USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 545 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 90 SER OG : rot -119:sc= 0.0123 USER MOD Set 1.2: A 93 THR OG1 : rot 180:sc= 0.0131 USER MOD Set 2.1: A 34 GLN : amide:sc= 0.887 K(o=1.7,f=-0.4) USER MOD Set 2.2: A 68 THR OG1 : rot -130:sc= 0.778 USER MOD Set 3.1: A 28 THR OG1 : rot 180:sc= 0.639 USER MOD Set 3.2: A 71 LYS NZ :NH3+ -165:sc= 0.715 (180deg=0) USER MOD Set 4.1: A 22 LYS NZ :NH3+ 178:sc= 0.92 (180deg=0) USER MOD Set 4.2: A 77 THR OG1 : rot 170:sc= 0.814 USER MOD Single : A 5 LYS NZ :NH3+ 159:sc= 2.08 (180deg=1.47) USER MOD Single : A 7 GLN : amide:sc= 1.08 K(o=1.1,f=-0.12) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= 0.358 K(o=0.36,f=-4!) USER MOD Single : A 15 LYS NZ :NH3+ 177:sc= 0.905 (180deg=0.891) USER MOD Single : A 18 LYS NZ :NH3+ -129:sc= 0.746 (180deg=-0.0162) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -144:sc= 1.23 (180deg=0.541) USER MOD Single : A 27 GLN : amide:sc= -0.522 K(o=-0.52,f=-4.2!) USER MOD Single : A 67 HIS : no HD1:sc= 0.683 K(o=0.68,f=-2.2!) USER MOD Single : A 84 ASN : amide:sc= 0.908 K(o=0.91,f=-0.0027) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot -150:sc= 0.0888 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= 0.958 K(o=0.96,f=0) USER MOD ----------------------------------------------------------------- ATOM 15 N VAL A 2 1.498 -4.750 -0.495 1.00 0.00 N ATOM 16 CA VAL A 2 2.732 -5.416 -0.961 1.00 0.00 C ATOM 17 C VAL A 2 2.693 -5.621 -2.459 1.00 0.00 C ATOM 18 O VAL A 2 1.626 -5.589 -3.040 1.00 0.00 O ATOM 19 CB VAL A 2 2.887 -6.799 -0.287 1.00 0.00 C ATOM 20 CG1 VAL A 2 2.443 -8.058 -1.037 1.00 0.00 C ATOM 21 CG2 VAL A 2 4.339 -7.091 0.013 1.00 0.00 C ATOM 0 HA VAL A 2 3.573 -4.775 -0.696 1.00 0.00 H new ATOM 0 HB VAL A 2 2.220 -6.657 0.563 1.00 0.00 H new ATOM 0 HG11 VAL A 2 2.625 -8.935 -0.415 1.00 0.00 H new ATOM 0 HG12 VAL A 2 1.379 -7.989 -1.266 1.00 0.00 H new ATOM 0 HG13 VAL A 2 3.008 -8.147 -1.965 1.00 0.00 H new ATOM 0 HG21 VAL A 2 4.423 -8.069 0.487 1.00 0.00 H new ATOM 0 HG22 VAL A 2 4.910 -7.087 -0.915 1.00 0.00 H new ATOM 0 HG23 VAL A 2 4.732 -6.328 0.684 1.00 0.00 H new ATOM 31 N ILE A 3 3.826 -5.963 -3.066 1.00 0.00 N ATOM 32 CA ILE A 3 3.928 -6.444 -4.443 1.00 0.00 C ATOM 33 C ILE A 3 4.707 -7.770 -4.409 1.00 0.00 C ATOM 34 O ILE A 3 5.896 -7.801 -4.082 1.00 0.00 O ATOM 35 CB ILE A 3 4.512 -5.333 -5.344 1.00 0.00 C ATOM 36 CG1 ILE A 3 3.349 -4.461 -5.870 1.00 0.00 C ATOM 37 CG2 ILE A 3 5.375 -5.852 -6.502 1.00 0.00 C ATOM 38 CD1 ILE A 3 2.577 -5.079 -7.040 1.00 0.00 C ATOM 0 H ILE A 3 4.731 -5.912 -2.597 1.00 0.00 H new ATOM 0 HA ILE A 3 2.961 -6.665 -4.895 1.00 0.00 H new ATOM 0 HB ILE A 3 5.193 -4.742 -4.731 1.00 0.00 H new ATOM 0 HG12 ILE A 3 2.654 -4.270 -5.052 1.00 0.00 H new ATOM 0 HG13 ILE A 3 3.747 -3.495 -6.182 1.00 0.00 H new ATOM 0 HG21 ILE A 3 5.746 -5.009 -7.085 1.00 0.00 H new ATOM 0 HG22 ILE A 3 6.218 -6.416 -6.103 1.00 0.00 H new ATOM 0 HG23 ILE A 3 4.775 -6.500 -7.141 1.00 0.00 H new ATOM 0 HD11 ILE A 3 1.779 -4.403 -7.347 1.00 0.00 H new ATOM 0 HD12 ILE A 3 3.255 -5.244 -7.877 1.00 0.00 H new ATOM 0 HD13 ILE A 3 2.146 -6.031 -6.729 1.00 0.00 H new ATOM 50 N ILE A 4 3.996 -8.881 -4.633 1.00 0.00 N ATOM 51 CA ILE A 4 4.514 -10.242 -4.546 1.00 0.00 C ATOM 52 C ILE A 4 5.491 -10.532 -5.698 1.00 0.00 C ATOM 53 O ILE A 4 5.342 -10.038 -6.825 1.00 0.00 O ATOM 54 CB ILE A 4 3.304 -11.206 -4.527 1.00 0.00 C ATOM 55 CG1 ILE A 4 3.351 -12.322 -3.488 1.00 0.00 C ATOM 56 CG2 ILE A 4 3.023 -11.842 -5.877 1.00 0.00 C ATOM 57 CD1 ILE A 4 4.589 -13.225 -3.481 1.00 0.00 C ATOM 0 H ILE A 4 3.009 -8.851 -4.889 1.00 0.00 H new ATOM 0 HA ILE A 4 5.090 -10.381 -3.631 1.00 0.00 H new ATOM 0 HB ILE A 4 2.498 -10.529 -4.244 1.00 0.00 H new ATOM 0 HG12 ILE A 4 3.259 -11.868 -2.501 1.00 0.00 H new ATOM 0 HG13 ILE A 4 2.474 -12.953 -3.631 1.00 0.00 H new ATOM 0 HG21 ILE A 4 2.163 -12.506 -5.794 1.00 0.00 H new ATOM 0 HG22 ILE A 4 2.811 -11.063 -6.609 1.00 0.00 H new ATOM 0 HG23 ILE A 4 3.894 -12.414 -6.198 1.00 0.00 H new ATOM 0 HD11 ILE A 4 4.490 -13.973 -2.694 1.00 0.00 H new ATOM 0 HD12 ILE A 4 4.681 -13.724 -4.446 1.00 0.00 H new ATOM 0 HD13 ILE A 4 5.478 -12.622 -3.298 1.00 0.00 H new ATOM 69 N LYS A 5 6.481 -11.381 -5.414 1.00 0.00 N ATOM 70 CA LYS A 5 7.558 -11.785 -6.328 1.00 0.00 C ATOM 71 C LYS A 5 7.973 -13.245 -6.156 1.00 0.00 C ATOM 72 O LYS A 5 7.789 -13.812 -5.075 1.00 0.00 O ATOM 73 CB LYS A 5 8.744 -10.856 -6.078 1.00 0.00 C ATOM 74 CG LYS A 5 8.392 -9.450 -6.558 1.00 0.00 C ATOM 75 CD LYS A 5 9.619 -8.622 -6.887 1.00 0.00 C ATOM 76 CE LYS A 5 9.079 -7.237 -7.231 1.00 0.00 C ATOM 77 NZ LYS A 5 10.124 -6.187 -7.307 1.00 0.00 N ATOM 0 H LYS A 5 6.560 -11.827 -4.500 1.00 0.00 H new ATOM 0 HA LYS A 5 7.198 -11.702 -7.354 1.00 0.00 H new ATOM 0 HB2 LYS A 5 8.991 -10.839 -5.016 1.00 0.00 H new ATOM 0 HB3 LYS A 5 9.625 -11.223 -6.604 1.00 0.00 H new ATOM 0 HG2 LYS A 5 7.758 -9.520 -7.442 1.00 0.00 H new ATOM 0 HG3 LYS A 5 7.811 -8.942 -5.788 1.00 0.00 H new ATOM 0 HD2 LYS A 5 10.305 -8.579 -6.041 1.00 0.00 H new ATOM 0 HD3 LYS A 5 10.171 -9.050 -7.724 1.00 0.00 H new ATOM 0 HE2 LYS A 5 8.558 -7.288 -8.187 1.00 0.00 H new ATOM 0 HE3 LYS A 5 8.342 -6.949 -6.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 9.772 -5.388 -7.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 10.356 -5.858 -6.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 10.977 -6.578 -7.755 1.00 0.00 H new ATOM 91 N PRO A 6 8.519 -13.860 -7.216 1.00 0.00 N ATOM 92 CA PRO A 6 8.840 -15.282 -7.225 1.00 0.00 C ATOM 93 C PRO A 6 10.137 -15.604 -6.471 1.00 0.00 C ATOM 94 O PRO A 6 11.067 -14.801 -6.449 1.00 0.00 O ATOM 95 CB PRO A 6 8.931 -15.620 -8.711 1.00 0.00 C ATOM 96 CG PRO A 6 9.388 -14.331 -9.390 1.00 0.00 C ATOM 97 CD PRO A 6 8.764 -13.250 -8.526 1.00 0.00 C ATOM 0 HA PRO A 6 8.090 -15.878 -6.704 1.00 0.00 H new ATOM 0 HB2 PRO A 6 9.639 -16.430 -8.888 1.00 0.00 H new ATOM 0 HB3 PRO A 6 7.967 -15.949 -9.099 1.00 0.00 H new ATOM 0 HG2 PRO A 6 10.475 -14.251 -9.414 1.00 0.00 H new ATOM 0 HG3 PRO A 6 9.041 -14.273 -10.422 1.00 0.00 H new ATOM 0 HD2 PRO A 6 9.430 -12.391 -8.437 1.00 0.00 H new ATOM 0 HD3 PRO A 6 7.835 -12.889 -8.966 1.00 0.00 H new ATOM 105 N GLN A 7 10.234 -16.799 -5.873 1.00 0.00 N ATOM 106 CA GLN A 7 11.440 -17.228 -5.149 1.00 0.00 C ATOM 107 C GLN A 7 12.610 -17.653 -6.066 1.00 0.00 C ATOM 108 O GLN A 7 13.742 -17.778 -5.595 1.00 0.00 O ATOM 109 CB GLN A 7 11.090 -18.295 -4.097 1.00 0.00 C ATOM 110 CG GLN A 7 10.558 -19.628 -4.661 1.00 0.00 C ATOM 111 CD GLN A 7 10.460 -20.708 -3.574 1.00 0.00 C ATOM 112 OE1 GLN A 7 11.396 -20.962 -2.826 1.00 0.00 O ATOM 113 NE2 GLN A 7 9.343 -21.384 -3.428 1.00 0.00 N ATOM 0 H GLN A 7 9.485 -17.492 -5.877 1.00 0.00 H new ATOM 0 HA GLN A 7 11.818 -16.349 -4.627 1.00 0.00 H new ATOM 0 HB2 GLN A 7 11.980 -18.501 -3.502 1.00 0.00 H new ATOM 0 HB3 GLN A 7 10.342 -17.882 -3.420 1.00 0.00 H new ATOM 0 HG2 GLN A 7 9.575 -19.469 -5.105 1.00 0.00 H new ATOM 0 HG3 GLN A 7 11.216 -19.974 -5.459 1.00 0.00 H new ATOM 0 HE21 GLN A 7 8.548 -21.193 -4.037 1.00 0.00 H new ATOM 0 HE22 GLN A 7 9.271 -22.100 -2.705 1.00 0.00 H new ATOM 122 N VAL A 8 12.352 -17.838 -7.365 1.00 0.00 N ATOM 123 CA VAL A 8 13.336 -18.153 -8.421 1.00 0.00 C ATOM 124 C VAL A 8 12.970 -17.439 -9.729 1.00 0.00 C ATOM 125 O VAL A 8 11.816 -17.064 -9.935 1.00 0.00 O ATOM 126 CB VAL A 8 13.448 -19.673 -8.692 1.00 0.00 C ATOM 127 CG1 VAL A 8 13.954 -20.456 -7.472 1.00 0.00 C ATOM 128 CG2 VAL A 8 12.124 -20.295 -9.160 1.00 0.00 C ATOM 0 H VAL A 8 11.403 -17.770 -7.733 1.00 0.00 H new ATOM 0 HA VAL A 8 14.302 -17.801 -8.058 1.00 0.00 H new ATOM 0 HB VAL A 8 14.179 -19.754 -9.496 1.00 0.00 H new ATOM 0 HG11 VAL A 8 14.013 -21.516 -7.719 1.00 0.00 H new ATOM 0 HG12 VAL A 8 14.943 -20.093 -7.191 1.00 0.00 H new ATOM 0 HG13 VAL A 8 13.266 -20.315 -6.638 1.00 0.00 H new ATOM 0 HG21 VAL A 8 12.265 -21.362 -9.334 1.00 0.00 H new ATOM 0 HG22 VAL A 8 11.363 -20.150 -8.394 1.00 0.00 H new ATOM 0 HG23 