USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 606 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 72 SER OG : rot -71:sc= 1.06 USER MOD Set 1.2: A 97 THR OG1 : rot -165:sc= 0.855 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 23 SER OG : rot 180:sc= -0.295 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -160:sc= -0.658 USER MOD Single : A 25 THR OG1 : rot -150:sc= -0.856 USER MOD Single : A 27 THR OG1 : rot -41:sc= 0.271 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -2.77 K(o=-2.8,f=-5!) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.385 USER MOD Single : A 38 TYR OH : rot 180:sc= -0.0196 USER MOD Single : A 39 TYR OH : rot 146:sc= 0.446 USER MOD Single : A 42 GLN : amide:sc= -3.27 K(o=-3.3,f=-11!) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.272 X(o=-0.27,f=-0.27) USER MOD Single : A 60 THR OG1 : rot 122:sc= 0.0178 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.0186 USER MOD Single : A 63 TYR OH : rot 180:sc= -0.179 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= -0.706 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -5.47! C(o=-5.5!,f=-25!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 108:sc= 1.07 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 16.817 -15.258 2.470 1.00 0.00 N ATOM 60 CA GLY A 7 16.575 -14.128 1.591 1.00 0.00 C ATOM 61 C GLY A 7 16.795 -12.798 2.284 1.00 0.00 C ATOM 62 O GLY A 7 17.378 -12.726 3.366 1.00 0.00 O ATOM 0 HA2 GLY A 7 17.234 -14.197 0.726 1.00 0.00 H new ATOM 0 HA3 GLY A 7 15.552 -14.175 1.217 1.00 0.00 H new ATOM 66 N PRO A 8 16.321 -11.713 1.653 1.00 0.00 N ATOM 67 CA PRO A 8 16.458 -10.358 2.197 1.00 0.00 C ATOM 68 C PRO A 8 15.591 -10.140 3.433 1.00 0.00 C ATOM 69 O PRO A 8 14.801 -11.005 3.811 1.00 0.00 O ATOM 70 CB PRO A 8 15.986 -9.465 1.048 1.00 0.00 C ATOM 71 CG PRO A 8 15.070 -10.328 0.249 1.00 0.00 C ATOM 72 CD PRO A 8 15.615 -11.725 0.361 1.00 0.00 C ATOM 0 HA PRO A 8 17.477 -10.151 2.524 1.00 0.00 H new ATOM 0 HB2 PRO A 8 15.471 -8.580 1.421 1.00 0.00 H new ATOM 0 HB3 PRO A 8 16.826 -9.116 0.447 1.00 0.00 H new ATOM 0 HG2 PRO A 8 14.051 -10.275 0.632 1.00 0.00 H new ATOM 0 HG3 PRO A 8 15.037 -10.004 -0.791 1.00 0.00 H new ATOM 0 HD2 PRO A 8 14.819 -12.469 0.345 1.00 0.00 H new ATOM 0 HD3 PRO A 8 16.289 -11.961 -0.463 1.00 0.00 H new ATOM 80 N LYS A 9 15.744 -8.977 4.058 1.00 0.00 N ATOM 81 CA LYS A 9 14.974 -8.643 5.250 1.00 0.00 C ATOM 82 C LYS A 9 13.828 -7.695 4.910 1.00 0.00 C ATOM 83 O LYS A 9 13.885 -6.937 3.941 1.00 0.00 O ATOM 84 CB LYS A 9 15.881 -8.006 6.306 1.00 0.00 C ATOM 85 CG LYS A 9 16.656 -9.017 7.132 1.00 0.00 C ATOM 86 CD LYS A 9 17.829 -9.591 6.355 1.00 0.00 C ATOM 87 CE LYS A 9 19.008 -8.630 6.335 1.00 0.00 C ATOM 88 NZ LYS A 9 19.804 -8.704 7.592 1.00 0.00 N ATOM 0 H LYS A 9 16.394 -8.250 3.759 1.00 0.00 H new ATOM 0 HA LYS A 9 14.552 -9.565 5.650 1.00 0.00 H new ATOM 0 HB2 LYS A 9 16.585 -7.337 5.812 1.00 0.00 H new ATOM 0 HB3 LYS A 9 15.274 -7.394 6.973 1.00 0.00 H new ATOM 0 HG2 LYS A 9 17.020 -8.542 8.043 1.00 0.00 H new ATOM 0 HG3 LYS A 9 15.991 -9.825 7.438 1.00 0.00 H new ATOM 0 HD2 LYS A 9 18.136 -10.536 6.803 1.00 0.00 H new ATOM 0 HD3 LYS A 9 17.518 -9.809 5.333 1.00 0.00 H new ATOM 0 HE2 LYS A 9 19.650 -8.860 5.484 1.00 0.00 H new ATOM 0 HE3 LYS A 9 18.645 -7.612 6.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 20.598 -8.035 7.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 19.198 -8.460 8.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 20.172 -9.669 7.714 1.00 0.00 H new ATOM 102 N PRO A 10 12.764 -7.735 5.725 1.00 0.00 N ATOM 103 CA PRO A 10 11.586 -6.884 5.532 1.00 0.00 C ATOM 104 C PRO A 10 11.877 -5.416 5.823 1.00 0.00 C ATOM 105 O PRO A 10 12.701 -5.078 6.673 1.00 0.00 O ATOM 106 CB PRO A 10 10.578 -7.440 6.540 1.00 0.00 C ATOM 107 CG PRO A 10 11.411 -8.075 7.599 1.00 0.00 C ATOM 108 CD PRO A 10 12.629 -8.613 6.900 1.00 0.00 C ATOM 0 HA PRO A 10 11.233 -6.904 4.501 1.00 0.00 H new ATOM 0 HB2 PRO A 10 9.952 -6.648 6.951 1.00 0.00 H new ATOM 0 HB3 PRO A 10 9.911 -8.165 6.074 1.00 0.00 H new ATOM 0 HG2 PRO A 10 11.688 -7.350 8.364 1.00 0.00 H new ATOM 0 HG3 PRO A 10 10.864 -8.874 8.100 1.00 0.00 H new ATOM 0 HD2 PRO A 10 13.511 -8.568 7.538 1.00 0.00 H new ATOM 0 HD3 PRO A 10 12.498 -9.655 6.610 1.00 0.00 H new ATOM 116 N PRO A 11 11.186 -4.520 5.103 1.00 0.00 N ATOM 117 CA PRO A 11 11.352 -3.073 5.267 1.00 0.00 C ATOM 118 C PRO A 11 10.801 -2.574 6.598 1.00 0.00 C ATOM 119 O PRO A 11 9.874 -3.161 7.156 1.00 0.00 O ATOM 120 CB PRO A 11 10.549 -2.489 4.103 1.00 0.00 C ATOM 121 CG PRO A 11 9.531 -3.529 3.785 1.00 0.00 C ATOM 122 CD PRO A 11 10.187 -4.852 4.072 1.00 0.00 C ATOM 0 HA PRO A 11 12.402 -2.781 5.267 1.00 0.00 H new ATOM 0 HB2 PRO A 11 10.078 -1.546 4.381 1.00 0.00 H new ATOM 0 HB3 PRO A 11 11.188 -2.285 3.244 1.00 0.00 H new ATOM 0 HG2 PRO A 11 8.636 -3.397 4.393 1.00 0.00 H new ATOM 0 HG3 PRO A 11 9.221 -3.465 2.742 1.00 0.00 H new ATOM 0 HD2 PRO A 11 9.468 -5.588 4.431 1.00 0.00 H new ATOM 0 HD3 PRO A 11 10.653 -5.271 3.180 1.00 0.00 H new ATOM 130 N ILE A 12 11.377 -1.488 7.102 1.00 0.00 N ATOM 131 CA ILE A 12 10.942 -0.909 8.367 1.00 0.00 C ATOM 132 C ILE A 12 10.472 0.529 8.181 1.00 0.00 C ATOM 133 O ILE A 12 10.624 1.109 7.105 1.00 0.00 O ATOM 134 CB ILE A 12 12.069 -0.938 9.416 1.00 0.00 C ATOM 135 CG1 ILE A 12 13.282 -0.151 8.915 1.00 0.00 C ATOM 136 CG2 ILE A 12 12.457 -2.373 9.738 1.00 0.00 C ATOM 137 CD1 ILE A 12 14.337 0.072 9.976 1.00 0.00 C ATOM 0 H ILE A 12 12.147 -0.991 6.653 1.00 0.00 H new ATOM 0 HA ILE A 12 10.110 -1.517 8.723 1.00 0.00 H new ATOM 0 HB ILE A 12 11.707 -0.467 10.330 1.00 0.00 H new ATOM 0 HG12 ILE A 12 13.729 -0.684 8.076 1.00 0.00 H new ATOM 0 HG13 ILE A 12 12.948 0.815 8.538 1.00 0.00 H new ATOM 0 HG21 ILE A 12 13.255 -2.376 10.481 1.00 0.00 H new ATOM 0 HG22 ILE A 12 11.591 -2.904 10.133 1.00 0.00 H new ATOM 0 HG23 ILE A 12 12.804 -2.868 8.831 1.00 0.00 H new ATOM 0 HD11 ILE A 12 15.167 0.636 9.551 1.00 0.00 H new ATOM 0 HD12 ILE A 12 13.906 0.631 10.806 1.00 0.00 H new ATOM 0 HD13 ILE A 12 14.699 -0.891 10.337 1.00 0.00 H new ATOM 149 N ASP A 13 9.902 1.101 9.236 1.00 0.00 N ATOM 150 CA ASP A 13 9.412 2.473 9.190 1.00 0.00 C ATOM 151 C ASP A 13 8.216 2.593 8.251 1.00 0.00 C ATOM 152 O ASP A 13 7.989 3.642 7.647 1.00 0.00 O ATOM 153 CB ASP A 13 10.525 3.421 8.741 1.00 0.00 C ATOM 154 CG ASP A 13 10.360 4.818 9.306 1.00 0.00 C ATOM 155 OD1 ASP A 13 9.776 4.949 10.403 1.00 0.00 O ATOM 156 OD2 ASP A 13 10.816 5.779 8.653 1.00 0.00 O ATOM 0 H ASP A 13 9.768 0.635 10.134 1.00 0.00 H new ATOM 0 HA ASP A 13 9.092 2.751 10.194 1.00 0.00 H new ATOM 0 HB2 ASP A 13 11.489 3.018 9.052 1.00 0.00 H new ATOM 0 HB3 ASP A 13 10.537 3.472 7.652 1.00 0.00 H new ATOM 161 N LEU A 14 7.454 1.511 8.130 1.00 0.00 N ATOM 162 CA LEU A 14 6.281 1.493 7.263 1.00 0.00 C ATOM 163 C LEU A 14 5.174 2.377 7.827 1.00 0.00 C ATOM 164 O LEU A 14 4.520 2.021 8.808 1.00 0.00 O ATOM 165 CB LEU A 14 5.770 0.062 7.092 1.00 0.00 C ATOM 166 CG LEU A 14 5.071 -0.248 5.768 1.00 0.00 C ATOM 167 CD1 LEU A 14 6.038 -0.091 4.605 1.00 0.00 C ATOM 168 CD2 LEU A 14 4.484 -1.652 5.791 1.00 0.00 C ATOM 0 H LEU A 14 7.628 0.634 8.622 1.00 0.00 H new ATOM 0 HA LEU A 14 6.574 1.886 6.289 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.614 -0.619 7.202 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.077 -0.154 7.905 1.00 0.00 H new ATOM 0 HG LEU A 14 4.256 0.463 5.634 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.523 -0.316 3.671 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.410 0.933 4.577 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.875 -0.778 4.732 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.990 -1.856 4.841 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.282 -2.378 5.948 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.758 -1.730 6.601 1.00 0.00 H new ATOM 180 N VAL A 15 4.966 3.530 7.200 1.00 0.00 N ATOM 181 CA VAL A 15 3.935 4.464 7.637 1.00 0.00 C ATOM 182 C VAL A 15 3.345 5.224 6.455 1.00 0.00 C ATOM 183 O VAL A 15 3.929 5.261 5.372 1.00 0.00 O ATOM 184 CB VAL A 15 4.490 5.475 8.658 1.00 0.00 C ATOM 185 CG1 VAL A 15 3.388 5.948 9.594 1.00 0.00 C ATOM 186 CG2 VAL A 15 5.641 4.864 9.441 1.00 0.00 C ATOM 0 H VAL A 15 5.498 3.840 6.387 1.00 0.00 H new ATOM 0 HA VAL A 15 3.152 3.872 8.111 1.00 0.00 H new ATOM 0 HB VAL A 15 4.870 6.341 8.116 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.799 6.662 10.308 1.00 0.00 H new ATOM 0 HG12 VAL A 15 2.599 6.428 9.014 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.975 5.094 10.131 1.00 0.00 H new ATOM 0 HG21 VAL A 15 6.021 5.592 10.158 1.00 0.00 H new ATOM 0 HG22 VAL A 15 5.290 3.980 9.973 1.00 0.00 H new ATOM 0 HG23 VAL A 15 6.439 4.581 8.754 1.00 0.00 H new ATOM 196 N VAL A 16 2.181 5.830 6.669 1.00 0.00 N ATOM 197 CA VAL A 16 1.511 6.591 5.622 1.00 