USER MOD reduce.3.24.130724 H: found=0, std=0, add=700, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 700 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 39 THR OG1 : rot 16:sc= 0.0551 USER MOD Set 1.2: A 69 THR OG1 : rot -154:sc= 0.122 USER MOD Set 2.1: A 14 THR OG1 : rot 180:sc= -0.287 USER MOD Set 2.2: A 17 SER OG : rot -100:sc= -0.542 USER MOD Single : A 1 VAL N :NH3+ -117:sc= -0.052 (180deg=-1.61) USER MOD Single : A 2 SER OG : rot 121:sc= 1.04 USER MOD Single : A 16 THR OG1 : rot -78:sc= -0.0346 USER MOD Single : A 21 SER OG : rot 180:sc= -0.0449 USER MOD Single : A 28 THR OG1 : rot 48:sc= 0.246 USER MOD Single : A 31 TYR OH : rot 180:sc= -0.177 USER MOD Single : A 32 TYR OH : rot -65:sc= -0.234 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.121 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 SER OG : rot 180:sc= -0.436 USER MOD Single : A 46 GLN : amide:sc= -1.51! C(o=-1.5!,f=-4.2!) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.348) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot -10:sc= 0.671 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= -0.15 USER MOD Single : A 71 THR OG1 : rot -14:sc= -0.163! USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 90:sc= -3.49 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= 0.817 K(o=0.82,f=-2.1!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= -0.0437 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -2.064 11.602 0.227 1.00 0.00 N ATOM 2 CA VAL A 1 -1.011 12.546 -0.183 1.00 0.00 C ATOM 3 C VAL A 1 -0.044 11.851 -1.129 1.00 0.00 C ATOM 4 O VAL A 1 1.112 11.663 -0.810 1.00 0.00 O ATOM 5 CB VAL A 1 -0.235 13.034 1.058 1.00 0.00 C ATOM 6 CG1 VAL A 1 0.927 13.927 0.614 1.00 0.00 C ATOM 7 CG2 VAL A 1 -1.175 13.846 1.950 1.00 0.00 C ATOM 0 H1 VAL A 1 -2.987 11.945 -0.108 1.00 0.00 H new ATOM 0 H2 VAL A 1 -1.872 10.667 -0.186 1.00 0.00 H new ATOM 0 H3 VAL A 1 -2.078 11.526 1.264 1.00 0.00 H new ATOM 0 HA VAL A 1 -1.472 13.397 -0.685 1.00 0.00 H new ATOM 0 HB VAL A 1 0.151 12.176 1.608 1.00 0.00 H new ATOM 0 HG11 VAL A 1 1.476 14.272 1.490 1.00 0.00 H new ATOM 0 HG12 VAL A 1 1.596 13.359 -0.033 1.00 0.00 H new ATOM 0 HG13 VAL A 1 0.538 14.786 0.068 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -0.632 14.194 2.829 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -1.553 14.704 1.394 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -2.010 13.220 2.264 1.00 0.00 H new ATOM 19 N SER A 2 -0.539 11.474 -2.278 1.00 0.00 N ATOM 20 CA SER A 2 0.338 10.790 -3.258 1.00 0.00 C ATOM 21 C SER A 2 -0.055 11.154 -4.675 1.00 0.00 C ATOM 22 O SER A 2 -1.213 11.287 -4.973 1.00 0.00 O ATOM 23 CB SER A 2 0.202 9.272 -3.069 1.00 0.00 C ATOM 24 OG SER A 2 0.585 9.055 -1.719 1.00 0.00 O ATOM 0 H SER A 2 -1.505 11.611 -2.574 1.00 0.00 H new ATOM 0 HA SER A 2 1.368 11.104 -3.092 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.819 8.937 -3.252 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.845 8.725 -3.759 1.00 0.00 H new ATOM 0 HG SER A 2 -0.156 8.639 -1.232 1.00 0.00 H new ATOM 30 N ASP A 3 0.927 11.278 -5.534 1.00 0.00 N ATOM 31 CA ASP A 3 0.633 11.638 -6.949 1.00 0.00 C ATOM 32 C ASP A 3 1.542 10.888 -7.933 1.00 0.00 C ATOM 33 O ASP A 3 1.077 10.096 -8.710 1.00 0.00 O ATOM 34 CB ASP A 3 0.872 13.151 -7.116 1.00 0.00 C ATOM 35 CG ASP A 3 -0.066 13.701 -8.197 1.00 0.00 C ATOM 36 OD1 ASP A 3 -0.210 13.010 -9.192 1.00 0.00 O ATOM 37 OD2 ASP A 3 -0.588 14.779 -7.962 1.00 0.00 O ATOM 0 H ASP A 3 1.914 11.145 -5.315 1.00 0.00 H new ATOM 0 HA ASP A 3 -0.399 11.363 -7.168 1.00 0.00 H new ATOM 0 HB2 ASP A 3 0.695 13.664 -6.171 1.00 0.00 H new ATOM 0 HB3 ASP A 3 1.910 13.338 -7.391 1.00 0.00 H new ATOM 42 N VAL A 4 2.825 11.156 -7.877 1.00 0.00 N ATOM 43 CA VAL A 4 3.767 10.460 -8.813 1.00 0.00 C ATOM 44 C VAL A 4 4.508 9.276 -8.122 1.00 0.00 C ATOM 45 O VAL A 4 5.348 9.505 -7.274 1.00 0.00 O ATOM 46 CB VAL A 4 4.832 11.484 -9.247 1.00 0.00 C ATOM 47 CG1 VAL A 4 5.684 10.883 -10.374 1.00 0.00 C ATOM 48 CG2 VAL A 4 4.132 12.745 -9.753 1.00 0.00 C ATOM 0 H VAL A 4 3.257 11.818 -7.233 1.00 0.00 H new ATOM 0 HA VAL A 4 3.192 10.066 -9.651 1.00 0.00 H new ATOM 0 HB VAL A 4 5.474 11.734 -8.402 1.00 0.00 H new ATOM 0 HG11 VAL A 4 6.439 11.605 -10.684 1.00 0.00 H new ATOM 0 HG12 VAL A 4 6.173 9.977 -10.017 1.00 0.00 H new ATOM 0 HG13 VAL A 4 5.045 10.639 -11.223 1.00 0.00 H new ATOM 0 HG21 VAL A 4 4.879 13.476 -10.063 1.00 0.00 H new ATOM 0 HG22 VAL A 4 3.497 12.493 -10.602 1.00 0.00 H new ATOM 0 HG23 VAL A 4 3.520 13.167 -8.955 1.00 0.00 H new ATOM 58 N PRO A 5 4.187 8.012 -8.485 1.00 0.00 N ATOM 59 CA PRO A 5 4.855 6.866 -7.868 1.00 0.00 C ATOM 60 C PRO A 5 6.277 6.718 -8.404 1.00 0.00 C ATOM 61 O PRO A 5 6.471 6.541 -9.592 1.00 0.00 O ATOM 62 CB PRO A 5 4.025 5.643 -8.297 1.00 0.00 C ATOM 63 CG PRO A 5 3.034 6.124 -9.398 1.00 0.00 C ATOM 64 CD PRO A 5 3.145 7.656 -9.472 1.00 0.00 C ATOM 0 HA PRO A 5 4.921 6.977 -6.786 1.00 0.00 H new ATOM 0 HB2 PRO A 5 4.672 4.854 -8.680 1.00 0.00 H new ATOM 0 HB3 PRO A 5 3.484 5.228 -7.447 1.00 0.00 H new ATOM 0 HG2 PRO A 5 3.279 5.674 -10.360 1.00 0.00 H new ATOM 0 HG3 PRO A 5 2.015 5.823 -9.156 1.00 0.00 H new ATOM 0 HD2 PRO A 5 3.422 7.984 -10.474 1.00 0.00 H new ATOM 0 HD3 PRO A 5 2.195 8.133 -9.232 1.00 0.00 H new ATOM 72 N ARG A 6 7.246 6.782 -7.518 1.00 0.00 N ATOM 73 CA ARG A 6 8.671 6.646 -7.974 1.00 0.00 C ATOM 74 C ARG A 6 9.277 5.282 -7.611 1.00 0.00 C ATOM 75 O ARG A 6 8.573 4.320 -7.373 1.00 0.00 O ATOM 76 CB ARG A 6 9.513 7.757 -7.314 1.00 0.00 C ATOM 77 CG ARG A 6 8.631 8.987 -7.062 1.00 0.00 C ATOM 78 CD ARG A 6 9.516 10.159 -6.634 1.00 0.00 C ATOM 79 NE ARG A 6 10.661 9.638 -5.836 1.00 0.00 N ATOM 80 CZ ARG A 6 11.879 9.885 -6.229 1.00 0.00 C ATOM 81 NH1 ARG A 6 12.360 11.089 -6.075 1.00 0.00 N ATOM 82 NH2 ARG A 6 12.578 8.922 -6.768 1.00 0.00 N ATOM 0 H ARG A 6 7.117 6.920 -6.516 1.00 0.00 H new ATOM 0 HA ARG A 6 8.680 6.733 -9.061 1.00 0.00 H new ATOM 0 HB2 ARG A 6 9.934 7.399 -6.374 1.00 0.00 H new ATOM 0 HB3 ARG A 6 10.351 8.023 -7.958 1.00 0.00 H new ATOM 0 HG2 ARG A 6 8.078 9.244 -7.965 1.00 0.00 H new ATOM 0 HG3 ARG A 6 7.895 8.770 -6.288 1.00 0.00 H new ATOM 0 HD2 ARG A 6 9.881 10.694 -7.510 1.00 0.00 H new ATOM 0 HD3 ARG A 6 8.939 10.870 -6.043 1.00 0.00 H new ATOM 0 HE ARG A 6 10.493 9.093 -4.990 1.00 0.00 H new ATOM 0 HH11 ARG A 6 11.785 11.818 -5.653 1.00 0.00 H new ATOM 0 HH12 ARG A 6 13.311 11.301 -6.377 1.00 0.00 H new ATOM 0 HH21 ARG A 6 12.169 7.994 -6.876 1.00 0.00 H new ATOM 0 HH22 ARG A 6 13.533 9.098 -7.081 1.00 0.00 H new ATOM 96 N ASP A 7 10.586 5.247 -7.574 1.00 0.00 N ATOM 97 CA ASP A 7 11.317 3.983 -7.239 1.00 0.00 C ATOM 98 C ASP A 7 10.647 3.165 -6.127 1.00 0.00 C ATOM 99 O ASP A 7 10.990 3.288 -4.967 1.00 0.00 O ATOM 100 CB ASP A 7 12.734 4.369 -6.787 1.00 0.00 C ATOM 101 CG ASP A 7 12.686 5.702 -6.036 1.00 0.00 C ATOM 102 OD1 ASP A 7 11.769 5.845 -5.242 1.00 0.00 O ATOM 103 OD2 ASP A 7 13.566 6.504 -6.298 1.00 0.00 O ATOM 0 H ASP A 7 11.187 6.049 -7.764 1.00 0.00 H new ATOM 0 HA ASP A 7 11.320 3.354 -8.129 1.00 0.00 H new ATOM 0 HB2 ASP A 7 13.146 3.592 -6.143 1.00 0.00 H new ATOM 0 HB3 ASP A 7 13.393 4.450 -7.651 1.00 0.00 H new ATOM 108 N LEU A 8 9.707 2.334 -6.519 1.00 0.00 N ATOM 109 CA LEU A 8 8.991 1.482 -5.516 1.00 0.00 C ATOM 110 C LEU A 8 9.536 0.052 -5.541 1.00 0.00 C ATOM 111 O LEU A 8 10.296 -0.304 -6.418 1.00 0.00 O ATOM 112 CB LEU A 8 7.470 1.462 -5.841 1.00 0.00 C ATOM 113 CG LEU A 8 7.172 0.619 -7.095 1.00 0.00 C ATOM 114 CD1 LEU A 8 5.681 0.740 -7.417 1.00 0.00 C ATOM 115 CD2 LEU A 8 7.972 1.147 -8.280 1.00 0.00 C ATOM 0 H LEU A 8 9.407 2.210 -7.486 1.00 0.00 H new ATOM 0 HA LEU A 8 9.151 1.902 -4.523 