VAL A 8 11.804 -19.816 -10.085 1.00 0.00 H new ATOM 138 N SER A 9 13.935 -17.263 -10.635 1.00 0.00 N ATOM 139 CA SER A 9 13.647 -16.828 -12.009 1.00 0.00 C ATOM 140 C SER A 9 13.180 -18.014 -12.884 1.00 0.00 C ATOM 141 O SER A 9 13.436 -19.177 -12.561 1.00 0.00 O ATOM 142 CB SER A 9 14.886 -16.153 -12.608 1.00 0.00 C ATOM 143 OG SER A 9 15.967 -17.065 -12.695 1.00 0.00 O ATOM 0 H SER A 9 14.925 -17.415 -10.444 1.00 0.00 H new ATOM 0 HA SER A 9 12.832 -16.105 -11.984 1.00 0.00 H new ATOM 0 HB2 SER A 9 14.651 -15.766 -13.600 1.00 0.00 H new ATOM 0 HB3 SER A 9 15.173 -15.300 -11.993 1.00 0.00 H new ATOM 0 HG SER A 9 16.746 -16.613 -13.081 1.00 0.00 H new ATOM 149 N GLY A 10 12.466 -17.744 -13.977 1.00 0.00 N ATOM 150 CA GLY A 10 11.862 -18.750 -14.855 1.00 0.00 C ATOM 151 C GLY A 10 10.633 -18.168 -15.529 1.00 0.00 C ATOM 152 O GLY A 10 10.557 -16.960 -15.720 1.00 0.00 O ATOM 0 H GLY A 10 12.286 -16.789 -14.287 1.00 0.00 H new ATOM 0 HA2 GLY A 10 12.583 -19.071 -15.607 1.00 0.00 H new ATOM 0 HA3 GLY A 10 11.588 -19.633 -14.278 1.00 0.00 H new ATOM 156 N VAL A 11 9.646 -18.989 -15.882 1.00 0.00 N ATOM 157 CA VAL A 11 8.423 -18.541 -16.507 1.00 0.00 C ATOM 158 C VAL A 11 7.178 -19.128 -15.858 1.00 0.00 C ATOM 159 O VAL A 11 7.209 -20.275 -15.439 1.00 0.00 O ATOM 160 CB VAL A 11 8.441 -18.931 -17.981 1.00 0.00 C ATOM 161 CG1 VAL A 11 9.714 -18.588 -18.756 1.00 0.00 C ATOM 162 CG2 VAL A 11 7.995 -20.330 -18.385 1.00 0.00 C ATOM 0 H VAL A 11 9.683 -19.998 -15.736 1.00 0.00 H new ATOM 0 HA VAL A 11 8.377 -17.459 -16.385 1.00 0.00 H new ATOM 0 HB VAL A 11 7.635 -18.261 -18.278 1.00 0.00 H new ATOM 0 HG11 VAL A 11 9.609 -18.913 -19.791 1.00 0.00 H new ATOM 0 HG12 VAL A 11 9.877 -17.511 -18.729 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.565 -19.095 -18.301 1.00 0.00 H new ATOM 0 HG21 VAL A 11 8.071 -20.438 -19.467 1.00 0.00 H new ATOM 0 HG22 VAL A 11 8.633 -21.069 -17.901 1.00 0.00 H new ATOM 0 HG23 VAL A 11 6.961 -20.486 -18.076 1.00 0.00 H new ATOM 172 N ILE A 12 6.068 -18.388 -15.818 1.00 0.00 N ATOM 173 CA ILE A 12 4.813 -18.866 -15.206 1.00 0.00 C ATOM 174 C ILE A 12 4.259 -20.122 -15.917 1.00 0.00 C ATOM 175 O ILE A 12 4.279 -20.205 -17.145 1.00 0.00 O ATOM 176 CB ILE A 12 3.742 -17.759 -15.211 1.00 0.00 C ATOM 177 CG1 ILE A 12 4.235 -16.359 -14.788 1.00 0.00 C ATOM 178 CG2 ILE A 12 2.493 -18.129 -14.390 1.00 0.00 C ATOM 179 CD1 ILE A 12 4.933 -16.268 -13.430 1.00 0.00 C ATOM 0 H ILE A 12 6.007 -17.446 -16.204 1.00 0.00 H new ATOM 0 HA ILE A 12 5.051 -19.136 -14.177 1.00 0.00 H new ATOM 0 HB ILE A 12 3.477 -17.691 -16.266 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.922 -15.993 -15.551 1.00 0.00 H new ATOM 0 HG13 ILE A 12 3.380 -15.683 -14.779 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.775 -17.310 -14.431 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.040 -19.030 -14.803 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.779 -18.309 -13.354 1.00 0.00 H new ATOM 0 HD11 ILE A 12 5.233 -15.237 -13.244 1.00 0.00 H new ATOM 0 HD12 ILE A 12 4.249 -16.594 -12.647 1.00 0.00 H new ATOM 0 HD13 ILE A 12 5.815 -16.908 -13.431 1.00 0.00 H new ATOM 191 N VAL A 13 3.691 -21.053 -15.147 1.00 0.00 N ATOM 192 CA VAL A 13 3.104 -22.336 -15.588 1.00 0.00 C ATOM 193 C VAL A 13 1.642 -22.464 -15.152 1.00 0.00 C ATOM 194 O VAL A 13 0.819 -22.998 -15.895 1.00 0.00 O ATOM 195 CB VAL A 13 3.895 -23.531 -15.008 1.00 0.00 C ATOM 196 CG1 VAL A 13 3.393 -24.886 -15.520 1.00 0.00 C ATOM 197 CG2 VAL A 13 5.383 -23.454 -15.351 1.00 0.00 C ATOM 0 H VAL A 13 3.621 -20.931 -14.137 1.00 0.00 H new ATOM 0 HA VAL A 13 3.156 -22.349 -16.677 1.00 0.00 H new ATOM 0 HB VAL A 13 3.740 -23.461 -13.931 1.00 0.00 H new ATOM 0 HG11 VAL A 13 3.988 -25.685 -15.077 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.347 -25.015 -15.242 1.00 0.00 H new ATOM 0 HG13 VAL A 13 3.487 -24.922 -16.605 1.00 0.00 H new ATOM 0 HG21 VAL A 13 5.900 -24.313 -14.924 1.00 0.00 H new ATOM 0 HG22 VAL A 13 5.507 -23.457 -16.434 1.00 0.00 H new ATOM 0 HG23 VAL A 13 5.804 -22.536 -14.940 1.00 0.00 H new ATOM 207 N ASN A 14 1.293 -21.938 -13.970 1.00 0.00 N ATOM 208 CA ASN A 14 -0.071 -21.934 -13.444 1.00 0.00 C ATOM 209 C ASN A 14 -0.342 -20.693 -12.577 1.00 0.00 C ATOM 210 O ASN A 14 0.582 -20.096 -12.021 1.00 0.00 O ATOM 211 CB ASN A 14 -0.319 -23.227 -12.633 1.00 0.00 C ATOM 212 CG ASN A 14 -1.783 -23.631 -12.528 1.00 0.00 C ATOM 213 OD1 ASN A 14 -2.689 -22.955 -12.990 1.00 0.00 O ATOM 214 ND2 ASN A 14 -2.064 -24.743 -11.887 1.00 0.00 N ATOM 0 H ASN A 14 1.966 -21.496 -13.344 1.00 0.00 H new ATOM 0 HA ASN A 14 -0.761 -21.897 -14.287 1.00 0.00 H new ATOM 0 HB2 ASN A 14 0.239 -24.043 -13.093 1.00 0.00 H new ATOM 0 HB3 ASN A 14 0.082 -23.094 -11.628 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -3.034 -25.037 -11.778 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -1.312 -25.312 -11.499 1.00 0.00 H new ATOM 221 N LYS A 15 -1.630 -20.375 -12.418 1.00 0.00 N ATOM 222 CA LYS A 15 -2.211 -19.283 -11.652 1.00 0.00 C ATOM 223 C LYS A 15 -3.209 -19.890 -10.669 1.00 0.00 C ATOM 224 O LYS A 15 -4.366 -20.150 -11.009 1.00 0.00 O ATOM 225 CB LYS A 15 -2.903 -18.283 -12.601 1.00 0.00 C ATOM 226 CG LYS A 15 -1.956 -17.604 -13.603 1.00 0.00 C ATOM 227 CD LYS A 15 -1.308 -16.316 -13.090 1.00 0.00 C ATOM 228 CE LYS A 15 -2.294 -15.141 -13.056 1.00 0.00 C ATOM 229 NZ LYS A 15 -2.747 -14.693 -14.405 1.00 0.00 N ATOM 0 H LYS A 15 -2.356 -20.933 -12.868 1.00 0.00 H new ATOM 0 HA LYS A 15 -1.442 -18.736 -11.107 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -3.684 -18.805 -13.154 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -3.394 -17.514 -12.005 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -1.170 -18.308 -13.875 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -2.511 -17.379 -14.513 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -0.913 -16.485 -12.088 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -0.462 -16.059 -13.727 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -3.166 -15.428 -12.468 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -1.825 -14.301 -12.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -3.448 -13.932 -14.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -1.931 -14.341 -14.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -3.178 -15.494 -14.910 1.00 0.00 H new ATOM 243 N LEU A 16 -2.742 -20.155 -9.453 1.00 0.00 N ATOM 244 CA LEU A 16 -3.535 -20.767 -8.394 1.00 0.00 C ATOM 245 C LEU A 16 -4.605 -19.812 -7.856 1.00 0.00 C ATOM 246 O LEU A 16 -5.759 -20.187 -7.644 1.00 0.00 O ATOM 247 CB LEU A 16 -2.609 -21.194 -7.261 1.00 0.00 C ATOM 248 CG LEU A 16 -1.779 -22.450 -7.538 1.00 0.00 C ATOM 249 CD1 LEU A 16 -2.463 -23.536 -8.359 1.00 0.00 C ATOM 250 CD2 LEU A 16 -0.446 -22.146 -8.206 1.00 0.00 C ATOM 0 H LEU A 16 -1.784 -19.946 -9.171 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.049 -21.633 -8.812 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.930 -20.371 -7.038 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.209 -21.364 -6.367 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.633 -22.839 -6.530 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.781 -24.376 -8.492 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.359 -23.875 -7.839 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.739 -23.135 -9.334 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.096 -23.076 -8.376 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.622 -21.649 -9.160 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.144 -21.495 -7.561 1.00 0.00 H new ATOM 262 N PHE A 17 -4.184 -18.570 -7.623 1.00 0.00 N ATOM 263 CA PHE A 17 -5.027 -17.492 -7.115 1.00 0.00 C ATOM 264 C PHE A 17 -6.023 -16.969 -8.168 1.00 0.00 C ATOM 265 O PHE A 17 -6.111 -17.492 -9.283 1.00 0.00 O ATOM 266 CB PHE A 17 -4.119 -16.392 -6.538 1.00 0.00 C ATOM 267 CG PHE A 17 -3.671 -15.300 -7.499 1.00 0.00 C ATOM 268 CD1 PHE A 17 -2.680 -15.525 -8.473 1.00 0.00 C ATOM 269 CD2 PHE A 17 -4.264 -14.033 -7.407 1.00 