0.00 C ATOM 198 C VAL A 16 1.686 8.091 5.834 1.00 0.00 C ATOM 199 O VAL A 16 1.707 8.571 6.969 1.00 0.00 O ATOM 200 CB VAL A 16 0.007 6.264 5.564 1.00 0.00 C ATOM 201 CG1 VAL A 16 -0.688 7.126 4.522 1.00 0.00 C ATOM 202 CG2 VAL A 16 -0.205 4.786 5.274 1.00 0.00 C ATOM 0 H VAL A 16 1.683 5.808 7.559 1.00 0.00 H new ATOM 0 HA VAL A 16 1.974 6.304 4.678 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.433 6.487 6.536 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -1.750 6.880 4.496 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.565 8.178 4.779 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.248 6.938 3.543 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.273 4.572 5.236 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.249 4.534 4.316 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.257 4.191 6.062 1.00 0.00 H new ATOM 212 N THR A 17 1.812 8.828 4.736 1.00 0.00 N ATOM 213 CA THR A 17 1.986 10.274 4.801 1.00 0.00 C ATOM 214 C THR A 17 0.886 10.995 4.031 1.00 0.00 C ATOM 215 O THR A 17 0.443 12.073 4.428 1.00 0.00 O ATOM 216 CB THR A 17 3.355 10.701 4.239 1.00 0.00 C ATOM 217 OG1 THR A 17 3.708 11.995 4.740 1.00 0.00 O ATOM 218 CG2 THR A 17 3.330 10.730 2.718 1.00 0.00 C ATOM 0 H THR A 17 1.797 8.447 3.790 1.00 0.00 H new ATOM 0 HA THR A 17 1.931 10.552 5.854 1.00 0.00 H new ATOM 0 HB THR A 17 4.099 9.972 4.561 1.00 0.00 H new ATOM 0 HG1 THR A 17 4.580 12.259 4.379 1.00 0.00 H new ATOM 0 HG21 THR A 17 4.307 11.034 2.344 1.00 0.00 H new ATOM 0 HG22 THR A 17 3.089 9.737 2.339 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.575 11.440 2.380 1.00 0.00 H new ATOM 226 N GLU A 18 0.448 10.394 2.929 1.00 0.00 N ATOM 227 CA GLU A 18 -0.601 10.981 2.104 1.00 0.00 C ATOM 228 C GLU A 18 -1.686 9.954 1.792 1.00 0.00 C ATOM 229 O GLU A 18 -1.400 8.775 1.583 1.00 0.00 O ATOM 230 CB GLU A 18 -0.011 11.528 0.803 1.00 0.00 C ATOM 231 CG GLU A 18 0.430 12.979 0.897 1.00 0.00 C ATOM 232 CD GLU A 18 -0.687 13.951 0.569 1.00 0.00 C ATOM 233 OE1 GLU A 18 -1.150 13.953 -0.591 1.00 0.00 O ATOM 234 OE2 GLU A 18 -1.097 14.709 1.472 1.00 0.00 O ATOM 0 H GLU A 18 0.803 9.501 2.587 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.052 11.801 2.663 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.844 10.915 0.516 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.752 11.433 0.010 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.796 13.179 1.904 1.00 0.00 H new ATOM 0 HG3 GLU A 18 1.264 13.146 0.215 1.00 0.00 H new ATOM 241 N THR A 19 -2.934 10.411 1.762 1.00 0.00 N ATOM 242 CA THR A 19 -4.062 9.534 1.478 1.00 0.00 C ATOM 243 C THR A 19 -5.087 10.227 0.586 1.00 0.00 C ATOM 244 O THR A 19 -5.677 11.237 0.970 1.00 0.00 O ATOM 245 CB THR A 19 -4.755 9.072 2.773 1.00 0.00 C ATOM 246 OG1 THR A 19 -4.672 10.099 3.767 1.00 0.00 O ATOM 247 CG2 THR A 19 -4.119 7.795 3.302 1.00 0.00 C ATOM 0 H THR A 19 -3.189 11.384 1.931 1.00 0.00 H new ATOM 0 HA THR A 19 -3.662 8.663 0.959 1.00 0.00 H new ATOM 0 HB THR A 19 -5.802 8.871 2.546 1.00 0.00 H new ATOM 0 HG1 THR A 19 -5.117 9.798 4.587 1.00 0.00 H new ATOM 0 HG21 THR A 19 -4.625 7.488 4.217 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.210 7.006 2.555 1.00 0.00 H new ATOM 0 HG23 THR A 19 -3.065 7.974 3.513 1.00 0.00 H new ATOM 255 N THR A 20 -5.294 9.679 -0.607 1.00 0.00 N ATOM 256 CA THR A 20 -6.247 10.245 -1.553 1.00 0.00 C ATOM 257 C THR A 20 -7.521 9.410 -1.616 1.00 0.00 C ATOM 258 O THR A 20 -7.545 8.263 -1.172 1.00 0.00 O ATOM 259 CB THR A 20 -5.643 10.345 -2.966 1.00 0.00 C ATOM 260 OG1 THR A 20 -4.221 10.491 -2.882 1.00 0.00 O ATOM 261 CG2 THR A 20 -6.234 11.524 -3.725 1.00 0.00 C ATOM 0 H THR A 20 -4.814 8.843 -0.941 1.00 0.00 H new ATOM 0 HA THR A 20 -6.489 11.246 -1.197 1.00 0.00 H new ATOM 0 HB THR A 20 -5.883 9.428 -3.505 1.00 0.00 H new ATOM 0 HG1 THR A 20 -3.880 10.865 -3.722 1.00 0.00 H new ATOM 0 HG21 THR A 20 -5.792 11.574 -4.720 1.00 0.00 H new ATOM 0 HG22 THR A 20 -7.313 11.396 -3.813 1.00 0.00 H new ATOM 0 HG23 THR A 20 -6.021 12.447 -3.186 1.00 0.00 H new ATOM 269 N ALA A 21 -8.578 9.994 -2.170 1.00 0.00 N ATOM 270 CA ALA A 21 -9.856 9.303 -2.294 1.00 0.00 C ATOM 271 C ALA A 21 -9.714 8.031 -3.123 1.00 0.00 C ATOM 272 O ALA A 21 -10.422 7.048 -2.898 1.00 0.00 O ATOM 273 CB ALA A 21 -10.897 10.224 -2.911 1.00 0.00 C ATOM 0 H ALA A 21 -8.575 10.944 -2.540 1.00 0.00 H new ATOM 0 HA ALA A 21 -10.186 9.019 -1.295 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.846 9.694 -2.997 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -11.027 11.102 -2.278 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.565 10.537 -3.901 1.00 0.00 H new ATOM 279 N THR A 22 -8.795 8.055 -4.083 1.00 0.00 N ATOM 280 CA THR A 22 -8.561 6.905 -4.947 1.00 0.00 C ATOM 281 C THR A 22 -7.076 6.572 -5.030 1.00 0.00 C ATOM 282 O THR A 22 -6.636 5.882 -5.949 1.00 0.00 O ATOM 283 CB THR A 22 -9.101 7.151 -6.368 1.00 0.00 C ATOM 284 OG1 THR A 22 -8.535 8.352 -6.906 1.00 0.00 O ATOM 285 CG2 THR A 22 -10.618 7.259 -6.360 1.00 0.00 C ATOM 0 H THR A 22 -8.200 8.859 -4.282 1.00 0.00 H new ATOM 0 HA THR A 22 -9.094 6.064 -4.504 1.00 0.00 H new ATOM 0 HB THR A 22 -8.817 6.304 -6.992 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.882 8.501 -7.810 1.00 0.00 H new ATOM 0 HG21 THR A 22 -10.976 7.433 -7.375 1.00 0.00 H new ATOM 0 HG22 THR A 22 -11.047 6.333 -5.978 1.00 0.00 H new ATOM 0 HG23 THR A 22 -10.920 8.089 -5.722 1.00 0.00 H new ATOM 293 N SER A 23 -6.309 7.066 -4.064 1.00 0.00 N ATOM 294 CA SER A 23 -4.871 6.823 -4.030 1.00 0.00 C ATOM 295 C SER A 23 -4.342 6.896 -2.601 1.00 0.00 C ATOM 296 O SER A 23 -5.055 7.297 -1.682 1.00 0.00 O ATOM 297 CB SER A 23 -4.140 7.840 -4.909 1.00 0.00 C ATOM 298 OG SER A 23 -4.798 8.005 -6.153 1.00 0.00 O ATOM 0 H SER A 23 -6.659 7.637 -3.294 1.00 0.00 H new ATOM 0 HA SER A 23 -4.687 5.821 -4.417 1.00 0.00 H new ATOM 0 HB2 SER A 23 -4.085 8.799 -4.393 1.00 0.00 H new ATOM 0 HB3 SER A 23 -3.115 7.510 -5.077 1.00 0.00 H new ATOM 0 HG SER A 23 -4.312 8.661 -6.696 1.00 0.00 H new ATOM 304 N VAL A 24 -3.084 6.504 -2.422 1.00 0.00 N ATOM 305 CA VAL A 24 -2.457 6.524 -1.106 1.00 0.00 C ATOM 306 C VAL A 24 -0.937 6.504 -1.221 1.00 0.00 C ATOM 307 O VAL A 24 -0.383 5.984 -2.191 1.00 0.00 O ATOM 308 CB VAL A 24 -2.912 5.329 -0.249 1.00 0.00 C ATOM 309 CG1 VAL A 24 -2.888 4.046 -1.065 1.00 0.00 C ATOM 310 CG2 VAL A 24 -2.038 5.198 0.990 1.00 0.00 C ATOM 0 H VAL A 24 -2.479 6.169 -3.172 1.00 0.00 H new ATOM 0 HA VAL A 24 -2.769 7.449 -0.621 1.00 0.00 H new ATOM 0 HB VAL A 24 -3.938 5.507 0.074 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -3.213 3.213 -0.442 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -3.559 4.145 -1.918 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -1.875 3.860 -1.421 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.374 4.348 1.584 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -1.002 5.044 0.690 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.111 6.108 1.585 1.00 0.00 H new ATOM 320 N THR A 25 -0.265 7.073 -0.225 1.00 0.00 N ATOM 321 CA THR A 25 1.191 7.121 -0.215 1.00 0.00 C ATOM 322 C THR A 25 1.760 6.298 0.935 1.00 0.00 C ATOM 323 O THR A 25 1.175 6.237 2.018 1.00 0.00 O ATOM 324 CB THR A 25 1.705 8.569 -0.098 1.00 0.00 C ATOM 325 OG1 THR A 25 1.084 9.391 -1.092 1.00 0.00 O ATOM 326 CG2 THR A 25 3.216 8.622 -0.261 1.00 0.00 C ATOM 0 H THR A 25 -0.707 7.507 0.585 1.00 0.00 H new ATOM 0 HA THR A 25 1.528 6.699 -1.162 1.00 0.00 H new ATOM 0 HB THR A 25 1.449 8.943 0.894 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.694 10.115 -1.345 1.00 0.00 H new ATOM 0 HG21 THR A 25 3.555 9.654 -0.175 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.687 8.019 0.515 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.490 8.231 -1.241 1.00 0.00 H new ATOM 334 N LEU A 26 2.904 5.666 0.695 1.00 0.00 N ATOM 335 CA LEU A 26 3.553 4.846 1.712 1.00 0.00 C ATOM 336 C LEU A 26 5.037 5.181 1.816 1.00 0.00 C ATOM 337 O LEU A 26 5.716 5.364 0.804 1.00 0.00 O ATOM 338 CB LEU A 26 3.374 3.362 1.389 1.00 0.00 C ATOM 339 CG LEU A 26 3.571 2.392 2.555 1.00 0.00 C ATOM 340 CD1 LEU A 26 2.421 2.507 3.544 1.00 0.00 C ATOM 341 CD2 LEU A 26 3.698 0.964 2.046 1.00 0.00 C ATOM 0 H LEU A 26 3.401 5.706 -0.195 1.00 0.00 H new ATOM 0 HA LEU A 26 3.083 5.061 2.672 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.371 3.217 0.987 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.076 3.096 0.599 1.00 0.00 H new ATOM 0 HG LEU A 26 4.495 2.656 3.070 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.578 1.810 4.367 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.376 3.524 3.934 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.484 2.270 3.041 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.838 0.288 2.890 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.792 0.688 1.506 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.555 0.891 1.377 1.00 0.00 H new ATOM 353 N THR A 27 5.538 5.257 3.045 1.00 0.00 N ATOM 354 CA THR A 27 6.942 5.568 3.281 1.00 0.00 C ATOM 355 C THR A 27 7.599 4.509 4.159 1.00 0.00 C ATOM 356 O THR A 27 6.977 3.978 5.078 1.00 0.00 O ATOM 357 CB THR A 27 7.107 6.947 3.948 1.00 0.00 C ATOM 358 OG1 THR A 27 6.516 6.934 5.252 1.00 0.00 O ATOM 359 CG2 THR A 27 6.464 8.037 3.105 1.00 0.00 C ATOM 0 H THR A 27 4.991 5.107 3.893 1.00 0.00 H new ATOM 0 HA THR A 27 7.431 5.583 2.307 1.00 0.00 H new ATOM 0 HB THR A 27 8.173 7.159 4.035 1.00 0.00 H new ATOM 0 HG1 THR A 27 5.667 6.446 5.221 1.00 0.00 H new ATOM 0 HG21 THR A 27 6.594 9.001 3.597 1.00 0.00 H new ATOM 0 HG22 THR A 27 6.936 8.064 2.123 1.00 0.00 H new ATOM 0 HG23 THR A 27 5.400 7.828 2.990 1.00 0.00 H new ATOM 367 N TRP A 28 8.860 4.208 3.869 1.00 0.00 N ATOM 368 CA TRP A 28 9.603 3.212 4.634 1.00 0.00 C ATOM 369 C TRP A 28 11.098 3.313 4.352 1.00 0.00 C ATOM 370 O TRP A 28 11.524 4.067 3.477 1.00 0.00 O ATOM 371 CB TRP A 28 9.102 1.806 4.300 1.00 0.00 C ATOM 372 CG TRP A 28 9.495 1.345 2.929 1.00 0.00 C ATOM 373 CD1 TRP A 28 10.675 0.760 2.568 1.00 0.00 C ATOM 374 CD2 TRP A 28 8.707 1.434 1.737 1.00 0.00 C ATOM 375 NE1 TRP A 28 10.668 0.479 1.223 1.00 0.00 N ATOM 376 CE2 TRP A 28 9.472 0.882 0.690 1.00 0.00 C ATOM 377 CE3 TRP A 28 7.430 1.923 1.451 1.00 0.00 C ATOM 378 CZ2 TRP A 28 9.001 0.809 -0.618 1.00 0.00 C ATOM 379 CZ3 TRP A 28 6.963 1.850 0.153 1.00 0.00 C ATOM 380 CH2 TRP A 28 7.747 1.296 -0.868 1.00 0.00 C ATOM 0 H TRP A 28 9.389 4.639 3.111 1.00 0.00 H new ATOM 0 HA TRP A 28 9.439 3.407 5.694 1.00 0.00 H new ATOM 0 HB2 TRP A 28 9.492 1.104 5.037 1.00 0.00 H new ATOM 0 HB3 TRP A 28 8.015 1.786 4.385 1.00 0.00 H new ATOM 0 HD1 TRP A 28 11.493 0.549 3.241 1.00 0.00 H new ATOM 0 HE1 TRP A 28 11.430 0.041 0.705 1.00 0.00 H new ATOM 0 HE3 TRP A 28 6.818 2.351 2.231 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 9.604 0.383 -1.407 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 5.977 2.226 -0.079 1.00 0.00 H new ATOM 0 HH2 TRP A 28 7.353 1.253 -1.873 1.00 0.00 H new ATOM 391 N ASP A 29 11.889 2.550 5.097 1.00 0.00 N ATOM 392 CA ASP A 29 13.337 2.553 4.926 1.00 0.00 C ATOM 393 C ASP A 29 13.823 1.211 4.387 1.00 0.00 C ATOM 394 O ASP A 29 13.202 0.175 4.622 1.00 0.00 O ATOM 395 CB ASP A 29 14.028 2.863 6.255 1.00 0.00 C ATOM 396 CG ASP A 29 15.374 3.535 6.065 1.00 0.00 C ATOM 397 OD1 ASP A 29 15.395 4.717 5.663 1.00 0.00 O ATOM 398 OD2 ASP A 29 16.405 2.879 6.318 1.00 0.00 O ATOM 0 H ASP A 29 11.552 1.921 5.826 1.00 0.00 H new ATOM 0 HA ASP A 29 13.591 3.328 4.203 1.00 0.00 H new ATOM 0 HB2 ASP A 29 13.385 3.508 6.854 1.00 0.00 H new ATOM 0 HB3 ASP A 29 14.163 1.938 6.815 1.00 0.00 H new ATOM 403 N SER A 30 14.937 1.239 3.661 1.00 0.00 N ATOM 404 CA SER A 30 15.504 0.026 3.084 1.00 0.00 C ATOM 405 C SER A 30 15.516 -1.107 4.105 1.00 0.00 C ATOM 406 O SER A 30 15.049 -2.211 3.830 1.00 0.00 O ATOM 407 CB SER A 30 16.924 0.291 2.581 1.00 0.00 C ATOM 408 OG SER A 30 16.908 1.053 1.386 1.00 0.00 O ATOM 0 H SER A 30 15.464 2.088 3.459 1.00 0.00 H new ATOM 0 HA SER A 30 14.879 -0.274 2.243 1.00 0.00 H new ATOM 0 HB2 SER A 30 17.491 0.821 3.346 1.00 0.00 H new ATOM 0 HB3 SER A 30 17.434 -0.656 2.405 1.00 0.00 H new ATOM 0 HG SER A 30 17.828 1.210 1.086 1.00 0.00 H new ATOM 414 N GLY A 31 16.056 -0.824 5.287 1.00 0.00 N ATOM 415 CA GLY A 31 16.121 -1.829 6.332 1.00 0.00 C ATOM 416 C GLY A 31 17.272 -2.796 6.137 1.00 0.00 C ATOM 417 O GLY A 31 17.671 -3.492 7.069 1.00 0.00 O ATOM 0 H GLY A 31 16.449 0.083 5.539 1.00 0.00 H new ATOM 0 HA2 GLY A 31 16.224 -1.337 7.299 1.00 0.00 H new ATOM 0 HA3 GLY A 31 15.184 -2.385 6.356 1.00 0.00 H new ATOM 421 N ASN A 32 17.806 -2.840 4.920 1.00 0.00 N ATOM 422 CA ASN A 32 18.916 -3.731 4.605 1.00 0.00 C ATOM 423 C ASN A 32 20.176 -2.935 4.277 1.00 0.00 C ATOM 424 O ASN A 32 20.103 -1.766 3.896 1.00 0.00 O ATOM 425 CB ASN A 32 18.552 -4.637 3.427 1.00 0.00 C ATOM 426 CG ASN A 32 17.768 -5.861 3.861 1.00 0.00 C ATOM 427 OD1 ASN A 32 18.338 -6.927 4.093 1.00 0.00 O ATOM 428 ND2 ASN A 32 16.453 -5.712 3.971 1.00 0.00 N ATOM 0 H ASN A 32 17.488 -2.269 4.137 1.00 0.00 H new ATOM 0 HA ASN A 32 19.114 -4.348 5.482 1.00 0.00 H new ATOM 0 HB2 ASN A 32 17.965 -4.070 2.704 1.00 0.00 H new ATOM 0 HB3 ASN A 32 19.464 -4.953 2.920 1.00 0.00 H new ATOM 0 HD21 ASN A 32 15.873 -6.500 4.258 1.00 0.00 H new ATOM 0 HD22 ASN A 32 16.023 -4.809 3.768 1.00 0.00 H new ATOM 475 N VAL A 36 19.622 -4.178 -2.472 1.00 0.00 N ATOM 476 CA VAL A 36 18.563 -5.058 -2.950 1.00 0.00 C ATOM 477 C VAL A 36 18.108 -4.661 -4.350 1.00 0.00 C ATOM 478 O VAL A 36 18.340 -3.536 -4.795 1.00 0.00 O ATOM 479 CB VAL A 36 17.348 -5.040 -2.004 1.00 0.00 C ATOM 480 CG1 VAL A 36 16.370 -6.147 -2.369 1.00 0.00 C ATOM 481 CG2 VAL A 36 17.799 -5.172 -0.557 1.00 0.00 C ATOM 0 HA VAL A 36 18.978 -6.065 -2.978 1.00 0.00 H new ATOM 0 HB VAL A 36 16.836 -4.084 -2.116 1.00 0.00 H new ATOM 0 HG11 VAL A 36 15.518 -6.118 -1.690 1.00 0.00 H new ATOM 0 HG12 VAL A 36 16.023 -6.003 -3.392 1.00 0.00 H new ATOM 0 HG13 VAL A 36 16.867 -7.113 -2.287 1.00 0.00 H new ATOM 0 HG21 VAL A 36 16.928 -5.157 0.098 1.00 0.00 H new ATOM 0 HG22 VAL A 36 18.335 -6.112 -0.427 1.00 0.00 H new ATOM 0 HG23 VAL A 36 18.457 -4.341 -0.304 1.00 0.00 H new ATOM 491 N THR A 37 17.458 -5.592 -5.042 1.00 0.00 N ATOM 492 CA THR A 37 16.971 -5.340 -6.392 1.00 0.00 C ATOM 493 C THR A 37 15.794 -4.372 -6.380 1.00 0.00 C ATOM 494 O THR A 37 15.876 -3.272 -6.928 1.00 0.00 O ATOM 495 CB THR A 37 16.540 -6.646 -7.087 1.00 0.00 C ATOM 496 OG1 THR A 37 17.611 -7.596 -7.052 1.00 0.00 O ATOM 497 CG2 THR A 37 16.135 -6.383 -8.530 1.00 0.00 C ATOM 0 H THR A 37 17.257 -6.528 -4.689 1.00 0.00 H new ATOM 0 HA THR A 37 17.797 -4.897 -6.948 1.00 0.00 H new ATOM 0 HB THR A 37 15.680 -7.049 -6.553 1.00 0.00 H new ATOM 0 HG1 THR A 37 17.329 -8.424 -7.494 1.00 0.00 H new ATOM 0 HG21 THR A 37 15.835 -7.319 -9.000 1.00 0.00 H new ATOM 0 HG22 THR A 37 15.300 -5.682 -8.552 1.00 0.00 H new ATOM 0 HG23 THR A 37 16.979 -5.959 -9.073 1.00 0.00 H new ATOM 505 N TYR A 38 14.699 -4.786 -5.752 1.00 0.00 N ATOM 506 CA TYR A 38 13.504 -3.956 -5.670 1.00 0.00 C ATOM 507 C TYR A 38 12.629 -4.375 -4.492 1.00 0.00 C ATOM 508 O TYR A 38 12.849 -5.421 -3.882 1.00 0.00 O ATOM 509 CB TYR A 38 12.705 -4.046 -6.971 1.00 0.00 C ATOM 510 CG TYR A 38 11.881 -5.308 -7.089 1.00 0.00 C ATOM 511 CD1 TYR A 38 12.473 -6.519 -7.425 1.00 0.00 C ATOM 512 CD2 TYR A 38 10.509 -5.289 -6.864 1.00 0.00 C ATOM 513 CE1 TYR A 38 11.723 -7.674 -7.535 1.00 0.00 C ATOM 514 CE2 TYR A 38 9.752 -6.440 -6.970 1.00 0.00 C ATOM 515 CZ TYR A 38 10.364 -7.630 -7.306 1.00 0.00 C ATOM 516 OH TYR A 38 9.614 -8.779 -7.413 1.00 0.00 O ATOM 0 H TYR A 38 14.615 -5.692 -5.292 1.00 0.00 H new ATOM 0 HA TYR A 38 13.819 -2.924 -5.516 1.00 0.00 H new ATOM 0 HB2 TYR A 38 12.044 -3.182 -7.042 1.00 0.00 H new ATOM 0 HB3 TYR A 38 13.393 -3.991 -7.815 1.00 0.00 H new ATOM 0 HD1 TYR A 38 13.537 -6.558 -7.603 1.00 0.00 H new ATOM 0 HD2 TYR A 38 10.027 -4.359 -6.602 1.00 0.00 H new ATOM 0 HE1 TYR A 38 12.199 -8.607 -7.799 1.00 0.00 H new ATOM 0 HE2 TYR A 38 8.687 -6.408 -6.791 1.00 0.00 H new ATOM 0 HH TYR A 38 8.675 -8.576 -7.219 1.00 0.00 H new ATOM 526 N TYR A 39 11.636 -3.550 -4.179 1.00 0.00 N ATOM 527 CA TYR A 39 10.727 -3.833 -3.074 1.00 0.00 C ATOM 528 C TYR A 39 9.289 -3.951 -3.568 1.00 0.00 C ATOM 529 O TYR A 39 8.682 -2.967 -3.990 1.00 0.00 O ATOM 530 CB TYR A 39 10.825 -2.736 -2.013 1.00 0.00 C ATOM 531 CG TYR A 39 12.114 -2.772 -1.222 1.00 0.00 C ATOM 532 CD1 TYR A 39 13.318 -2.390 -1.801 1.00 0.00 C ATOM 533 CD2 TYR A 39 12.127 -3.188 0.103 1.00 0.00 C ATOM 534 CE1 TYR A 39 14.497 -2.422 -1.082 1.00 0.00 C ATOM 535 CE2 TYR A 39 13.302 -3.222 0.830 1.00 0.00 C ATOM 536 CZ TYR A 39 14.484 -2.838 0.233 1.00 0.00 C ATOM 537 OH TYR A 39 15.656 -2.872 0.952 1.00 0.00 O ATOM 0 H TYR A 39 11.440 -2.680 -4.674 1.00 0.00 H new ATOM 0 HA TYR A 39 11.019 -4.785 -2.631 1.00 0.00 H new ATOM 0 HB2 TYR A 39 10.733 -1.764 -2.498 1.00 0.00 H new ATOM 0 HB3 TYR A 39 9.984 -2.830 -1.326 1.00 0.00 H new ATOM 0 HD1 TYR A 39 13.332 -2.063 -2.830 1.00 0.00 H new ATOM 0 HD2 TYR A 39 11.203 -3.490 0.573 1.00 0.00 H new ATOM 0 HE1 TYR A 39 15.425 -2.123 -1.547 1.00 0.00 H new ATOM 0 HE2 TYR A 39 13.294 -3.547 1.860 1.00 0.00 H new ATOM 0 HH TYR A 39 15.472 -2.649 1.888 1.00 0.00 H new ATOM 547 N GLY A 40 8.748 -5.164 -3.511 1.00 0.00 N ATOM 548 CA GLY A 40 7.385 -5.391 -3.955 1.00 0.00 C ATOM 549 C GLY A 40 6.363 -4.747 -3.039 1.00 0.00 C ATOM 550 O GLY A 40 6.713 -4.210 -1.987 1.00 0.00 O ATOM 0 H GLY A 40 9.230 -5.994 -3.165 1.00 0.00 H new ATOM 0 HA2 GLY A 40 7.264 -4.996 -4.964 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.197 -6.463 -4.008 1.00 0.00 H new ATOM 554 N ILE A 41 5.097 -4.799 -3.438 