0.00 C ATOM 270 CE1 PHE A 17 -2.348 -14.506 -9.380 1.00 0.00 C ATOM 271 CE2 PHE A 17 -3.860 -12.990 -8.251 1.00 0.00 C ATOM 272 CZ PHE A 17 -2.898 -13.226 -9.242 1.00 0.00 C ATOM 0 H PHE A 17 -3.220 -18.279 -7.787 1.00 0.00 H new ATOM 0 HA PHE A 17 -5.661 -17.876 -6.316 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.643 -15.920 -5.707 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -3.229 -16.867 -6.125 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.176 -16.479 -8.522 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -5.041 -13.859 -6.677 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.664 -14.711 -10.190 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -4.290 -12.006 -8.138 1.00 0.00 H new ATOM 0 HZ PHE A 17 -2.583 -12.426 -9.895 1.00 0.00 H new ATOM 282 N LYS A 18 -6.787 -15.935 -7.798 1.00 0.00 N ATOM 283 CA LYS A 18 -7.752 -15.243 -8.662 1.00 0.00 C ATOM 284 C LYS A 18 -7.612 -13.729 -8.563 1.00 0.00 C ATOM 285 O LYS A 18 -7.547 -13.170 -7.468 1.00 0.00 O ATOM 286 CB LYS A 18 -9.181 -15.650 -8.303 1.00 0.00 C ATOM 287 CG LYS A 18 -9.456 -17.147 -8.416 1.00 0.00 C ATOM 288 CD LYS A 18 -9.457 -17.675 -9.864 1.00 0.00 C ATOM 289 CE LYS A 18 -9.389 -19.209 -9.945 1.00 0.00 C ATOM 290 NZ LYS A 18 -8.037 -19.728 -9.593 1.00 0.00 N ATOM 0 H LYS A 18 -6.750 -15.543 -6.857 1.00 0.00 H new ATOM 0 HA LYS A 18 -7.537 -15.539 -9.689 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -9.392 -15.330 -7.283 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -9.873 -15.115 -8.954 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -8.704 -17.689 -7.843 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -10.422 -17.364 -7.960 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -10.359 -17.330 -10.370 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -8.608 -17.251 -10.400 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -10.129 -19.641 -9.272 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -9.649 -19.531 -10.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -7.710 -20.378 -10.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -7.371 -18.934 -9.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -8.085 -20.235 -8.686 1.00 0.00 H new ATOM 304 N ALA A 19 -7.576 -13.087 -9.725 1.00 0.00 N ATOM 305 CA ALA A 19 -7.361 -11.651 -9.903 1.00 0.00 C ATOM 306 C ALA A 19 -8.508 -10.795 -9.326 1.00 0.00 C ATOM 307 O ALA A 19 -9.477 -10.470 -10.015 1.00 0.00 O ATOM 308 CB ALA A 19 -7.070 -11.405 -11.389 1.00 0.00 C ATOM 0 H ALA A 19 -7.702 -13.574 -10.612 1.00 0.00 H new ATOM 0 HA ALA A 19 -6.499 -11.323 -9.321 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.905 -10.341 -11.556 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.180 -11.961 -11.682 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -7.919 -11.738 -11.986 1.00 0.00 H new ATOM 314 N GLY A 20 -8.383 -10.438 -8.044 1.00 0.00 N ATOM 315 CA GLY A 20 -9.336 -9.615 -7.287 1.00 0.00 C ATOM 316 C GLY A 20 -9.912 -10.265 -6.014 1.00 0.00 C ATOM 317 O GLY A 20 -10.601 -9.583 -5.251 1.00 0.00 O ATOM 0 H GLY A 20 -7.583 -10.726 -7.481 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -8.843 -8.684 -7.007 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -10.164 -9.351 -7.945 1.00 0.00 H new ATOM 321 N ASP A 21 -9.688 -11.565 -5.779 1.00 0.00 N ATOM 322 CA ASP A 21 -10.272 -12.301 -4.643 1.00 0.00 C ATOM 323 C ASP A 21 -9.488 -12.137 -3.306 1.00 0.00 C ATOM 324 O ASP A 21 -8.604 -11.287 -3.170 1.00 0.00 O ATOM 325 CB ASP A 21 -10.421 -13.768 -5.064 1.00 0.00 C ATOM 326 CG ASP A 21 -11.682 -14.415 -4.461 1.00 0.00 C ATOM 327 OD1 ASP A 21 -11.626 -14.860 -3.292 1.00 0.00 O ATOM 328 OD2 ASP A 21 -12.734 -14.443 -5.142 1.00 0.00 O ATOM 0 H ASP A 21 -9.093 -12.142 -6.374 1.00 0.00 H new ATOM 0 HA ASP A 21 -11.248 -11.872 -4.415 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -10.466 -13.831 -6.151 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -9.540 -14.327 -4.749 1.00 0.00 H new ATOM 333 N LYS A 22 -9.801 -12.955 -2.294 1.00 0.00 N ATOM 334 CA LYS A 22 -9.086 -13.050 -1.008 1.00 0.00 C ATOM 335 C LYS A 22 -7.915 -14.050 -1.060 1.00 0.00 C ATOM 336 O LYS A 22 -7.854 -14.914 -1.938 1.00 0.00 O ATOM 337 CB LYS A 22 -10.091 -13.451 0.090 1.00 0.00 C ATOM 338 CG LYS A 22 -11.145 -12.374 0.409 1.00 0.00 C ATOM 339 CD LYS A 22 -10.569 -11.218 1.239 1.00 0.00 C ATOM 340 CE LYS A 22 -11.603 -10.127 1.549 1.00 0.00 C ATOM 341 NZ LYS A 22 -11.828 -9.230 0.391 1.00 0.00 N ATOM 0 H LYS A 22 -10.592 -13.597 -2.347 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.651 -12.076 -0.785 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -10.602 -14.363 -0.218 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -9.541 -13.686 1.001 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -11.552 -11.981 -0.523 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -11.973 -12.830 0.952 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.174 -11.612 2.175 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -9.731 -10.774 0.701 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -12.546 -10.592 1.836 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -11.265 -9.539 2.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -12.558 -8.529 0.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -10.942 -8.740 0.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -12.143 -9.791 -0.426 1.00 0.00 H new ATOM 355 N VAL A 23 -7.028 -13.977 -0.066 1.00 0.00 N ATOM 356 CA VAL A 23 -5.953 -14.953 0.209 1.00 0.00 C ATOM 357 C VAL A 23 -5.906 -15.310 1.700 1.00 0.00 C ATOM 358 O VAL A 23 -6.115 -14.436 2.546 1.00 0.00 O ATOM 359 CB VAL A 23 -4.568 -14.464 -0.263 1.00 0.00 C ATOM 360 CG1 VAL A 23 -4.495 -14.351 -1.788 1.00 0.00 C ATOM 361 CG2 VAL A 23 -4.120 -13.123 0.328 1.00 0.00 C ATOM 0 H VAL A 23 -7.033 -13.206 0.602 1.00 0.00 H new ATOM 0 HA VAL A 23 -6.194 -15.846 -0.367 1.00 0.00 H new ATOM 0 HB VAL A 23 -3.890 -15.233 0.107 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.504 -14.004 -2.080 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.684 -15.327 -2.235 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.245 -13.641 -2.137 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.136 -12.864 -0.063 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -4.835 -12.347 0.054 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.070 -13.203 1.414 1.00 0.00 H new ATOM 371 N LYS A 24 -5.626 -16.579 2.034 1.00 0.00 N ATOM 372 CA LYS A 24 -5.279 -17.061 3.371 1.00 0.00 C ATOM 373 C LYS A 24 -3.832 -16.608 3.724 1.00 0.00 C ATOM 374 O LYS A 24 -3.177 -16.006 2.874 1.00 0.00 O ATOM 375 CB LYS A 24 -5.576 -18.568 3.338 1.00 0.00 C ATOM 376 CG LYS A 24 -5.309 -19.272 4.651 1.00 0.00 C ATOM 377 CD LYS A 24 -6.032 -18.738 5.888 1.00 0.00 C ATOM 378 CE LYS A 24 -5.641 -19.637 7.057 1.00 0.00 C ATOM 379 NZ LYS A 24 -6.580 -20.777 7.237 1.00 0.00 N ATOM 0 H LYS A 24 -5.637 -17.329 1.343 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.858 -16.642 4.194 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.620 -18.717 3.062 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.971 -19.031 2.558 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.574 -20.322 4.531 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.237 -19.234 4.843 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.747 -17.704 6.085 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.112 -18.748 5.738 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.634 -20.022 6.895 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.612 -19.046 7.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -6.271 -21.357 8.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -7.537 -20.413 7.