1.00 0.00 N ATOM 555 CA ILE A 41 4.021 -4.217 -2.646 1.00 0.00 C ATOM 556 C ILE A 41 2.748 -5.049 -2.751 1.00 0.00 C ATOM 557 O ILE A 41 2.355 -5.464 -3.840 1.00 0.00 O ATOM 558 CB ILE A 41 3.715 -2.773 -3.087 1.00 0.00 C ATOM 559 CG1 ILE A 41 4.958 -1.894 -2.930 1.00 0.00 C ATOM 560 CG2 ILE A 41 2.555 -2.208 -2.282 1.00 0.00 C ATOM 561 CD1 ILE A 41 4.783 -0.496 -3.480 1.00 0.00 C ATOM 0 H ILE A 41 4.791 -5.239 -4.306 1.00 0.00 H new ATOM 0 HA ILE A 41 4.361 -4.208 -1.611 1.00 0.00 H new ATOM 0 HB ILE A 41 3.431 -2.783 -4.139 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.217 -1.830 -1.873 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.797 -2.372 -3.435 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.351 -1.187 -2.605 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.669 -2.823 -2.440 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.813 -2.209 -1.223 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.703 0.070 -3.334 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.555 -0.550 -4.544 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.965 0.001 -2.958 1.00 0.00 H new ATOM 573 N GLN A 42 2.107 -5.287 -1.611 1.00 0.00 N ATOM 574 CA GLN A 42 0.877 -6.069 -1.575 1.00 0.00 C ATOM 575 C GLN A 42 -0.195 -5.359 -0.756 1.00 0.00 C ATOM 576 O GLN A 42 0.013 -5.039 0.415 1.00 0.00 O ATOM 577 CB GLN A 42 1.147 -7.456 -0.991 1.00 0.00 C ATOM 578 CG GLN A 42 1.650 -8.461 -2.015 1.00 0.00 C ATOM 579 CD GLN A 42 3.156 -8.421 -2.180 1.00 0.00 C ATOM 580 OE1 GLN A 42 3.790 -7.390 -1.951 1.00 0.00 O ATOM 581 NE2 GLN A 42 3.738 -9.545 -2.580 1.00 0.00 N ATOM 0 H GLN A 42 2.419 -4.950 -0.700 1.00 0.00 H new ATOM 0 HA GLN A 42 0.515 -6.177 -2.597 1.00 0.00 H new ATOM 0 HB2 GLN A 42 1.881 -7.367 -0.191 1.00 0.00 H new ATOM 0 HB3 GLN A 42 0.230 -7.836 -0.541 1.00 0.00 H new ATOM 0 HG2 GLN A 42 1.348 -9.464 -1.713 1.00 0.00 H new ATOM 0 HG3 GLN A 42 1.177 -8.262 -2.977 1.00 0.00 H new ATOM 0 HE21 GLN A 42 3.174 -10.376 -2.758 1.00 0.00 H new ATOM 0 HE22 GLN A 42 4.749 -9.578 -2.709 1.00 0.00 H new ATOM 590 N TYR A 43 -1.343 -5.115 -1.378 1.00 0.00 N ATOM 591 CA TYR A 43 -2.448 -4.440 -0.707 1.00 0.00 C ATOM 592 C TYR A 43 -3.783 -5.079 -1.079 1.00 0.00 C ATOM 593 O TYR A 43 -3.937 -5.632 -2.168 1.00 0.00 O ATOM 594 CB TYR A 43 -2.462 -2.954 -1.072 1.00 0.00 C ATOM 595 CG TYR A 43 -2.609 -2.696 -2.554 1.00 0.00 C ATOM 596 CD1 TYR A 43 -1.507 -2.743 -3.399 1.00 0.00 C ATOM 597 CD2 TYR A 43 -3.848 -2.402 -3.109 1.00 0.00 C ATOM 598 CE1 TYR A 43 -1.635 -2.507 -4.754 1.00 0.00 C ATOM 599 CE2 TYR A 43 -3.986 -2.166 -4.463 1.00 0.00 C ATOM 600 CZ TYR A 43 -2.877 -2.219 -5.282 1.00 0.00 C ATOM 601 OH TYR A 43 -3.010 -1.983 -6.631 1.00 0.00 O ATOM 0 H TYR A 43 -1.533 -5.375 -2.346 1.00 0.00 H new ATOM 0 HA TYR A 43 -2.304 -4.542 0.369 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -3.281 -2.466 -0.544 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -1.538 -2.494 -0.721 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -0.533 -2.968 -2.989 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -4.718 -2.357 -2.471 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -0.768 -2.548 -5.397 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -4.957 -1.941 -4.878 1.00 0.00 H new ATOM 0 HH TYR A 43 -3.949 -1.797 -6.839 1.00 0.00 H new ATOM 611 N ARG A 44 -4.745 -4.997 -0.165 1.00 0.00 N ATOM 612 CA ARG A 44 -6.067 -5.567 -0.395 1.00 0.00 C ATOM 613 C ARG A 44 -7.090 -4.974 0.569 1.00 0.00 C ATOM 614 O ARG A 44 -6.797 -4.758 1.744 1.00 0.00 O ATOM 615 CB ARG A 44 -6.024 -7.088 -0.237 1.00 0.00 C ATOM 616 CG ARG A 44 -7.396 -7.742 -0.268 1.00 0.00 C ATOM 617 CD ARG A 44 -7.792 -8.140 -1.682 1.00 0.00 C ATOM 618 NE ARG A 44 -7.960 -6.978 -2.550 1.00 0.00 N ATOM 619 CZ ARG A 44 -8.136 -7.062 -3.864 1.00 0.00 C ATOM 620 NH1 ARG A 44 -8.165 -8.246 -4.458 1.00 0.00 N ATOM 621 NH2 ARG A 44 -8.282 -5.958 -4.587 1.00 0.00 N ATOM 0 H ARG A 44 -4.633 -4.542 0.741 1.00 0.00 H new ATOM 0 HA ARG A 44 -6.369 -5.322 -1.413 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -5.411 -7.510 -1.033 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -5.535 -7.333 0.706 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -7.394 -8.624 0.372 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -8.137 -7.054 0.139 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -7.030 -8.798 -2.100 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -8.722 -8.708 -1.652 1.00 0.00 H new ATOM 0 HE ARG A 44 -7.941 -6.051 -2.124 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -8.052 -9.096 -3.906 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -8.300 -8.307 -5.467 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -8.259 -5.045 -4.134 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -8.417 -6.023 -5.596 1.00 0.00 H new ATOM 635 N ALA A 45 -8.290 -4.712 0.062 1.00 0.00 N ATOM 636 CA ALA A 45 -9.357 -4.144 0.878 1.00 0.00 C ATOM 637 C ALA A 45 -9.550 -4.944 2.162 1.00 0.00 C ATOM 638 O ALA A 45 -9.998 -6.090 2.129 1.00 0.00 O ATOM 639 CB ALA A 45 -10.655 -4.091 0.086 1.00 0.00 C ATOM 0 H ALA A 45 -8.548 -4.884 -0.910 1.00 0.00 H new ATOM 0 HA ALA A 45 -9.071 -3.129 1.153 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -11.443 -3.665 0.707 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -10.516 -3.471 -0.800 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -10.937 -5.099 -0.218 1.00 0.00 H new ATOM 732 N GLN A 53 -3.128 -7.889 -4.109 1.00 0.00 N ATOM 733 CA GLN A 53 -2.534 -7.431 -5.360 1.00 0.00 C ATOM 734 C GLN A 53 -1.029 -7.676 -5.369 1.00 0.00 C ATOM 735 O GLN A 53 -0.470 -8.200 -4.406 1.00 0.00 O ATOM 736 CB GLN A 53 -2.823 -5.944 -5.572 1.00 0.00 C ATOM 737 CG GLN A 53 -4.278 -5.646 -5.892 1.00 0.00 C ATOM 738 CD GLN A 53 -4.798 -6.460 -7.060 1.00 0.00 C ATOM 739 OE1 GLN A 53 -5.609 -7.369 -6.886 1.00 0.00 O ATOM 740 NE2 GLN A 53 -4.331 -6.137 -8.261 1.00 0.00 N ATOM 0 HA GLN A 53 -2.981 -8.000 -6.175 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -2.538 -5.396 -4.674 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -2.198 -5.573 -6.384 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -4.888 -5.849 -5.012 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -4.386 -4.585 -6.117 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -3.659 -5.376 -8.359 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -4.644 -6.650 -9.085 1.00 0.00 H new ATOM 749 N GLU A 54 -0.379 -7.294 -6.464 1.00 0.00 N ATOM 750 CA GLU A 54 1.062 -7.473 -6.598 1.00 0.00 C ATOM 751 C GLU A 54 1.668 -6.379 -7.472 1.00 0.00 C ATOM 752 O GLU A 54 1.203 -6.129 -8.585 1.00 0.00 O ATOM 753 CB GLU A 54 1.374 -8.848 -7.193 1.00 0.00 C ATOM 754 CG GLU A 54 2.856 -9.091 -7.421 1.00 0.00 C ATOM 755 CD GLU A 54 3.136 -10.441 -8.052 1.00 0.00 C ATOM 756 OE1 GLU A 54 2.622 -10.695 -9.161 1.00 0.00 O ATOM 757 OE2 GLU A 54 3.869 -11.243 -7.436 1.00 0.00 O ATOM 0 H GLU A 54 -0.827 -6.859 -7.270 1.00 0.00 H new ATOM 0 HA GLU A 54 1.504 -7.406 -5.604 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.986 -9.619 -6.527 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.847 -8.952 -8.142 1.00 0.00 H new ATOM 0 HG2 GLU A 54 3.255 -8.305 -8.062 1.00 0.00 H new ATOM 0 HG3 GLU A 54 3.382 -9.023 -6.469 1.00 0.00 H new ATOM 764 N VAL A 55 2.708 -5.729 -6.960 1.00 0.00 N ATOM 765 CA VAL A 55 3.379 -4.662 -7.693 1.00 0.00 C ATOM 766 C VAL A 55 4.894 -4.808 -7.613 1.00 0.00 C ATOM 767 O VAL A 55 5.467 -4.854 -6.524 1.00 0.00 O ATOM 768 CB VAL A 55 2.979 -3.275 -7.157 1.00 0.00 C ATOM 769 CG1 VAL A 55 3.696 -2.177 -7.926 1.00 0.00 C ATOM 770 CG2 VAL A 55 1.470 -3.090 -7.230 1.00 0.00 C ATOM 0 H VAL A 55 3.104 -5.923 -6.040 1.00 0.00 H new ATOM 0 HA VAL A 55 3.063 -4.746 -8.733 1.00 0.00 H new ATOM 0 HB VAL A 55 3.280 -3.209 -6.112 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.400 -1.204 -7.533 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.773 -2.300 -7.817 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.429 -2.238 -8.981 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.205 -2.104 -6.847 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.142 -3.177 -8.266 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.980 -3.856 -6.629 1.00 0.00 H new ATOM 780 N ASP A 56 5.538 -4.881 -8.773 1.00 0.00 N ATOM 781 CA ASP A 56 6.988 -5.020 -8.834 1.00 0.00 C ATOM 782 C ASP A 56 7.609 -3.886 -9.644 1.00 0.00 C ATOM 783 O ASP A 56 7.073 -3.479 -10.674 1.00 0.00 O ATOM 784 CB ASP A 56 7.367 -6.369 -9.448 1.00 0.00 C ATOM 785 CG ASP A 56 6.907 -6.500 -10.887 1.00 0.00 C ATOM 786 OD1 ASP A 56 5.684 -6.619 -11.111 1.00 0.00 O ATOM 787 OD2 ASP A 56 7.770 -6.481 -11.789 1.00 0.00 O ATOM 0 H ASP A 56 5.079 -4.846 -9.683 1.00 0.00 H new ATOM 0 HA ASP A 56 7.376 -4.971 -7.817 1.00 0.00 H new ATOM 0 HB2 ASP A 56 8.449 -6.494 -9.403 1.00 0.00 H new ATOM 0 HB3 ASP A 56 6.928 -7.171 -8.855 1.00 0.00 H new ATOM 792 N GLY A 57 8.744 -3.380 -9.171 1.00 0.00 N ATOM 793 CA GLY A 57 9.419 -2.298 -9.863 1.00 0.00 C ATOM 794 C GLY A 57 9.491 -1.033 -9.030 1.00 0.00 C ATOM 795 O GLY A 57 9.302 0.069 -9.545 1.00 0.00 O ATOM 0 H GLY A 57 9.208 -3.700 -8.321 1.00 0.00 H new ATOM 0 HA2 GLY A 57 10.428 -2.613 -10.127 1.00 0.00 H new ATOM 0 HA3 GLY A 57 8.897 -2.086 -10.796 1.00 0.00 H new ATOM 799 N VAL A 58 9.762 -1.191 -7.739 1.00 0.00 N ATOM 800 CA VAL A 58 9.858 -0.053 -6.833 1.00 0.00 C ATOM 801 C VAL A 58 11.276 0.105 -6.297 1.00 0.00 C ATOM 802 O VAL A 58 11.592 -0.358 -5.201 1.00 0.00 O ATOM 803 CB VAL A 58 8.885 -0.197 -5.647 1.00 0.00 C ATOM 804 CG1 VAL A 58 8.828 1.093 -4.843 1.00 0.00 C ATOM 805 CG2 VAL A 58 7.501 -0.591 -6.138 1.00 0.00 C ATOM 0 H VAL A 58 9.919 -2.097 -7.297 1.00 0.00 H new ATOM 0 HA VAL A 58 9.590 0.833 -7.408 1.00 0.00 H new ATOM 0 HB VAL A 58 9.252 -0.988 -4.993 1.00 0.00 H new ATOM 0 HG11 VAL A 58 8.136 0.972 -4.010 1.00 0.00 H new ATOM 0 HG12 VAL A 58 9.821 1.327 -4.459 1.00 0.00 H new ATOM 0 HG13 VAL A 58 8.486 1.906 -5.483 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.827 -0.688 -5.287 1.00 0.00 H new ATOM 0 HG22 VAL A 58 7.123 0.176 -6.814 1.00 0.00 H new ATOM 0 HG23 VAL A 58 7.559 -1.543 -6.665 1.00 0.00 H new ATOM 815 N ALA A 59 12.127 0.764 -7.076 1.00 0.00 N ATOM 816 CA ALA A 59 13.512 0.986 -6.679 1.00 0.00 C ATOM 817 C ALA A 59 13.638 2.222 -5.795 1.00 0.00 C ATOM 818 O ALA A 59 14.687 2.866 -5.755 1.00 0.00 O ATOM 819 CB ALA A 59 14.398 1.121 -7.908 1.00 0.00 C ATOM 0 H ALA A 59 11.882 1.154 -7.986 1.00 0.00 H new ATOM 0 HA ALA A 59 13.841 0.123 -6.101 1.00 0.00 H new ATOM 0 HB1 ALA A 59 15.429 1.286 -7.597 1.00 0.00 H new ATOM 0 HB2 ALA A 59 14.340 0.208 -8.501 1.00 0.00 H new ATOM 0 HB3 ALA A 59 14.061 1.966 -8.509 1.00 0.00 H new ATOM 825 N THR A 60 12.561 2.550 -5.087 1.00 0.00 N ATOM 826 CA THR A 60 12.551 3.710 -4.205 1.00 0.00 C ATOM 827 C THR A 60 12.112 3.326 -2.797 1.00 0.00 C ATOM 828 O THR A 60 11.771 2.173 -2.534 1.00 0.00 O ATOM 829 CB THR A 60 11.618 4.813 -4.739 1.00 0.00 C ATOM 830 OG1 THR A 60 10.400 4.234 -5.221 1.00 0.00 O ATOM 831 CG2 THR A 60 12.289 5.597 -5.856 1.00 0.00 C ATOM 0 H THR A 60 11.685 2.028 -5.108 1.00 0.00 H new ATOM 0 HA THR A 60 13.571 4.092 -4.173 1.00 0.00 H new ATOM 0 HB THR A 60 11.396 5.497 -3.920 1.00 0.00 H new ATOM 0 HG1 THR A 60 9.640 4.624 -4.741 1.00 0.00 H new ATOM 0 HG21 THR A 60 11.610 6.370 -6.217 1.00 0.00 H new ATOM 0 HG22 THR A 60 13.200 6.061 -5.478 1.00 0.00 H new ATOM 0 HG23 THR A 60 12.538 4.922 -6.675 1.00 0.00 H new ATOM 839 N THR A 61 12.122 4.301 -1.892 1.00 0.00 N ATOM 840 CA THR A 61 11.725 4.065 -0.510 1.00 0.00 C ATOM 841 C THR A 61 10.289 4.515 -0.266 1.00 0.00 C ATOM 842 O THR A 61 9.689 4.181 0.756 1.00 0.00 O ATOM 843 CB THR A 61 12.656 4.798 0.474 1.00 0.00 C ATOM 844 OG1 THR A 61 13.056 6.058 -0.076 1.00 0.00 O ATOM 845 CG2 THR A 61 13.887 3.958 0.782 1.00 0.00 C ATOM 0 H THR A 61 12.401 5.261 -2.092 1.00 0.00 H new ATOM 0 HA THR A 61 11.800 2.991 -0.338 1.00 0.00 H new ATOM 0 HB THR A 61 12.109 4.965 1.402 1.00 0.00 H new ATOM 0 HG1 THR A 61 13.646 6.518 0.556 1.00 0.00 H new ATOM 0 HG21 THR A 61 14.530 4.496 1.479 1.00 0.00 H new ATOM 0 HG22 THR A 61 13.580 3.012 1.228 1.00 0.00 H new ATOM 0 HG23 THR A 61 14.435 3.763 -0.140 1.00 0.00 H new ATOM 853 N ARG A 62 9.744 5.276 -1.209 1.00 0.00 N ATOM 854 CA ARG A 62 8.378 5.772 -1.095 1.00 0.00 C ATOM 855 C ARG A 62 7.558 5.396 -2.326 1.00 0.00 C ATOM 856 O ARG A 62 7.978 5.631 -3.460 1.00 0.00 O ATOM 857 CB ARG A 62 8.378 7.291 -0.914 1.00 0.00 C ATOM 858 CG ARG A 62 6.987 7.889 -0.782 1.00 0.00 C ATOM 859 CD ARG A 62 7.041 9.311 -0.244 1.00 0.00 C ATOM 860 NE ARG A 62 7.263 10.289 -1.305 1.00 0.00 N ATOM 861 CZ ARG A 62 7.275 11.602 -1.103 1.00 0.00 C ATOM 862 NH1 ARG A 62 7.080 12.091 0.114 1.00 0.00 N ATOM 863 NH2 ARG A 62 7.483 12.429 -2.119 1.00 0.00 N ATOM 0 H ARG A 62 10.227 5.563 -2.060 1.00 0.00 H new ATOM 0 HA ARG A 62 7.922 5.308 -0.220 1.00 0.00 H new ATOM 0 HB2 ARG A 62 8.958 7.543 -0.026 1.00 0.00 H new ATOM 0 HB3 ARG A 62 8.882 7.750 -1.765 1.00 0.00 H new ATOM 0 HG2 ARG A 62 6.494 7.885 -1.754 1.00 0.00 H new ATOM 0 HG3 ARG A 62 6.385 7.270 -0.117 1.00 0.00 H new ATOM 0 HD2 ARG A 62 6.108 9.540 0.270 1.00 0.00 H new ATOM 0 HD3 ARG A 62 7.839 9.389 0.494 1.00 0.00 H new ATOM 0 HE ARG A 62 7.417 9.945 -2.253 1.00 0.00 H new ATOM 0 HH11 ARG A 62 6.920 11.459 0.898 1.00 0.00 H new ATOM 0 HH12 ARG A 62 7.090 13.100 0.266 1.00 0.00 H new ATOM 0 HH21 ARG A 62 7.634 12.057 -3.057 1.00 0.00 H new ATOM 0 HH22 ARG A 62 7.492 13.437 -1.963 1.00 0.00 H new ATOM 877 N TYR A 63 6.388 4.812 -2.095 1.00 0.00 N ATOM 878 CA TYR A 63 5.511 4.400 -3.185 1.00 0.00 C ATOM 879 C TYR A 63 4.053 4.712 -2.858 1.00 0.00 C ATOM 880 O TYR A 63 3.659 4.741 -1.692 1.00 0.00 O ATOM 881 CB TYR A 63 5.674 2.905 -3.462 1.00 0.00 C ATOM 882 CG TYR A 63 4.835 2.408 -4.618 1.00 0.00 C ATOM 883 CD1 TYR A 63 5.326 2.432 -5.918 1.00 0.00 C ATOM 884 CD2 TYR A 63 3.553 1.916 -4.411 1.00 0.00 C ATOM 885 CE1 TYR A 63 4.563 1.980 -6.978 1.00 0.00 C ATOM 886 CE2 TYR A 63 2.783 1.461 -5.464 1.00 0.00 C ATOM 887 CZ TYR A 63 3.293 1.495 -6.745 1.00 0.00 C ATOM 888 OH TYR A 63 2.529 1.044 -7.797 1.00 0.00 O ATOM 0 H TYR A 63 6.025 4.613 -1.163 1.00 0.00 H new ATOM 0 HA TYR A 63 5.793 4.960 -4.076 1.00 0.00 H new ATOM 0 HB2 TYR A 63 6.723 2.695 -3.669 1.00 0.00 H new ATOM 0 HB3 TYR A 63 5.408 2.347 -2.564 1.00 0.00 H new ATOM 0 HD1 TYR A 63 6.321 2.810 -6.103 1.00 0.00 H new ATOM 0 HD2 TYR A 63 3.151 1.889 -3.409 1.00 0.00 H new ATOM 0 HE1 TYR A 63 4.959 2.006 -7.983 1.00 0.00 H new ATOM 0 HE2 TYR A 63 1.788 1.081 -5.285 1.00 0.00 H new ATOM 0 HH TYR A 63 1.661 0.735 -7.462 1.00 0.00 H new ATOM 898 N SER A 64 3.257 4.944 -3.897 1.00 0.00 N ATOM 899 CA SER A 64 1.844 5.257 -3.723 1.00 0.00 C ATOM 900 C SER A 64 0.968 4.232 -4.438 1.00 0.00 C ATOM 901 O SER A 64 1.318 3.744 -5.514 1.00 0.00 O ATOM 902 CB SER A 64 1.542 6.660 -4.250 1.00 0.00 C ATOM 903 OG SER A 64 1.621 6.702 -5.664 1.00 0.00 O ATOM 0 H SER A 64 3.567 4.921 -4.868 1.00 0.00 H new ATOM 0 HA SER A 64 1.618 5.221 -2.657 1.00 0.00 H new ATOM 0 HB2 SER A 64 0.546 6.966 -3.929 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.247 7.372 -3.822 1.00 0.00 H new ATOM 0 HG SER A 64 1.422 7.609 -5.976 1.00 0.00 H new ATOM 909 N ILE A 65 -0.171 3.912 -3.834 1.00 0.00 N ATOM 910 CA ILE A 65 -1.097 2.947 -4.413 1.00 0.00 C ATOM 911 C ILE A 65 -2.343 3.639 -4.956 1.00 0.00 C ATOM 912 O ILE A 65 -2.906 4.523 -4.312 1.00 0.00 O ATOM 913 CB ILE A 65 -1.522 1.885 -3.382 1.00 0.00 C ATOM 914 CG1 ILE A 65 -0.299 1.118 -2.874 1.00 0.00 C ATOM 915 CG2 ILE A 65 -2.537 0.930 -3.992 1.00 0.00 C ATOM 916 CD1 ILE A 65 0.379 1.777 -1.693 1.00 0.00 C ATOM 0 H ILE A 65 -0.475 4.307 -2.944 1.00 0.00 H new ATOM 0 HA ILE A 65 -0.570 2.456 -5.231 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.989 2.388 -2.536 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.604 0.110 -2.592 1.00 0.00 H new ATOM 0 HG13 ILE A 65 0.421 1.018 -3.687 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -2.827 0.185 -3.251 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.417 1.489 -4.309 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -2.094 0.431 -4.854 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.237 1.179 -1.386 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.714 2.775 -1.976 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -0.325 1.853 -0.865 1.00 0.00 H new ATOM 928 N GLY A 66 -2.769 3.229 -6.147 1.00 0.00 N ATOM 929 CA GLY A 66 -3.947 3.818 -6.757 1.00 0.00 C ATOM 930 C GLY A 66 -4.952 2.775 -7.204 1.00 0.00 C ATOM 931 O GLY A 66 -4.661 1.580 -7.197 1.00 0.00 O ATOM 0 H GLY A 66 -2.319 2.500 -6.700 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.421 4.494 -6.045 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -3.646 4.419 -7.615 1.00 0.00 H new ATOM 935 N GLY A 67 -6.140 3.229 -7.593 1.00 0.00 N ATOM 936 CA GLY A 67 -7.174 2.313 -8.038 1.00 0.00 C ATOM 937 C GLY A 67 -8.026 1.800 -6.894 1.00 0.00 C ATOM 938 O GLY A 67 -8.670 0.757 -7.010 1.00 0.00 O ATOM 0 H GLY A 67 -6.404 4.214 -7.608 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -7.812 2.816 -8.765 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -6.712 1.469 -8.549 1.00 0.00 H new ATOM 942 N LEU A 68 -8.029 2.533 -5.787 1.00 0.00 N ATOM 943 CA LEU A 68 -8.807 2.145 -4.615 1.00 0.00 C ATOM 944 C LEU A 68 -10.127 2.909 -4.561 1.00 0.00 C ATOM 945 O LEU A 68 -10.350 3.837 -5.337 1.00 0.00 O ATOM 946 CB LEU A 68 -8.005 2.400 -3.338 1.00 0.00 C ATOM 947 CG LEU A 68 -6.561 1.895 -3.341 1.00 0.00 C ATOM 948 CD1 LEU A 68 -5.769 2.538 -2.213 1.00 0.00 C ATOM 949 CD2 LEU A 68 -6.526 0.378 -3.222 1.00 0.00 C ATOM 0 H LEU A 68 -7.502 3.399 -5.676 1.00 0.00 H new ATOM 0 HA LEU A 68 -9.027 1.080 -4.692 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.993 3.473 -3.148 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -8.530 1.935 -2.504 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.100 2.176 -4.288 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.744 2.167 -2.231 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.765 3.620 -2.342 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -6.229 2.288 -1.257 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.491 0.037 -3.226 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.005 0.075 -2.291 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.057 -0.065 -4.064 1.00 0.00 H new ATOM 961 N SER A 69 -10.996 2.512 -3.637 1.00 0.00 N ATOM 962 CA SER A 69 -12.295 3.158 -3.482 1.00 0.00 C ATOM 963 C SER A 69 -12.272 4.152 -2.324 1.00 0.00 C ATOM 964 O SER A 69 -11.583 3.961 -1.322 1.00 0.00 O ATOM 965 CB SER A 69 -13.385 2.111 -3.249 1.00 0.00 C ATOM 966 OG SER A 69 -14.563 2.707 -2.736 1.00 0.00 O ATOM 0 H SER A 69 -10.825 1.747 -2.985 1.00 0.00 H new ATOM 0 HA SER A 69 -12.515 3.702 -4.401 1.00 0.00 H new ATOM 0 HB2 SER A 69 -13.610 1.601 -4.186 1.00 0.00 H new ATOM 0 HB3 SER A 69 -13.024 1.354 -2.553 1.00 0.00 H new ATOM 0 HG SER A 69 -15.245 2.017 -2.597 1.00 0.00 H new ATOM 972 N PRO A 70 -13.045 5.239 -2.464 1.00 0.00 N ATOM 973 CA PRO A 70 -13.133 6.284 -1.440 1.00 0.00 C ATOM 974 C PRO A 70 -13.859 5.809 -0.186 1.00 0.00 C ATOM 975 O PRO A 70 -14.910 5.173 -0.269 1.00 0.00 O ATOM 976 CB PRO A 70 -13.930 7.393 -2.132 1.00 0.00 C ATOM 977 CG PRO A 70 -14.735 6.689 -3.170 1.00 0.00 C ATOM 978 CD PRO A 70 -13.893 5.531 -3.631 1.00 0.00 C ATOM 0 HA PRO A 70 -12.148 6.599 -1.095 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -14.570 7.921 -1.425 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -13.269 8.135 -2.579 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -15.684 6.343 -2.760 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -14.970 7.355 -4.000 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -14.506 4.673 -3.907 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -13.297 5.791 -4.506 1.00 0.00 H new ATOM 986 N PHE A 71 -13.292 6.121 0.975 1.00 0.00 N ATOM 987 CA PHE A 71 -13.886 5.725 2.246 1.00 0.00 C ATOM 988 C PHE A 71 -13.775 4.217 2.452 1.00 0.00 C ATOM 989 O PHE A 71 -14.731 3.564 2.869 1.00 0.00 O ATOM 990 CB PHE A 71 -15.354 6.151 2.302 1.00 0.00 C ATOM 991 CG PHE A 71 -15.842 6.440 3.694 1.00 0.00 C ATOM 992 CD1 PHE A 71 -15.394 7.556 4.381 1.00 0.00 C ATOM 993 CD2 PHE A 71 -16.748 5.595 4.314 1.00 0.00 C ATOM 994 CE1 PHE A 71 -15.840 7.823 5.662 1.00 0.00 C ATOM 995 CE2 PHE A 71 -17.198 5.857 5.594 1.00 0.00 C ATOM 996 CZ PHE A 71 -16.745 6.973 6.268 1.00 0.00 C ATOM 0 H PHE A 71 -12.422 6.647 1.061 1.00 0.00 H new ATOM 0 HA PHE A 71 -13.339 6.225 3.045 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -15.490 7.040 1.686 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -15.969 5.364 1.866 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -14.688 8.225 3.911 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -17.107 4.721 3.791 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -15.481 8.695 6.188 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -17.903 5.189 6.066 1.00 0.00 H new ATOM 0 HZ PHE A 71 -17.097 7.181 7.267 1.00 0.00 H new ATOM 1006 N SER A 72 -12.600 3.670 2.155 1.00 0.00 N ATOM 1007 CA SER A 72 -12.364 2.239 2.303 1.00 0.00 C ATOM 1008 C SER A 72 -11.073 1.978 3.073 1.00 0.00 C ATOM 1009 O SER A 72 -10.214 2.852 3.179 1.00 0.00 O ATOM 1010 CB SER A 72 -12.296 1.567 0.930 1.00 0.00 C ATOM 1011 OG SER A 72 -11.151 1.992 0.211 1.00 0.00 O ATOM 0 H SER A 72 -11.797 4.196 1.811 1.00 0.00 H new ATOM 0 HA SER A 72 -13.195 1.815 2.867 1.00 0.00 H new ATOM 0 HB2 SER A 72 -12.271 0.484 1.052 1.00 0.00 H new ATOM 0 HB3 SER A 72 -13.195 1.803 0.361 1.00 0.00 H new ATOM 0 HG SER A 72 -11.271 2.922 -0.075 1.00 0.00 H new ATOM 1017 N GLU A 73 -10.946 0.768 3.610 1.00 0.00 N ATOM 1018 CA GLU A 73 -9.761 0.392 4.372 1.00 0.00 C ATOM 1019 C GLU A 73 -8.916 -0.618 3.601 1.00 0.00 C ATOM 1020 O GLU A 73 -9.438 -1.587 3.050 1.00 0.00 O ATOM 1021 CB GLU A 73 -10.163 -0.192 5.728 1.00 0.00 C ATOM 1022 CG GLU A 73 -9.064 -0.117 6.773 1.00 0.00 C ATOM 1023 CD GLU A 73 -9.100 1.174 7.567 1.00 0.00 C ATOM 1024 OE1 GLU A 73 -10.213 1.664 7.853 1.00 0.00 O ATOM 1025 OE2 GLU A 73 -8.016 1.694 7.903 1.00 0.00 O ATOM 0 H GLU A 73 -11.648 0.033 3.531 1.00 0.00 H new ATOM 0 HA GLU A 73 -9.165 1.290 4.534 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -11.040 0.339 6.097 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -10.454 -1.234 5.593 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -9.159 -0.962 7.456 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -8.095 -0.211 6.283 1.00 0.00 H new ATOM 1032 N TYR A 74 -7.609 -0.383 3.566 1.00 0.00 N ATOM 1033 CA TYR A 74 -6.692 -1.269 2.860 1.00 0.00 C ATOM 1034 C TYR A 74 -5.450 -1.549 3.701 1.00 0.00 C ATOM 1035 O TYR A 74 -5.015 -0.707 4.486 1.00 0.00 O ATOM 1036 CB TYR A 74 -6.286 -0.655 1.519 1.00 0.00 C ATOM 1037 CG TYR A 74 -7.276 -0.921 0.408 1.00 0.00 C ATOM 1038 CD1 TYR A 74 -8.456 -0.194 0.313 1.00 0.00 C ATOM 1039 CD2 TYR A 74 -7.031 -1.899 -0.548 1.00 0.00 C ATOM 1040 CE1 TYR A 74 -9.364 -0.433 -0.700 1.00 0.00 C ATOM 1041 CE2 TYR A 74 -7.932 -2.144 -1.566 1.00 0.00 C ATOM 1042 CZ TYR A 74 -9.097 -1.409 -1.638 1.00 0.00 C ATOM 1043 OH TYR A 74 -9.998 -1.651 -2.649 1.00 0.00 O ATOM 0 H TYR A 74 -7.161 0.414 4.018 1.00 0.00 H new ATOM 0 HA TYR A 74 -7.206 -2.213 2.678 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -6.171 0.422 1.642 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -5.312 -1.049 1.229 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -8.667 0.572 1.045 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -6.121 -2.478 -0.494 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -10.277 0.141 -0.758 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -7.725 -2.907 -2.302 1.00 0.00 H new ATOM 0 HH TYR A 74 -9.659 -2.368 -3.225 1.00 0.00 H new ATOM 1053 N ALA A 75 -4.883 -2.739 3.530 1.00 0.00 N ATOM 1054 CA ALA A 75 -3.690 -3.130 4.269 1.00 0.00 C ATOM 1055 C ALA A 75 -2.471 -3.190 3.354 1.00 0.00 C ATOM 1056 O ALA A 75 -2.357 -4.083 2.514 1.00 0.00 O ATOM 1057 CB ALA A 75 -3.908 -4.474 4.950 1.00 0.00 C ATOM 0 H ALA A 75 -5.231 -3.449 2.886 1.00 0.00 H new ATOM 0 HA ALA A 75 -3.502 -2.374 5.032 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -3.009 -4.754 5.499 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -4.747 -4.399 5.642 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.125 -5.232 4.198 1.00 0.00 H new ATOM 1063 N PHE A 76 -1.563 -2.235 3.522 1.00 0.00 N ATOM 1064 CA PHE A 76 -0.354 -2.178 2.710 1.00 0.00 C ATOM 1065 C PHE A 76 0.817 -2.838 3.431 1.00 0.00 C ATOM 1066 O PHE A 76 0.870 -2.861 4.661 1.00 0.00 O ATOM 1067 CB PHE A 76 -0.007 -0.726 2.374 1.00 0.00 C ATOM 1068 CG PHE A 76 -1.128 0.019 1.708 1.00 0.00 C ATOM 1069 CD1 PHE A 76 -2.097 0.660 2.464 1.00 0.00 C ATOM 1070 CD2 PHE A 76 -1.214 0.080 0.327 1.00 0.00 C ATOM 1071 CE1 PHE A 76 -3.130 1.346 1.854 1.00 0.00 C ATOM 1072 CE2 PHE A 76 -2.244 0.765 -0.289 1.00 0.00 C ATOM 1073 CZ PHE A 76 -3.203 1.399 0.476 1.00 0.00 C ATOM 0 H PHE A 76 -1.642 -1.490 4.214 1.00 0.00 H new ATOM 0 HA PHE A 76 -0.542 -2.723 1.785 1.00 0.00 H new ATOM 0 HB2 PHE A 76 0.270 -0.206 3.291 1.00 0.00 H new ATOM 0 HB3 PHE A 76 0.866 -0.711 1.722 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -2.044 0.623 3.542 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -0.467 -0.414 -0.276 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -3.879 1.840 2.454 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -2.299 0.804 -1.367 1.00 0.00 H new ATOM 0 HZ PHE A 76 -4.009 1.935 -0.003 1.00 0.00 H new ATOM 1083 N ARG A 77 1.754 -3.376 2.657 1.00 0.00 N ATOM 1084 CA ARG A 77 2.924 -4.039 3.221 1.00 0.00 C ATOM 1085 C ARG A 77 4.022 -4.188 2.172 1.00 0.00 C ATOM 1086 O ARG A 77 3.837 -4.856 1.155 1.00 0.00 O ATOM 1087 CB ARG A 77 2.541 -5.413 3.773 1.00 0.00 C ATOM 1088 CG ARG A 77 1.582 -6.183 2.880 1.00 0.00 C ATOM 1089 CD ARG A 77 1.082 -7.448 3.559 1.00 0.00 C ATOM 1090 NE ARG A 77 0.237 -8.247 2.676 1.00 0.00 N ATOM 1091 CZ ARG A 77 -0.023 -9.534 2.873 1.00 0.00 C ATOM 1092 NH1 ARG A 77 0.494 -10.165 3.919 1.00 0.00 N ATOM 1093 NH2 ARG A 77 -0.801 -10.193 2.024 1.00 0.00 N ATOM 0 H ARG A 77 1.726 -3.366 1.637 1.00 0.00 H new ATOM 0 HA ARG A 77 3.304 -3.421 4.035 1.00 0.00 H new ATOM 0 HB2 ARG A 77 3.446 -6.004 3.914 1.00 0.00 H new ATOM 0 HB3 ARG A 77 2.087 -5.287 4.756 1.00 0.00 H new ATOM 0 HG2 ARG A 77 0.734 -5.548 2.622 1.00 0.00 H new ATOM 0 HG3 ARG A 77 2.082 -6.443 1.947 1.00 0.00 H new ATOM 0 HD2 