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -6.589 -21.359 6.375 1.00 0.00 H new ATOM 393 N LYS A 25 -3.333 -16.872 4.943 1.00 0.00 N ATOM 394 CA LYS A 25 -2.018 -16.489 5.548 1.00 0.00 C ATOM 395 C LYS A 25 -0.739 -16.962 4.797 1.00 0.00 C ATOM 396 O LYS A 25 0.237 -17.371 5.426 1.00 0.00 O ATOM 397 CB LYS A 25 -1.939 -16.930 7.016 1.00 0.00 C ATOM 398 CG LYS A 25 -3.107 -16.549 7.918 1.00 0.00 C ATOM 399 CD LYS A 25 -3.155 -15.077 8.327 1.00 0.00 C ATOM 400 CE LYS A 25 -2.087 -14.637 9.335 1.00 0.00 C ATOM 401 NZ LYS A 25 -2.355 -13.245 9.796 1.00 0.00 N ATOM 0 H LYS A 25 -3.886 -17.413 5.608 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.011 -15.403 5.458 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.834 -18.015 7.038 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -1.029 -16.513 7.446 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -4.037 -16.799 7.408 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -3.064 -17.160 8.820 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -3.057 -14.465 7.430 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.137 -14.867 8.750 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.081 -15.315 10.188 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.100 -14.692 8.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.453 -12.746 9.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.919 -12.745 9.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.880 -13.272 10.693 1.00 0.00 H new ATOM 415 N GLY A 26 -0.738 -16.952 3.470 1.00 0.00 N ATOM 416 CA GLY A 26 0.303 -17.541 2.629 1.00 0.00 C ATOM 417 C GLY A 26 -0.177 -18.585 1.627 1.00 0.00 C ATOM 418 O GLY A 26 0.560 -19.522 1.316 1.00 0.00 O ATOM 0 H GLY A 26 -1.486 -16.519 2.929 1.00 0.00 H new ATOM 0 HA2 GLY A 26 0.801 -16.740 2.083 1.00 0.00 H new ATOM 0 HA3 GLY A 26 1.052 -18.000 3.275 1.00 0.00 H new ATOM 422 N GLN A 27 -1.431 -18.503 1.173 1.00 0.00 N ATOM 423 CA GLN A 27 -1.916 -19.382 0.103 1.00 0.00 C ATOM 424 C GLN A 27 -1.017 -19.364 -1.148 1.00 0.00 C ATOM 425 O GLN A 27 -0.386 -18.351 -1.472 1.00 0.00 O ATOM 426 CB GLN A 27 -3.416 -19.198 -0.149 1.00 0.00 C ATOM 427 CG GLN A 27 -3.684 -18.295 -1.321 1.00 0.00 C ATOM 428 CD GLN A 27 -5.173 -18.097 -1.563 1.00 0.00 C ATOM 429 OE1 GLN A 27 -5.996 -18.132 -0.659 1.00 0.00 O ATOM 430 NE2 GLN A 27 -5.558 -17.924 -2.802 1.00 0.00 N ATOM 0 H GLN A 27 -2.124 -17.843 1.526 1.00 0.00 H new ATOM 0 HA GLN A 27 -1.825 -20.411 0.451 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -3.875 -20.170 -0.328 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -3.885 -18.783 0.743 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -3.214 -17.327 -1.147 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -3.225 -18.717 -2.215 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -4.867 -17.896 -3.552 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -6.549 -17.817 -3.018 1.00 0.00 H new ATOM 439 N THR A 28 -0.974 -20.487 -1.862 1.00 0.00 N ATOM 440 CA THR A 28 -0.223 -20.638 -3.116 1.00 0.00 C ATOM 441 C THR A 28 -0.868 -19.830 -4.238 1.00 0.00 C ATOM 442 O THR A 28 -2.091 -19.797 -4.382 1.00 0.00 O ATOM 443 CB THR A 28 -0.147 -22.124 -3.485 1.00 0.00 C ATOM 444 OG1 THR A 28 0.327 -22.848 -2.366 1.00 0.00 O ATOM 445 CG2 THR A 28 0.843 -22.407 -4.615 1.00 0.00 C ATOM 0 H THR A 28 -1.467 -21.335 -1.584 1.00 0.00 H new ATOM 0 HA THR A 28 0.787 -20.253 -2.976 1.00 0.00 H new ATOM 0 HB THR A 28 -1.149 -22.416 -3.799 1.00 0.00 H new ATOM 0 HG1 THR A 28 0.378 -23.801 -2.590 1.00 0.00 H new ATOM 0 HG21 THR A 28 0.853 -23.475 -4.831 1.00 0.00 H new ATOM 0 HG22 THR A 28 0.543 -21.859 -5.508 1.00 0.00 H new ATOM 0 HG23 THR A 28 1.841 -22.089 -4.313 1.00 0.00 H new ATOM 453 N LEU A 29 -0.025 -19.166 -5.029 1.00 0.00 N ATOM 454 CA LEU A 29 -0.397 -18.153 -6.021 1.00 0.00 C ATOM 455 C LEU A 29 0.047 -18.515 -7.450 1.00 0.00 C ATOM 456 O LEU A 29 -0.757 -18.435 -8.376 1.00 0.00 O ATOM 457 CB LEU A 29 0.233 -16.823 -5.618 1.00 0.00 C ATOM 458 CG LEU A 29 -0.084 -16.272 -4.223 1.00 0.00 C ATOM 459 CD1 LEU A 29 0.346 -14.817 -4.238 1.00 0.00 C ATOM 460 CD2 LEU A 29 -1.547 -16.305 -3.792 1.00 0.00 C ATOM 0 H LEU A 29 0.982 -19.326 -4.995 1.00 0.00 H new ATOM 0 HA LEU A 29 -1.485 -18.091 -6.035 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.315 -16.928 -5.698 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.070 -16.074 -6.350 1.00 0.00 H new ATOM 0 HG LEU A 29 0.438 -16.915 -3.514 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.144 -14.368 -3.266 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.413 -14.755 -4.452 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.210 -14.281 -5.008 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.640 -15.889 -2.789 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.144 -15.715 -4.487 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.903 -17.335 -3.792 1.00 0.00 H new ATOM 472 N PHE A 30 1.295 -18.961 -7.627 1.00 0.00 N ATOM 473 CA PHE A 30 1.873 -19.266 -8.953 1.00 0.00 C ATOM 474 C PHE A 30 2.734 -20.533 -8.960 1.00 0.00 C ATOM 475 O PHE A 30 3.150 -21.038 -7.917 1.00 0.00 O ATOM 476 CB PHE A 30 2.727 -18.085 -9.471 1.00 0.00 C ATOM 477 CG PHE A 30 2.100 -16.711 -9.398 1.00 0.00 C ATOM 478 CD1 PHE A 30 2.157 -15.944 -8.217 1.00 0.00 C ATOM 479 CD2 PHE A 30 1.486 -16.177 -10.544 1.00 0.00 C ATOM 480 CE1 PHE A 30 1.514 -14.695 -8.134 1.00 0.00 C ATOM 481 CE2 PHE A 30 0.851 -14.932 -10.472 1.00 0.00 C ATOM 482 CZ PHE A 30 0.803 -14.225 -9.259 1.00 0.00 C ATOM 0 H PHE A 30 1.941 -19.124 -6.855 1.00 0.00 H new ATOM 0 HA PHE A 30 1.020 -19.434 -9.610 1.00 0.00 H new ATOM 0 HB2 PHE A 30 3.658 -18.065 -8.905 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.989 -18.285 -10.510 1.00 0.00 H new ATOM 0 HD1 PHE A 30 2.702 -16.320 -7.364 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.504 -16.724 -11.475 1.00 0.00 H new ATOM 0 HE1 PHE A 30 1.564 -14.108 -7.229 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.394 -14.511 -11.356 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.220 -13.319 -9.187 1.00 0.00 H new ATOM 492 N ILE A 31 3.037 -20.988 -10.172 1.00 0.00 N ATOM 493 CA ILE A 31 4.000 -22.053 -10.479 1.00 0.00 C ATOM 494 C ILE A 31 4.893 -21.519 -11.596 1.00 0.00 C ATOM 495 O ILE A 31 4.394 -20.832 -12.485 1.00 0.00 O ATOM 496 CB ILE A 31 3.282 -23.344 -10.908 1.00 0.00 C ATOM 497 CG1 ILE A 31 2.298 -23.745 -9.795 1.00 0.00 C ATOM 498 CG2 ILE A 31 4.295 -24.479 -11.205 1.00 0.00 C ATOM 499 CD1 ILE A 31 1.545 -25.045 -10.037 1.00 0.00 C ATOM 0 H ILE A 31 2.599 -20.609 -11.011 1.00 0.00 H new ATOM 0 HA ILE A 31 4.590 -22.312 -9.600 1.00 0.00 H new ATOM 0 HB ILE A 31 2.733 -23.169 -11.833 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.849 -23.831 -8.858 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.573 -22.942 -9.666 1.00 0.00 H new ATOM 0 HG21 ILE A 31 3.757 -25.378 -11.506 1.00 0.00 H new ATOM 0 HG22 ILE A 31 4.962 -24.170 -12.009 1.00 0.00 H new ATOM 0 HG23 ILE A 31 4.879 -24.689 -10.309 1.00 0.00 H new ATOM 0 HD11 ILE A 31 0.878 -25.241 -9.198 1.00 0.00 H new ATOM 0 HD12 ILE A 31 0.961 -24.962 -10.954 1.00 0.00 H new ATOM 0 HD13 ILE A 31 2.257 -25.865 -10.133 1.00 0.00 H new ATOM 511 N ILE A 32 6.181 -21.841 -11.559 1.00 0.00 N ATOM 512 CA ILE A 32 7.218 -21.414 -12.496 1.00 0.00 C ATOM 513 C ILE A 32 7.990 -22.590 -13.052 1.00 0.00 C ATOM 514 O ILE A 32 8.127 -23.602 -12.377 1.00 0.00 O ATOM 515 CB ILE A 32 8.157 -20.427 -11.768 1.00 0.00 C ATOM 516 CG1 ILE A 32 7.456 -19.066 -11.826 1.00 0.00 C ATOM 517 CG2 ILE A 32 9.588 -20.319 -12.330 1.00 0.00 C ATOM 518 CD1 ILE A 32 8.177 -17.996 -11.016 1.00 0.00 C ATOM 0 H ILE A 32 6.554 -22.446 -10.828 1.00 0.00 H new ATOM 0 HA ILE A 32 6.750 -20.921 -13.348 1.00 0.00 H new ATOM 0 HB ILE A 32 8.316 -20.797 -10.755 1.00 0.00 H new ATOM 0 HG12 ILE A 32 7.385 -18.743 -12.865 1.00 0.00 H new ATOM 0 HG13 ILE A 32 6.437 -19.171 -11.455 1.00 0.00 H new ATOM 0 HG21 ILE A 32 10.156 -19.598 -11.742 1.00 0.00 H new ATOM 0 HG22 ILE A 32 10.074 -21.293 -12.278 1.00 0.00 H new ATOM 0 HG23 ILE A 32 9.547 -19.989 -13.368 1.00 0.00 H new ATOM 0 HD11 ILE A 32 7.635 -17.054 -11.094 1.00 0.00 H new ATOM 0 HD12 ILE A 32 8.225 -18.301 -9.971 1.00 0.00 H new ATOM 0 HD13 ILE A 32 9.188 -17.866 -11.403 1.00 0.00 H new ATOM 530 N