ARG A 77 1.934 -8.046 3.884 1.00 0.00 H new ATOM 0 HD3 ARG A 77 0.520 -7.181 4.454 1.00 0.00 H new ATOM 0 HE ARG A 77 -0.177 -7.791 1.863 1.00 0.00 H new ATOM 0 HH11 ARG A 77 1.092 -9.661 4.574 1.00 0.00 H new ATOM 0 HH12 ARG A 77 0.293 -11.154 4.069 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -1.200 -9.711 1.219 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -1.000 -11.182 2.177 1.00 0.00 H new ATOM 1107 N VAL A 78 5.166 -3.561 2.427 1.00 0.00 N ATOM 1108 CA VAL A 78 6.295 -3.625 1.506 1.00 0.00 C ATOM 1109 C VAL A 78 7.238 -4.766 1.871 1.00 0.00 C ATOM 1110 O VAL A 78 7.321 -5.172 3.031 1.00 0.00 O ATOM 1111 CB VAL A 78 7.086 -2.304 1.496 1.00 0.00 C ATOM 1112 CG1 VAL A 78 8.185 -2.347 0.445 1.00 0.00 C ATOM 1113 CG2 VAL A 78 6.153 -1.126 1.255 1.00 0.00 C ATOM 0 H VAL A 78 5.336 -3.003 3.264 1.00 0.00 H new ATOM 0 HA VAL A 78 5.883 -3.801 0.512 1.00 0.00 H new ATOM 0 HB VAL A 78 7.554 -2.174 2.472 1.00 0.00 H new ATOM 0 HG11 VAL A 78 8.733 -1.405 0.453 1.00 0.00 H new ATOM 0 HG12 VAL A 78 8.869 -3.166 0.667 1.00 0.00 H new ATOM 0 HG13 VAL A 78 7.742 -2.501 -0.539 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.729 -0.201 1.251 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.655 -1.247 0.293 1.00 0.00 H new ATOM 0 HG23 VAL A 78 5.406 -1.085 2.048 1.00 0.00 H new ATOM 1123 N LEU A 79 7.948 -5.281 0.873 1.00 0.00 N ATOM 1124 CA LEU A 79 8.888 -6.376 1.088 1.00 0.00 C ATOM 1125 C LEU A 79 10.086 -6.258 0.151 1.00 0.00 C ATOM 1126 O LEU A 79 9.964 -5.762 -0.969 1.00 0.00 O ATOM 1127 CB LEU A 79 8.190 -7.721 0.876 1.00 0.00 C ATOM 1128 CG LEU A 79 7.317 -7.834 -0.375 1.00 0.00 C ATOM 1129 CD1 LEU A 79 8.136 -8.334 -1.554 1.00 0.00 C ATOM 1130 CD2 LEU A 79 6.133 -8.755 -0.116 1.00 0.00 C ATOM 0 H LEU A 79 7.891 -4.958 -0.093 1.00 0.00 H new ATOM 0 HA LEU A 79 9.248 -6.318 2.115 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.951 -8.500 0.835 1.00 0.00 H new ATOM 0 HB3 LEU A 79 7.569 -7.927 1.748 1.00 0.00 H new ATOM 0 HG LEU A 79 6.935 -6.843 -0.620 1.00 0.00 H new ATOM 0 HD11 LEU A 79 7.498 -8.408 -2.435 1.00 0.00 H new ATOM 0 HD12 LEU A 79 8.950 -7.637 -1.753 1.00 0.00 H new ATOM 0 HD13 LEU A 79 8.548 -9.316 -1.321 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.522 -8.824 -1.016 1.00 0.00 H new ATOM 0 HD22 LEU A 79 6.496 -9.747 0.154 1.00 0.00 H new ATOM 0 HD23 LEU A 79 5.532 -8.354 0.700 1.00 0.00 H new ATOM 1142 N ALA A 80 11.242 -6.718 0.617 1.00 0.00 N ATOM 1143 CA ALA A 80 12.461 -6.668 -0.181 1.00 0.00 C ATOM 1144 C ALA A 80 12.560 -7.873 -1.109 1.00 0.00 C ATOM 1145 O ALA A 80 12.154 -8.979 -0.752 1.00 0.00 O ATOM 1146 CB ALA A 80 13.682 -6.595 0.725 1.00 0.00 C ATOM 0 H ALA A 80 11.360 -7.129 1.543 1.00 0.00 H new ATOM 0 HA ALA A 80 12.425 -5.770 -0.798 1.00 0.00 H new ATOM 0 HB1 ALA A 80 14.585 -6.558 0.116 1.00 0.00 H new ATOM 0 HB2 ALA A 80 13.624 -5.699 1.342 1.00 0.00 H new ATOM 0 HB3 ALA A 80 13.712 -7.476 1.366 1.00 0.00 H new ATOM 1152 N VAL A 81 13.101 -7.652 -2.303 1.00 0.00 N ATOM 1153 CA VAL A 81 13.253 -8.721 -3.283 1.00 0.00 C ATOM 1154 C VAL A 81 14.620 -8.661 -3.954 1.00 0.00 C ATOM 1155 O VAL A 81 15.120 -7.583 -4.272 1.00 0.00 O ATOM 1156 CB VAL A 81 12.159 -8.650 -4.365 1.00 0.00 C ATOM 1157 CG1 VAL A 81 12.142 -9.927 -5.192 1.00 0.00 C ATOM 1158 CG2 VAL A 81 10.799 -8.397 -3.732 1.00 0.00 C ATOM 0 H VAL A 81 13.441 -6.742 -2.615 1.00 0.00 H new ATOM 0 HA VAL A 81 13.158 -9.662 -2.742 1.00 0.00 H new ATOM 0 HB VAL A 81 12.385 -7.817 -5.031 1.00 0.00 H new ATOM 0 HG11 VAL A 81 11.363 -9.858 -5.951 1.00 0.00 H new ATOM 0 HG12 VAL A 81 13.110 -10.060 -5.676 1.00 0.00 H new ATOM 0 HG13 VAL A 81 11.941 -10.779 -4.542 1.00 0.00 H new ATOM 0 HG21 VAL A 81 10.038 -8.350 -4.511 1.00 0.00 H new ATOM 0 HG22 VAL A 81 10.562 -9.207 -3.042 1.00 0.00 H new ATOM 0 HG23 VAL A 81 10.821 -7.452 -3.188 1.00 0.00 H new ATOM 1168 N ASN A 82 15.221 -9.827 -4.167 1.00 0.00 N ATOM 1169 CA ASN A 82 16.532 -9.908 -4.800 1.00 0.00 C ATOM 1170 C ASN A 82 16.656 -11.179 -5.635 1.00 0.00 C ATOM 1171 O ASN A 82 15.706 -11.953 -5.750 1.00 0.00 O ATOM 1172 CB ASN A 82 17.636 -9.870 -3.742 1.00 0.00 C ATOM 1173 CG ASN A 82 17.621 -11.095 -2.847 1.00 0.00 C ATOM 1174 OD1 ASN A 82 17.189 -12.172 -3.258 1.00 0.00 O ATOM 1175 ND2 ASN A 82 18.095 -10.934 -1.617 1.00 0.00 N ATOM 0 H ASN A 82 14.821 -10.729 -3.910 1.00 0.00 H new ATOM 0 HA ASN A 82 16.642 -9.048 -5.461 1.00 0.00 H new ATOM 0 HB2 ASN A 82 18.605 -9.795 -4.235 1.00 0.00 H new ATOM 0 HB3 ASN A 82 17.519 -8.975 -3.131 1.00 0.00 H new ATOM 0 HD21 ASN A 82 18.111 -11.722 -0.969 1.00 0.00 H new ATOM 0 HD22 ASN A 82 18.443 -10.022 -1.320 1.00 0.00 H new ATOM 1182 N SER A 83 17.833 -11.386 -6.216 1.00 0.00 N ATOM 1183 CA SER A 83 18.081 -12.562 -7.043 1.00 0.00 C ATOM 1184 C SER A 83 17.749 -13.841 -6.282 1.00 0.00 C ATOM 1185 O SER A 83 17.378 -14.853 -6.879 1.00 0.00 O ATOM 1186 CB SER A 83 19.540 -12.591 -7.501 1.00 0.00 C ATOM 1187 OG SER A 83 19.792 -11.587 -8.469 1.00 0.00 O ATOM 0 H SER A 83 18.630 -10.755 -6.130 1.00 0.00 H new ATOM 0 HA SER A 83 17.434 -12.503 -7.918 1.00 0.00 H new ATOM 0 HB2 SER A 83 20.196 -12.446 -6.643 1.00 0.00 H new ATOM 0 HB3 SER A 83 19.774 -13.570 -7.919 1.00 0.00 H new ATOM 0 HG SER A 83 20.732 -11.626 -8.744 1.00 0.00 H new ATOM 1193 N ILE A 84 17.885 -13.789 -4.961 1.00 0.00 N ATOM 1194 CA ILE A 84 17.599 -14.943 -4.118 1.00 0.00 C ATOM 1195 C ILE A 84 16.099 -15.210 -4.043 1.00 0.00 C ATOM 1196 O ILE A 84 15.650 -16.341 -4.226 1.00 0.00 O ATOM 1197 CB ILE A 84 18.147 -14.748 -2.692 1.00 0.00 C ATOM 1198 CG1 ILE A 84 19.522 -14.079 -2.738 1.00 0.00 C ATOM 1199 CG2 ILE A 84 18.224 -16.083 -1.967 1.00 0.00 C ATOM 1200 CD1 ILE A 84 20.497 -14.766 -3.669 1.00 0.00 C ATOM 0 H ILE A 84 18.191 -12.960 -4.452 1.00 0.00 H new ATOM 0 HA ILE A 84 18.096 -15.799 -4.575 1.00 0.00 H new ATOM 0 HB ILE A 84 17.466 -14.098 -2.142 1.00 0.00 H new ATOM 0 HG12 ILE A 84 19.402 -13.042 -3.051 1.00 0.00 H new ATOM 0 HG13 ILE A 84 19.943 -14.062 -1.733 1.00 0.00 H new ATOM 0 HG21 ILE A 84 18.613 -15.929 -0.961 1.00 0.00 H new ATOM 0 HG22 ILE A 84 17.228 -16.523 -1.908 1.00 0.00 H new ATOM 0 HG23 ILE A 84 18.886 -16.756 -2.513 1.00 0.00 H new ATOM 0 HD11 ILE A 84 21.450 -14.238 -3.651 1.00 0.00 H new ATOM 0 HD12 ILE A 84 20.646 -15.796 -3.344 1.00 0.00 H new ATOM 0 HD13 ILE A 84 20.098 -14.760 -4.683 1.00 0.00 H new ATOM 1212 N GLY A 85 15.329 -14.160 -3.773 1.00 0.00 N ATOM 1213 CA GLY A 85 13.888 -14.302 -3.680 1.00 0.00 C ATOM 1214 C GLY A 85 13.247 -13.188 -2.876 1.00 0.00 C ATOM 1215 O GLY A 85 13.934 -12.294 -2.384 1.00 0.00 O ATOM 0 H GLY A 85 15.678 -13.214 -3.617 1.00 0.00 H new ATOM 0 HA2 GLY A 85 13.462 -14.314 -4.683 1.00 0.00 H new ATOM 0 HA3 GLY A 85 13.649 -15.261 -3.221 1.00 0.00 H new ATOM 1219 N ARG A 86 11.925 -13.241 -2.744 1.00 0.00 N ATOM 1220 CA ARG A 86 11.191 -12.227 -1.997 1.00 0.00 C ATOM 1221 C ARG A 86 11.077 -12.613 -0.525 1.00 0.00 C ATOM 1222 O ARG A 86 10.585 -13.690 -0.191 1.00 0.00 O ATOM 1223 CB ARG A 86 9.796 -12.034 -2.594 1.00 0.00 C ATOM 1224 CG ARG A 86 9.780 -12.026 -4.113 1.00 0.00 C ATOM 1225 CD ARG A 86 8.464 -12.558 -4.659 1.00 0.00 C ATOM 1226 NE ARG A 86 8.327 -13.997 -4.451 1.00 0.00 N ATOM 1227 CZ ARG A 86 7.235 -14.685 -4.767 1.00 0.00 C ATOM 1228 NH1 ARG A 86 6.191 -14.068 -5.304 1.00 0.00 N ATOM 1229 NH2 ARG A 86 7.187 -15.993 -4.547 1.00 0.00 N ATOM 0 H ARG A 86 11.341 -13.975 -3.145 1.00 0.00 H new ATOM 0 HA ARG A 86 11.742 -11.289 -2.068 1.00 0.00 H new ATOM 0 HB2 ARG A 86 9.144 -12.831 -2.236 1.00 0.00 H new ATOM 0 HB3 ARG A 86 9.381 -11.094 -2.230 1.00 0.00 H new ATOM 0 HG2 ARG A 86 9.941 -11.010 -4.474 1.00 0.00 H new ATOM 0 HG3 ARG A 86 10.603 -12.633 -4.490 1.00 0.00 H new ATOM 0 HD2 ARG A 86 7.635 -12.041 -4.175 1.00 0.00 H new ATOM 0 HD3 ARG A 86 8.398 -12.338 -5.724 1.00 0.00 H new ATOM 0 HE ARG A 86 9.113 -14.502 -4.041 1.00 0.00 H new ATOM 0 HH11 ARG A 86 6.225 -13.063 -5.475 1.00 0.00 H new ATOM 0 HH12 ARG A 86 5.354 -14.598 -5.546 1.00 0.00 H new ATOM 0 HH21 ARG A 86 7.989 -16.471 -4.135 1.00 0.00 H new ATOM 0 HH22 ARG A 86 6.348 -16.521 -4.790 1.00 0.00 H new ATOM 1243 N GLY A 87 11.537 -11.725 0.352 1.00 0.00 N ATOM 1244 CA GLY A 87 11.478 -11.991 1.777 1.00 0.00 C ATOM 1245 C GLY A 87 10.094 -11.766 2.353 1.00 0.00 C ATOM 1246 O GLY A 87 9.135 -11.493 1.630 1.00 0.00 O ATOM 0 H GLY A 87 11.949 -10.827 0.100 1.00 0.00 H new ATOM 0 HA2 GLY A 87 11.783 -13.021 1.964 1.00 0.00 H new ATOM 0 HA3 GLY A 87 12.192 -11.349 2.293 1.00 0.00 H new ATOM 1250 N PRO A 88 9.975 -11.883 3.684 1.00 0.00 N ATOM 1251 CA PRO A 88 8.702 -11.695 4.385 1.00 0.00 C ATOM 1252 C PRO A 88 8.242 -10.242 4.373 1.00 0.00 C ATOM 1253 O PRO A 88 9.048 -9.311 4.342 1.00 0.00 O ATOM 1254 CB PRO A 88 9.014 -12.146 5.814 1.00 0.00 C ATOM 1255 CG PRO A 88 10.482 -11.943 5.963 1.00 0.00 C ATOM 1256 CD PRO