GLU A 33 8.537 -22.422 -14.255 1.00 0.00 N ATOM 531 CA GLU A 33 9.499 -23.335 -14.842 1.00 0.00 C ATOM 532 C GLU A 33 10.845 -22.621 -14.998 1.00 0.00 C ATOM 533 O GLU A 33 10.937 -21.621 -15.717 1.00 0.00 O ATOM 534 CB GLU A 33 8.937 -23.862 -16.169 1.00 0.00 C ATOM 535 CG GLU A 33 9.700 -25.112 -16.571 1.00 0.00 C ATOM 536 CD GLU A 33 9.029 -25.815 -17.762 1.00 0.00 C ATOM 537 OE1 GLU A 33 7.960 -26.452 -17.577 1.00 0.00 O ATOM 538 OE2 GLU A 33 9.565 -25.730 -18.895 1.00 0.00 O ATOM 0 H GLU A 33 8.315 -21.629 -14.856 1.00 0.00 H new ATOM 0 HA GLU A 33 9.672 -24.197 -14.198 1.00 0.00 H new ATOM 0 HB2 GLU A 33 7.876 -24.087 -16.065 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.027 -23.101 -16.944 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.725 -24.847 -16.832 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.753 -25.797 -15.724 1.00 0.00 H new ATOM 545 N GLN A 34 11.877 -23.100 -14.293 1.00 0.00 N ATOM 546 CA GLN A 34 13.206 -22.472 -14.246 1.00 0.00 C ATOM 547 C GLN A 34 13.975 -22.485 -15.578 1.00 0.00 C ATOM 548 O GLN A 34 15.009 -21.827 -15.710 1.00 0.00 O ATOM 549 CB GLN A 34 14.037 -23.146 -13.137 1.00 0.00 C ATOM 550 CG GLN A 34 13.585 -22.777 -11.718 1.00 0.00 C ATOM 551 CD GLN A 34 14.491 -23.400 -10.649 1.00 0.00 C ATOM 552 OE1 GLN A 34 15.699 -23.540 -10.807 1.00 0.00 O ATOM 553 NE2 GLN A 34 13.964 -23.802 -9.513 1.00 0.00 N ATOM 0 H GLN A 34 11.813 -23.948 -13.730 1.00 0.00 H new ATOM 0 HA GLN A 34 13.042 -21.416 -14.030 1.00 0.00 H new ATOM 0 HB2 GLN A 34 13.979 -24.228 -13.258 1.00 0.00 H new ATOM 0 HB3 GLN A 34 15.084 -22.868 -13.259 1.00 0.00 H new ATOM 0 HG2 GLN A 34 13.586 -21.693 -11.607 1.00 0.00 H new ATOM 0 HG3 GLN A 34 12.559 -23.112 -11.565 1.00 0.00 H new ATOM 0 HE21 GLN A 34 12.962 -23.699 -9.351 1.00 0.00 H new ATOM 0 HE22 GLN A 34 14.557 -24.216 -8.794 1.00 0.00 H new ATOM 1048 N HIS A 67 10.348 -27.174 -11.858 1.00 0.00 N ATOM 1049 CA HIS A 67 9.299 -26.264 -11.416 1.00 0.00 C ATOM 1050 C HIS A 67 9.512 -25.737 -9.992 1.00 0.00 C ATOM 1051 O HIS A 67 10.096 -26.430 -9.150 1.00 0.00 O ATOM 1052 CB HIS A 67 7.913 -26.941 -11.481 1.00 0.00 C ATOM 1053 CG HIS A 67 7.414 -27.297 -12.860 1.00 0.00 C ATOM 1054 ND1 HIS A 67 6.615 -28.402 -13.174 1.00 0.00 N ATOM 1055 CD2 HIS A 67 7.614 -26.570 -13.988 1.00 0.00 C ATOM 1056 CE1 HIS A 67 6.388 -28.318 -14.501 1.00 0.00 C ATOM 1057 NE2 HIS A 67 6.990 -27.234 -15.013 1.00 0.00 N ATOM 0 HA HIS A 67 9.345 -25.418 -12.102 1.00 0.00 H new ATOM 0 HB2 HIS A 67 7.947 -27.851 -10.882 1.00 0.00 H new ATOM 0 HB3 HIS A 67 7.185 -26.279 -11.013 1.00 0.00 H new ATOM 0 HD2 HIS A 67 8.162 -25.642 -14.064 1.00 0.00 H new ATOM 0 HE1 HIS A 67 5.803 -29.025 -15.071 1.00 0.00 H new ATOM 0 HE2 HIS A 67 6.985 -26.953 -15.993 1.00 0.00 H new ATOM 1065 N THR A 68 8.950 -24.559 -9.690 1.00 0.00 N ATOM 1066 CA THR A 68 8.911 -23.995 -8.327 1.00 0.00 C ATOM 1067 C THR A 68 7.590 -23.265 -8.072 1.00 0.00 C ATOM 1068 O THR A 68 7.045 -22.618 -8.961 1.00 0.00 O ATOM 1069 CB THR A 68 10.095 -23.040 -8.123 1.00 0.00 C ATOM 1070 OG1 THR A 68 11.307 -23.679 -8.463 1.00 0.00 O ATOM 1071 CG2 THR A 68 10.258 -22.558 -6.681 1.00 0.00 C ATOM 0 H THR A 68 8.505 -23.963 -10.388 1.00 0.00 H new ATOM 0 HA THR A 68 8.986 -24.815 -7.613 1.00 0.00 H new ATOM 0 HB THR A 68 9.877 -22.185 -8.763 1.00 0.00 H new ATOM 0 HG1 THR A 68 11.955 -23.558 -7.738 1.00 0.00 H new ATOM 0 HG21 THR A 68 11.115 -21.887 -6.616 1.00 0.00 H new ATOM 0 HG22 THR A 68 9.358 -22.028 -6.371 1.00 0.00 H new ATOM 0 HG23 THR A 68 10.418 -23.415 -6.027 1.00 0.00 H new ATOM 1079 N GLU A 69 7.062 -23.367 -6.853 1.00 0.00 N ATOM 1080 CA GLU A 69 5.794 -22.747 -6.430 1.00 0.00 C ATOM 1081 C GLU A 69 6.032 -21.398 -5.724 1.00 0.00 C ATOM 1082 O GLU A 69 7.084 -21.167 -5.122 1.00 0.00 O ATOM 1083 CB GLU A 69 5.025 -23.701 -5.502 1.00 0.00 C ATOM 1084 CG GLU A 69 4.620 -25.008 -6.197 1.00 0.00 C ATOM 1085 CD GLU A 69 3.878 -25.948 -5.231 1.00 0.00 C ATOM 1086 OE1 GLU A 69 4.543 -26.652 -4.433 1.00 0.00 O ATOM 1087 OE2 GLU A 69 2.628 -26.006 -5.267 1.00 0.00 O ATOM 0 H GLU A 69 7.512 -23.897 -6.107 1.00 0.00 H new ATOM 0 HA GLU A 69 5.200 -22.555 -7.324 1.00 0.00 H new ATOM 0 HB2 GLU A 69 5.642 -23.932 -4.634 1.00 0.00 H new ATOM 0 HB3 GLU A 69 4.131 -23.199 -5.132 1.00 0.00 H new ATOM 0 HG2 GLU A 69 3.982 -24.785 -7.052 1.00 0.00 H new ATOM 0 HG3 GLU A 69 5.508 -25.507 -6.583 1.00 0.00 H new ATOM 1094 N ILE A 70 5.042 -20.501 -5.786 1.00 0.00 N ATOM 1095 CA ILE A 70 5.084 -19.146 -5.224 1.00 0.00 C ATOM 1096 C ILE A 70 3.845 -18.944 -4.352 1.00 0.00 C ATOM 1097 O ILE A 70 2.750 -19.331 -4.761 1.00 0.00 O ATOM 1098 CB ILE A 70 5.175 -18.056 -6.314 1.00 0.00 C ATOM 1099 CG1 ILE A 70 6.413 -18.234 -7.211 1.00 0.00 C ATOM 1100 CG2 ILE A 70 5.253 -16.651 -5.671 1.00 0.00 C ATOM 1101 CD1 ILE A 70 6.253 -19.229 -8.363 1.00 0.00 C ATOM 0 H ILE A 70 4.155 -20.706 -6.247 1.00 0.00 H new ATOM 0 HA ILE A 70 5.988 -19.047 -4.623 1.00 0.00 H new ATOM 0 HB ILE A 70 4.276 -18.154 -6.923 1.00 0.00 H new ATOM 0 HG12 ILE A 70 6.682 -17.263 -7.627 1.00 0.00 H new ATOM 0 HG13 ILE A 70 7.248 -18.556 -6.589 1.00 0.00 H new ATOM 0 HG21 ILE A 70 5.317 -15.895 -6.454 1.00 0.00 H new ATOM 0 HG22 ILE A 70 4.361 -16.476 -5.070 1.00 0.00 H new ATOM 0 HG23 ILE A 70 6.137 -16.590 -5.036 1.00 0.00 H new ATOM 0 HD11 ILE A 70 7.181 -19.279 -8.932 1.00 0.00 H new ATOM 0 HD12 ILE A 70 6.019 -20.215 -7.962 1.00 0.00 H new ATOM 0 HD13 ILE A 70 5.444 -18.902 -9.016 1.00 0.00 H new ATOM 1113 N LYS A 71 4.009 -18.330 -3.175 1.00 0.00 N ATOM 1114 CA LYS A 71 2.984 -18.230 -2.118 1.00 0.00 C ATOM 1115 C LYS A 71 2.902 -16.810 -1.539 1.00 0.00 C ATOM 1116 O LYS A 71 3.917 -16.116 -1.474 1.00 0.00 O ATOM 1117 CB LYS A 71 3.318 -19.246 -1.006 1.00 0.00 C ATOM 1118 CG LYS A 71 3.446 -20.710 -1.481 1.00 0.00 C ATOM 1119 CD LYS A 71 3.833 -21.672 -0.345 1.00 0.00 C ATOM 1120 CE LYS A 71 2.719 -21.891 0.687 1.00 0.00 C ATOM 1121 NZ LYS A 71 1.651 -22.793 0.181 1.00 0.00 N ATOM 0 H LYS A 71 4.884 -17.873 -2.919 1.00 0.00 H new ATOM 0 HA LYS A 71 2.010 -18.455 -2.551 1.00 0.00 H new ATOM 0 HB2 LYS A 71 4.254 -18.950 -0.532 1.00 0.00 H new ATOM 0 HB3 LYS A 71 2.543 -19.194 -0.241 1.00 0.00 H new ATOM 0 HG2 LYS A 71 2.499 -21.030 -1.916 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.195 -20.767 -2.271 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.111 -22.634 -0.775 1.00 0.00 H new ATOM 0 HD3 LYS A 71 4.715 -21.283 0.163 1.00 0.00 H new ATOM 0 HE2 LYS A 71 3.147 -22.313 1.596 1.00 0.00 H new ATOM 0 HE3 LYS A 71 2.282 -20.929 0.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 0.812 -22.714 0.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 1.399 -22.522 -0.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 1.993 -23.775 0.189 1.00 0.00 H new ATOM 1135 N ALA A 72 1.709 -16.389 -1.113 1.00 0.00 N ATOM 1136 CA ALA A 72 1.464 -15.098 -0.451 1.00 0.00 C ATOM 1137 C ALA A 72 2.285 -14.933 0.858 1.00 0.00 C ATOM 1138 O ALA A 72 2.778 -15.916 1.422 1.00 0.00 O ATOM 1139 CB ALA A 72 -0.047 -14.979 -0.195 1.00 0.00 C ATOM 0 H ALA A 72 0.863 -16.948 -1.220 1.00 0.00 H new ATOM 0 HA ALA A 72 1.799 -14.290 -1.102 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -0.259 -14.029 0.296 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -0.581 -15.024 -1.144 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.373 -15.799 0.445 1.00 0.00 H new ATOM 1145 N PRO A 73 2.403 -13.704 1.386 1.00 0.00 N ATOM 1146 CA PRO A 73 2.980 -13.459 2.716 1.00 0.00 C ATOM 1147 C PRO A 73 2.005 -13.679 3.888 1.00 0.00 C ATOM 1148 O PRO A 73 2.391 -14.188 4.942 1.00 0.00 O ATOM 1149 CB PRO A 73 3.349 -11.978 2.677 1.00 0.00 C ATOM 1150 CG PRO A 73 2.344 -11.357 1.715 1.00 0.00 C ATOM 1151 CD PRO A 73 2.175 -12.453 0.667 1.00 0.00 C ATOM 0 HA PRO A 73 3.802 -14.152 2.894 1.00 0.00 H new ATOM 0 HB2 PRO A 73 3.282 -11.526 3.667 1.00 0.00 H new ATOM 0 HB3 PRO A 73 4.372 -11.833 2.330 1.00 0.00 H new ATOM 0 HG2 PRO A 73 1.402 -11.119 2.209 1.00 0.00 H new ATOM 0 HG3 PRO A 73 2.718 -10.431 1.278 1.00 0.00 H new ATOM 0 HD2 PRO A 73 1.178 -12.427 0.227 1.00 0.00 H new ATOM 0 HD3 PRO A 73 2.887 -12.332 -0.149 1.00 0.00 H new ATOM 1159 N PHE A 74 0.752 -13.261 3.711 1.00 0.00 N ATOM 1160 CA PHE A 74 -0.260 -13.097 4.758 1.00 0.00 C ATOM 1161 C PHE A 74 -1.700 -13.091 4.212 1.00 0.00 C ATOM 1162 O PHE A 74 -1.913 -13.133 3.001 1.00 0.00 O ATOM 1163 CB PHE A 74 0.052 -11.785 5.509 1.00 0.00 C ATOM 1164 CG PHE A 74 0.194 -10.531 4.635 1.00 0.00 C ATOM 1165 CD1 PHE A 74 -0.888 -10.034 3.877 1.00 0.00 C ATOM 1166 CD2 PHE A 74 1.444 -9.882 4.509 1.00 0.00 C ATOM 1167 CE1 PHE A 74 -0.732 -8.931 3.021 1.00 0.00 C ATOM 1168 CE2 PHE A 74 1.598 -8.763 3.665 1.00 0.00 C ATOM 1169 CZ PHE A 74 0.507 -8.282 2.921 1.00 0.00 C ATOM 0 H PHE A 74 0.396 -13.015 2.787 1.00 0.00 H new ATOM 0 HA PHE A 74 -0.211 -13.953 5.430 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -0.739 -11.609 6.238 1.00 0.00 H new ATOM 0 HB3 PHE A 74 0.977 -11.921 6.069 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -1.854 -10.511 3.957 1.00 0.00 H new ATOM 0 HD2 PHE A 74 2.293 -10.249 5.067 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -1.570 -8.581 2.437 1.00 0.00 H new ATOM 0 HE2 PHE A 74 2.558 -8.274 3.590 1.00 0.00 H new ATOM 0 HZ PHE A 74 0.622 -7.421 2.279 1.00 0.00 H new ATOM 1179 N ASP A 75 -2.695 -13.027 5.105 1.00 0.00 N ATOM 1180 CA ASP A 75 -4.120 -12.920 4.766 1.00 0.00 C ATOM 1181 C ASP A 75 -4.520 -11.515 4.292 1.00 0.00 C ATOM 1182 O ASP A 75 -4.074 -10.499 4.834 1.00 0.00 O ATOM 1183 CB ASP A 75 -5.015 -13.276 5.962 1.00 0.00 C ATOM 1184 CG ASP A 75 -4.875 -12.316 7.165 1.00 0.00 C ATOM 1185 OD1 ASP A 75 -3.734 -12.114 7.651 1.00 0.00 O ATOM 1186 OD2 ASP A 75 -5.906 -11.793 7.648 1.00 0.00 O ATOM 0 H ASP A 75 -2.527 -13.049 6.111 1.00 0.00 H new ATOM 0 HA ASP A 75 -4.268 -13.629 3.951 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -6.055 -13.281 5.635 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -4.779 -14.288 6.290 1.00 0.00 H new ATOM 1191 N GLY A 76 -5.445 -11.445 3.339 1.00 0.00 N ATOM 1192 CA GLY A 76 -5.881 -10.175 2.773 1.00 0.00 C ATOM 1193 C GLY A 76 -6.658 -10.340 1.475 1.00 0.00 C ATOM 1194 O GLY A 76 -7.230 -11.395 1.196 1.00 0.00 O ATOM 0 H GLY A 76 -5.910 -12.261 2.941 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -6.504 -9.654 3.500 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -5.010 -9.546 2.591 1.00 0.00 H new ATOM 1198 N THR A 77 -6.628 -9.284 0.668 1.00 0.00 N ATOM 1199 CA THR A 77 -7.180 -9.244 -0.693 1.00 0.00 C ATOM 1200 C THR A 77 -6.022 -9.102 -1.677 1.00 0.00 C ATOM 1201 O THR A 77 -4.929 -8.663 -1.317 1.00 0.00 O ATOM 1202 CB THR A 77 -8.173 -8.076 -0.813 1.00 0.00 C ATOM 1203 OG1 THR A 77 -9.159 -8.174 0.194 1.00 0.00 O ATOM 1204 CG2 THR A 77 -8.948 -7.999 -2.129 1.00 0.00 C ATOM 0 H THR A 77 -6.205 -8.399 0.948 1.00 0.00 H new ATOM 0 HA THR A 77 -7.723 -10.161 -0.919 1.00 0.00 H new ATOM 0 HB THR A 77 -7.539 -7.193 -0.734 1.00 0.00 H new ATOM 0 HG1 THR A 77 -9.689 -7.350 0.215 1.00 0.00 H new ATOM 0 HG21 THR A 77 -9.618 -7.140 -2.107 1.00 0.00 H new ATOM 0 HG22 THR A 77 -8.248 -7.892 -2.958 1.00 0.00 H new ATOM 0 HG23 THR A 77 -9.531 -8.911 -2.262 1.00 0.00 H new ATOM 1212 N ILE A 78 -6.241 -9.489 -2.929 1.00 0.00 N ATOM 1213 CA ILE A 78 -5.212 -9.498 -3.972 1.00 0.00 C ATOM 1214 C ILE A 78 -5.673 -8.633 -5.146 1.00 0.00 C ATOM 1215 O ILE A 78 -6.860 -8.615 -5.484 1.00 0.00 O ATOM 1216 CB ILE A 78 -4.866 -10.963 -4.281 1.00 0.00 C ATOM 1217 CG1 ILE A 78 -3.454 -11.071 -4.858 1.00 0.00 C ATOM 1218 CG2 ILE A 78 -5.911 -11.655 -5.170 1.00 0.00 C ATOM 1219 CD1 ILE A 78 -2.829 -12.448 -4.679 1.00 0.00 C ATOM 0 H ILE A 78 -7.152 -9.811 -3.257 1.00 0.00 H new ATOM 0 HA ILE A 78 -4.274 -9.038 -3.662 1.00 0.00 H new ATOM 0 HB ILE A 78 -4.889 -11.505 -3.335 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -3.485 -10.830 -5.921 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -2.817 -10.327 -4.381 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -5.609 -12.686 -5.351 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -6.879 -11.643 -4.670 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -5.987 -11.127 -6.120 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -1.828 -12.452 -5.111 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -2.766 -12.684 -3.617 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -3.444 -13.195 -5.181 1.00 0.00 H new ATOM 1231 N GLY A 79 -4.753 -7.862 -5.727 1.00 0.00 N ATOM 1232 CA GLY A 79 -5.102 -6.777 -6.655 1.00 0.00 C ATOM 1233 C GLY A 79 -4.726 -7.070 -8.095 1.00 0.00 C ATOM 1234 O GLY A 79 -3.578 -6.847 -8.481 1.00 0.00 O ATOM 0 H GLY A 79 -3.751 -7.968 -5.571 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.175 -6.592 -6.598 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -4.603 -5.862 -6.336 1.00 0.00 H new ATOM 1238 N ASP A 80 -5.677 -7.540 -8.901 1.00 0.00 N ATOM 1239 CA ASP A 80 -5.480 -8.068 -10.224 1.00 0.00 C ATOM 1240 C ASP A 80 -4.454 -9.218 -10.303 1.00 0.00 C ATOM 1241 O ASP A 80 -4.413 -10.073 -9.435 1.00 0.00 O ATOM 1242 CB ASP A 80 -5.357 -6.906 -11.208 1.00 0.00 C ATOM 1243 CG ASP A 80 -6.174 -5.648 -10.852 1.00 0.00 C ATOM 1244 OD1 ASP A 80 -7.428 -5.732 -10.809 1.00 0.00 O ATOM 1245 OD2 ASP A 80 -5.572 -4.567 -10.644 1.00 0.00 O ATOM 0 H ASP A 80 -6.657 -7.558 -8.619 1.00 0.00 H new ATOM 0 HA ASP A 80 -6.361 -8.622 -10.549 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -4.306 -6.626 -11.284 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -5.667 -7.253 -12.194 1.00 0.00 H new ATOM 1250 N ALA A 81 -3.707 -9.261 -11.389 1.00 0.00 N ATOM 1251 CA ALA A 81 -2.551 -10.078 -11.742 1.00 0.00 C ATOM 1252 C ALA A 81 -1.694 -9.263 -12.735 1.00 0.00 C ATOM 1253 O ALA A 81 -2.219 -8.405 -13.451 1.00 0.00 O ATOM 1254 CB ALA A 81 -2.998 -11.405 -12.367 1.00 0.00 C ATOM 0 H ALA A 81 -3.928 -8.631 -12.160 1.00 0.00 H new ATOM 0 HA ALA A 81 -1.970 -10.322 -10.853 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.121 -12.000 -12.623 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -3.613 -11.954 -11.654 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.577 -11.206 -13.268 1.00 0.00 H new ATOM 1260 N LEU A 82 -0.390 -9.534 -12.814 1.00 0.00 N ATOM 1261 CA LEU A 82 0.571 -8.814 -13.662 1.00 0.00 C ATOM 1262 C LEU A 82 1.367 -9.749 -14.609 1.00 0.00 C ATOM 1263 O LEU A 82 2.271 -9.310 -15.318 1.00 0.00 O ATOM 1264 CB LEU A 82 1.478 -7.941 -12.773 1.00 0.00 C ATOM 1265 CG LEU A 82 0.811 -6.901 -11.861 1.00 0.00 C ATOM 1266 CD1 LEU A 82 1.806 -6.357 -10.837 1.00 0.00 C ATOM 1267 CD2 LEU A 82 0.351 -5.770 -12.743 1.00 0.00 C ATOM 0 H LEU A 82 0.043 -10.283 -12.274 1.00 0.00 H new ATOM 0 HA LEU A 82 0.015 -8.161 -14.335 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.069 -8.607 -12.144 1.00 0.00 H new ATOM 0 HB3 LEU A 82 2.176 -7.415 -13.424 1.00 0.00 H new ATOM 0 HG LEU A 82 -0.018 -7.358 -11.320 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.310 -5.622 -10.203 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.178 -7.176 -10.221 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.640 -5.885 -11.356 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -0.131 -5.006 -12.133 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.209 -5.337 -13.257 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -0.359 -6.148 -13.479 1.00 0.00 H new ATOM 1279 N VAL A 83 1.015 -11.041 -14.629 1.00 0.00 N ATOM 1280 CA VAL A 83 1.662 -12.138 -15.384 1.00 0.00 C ATOM 1281 C VAL A 83 0.641 -13.184 -15.825 1.00 0.00 C ATOM 1282 O VAL A 83 -0.438 -13.312 -15.239 1.00 0.00 O ATOM 1283 CB VAL A 83 2.756 -12.827 -14.535 1.00 0.00 C ATOM 1284 CG1 VAL A 83 3.835 -11.846 -14.080 1.00 0.00 C ATOM 1285 CG2 VAL A 83 2.220 -13.534 -13.279 1.00 0.00 C ATOM 0 H VAL A 83 0.220 -11.377 -14.085 1.00 0.00 H new ATOM 0 HA VAL A 83 2.119 -11.691 -16.267 1.00 0.00 H new ATOM 0 HB VAL A 83 3.173 -13.575 -15.209 1.00 0.00 H new ATOM 0 HG11 VAL A 83 4.581 -12.375 -13.487 1.00 0.00 H new ATOM 0 HG12 VAL A 83 4.313 -11.401 -14.952 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.381 -11.061 -13.475 1.00 0.00 H new ATOM 0 HG21 VAL A 83 3.048 -13.992 -12.738 1.00 0.00 H new ATOM 0 HG22 VAL A 83 1.724 -12.807 -12.636 1.00 0.00 H new ATOM 0 HG23 VAL A 83 1.507 -14.305 -13.572 1.00 0.00 H new ATOM 1295 N ASN A 84 0.996 -13.974 -16.831 1.00 0.00 N ATOM 1296 CA ASN A 84 0.204 -15.038 -17.420 1.00 0.00 C ATOM 1297 C ASN A 84 1.096 -16.259 -17.670 1.00 0.00 C ATOM 1298 O ASN A 84 2.318 -16.159 -17.666 1.00 0.00 O ATOM 1299 CB ASN A 84 -0.334 -14.569 -18.779 1.00 0.00 C ATOM 1300 CG ASN A 84 -0.887 -13.159 -18.822 1.00 0.00 C ATOM 1301 OD1 ASN A 84 -2.064 -12.917 -18.602 1.00 0.00 O ATOM 1302 ND2 ASN A 84 -0.055 -12.191 -19.115 1.00 0.00 N ATOM 0 H ASN A 84 1.905 -13.879 -17.284 1.00 0.00 H new ATOM 0 HA ASN A 84 -0.613 -15.292 -16.745 1.00 0.00 H new ATOM 0 HB2 ASN A 84 0.469 -14.646 -19.512 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -1.119 -15.256 -19.094 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -0.389 -11.228 -19.161 1.00 0.00 H new ATOM 0 HD22 ASN A 84 0.927 -12.400 -19.298 1.00 0.00 H new ATOM 1309 N ILE A 85 0.475 -17.397 -17.950 1.00 0.00 N ATOM 1310 CA ILE A 85 1.109 -18.674 -18.284 1.00 0.00 C ATOM 1311 C ILE A 85 2.040 -18.481 -19.494 1.00 0.00 C ATOM 1312 O ILE A 85 1.582 -18.341 -20.634 1.00 0.00 O ATOM 1313 CB ILE A 85 -0.013 -19.696 -18.544 1.00 0.00 C ATOM 1314 CG1 ILE A 85 -0.846 -20.048 -17.283 1.00 0.00 C ATOM 1315 CG2 ILE A 85 0.549 -21.027 -19.084 1.00 0.00 C ATOM 1316 CD1 ILE A 85 -1.698 -18.942 -16.644 1.00 0.00 C ATOM 0 H ILE A 85 -0.543 -17.462 -17.951 1.00 0.00 H new ATOM 0 HA ILE A 85 1.732 -19.047 -17.471 1.00 0.00 H new ATOM 0 HB ILE A 85 -0.656 -19.204 -19.274 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -1.511 -20.872 -17.542 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -0.159 -20.420 -16.523 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -0.270 -21.725 -19.256 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.075 -20.846 -20.022 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.240 -21.452 -18.356 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -2.220 -19.341 -15.774 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -1.053 -18.119 -16.334 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -2.426 -18.579 -17.369 1.00 0.00 H new ATOM 1328 N GLY A 86 3.346 -18.429 -19.234 1.00 0.00 N ATOM 1329 CA GLY A 86 4.412 -18.271 -20.228 1.00 0.00 C ATOM 1330 C GLY A 86 5.237 -16.995 -20.042 1.00 0.00 C ATOM 1331 O GLY A 86 6.276 -16.854 -20.686 1.00 0.00 O ATOM 0 H GLY A 86 3.708 -18.499 -18.283 1.00 0.00 H new ATOM 0 HA2 GLY A 86 5.076 -19.134 -20.177 1.00 0.00 H new ATOM 0 HA3 GLY A 86 3.971 -18.267 -21.225 1.00 0.00 H new ATOM 1335 N ASP A 87 4.813 -16.069 -19.173 1.00 0.00 N ATOM 1336 CA ASP A 87 5.573 -14.850 -18.890 1.00 0.00 C ATOM 1337 C ASP A 87 6.894 -15.162 -18.162 1.00 0.00 C ATOM 1338 O ASP A 87 6.889 -15.745 -17.077 1.00 0.00 O ATOM 1339 CB ASP A 87 4.728 -13.864 -18.063 1.00 0.00 C ATOM 1340 CG ASP A 87 3.924 -12.890 -18.939 1.00 0.00 C ATOM 1341 OD1 ASP A 87 4.542 -12.140 -19.732 1.00 0.00 O ATOM 1342 OD2 ASP A 87 2.678 -12.845 -18.804 1.00 0.00 O ATOM 0 H ASP A 87 3.940 -16.144 -18.651 1.00 0.00 H new ATOM 0 HA ASP A 87 5.819 -14.388 -19.846 1.00 0.00 H new ATOM 0 HB2 ASP A 87 4.043 -14.424 -17.427 1.00 0.00 H new ATOM 0 HB3 ASP A 87 5.383 -13.296 -17.403 1.00 0.00 H new ATOM 1347 N TYR A 88 8.029 -14.756 -18.745 1.00 0.00 N ATOM 1348 CA TYR A 88 9.332 -14.762 -18.075 1.00 0.00 C ATOM 1349 C TYR A 88 9.356 -13.767 -16.906 1.00 0.00 C ATOM 1350 O TYR A 88 8.892 -12.627 -17.024 1.00 0.00 O ATOM 1351 CB TYR A 88 10.444 -14.484 -19.090 1.00 0.00 C ATOM 1352 CG TYR A 88 11.795 -14.427 -18.402 1.00 0.00 C ATOM 1353 CD1 TYR A 88 12.354 -15.617 -17.907 1.00 0.00 C ATOM 1354 CD2 TYR A 88 12.402 -13.190 -18.106 1.00 0.00 C ATOM 1355 CE1 TYR A 88 13.483 -15.575 -17.081 1.00 0.00 C ATOM 1356 CE2 TYR A 88 13.562 -13.147 -17.308 1.00 0.00 C ATOM 1357 CZ TYR A 88 14.099 -14.340 -16.775 1.00 0.00 C ATOM 1358 OH TYR A 88 15.199 -14.309 -15.976 1.00 0.00 O ATOM 0 H TYR A 88 8.067 -14.411 -19.704 1.00 0.00 H new ATOM 0 HA TYR A 88 9.507 -15.750 -17.650 1.00 0.00 H new ATOM 0 HB2 TYR A 88 10.451 -15.263 -19.852 1.00 0.00 H new ATOM 0 HB3 TYR A 88 10.250 -13.541 -19.600 1.00 0.00 H new ATOM 0 HD1 TYR A 88 11.911 -16.568 -18.165 1.00 0.00 H new ATOM 0 HD2 TYR A 88 11.978 -12.275 -18.491 1.00 0.00 H new ATOM 0 HE1 TYR A 88 13.886 -16.491 -16.675 1.00 0.00 H new ATOM 0 HE2 TYR A 88 14.041 -12.201 -17.103 1.00 0.00 H new ATOM 0 HH TYR A 88 15.498 -13.382 -15.867 1.00 0.00 H new ATOM 1368 N VAL A 89 9.935 -14.215 -15.793 1.00 0.00 N ATOM 1369 CA VAL A 89 10.036 -13.499 -14.525 1.00 0.00 C ATOM 1370 C VAL A 89 11.369 -13.784 -13.831 1.00 0.00 C ATOM 1371 O VAL A 89 12.010 -14.813 -14.048 1.00 0.00 O ATOM 1372 CB VAL A 89 8.876 -13.840 -13.570 1.00 0.00 C ATOM 1373 CG1 VAL A 89 7.544 -13.301 -14.094 1.00 0.00 C ATOM 1374 CG2 VAL A 89 8.722 -15.338 -13.287 1.00 0.00 C ATOM 0 H VAL A 89 10.369 -15.137 -15.751 1.00 0.00 H new ATOM 0 HA VAL A 89 9.978 -12.438 -14.767 1.00 0.00 H new ATOM 0 HB VAL A 89 9.140 -13.353 -12.631 1.00 0.00 H new ATOM 0 HG11 VAL A 89 6.747 -13.559 -13.396 1.00 0.00 H new ATOM 0 HG12 VAL A 89 7.603 -12.217 -14.192 1.00 0.00 H new ATOM 0 HG13 VAL A 89 7.331 -13.742 -15.068 1.00 0.00 H new ATOM 0 HG21 VAL A 89 7.885 -15.496 -12.607 1.00 0.00 H new ATOM 0 HG22 VAL A 89 8.535 -15.867 -14.221 1.00 0.00 H new ATOM 0 HG23 VAL A 89 9.636 -15.718 -12.831 1.00 0.00 H new ATOM 1384 N SER A 90 11.764 -12.880 -12.946 1.00 0.00 N ATOM 1385 CA SER A 90 13.012 -12.933 -12.181 1.00 0.00 C ATOM 1386 C SER A 90 12.748 -12.582 -10.712 1.00 0.00 C ATOM 1387 O SER A 90 11.864 -11.780 -10.402 1.00 0.00 O ATOM 1388 CB SER A 90 14.009 -12.000 -12.848 1.00 0.00 C ATOM 1389 OG SER A 90 15.162 -11.831 -12.050 1.00 0.00 O ATOM 0 H SER A 90 11.205 -12.055 -12.729 1.00 0.00 H new ATOM 0 HA SER A 90 13.433 -13.938 -12.177 1.00 0.00 H new ATOM 0 HB2 SER A 90 14.292 -12.402 -13.821 1.00 0.00 H new ATOM 0 HB3 SER A 90 13.542 -11.032 -13.027 1.00 0.00 H new ATOM 0 HG SER A 90 15.261 -10.885 -11.814 1.00 0.00 H new ATOM 1395 N ALA A 91 13.521 -13.185 -9.803 1.00 0.00 N ATOM 1396 CA ALA A 91 13.231 -13.242 -8.367 1.00 0.00 C ATOM 1397 C ALA A 91 13.057 -11.962 -7.561 1.00 0.00 C ATOM 1398 O ALA A 91 12.374 -11.981 -6.531 1.00 0.00 O ATOM 1399 CB ALA A 91 14.185 -14.237 -7.702 1.00 0.00 C ATOM 0 H ALA A 91 14.389 -13.659 -10.053 1.00 0.00 H new ATOM 0 HA ALA A 91 12.194 -13.578 -8.344 1.00 0.00 H new ATOM 0 HB1 ALA A 91 13.975 -14.284 -6.634 1.00 0.00 H new ATOM 0 HB2 ALA A 91 14.047 -15.224 -8.143 1.00 0.00 H new ATOM 0 HB3 ALA A 91 15.214 -13.912 -7.855 1.00 0.00 H new ATOM 1405 N SER A 92 13.620 -10.854 -8.016 1.00 0.00 N ATOM 1406 CA SER A 92 13.235 -9.546 -7.480 1.00 0.00 C ATOM 1407 C SER A 92 12.919 -8.517 -8.576 1.00 0.00 C ATOM 1408 O SER A 92 12.502 -7.396 -8.281 1.00 0.00 O ATOM 1409 CB SER A 92 14.282 -9.032 -6.483 1.00 0.00 C ATOM 1410 OG SER A 92 15.548 -8.877 -7.108 1.00 0.00 O ATOM 0 H SER A 92 14.334 -10.826 -8.743 1.00 0.00 H new ATOM 0 HA SER A 92 12.300 -9.688 -6.937 1.00 0.00 H new ATOM 0 HB2 SER A 92 13.957 -8.077 -6.069 1.00 0.00 H new ATOM 0 HB3 SER A 92 14.367 -9.728 -5.649 1.00 0.00 H new ATOM 0 HG SER A 92 16.198 -8.547 -6.453 1.00 0.00 H new ATOM 1416 N THR A 93 13.093 -8.890 -9.847 1.00 0.00 N ATOM 1417 CA THR A 93 13.070 -7.953 -10.995 1.00 0.00 C ATOM 1418 C THR A 93 11.720 -7.870 -11.714 1.00 0.00 C ATOM 1419 O THR A 93 11.479 -6.928 -12.472 1.00 0.00 O ATOM 1420 CB THR A 93 14.194 -8.288 -11.997 1.00 0.00 C ATOM 1421 OG1 THR A 93 15.391 -8.602 -11.309 1.00 0.00 O ATOM 1422 CG2 THR A 93 14.540 -7.160 -12.970 1.00 0.00 C ATOM 0 H THR A 93 13.256 -9.859 -10.120 1.00 0.00 H new ATOM 0 HA THR A 93 13.240 -6.965 -10.567 1.00 0.00 H new ATOM 0 HB THR A 93 13.801 -9.128 -12.569 1.00 0.00 H new ATOM 0 HG1 THR A 93 16.095 -8.814 -11.957 1.00 0.00 H new ATOM 0 