A 88 11.076 -12.206 4.607 1.00 0.00 C ATOM 0 HA PRO A 88 7.892 -12.252 3.915 1.00 0.00 H new ATOM 0 HB2 PRO A 88 8.457 -11.560 6.545 1.00 0.00 H new ATOM 0 HB3 PRO A 88 8.741 -13.190 5.968 1.00 0.00 H new ATOM 0 HG2 PRO A 88 10.704 -10.929 6.296 1.00 0.00 H new ATOM 0 HG3 PRO A 88 10.896 -12.622 6.709 1.00 0.00 H new ATOM 0 HD2 PRO A 88 11.951 -11.582 4.423 1.00 0.00 H new ATOM 0 HD3 PRO A 88 11.397 -13.243 4.503 1.00 0.00 H new ATOM 1264 N PRO A 89 6.916 -10.039 4.398 1.00 0.00 N ATOM 1265 CA PRO A 89 6.320 -8.700 4.392 1.00 0.00 C ATOM 1266 C PRO A 89 6.558 -7.954 5.700 1.00 0.00 C ATOM 1267 O PRO A 89 6.779 -8.567 6.744 1.00 0.00 O ATOM 1268 CB PRO A 89 4.827 -8.978 4.198 1.00 0.00 C ATOM 1269 CG PRO A 89 4.626 -10.355 4.729 1.00 0.00 C ATOM 1270 CD PRO A 89 5.898 -11.102 4.435 1.00 0.00 C ATOM 0 HA PRO A 89 6.753 -8.064 3.620 1.00 0.00 H new ATOM 0 HB2 PRO A 89 4.216 -8.253 4.736 1.00 0.00 H new ATOM 0 HB3 PRO A 89 4.546 -8.914 3.147 1.00 0.00 H new ATOM 0 HG2 PRO A 89 4.424 -10.335 5.800 1.00 0.00 H new ATOM 0 HG3 PRO A 89 3.772 -10.836 4.253 1.00 0.00 H new ATOM 0 HD2 PRO A 89 6.117 -11.842 5.205 1.00 0.00 H new ATOM 0 HD3 PRO A 89 5.840 -11.637 3.487 1.00 0.00 H new ATOM 1278 N SER A 90 6.510 -6.627 5.636 1.00 0.00 N ATOM 1279 CA SER A 90 6.724 -5.796 6.816 1.00 0.00 C ATOM 1280 C SER A 90 5.418 -5.586 7.576 1.00 0.00 C ATOM 1281 O SER A 90 4.333 -5.808 7.039 1.00 0.00 O ATOM 1282 CB SER A 90 7.316 -4.444 6.413 1.00 0.00 C ATOM 1283 OG SER A 90 7.460 -3.595 7.539 1.00 0.00 O ATOM 0 H SER A 90 6.325 -6.104 4.780 1.00 0.00 H new ATOM 0 HA SER A 90 7.427 -6.311 7.471 1.00 0.00 H new ATOM 0 HB2 SER A 90 8.287 -4.595 5.941 1.00 0.00 H new ATOM 0 HB3 SER A 90 6.672 -3.967 5.674 1.00 0.00 H new ATOM 0 HG SER A 90 8.409 -3.515 7.769 1.00 0.00 H new ATOM 1289 N GLU A 91 5.532 -5.157 8.829 1.00 0.00 N ATOM 1290 CA GLU A 91 4.360 -4.917 9.663 1.00 0.00 C ATOM 1291 C GLU A 91 3.230 -4.296 8.848 1.00 0.00 C ATOM 1292 O GLU A 91 3.171 -3.079 8.675 1.00 0.00 O ATOM 1293 CB GLU A 91 4.720 -4.003 10.836 1.00 0.00 C ATOM 1294 CG GLU A 91 5.356 -2.690 10.412 1.00 0.00 C ATOM 1295 CD GLU A 91 6.157 -2.043 11.525 1.00 0.00 C ATOM 1296 OE1 GLU A 91 5.605 -1.877 12.633 1.00 0.00 O ATOM 1297 OE2 GLU A 91 7.334 -1.701 11.288 1.00 0.00 O ATOM 0 H GLU A 91 6.423 -4.969 9.289 1.00 0.00 H new ATOM 0 HA GLU A 91 4.019 -5.877 10.051 1.00 0.00 H new ATOM 0 HB2 GLU A 91 3.818 -3.791 11.411 1.00 0.00 H new ATOM 0 HB3 GLU A 91 5.405 -4.531 11.500 1.00 0.00 H new ATOM 0 HG2 GLU A 91 6.007 -2.866 9.556 1.00 0.00 H new ATOM 0 HG3 GLU A 91 4.577 -2.003 10.084 1.00 0.00 H new ATOM 1304 N ALA A 92 2.333 -5.141 8.350 1.00 0.00 N ATOM 1305 CA ALA A 92 1.204 -4.676 7.555 1.00 0.00 C ATOM 1306 C ALA A 92 0.570 -3.435 8.175 1.00 0.00 C ATOM 1307 O ALA A 92 0.279 -3.406 9.370 1.00 0.00 O ATOM 1308 CB ALA A 92 0.170 -5.783 7.409 1.00 0.00 C ATOM 0 H ALA A 92 2.367 -6.152 8.483 1.00 0.00 H new ATOM 0 HA ALA A 92 1.574 -4.407 6.566 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -0.668 -5.422 6.813 1.00 0.00 H new ATOM 0 HB2 ALA A 92 0.624 -6.642 6.914 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -0.187 -6.079 8.395 1.00 0.00 H new ATOM 1314 N VAL A 93 0.360 -2.411 7.354 1.00 0.00 N ATOM 1315 CA VAL A 93 -0.240 -1.167 7.822 1.00 0.00 C ATOM 1316 C VAL A 93 -1.597 -0.931 7.167 1.00 0.00 C ATOM 1317 O VAL A 93 -1.734 -1.028 5.948 1.00 0.00 O ATOM 1318 CB VAL A 93 0.673 0.039 7.535 1.00 0.00 C ATOM 1319 CG1 VAL A 93 2.039 -0.160 8.175 1.00 0.00 C ATOM 1320 CG2 VAL A 93 0.806 0.262 6.036 1.00 0.00 C ATOM 0 H VAL A 93 0.596 -2.418 6.362 1.00 0.00 H new ATOM 0 HA VAL A 93 -0.372 -1.265 8.900 1.00 0.00 H new ATOM 0 HB VAL A 93 0.219 0.928 7.973 1.00 0.00 H new ATOM 0 HG11 VAL A 93 2.670 0.703 7.961 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.923 -0.267 9.254 1.00 0.00 H new ATOM 0 HG13 VAL A 93 2.503 -1.059 7.769 1.00 0.00 H new ATOM 0 HG21 VAL A 93 1.455 1.118 5.852 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.237 -0.626 5.573 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.178 0.453 5.608 1.00 0.00 H new ATOM 1330 N ARG A 94 -2.596 -0.620 7.986 1.00 0.00 N ATOM 1331 CA ARG A 94 -3.943 -0.370 7.487 1.00 0.00 C ATOM 1332 C ARG A 94 -4.212 1.128 7.374 1.00 0.00 C ATOM 1333 O ARG A 94 -4.174 1.852 8.368 1.00 0.00 O ATOM 1334 CB ARG A 94 -4.979 -1.017 8.408 1.00 0.00 C ATOM 1335 CG ARG A 94 -5.091 -2.523 8.236 1.00 0.00 C ATOM 1336 CD ARG A 94 -6.411 -3.049 8.776 1.00 0.00 C ATOM 1337 NE ARG A 94 -6.303 -4.431 9.234 1.00 0.00 N ATOM 1338 CZ ARG A 94 -5.560 -4.806 10.270 1.00 0.00 C ATOM 1339 NH1 ARG A 94 -4.864 -3.906 10.951 1.00 0.00 N ATOM 1340 NH2 ARG A 94 -5.513 -6.083 10.627 1.00 0.00 N ATOM 0 H ARG A 94 -2.498 -0.535 8.998 1.00 0.00 H new ATOM 0 HA ARG A 94 -4.023 -0.812 6.494 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -4.720 -0.796 9.444 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -5.953 -0.565 8.220 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -5.002 -2.777 7.180 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -4.265 -3.012 8.752 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -6.742 -2.418 9.601 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -7.173 -2.983 7.999 1.00 0.00 H new ATOM 0 HE ARG A 94 -6.826 -5.148 8.731 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -4.898 -2.923 10.680 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -4.295 -4.196 11.746 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -6.048 -6.778 10.106 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -4.942 -6.370 11.422 1.00 0.00 H new ATOM 1354 N ALA A 95 -4.482 1.585 6.156 1.00 0.00 N ATOM 1355 CA ALA A 95 -4.759 2.996 5.913 1.00 0.00 C ATOM 1356 C ALA A 95 -6.077 3.176 5.168 1.00 0.00 C ATOM 1357 O ALA A 95 -6.266 2.633 4.080 1.00 0.00 O ATOM 1358 CB ALA A 95 -3.618 3.630 5.132 1.00 0.00 C ATOM 0 H ALA A 95 -4.515 0.999 5.322 1.00 0.00 H new ATOM 0 HA ALA A 95 -4.846 3.496 6.878 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -3.838 4.683 4.957 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -2.693 3.542 5.703 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -3.504 3.120 4.176 1.00 0.00 H new ATOM 1364 N ARG A 96 -6.986 3.942 5.762 1.00 0.00 N ATOM 1365 CA ARG A 96 -8.288 4.193 5.155 1.00 0.00 C ATOM 1366 C ARG A 96 -8.242 5.428 4.260 1.00 0.00 C ATOM 1367 O ARG A 96 -7.878 6.517 4.704 1.00 0.00 O ATOM 1368 CB ARG A 96 -9.353 4.374 6.238 1.00 0.00 C ATOM 1369 CG ARG A 96 -10.743 3.938 5.804 1.00 0.00 C ATOM 1370 CD ARG A 96 -11.768 4.170 6.902 1.00 0.00 C ATOM 1371 NE ARG A 96 -12.062 5.589 7.086 1.00 0.00 N ATOM 1372 CZ ARG A 96 -12.679 6.079 8.155 1.00 0.00 C ATOM 1373 NH1 ARG A 96 -13.065 5.270 9.131 1.00 0.00 N ATOM 1374 NH2 ARG A 96 -12.910 7.382 8.250 1.00 0.00 N ATOM 0 H ARG A 96 -6.845 4.400 6.663 1.00 0.00 H new ATOM 0 HA ARG A 96 -8.547 3.330 4.541 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -9.062 3.805 7.121 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -9.386 5.423 6.532 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -11.035 4.488 4.910 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -10.727 2.881 5.537 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -12.688 3.638 6.658 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -11.397 3.752 7.838 1.00 0.00 H new ATOM 0 HE ARG A 96 -11.778 6.239 6.353 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -12.888 4.268 9.063 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -13.539 5.650 9.951 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -12.614 8.008 7.502 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -13.384 7.757 9.071 1.00 0.00 H new ATOM 1388 N THR A 97 -8.613 5.251 2.996 1.00 0.00 N ATOM 1389 CA THR A 97 -8.613 6.350 2.038 1.00 0.00 C ATOM 1390 C THR A 97 -9.722 7.349 2.347 1.00 0.00 C ATOM 1391 O THR A 97 -10.724 7.005 2.972 1.00 0.00 O ATOM 1392 CB THR A 97 -8.787 5.838 0.596 1.00 0.00 C ATOM 1393 OG1 THR A 97 -10.135 5.403 0.389 1.00 0.00 O ATOM 1394 CG2 THR A 97 -7.829 4.691 0.310 1.00 0.00 C ATOM 0 H THR A 97 -8.917 4.357 2.612 1.00 0.00 H new ATOM 0 HA THR A 97 -7.646 6.846 2.126 1.00 0.00 H new ATOM 0 HB THR A 97 -8.562 6.658 -0.086 1.00 0.00 H new ATOM 0 HG1 THR A 97 -10.185 4.874 -0.434 1.00 0.00 H new ATOM 0 HG21 THR A 97 -7.970 4.346 -0.714 1.00 0.00 H new ATOM 0 HG22 THR A 97 -6.802 5.034 0.439 1.00 0.00 H new ATOM 0 HG23 THR A 97 -8.027 3.871 1.000 1.00 0.00 H new ATOM 1402 N GLY A 98 -9.535 8.589 1.905 1.00 0.00 N ATOM 1403 CA GLY A 98 -10.528 9.619 2.145 1.00 0.00 C ATOM 1404 C GLY A 98 -11.740 9.477 1.245 1.00 0.00 C ATOM 1405 O GLY A 98 -11.777 8.605 0.377 1.00 0.00 O ATOM 0 H GLY A 98 -8.714 8.898 1.385 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -10.846 9.577 3.187 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -10.076 10.599 1.989 1.00 0.00 H new