HG21 THR A 93 15.339 -7.486 -13.635 1.00 0.00 H new ATOM 0 HG22 THR A 93 13.659 -6.905 -13.559 1.00 0.00 H new ATOM 0 HG23 THR A 93 14.868 -6.284 -12.410 1.00 0.00 H new ATOM 1430 N THR A 94 10.811 -8.828 -11.489 1.00 0.00 N ATOM 1431 CA THR A 94 9.555 -8.971 -12.232 1.00 0.00 C ATOM 1432 C THR A 94 8.471 -9.327 -11.238 1.00 0.00 C ATOM 1433 O THR A 94 8.563 -10.272 -10.457 1.00 0.00 O ATOM 1434 CB THR A 94 9.648 -10.034 -13.329 1.00 0.00 C ATOM 1435 OG1 THR A 94 10.948 -10.154 -13.878 1.00 0.00 O ATOM 1436 CG2 THR A 94 8.699 -9.692 -14.469 1.00 0.00 C ATOM 0 H THR A 94 10.933 -9.540 -10.769 1.00 0.00 H new ATOM 0 HA THR A 94 9.328 -8.032 -12.736 1.00 0.00 H new ATOM 0 HB THR A 94 9.383 -10.979 -12.854 1.00 0.00 H new ATOM 0 HG1 THR A 94 10.883 -10.440 -14.813 1.00 0.00 H new ATOM 0 HG21 THR A 94 8.772 -10.454 -15.245 1.00 0.00 H new ATOM 0 HG22 THR A 94 7.677 -9.655 -14.093 1.00 0.00 H new ATOM 0 HG23 THR A 94 8.967 -8.722 -14.887 1.00 0.00 H new ATOM 1444 N GLU A 95 7.462 -8.478 -11.243 1.00 0.00 N ATOM 1445 CA GLU A 95 6.455 -8.401 -10.212 1.00 0.00 C ATOM 1446 C GLU A 95 5.141 -9.041 -10.666 1.00 0.00 C ATOM 1447 O GLU A 95 4.661 -8.799 -11.773 1.00 0.00 O ATOM 1448 CB GLU A 95 6.374 -6.951 -9.712 1.00 0.00 C ATOM 1449 CG GLU A 95 7.469 -5.987 -10.186 1.00 0.00 C ATOM 1450 CD GLU A 95 7.450 -4.635 -9.450 1.00 0.00 C ATOM 1451 OE1 GLU A 95 6.581 -3.783 -9.748 1.00 0.00 O ATOM 1452 OE2 GLU A 95 8.340 -4.421 -8.585 1.00 0.00 O ATOM 0 H GLU A 95 7.319 -7.801 -11.993 1.00 0.00 H new ATOM 0 HA GLU A 95 6.726 -9.000 -9.343 1.00 0.00 H new ATOM 0 HB2 GLU A 95 5.410 -6.542 -10.014 1.00 0.00 H new ATOM 0 HB3 GLU A 95 6.386 -6.968 -8.622 1.00 0.00 H new ATOM 0 HG2 GLU A 95 8.443 -6.456 -10.045 1.00 0.00 H new ATOM 0 HG3 GLU A 95 7.352 -5.812 -11.255 1.00 0.00 H new ATOM 1459 N LEU A 96 4.574 -9.876 -9.798 1.00 0.00 N ATOM 1460 CA LEU A 96 3.495 -10.805 -10.174 1.00 0.00 C ATOM 1461 C LEU A 96 2.075 -10.299 -9.913 1.00 0.00 C ATOM 1462 O LEU A 96 1.187 -10.578 -10.715 1.00 0.00 O ATOM 1463 CB LEU A 96 3.688 -12.125 -9.425 1.00 0.00 C ATOM 1464 CG LEU A 96 5.112 -12.720 -9.479 1.00 0.00 C ATOM 1465 CD1 LEU A 96 5.287 -13.780 -8.404 1.00 0.00 C ATOM 1466 CD2 LEU A 96 5.443 -13.309 -10.840 1.00 0.00 C ATOM 0 H LEU A 96 4.844 -9.933 -8.816 1.00 0.00 H new ATOM 0 HA LEU A 96 3.577 -10.922 -11.255 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.417 -11.973 -8.380 1.00 0.00 H new ATOM 0 HB3 LEU A 96 2.991 -12.858 -9.832 1.00 0.00 H new ATOM 0 HG LEU A 96 5.804 -11.898 -9.299 1.00 0.00 H new ATOM 0 HD11 LEU A 96 6.296 -14.189 -8.457 1.00 0.00 H new ATOM 0 HD12 LEU A 96 5.127 -13.333 -7.423 1.00 0.00 H new ATOM 0 HD13 LEU A 96 4.563 -14.580 -8.560 1.00 0.00 H new ATOM 0 HD21 LEU A 96 6.455 -13.714 -10.825 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.737 -14.106 -11.073 1.00 0.00 H new ATOM 0 HD23 LEU A 96 5.375 -12.530 -11.600 1.00 0.00 H new ATOM 1478 N VAL A 97 1.869 -9.593 -8.796 1.00 0.00 N ATOM 1479 CA VAL A 97 0.586 -9.032 -8.312 1.00 0.00 C ATOM 1480 C VAL A 97 0.775 -8.369 -6.935 1.00 0.00 C ATOM 1481 O VAL A 97 1.676 -8.762 -6.198 1.00 0.00 O ATOM 1482 CB VAL A 97 -0.529 -10.089 -8.242 1.00 0.00 C ATOM 1483 CG1 VAL A 97 -0.317 -11.238 -7.294 1.00 0.00 C ATOM 1484 CG2 VAL A 97 -1.824 -9.451 -7.806 1.00 0.00 C ATOM 0 H VAL A 97 2.637 -9.380 -8.160 1.00 0.00 H new ATOM 0 HA VAL A 97 0.274 -8.280 -9.037 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.537 -10.491 -9.255 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.174 -11.910 -7.340 1.00 0.00 H new ATOM 0 HG12 VAL A 97 0.585 -11.780 -7.576 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -0.209 -10.857 -6.279 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -2.606 -10.209 -7.760 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -1.695 -9.003 -6.821 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -2.108 -8.679 -8.521 1.00 0.00 H new ATOM 1494 N ARG A 98 -0.055 -7.390 -6.536 1.00 0.00 N ATOM 1495 CA ARG A 98 -0.072 -6.906 -5.142 1.00 0.00 C ATOM 1496 C ARG A 98 -0.886 -7.770 -4.176 1.00 0.00 C ATOM 1497 O ARG A 98 -1.988 -8.184 -4.530 1.00 0.00 O ATOM 1498 CB ARG A 98 -0.542 -5.453 -5.044 1.00 0.00 C ATOM 1499 CG ARG A 98 -1.992 -5.124 -5.413 1.00 0.00 C ATOM 1500 CD ARG A 98 -2.325 -3.867 -4.609 1.00 0.00 C ATOM 1501 NE ARG A 98 -3.539 -3.182 -5.077 1.00 0.00 N ATOM 1502 CZ ARG A 98 -4.158 -2.206 -4.429 1.00 0.00 C ATOM 1503 NH1 ARG A 98 -3.730 -1.752 -3.286 1.00 0.00 N ATOM 1504 NH2 ARG A 98 -5.227 -1.653 -4.932 1.00 0.00 N ATOM 0 H ARG A 98 -0.718 -6.921 -7.152 1.00 0.00 H new ATOM 0 HA ARG A 98 0.969 -6.978 -4.828 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -0.378 -5.121 -4.019 1.00 0.00 H new ATOM 0 HB3 ARG A 98 0.106 -4.852 -5.682 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -2.097 -4.948 -6.484 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -2.661 -5.946 -5.158 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -2.450 -4.137 -3.560 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -1.483 -3.177 -4.662 1.00 0.00 H new ATOM 0 HE ARG A 98 -3.935 -3.481 -5.968 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -2.892 -2.149 -2.861 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -4.233 -0.999 -2.816 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -5.592 -1.971 -5.830 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -5.698 -0.902 -4.427 1.00 0.00 H new ATOM 1518 N VAL A 99 -0.429 -7.939 -2.930 1.00 0.00 N ATOM 1519 CA VAL A 99 -1.246 -8.568 -1.853 1.00 0.00 C ATOM 1520 C VAL A 99 -1.448 -7.548 -0.727 1.00 0.00 C ATOM 1521 O VAL A 99 -0.506 -6.856 -0.339 1.00 0.00 O ATOM 1522 CB VAL A 99 -0.618 -9.873 -1.301 1.00 0.00 C ATOM 1523 CG1 VAL A 99 -1.635 -10.706 -0.518 1.00 0.00 C ATOM 1524 CG2 VAL A 99 -0.068 -10.777 -2.408 1.00 0.00 C ATOM 0 H VAL A 99 0.503 -7.653 -2.629 1.00 0.00 H new ATOM 0 HA VAL A 99 -2.206 -8.855 -2.283 1.00 0.00 H new ATOM 0 HB VAL A 99 0.193 -9.539 -0.654 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -1.155 -11.612 -0.148 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -2.011 -10.124 0.324 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -2.465 -10.976 -1.171 1.00 0.00 H new ATOM 0 HG21 VAL A 99 0.360 -11.676 -1.965 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.875 -11.055 -3.085 1.00 0.00 H new ATOM 0 HG23 VAL A 99 0.704 -10.244 -2.963 1.00 0.00 H new ATOM 1534 N THR A 100 -2.672 -7.385 -0.224 1.00 0.00 N ATOM 1535 CA THR A 100 -2.977 -6.296 0.712 1.00 0.00 C ATOM 1536 C THR A 100 -3.939 -6.700 1.832 1.00 0.00 C ATOM 1537 O THR A 100 -5.069 -7.128 1.603 1.00 0.00 O ATOM 1538 CB THR A 100 -3.345 -5.028 -0.071 1.00 0.00 C ATOM 1539 OG1 THR A 100 -3.114 -3.915 0.768 1.00 0.00 O ATOM 1540 CG2 THR A 100 -4.786 -4.989 -0.573 1.00 0.00 C ATOM 0 H THR A 100 -3.465 -7.987 -0.445 1.00 0.00 H new ATOM 0 HA THR A 100 -2.078 -6.051 1.278 1.00 0.00 H new ATOM 0 HB THR A 100 -2.721 -5.013 -0.965 1.00 0.00 H new ATOM 0 HG1 THR A 100 -3.341 -3.091 0.288 1.00 0.00 H new ATOM 0 HG21 THR A 100 -4.958 -4.059 -1.115 1.00 0.00 H new ATOM 0 HG22 THR A 100 -4.962 -5.834 -1.238 1.00 0.00 H new ATOM 0 HG23 THR A 100 -5.468 -5.046 0.275 1.00 0.00 H new ATOM 1548 N ASN A 101 -3.440 -6.642 3.067 1.00 0.00 N ATOM 1549 CA ASN A 101 -4.128 -7.088 4.279 1.00 0.00 C ATOM 1550 C ASN A 101 -5.337 -6.200 4.646 1.00 0.00 C ATOM 1551 O ASN A 101 -5.390 -5.011 4.317 1.00 0.00 O ATOM 1552 CB ASN A 101 -3.064 -7.143 5.392 1.00 0.00 C ATOM 1553 CG ASN A 101 -3.619 -7.440 6.774 1.00 0.00 C ATOM 1554 OD1 ASN A 101 -3.628 -6.583 7.648 1.00 0.00 O ATOM 1555 ND2 ASN A 101 -4.119 -8.631 7.016 1.00 0.00 N ATOM 0 H ASN A 101 -2.510 -6.269 3.258 1.00 0.00 H new ATOM 0 HA ASN A 101 -4.569 -8.073 4.125 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -2.328 -7.906 5.137 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -2.537 -6.189 5.422 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -4.515 -8.841 7.932 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -4.111 -9.345 6.288 1.00 0.00 H new