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.920 1.058 -4.991 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.116 2.482 -5.994 1.00 0.00 H new ATOM 0 HG LEU A 8 7.445 -0.420 -6.910 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.451 0.149 -8.303 1.00 0.00 H new ATOM 0 HD12 LEU A 8 5.096 0.373 -6.574 1.00 0.00 H new ATOM 0 HD13 LEU A 8 5.433 1.785 -7.603 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.755 0.545 -9.163 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.697 2.184 -8.472 1.00 0.00 H new ATOM 0 HD23 LEU A 8 9.037 1.090 -8.055 1.00 0.00 H new ATOM 127 N GLU A 9 9.137 -0.747 -4.574 1.00 0.00 N ATOM 128 CA GLU A 9 9.632 -2.161 -4.538 1.00 0.00 C ATOM 129 C GLU A 9 8.975 -2.954 -3.405 1.00 0.00 C ATOM 130 O GLU A 9 8.138 -2.440 -2.677 1.00 0.00 O ATOM 131 CB GLU A 9 11.159 -2.147 -4.294 1.00 0.00 C ATOM 132 CG GLU A 9 11.827 -3.185 -5.201 1.00 0.00 C ATOM 133 CD GLU A 9 13.233 -3.477 -4.675 1.00 0.00 C ATOM 134 OE1 GLU A 9 13.936 -2.508 -4.440 1.00 0.00 O ATOM 135 OE2 GLU A 9 13.526 -4.653 -4.537 1.00 0.00 O ATOM 0 H GLU A 9 8.501 -0.485 -3.821 1.00 0.00 H new ATOM 0 HA GLU A 9 9.384 -2.634 -5.488 1.00 0.00 H new ATOM 0 HB2 GLU A 9 11.562 -1.155 -4.499 1.00 0.00 H new ATOM 0 HB3 GLU A 9 11.374 -2.369 -3.249 1.00 0.00 H new ATOM 0 HG2 GLU A 9 11.236 -4.101 -5.224 1.00 0.00 H new ATOM 0 HG3 GLU A 9 11.878 -2.813 -6.224 1.00 0.00 H new ATOM 142 N VAL A 10 9.369 -4.203 -3.289 1.00 0.00 N ATOM 143 CA VAL A 10 8.797 -5.071 -2.219 1.00 0.00 C ATOM 144 C VAL A 10 9.662 -4.983 -0.961 1.00 0.00 C ATOM 145 O VAL A 10 10.862 -5.183 -1.019 1.00 0.00 O ATOM 146 CB VAL A 10 8.793 -6.531 -2.713 1.00 0.00 C ATOM 147 CG1 VAL A 10 8.158 -7.421 -1.643 1.00 0.00 C ATOM 148 CG2 VAL A 10 7.965 -6.632 -3.996 1.00 0.00 C ATOM 0 H VAL A 10 10.060 -4.653 -3.889 1.00 0.00 H new ATOM 0 HA VAL A 10 7.784 -4.741 -1.989 1.00 0.00 H new ATOM 0 HB VAL A 10 9.816 -6.852 -2.908 1.00 0.00 H new ATOM 0 HG11 VAL A 10 8.152 -8.455 -1.987 1.00 0.00 H new ATOM 0 HG12 VAL A 10 8.734 -7.348 -0.720 1.00 0.00 H new ATOM 0 HG13 VAL A 10 7.135 -7.094 -1.458 1.00 0.00 H new ATOM 0 HG21 VAL A 10 7.961 -7.664 -4.346 1.00 0.00 H new ATOM 0 HG22 VAL A 10 6.942 -6.313 -3.795 1.00 0.00 H new ATOM 0 HG23 VAL A 10 8.401 -5.990 -4.762 1.00 0.00 H new ATOM 158 N VAL A 11 9.046 -4.694 0.158 1.00 0.00 N ATOM 159 CA VAL A 11 9.839 -4.593 1.414 1.00 0.00 C ATOM 160 C VAL A 11 9.869 -5.911 2.162 1.00 0.00 C ATOM 161 O VAL A 11 10.744 -6.144 2.970 1.00 0.00 O ATOM 162 CB VAL A 11 9.200 -3.524 2.316 1.00 0.00 C ATOM 163 CG1 VAL A 11 7.966 -4.108 2.992 1.00 0.00 C ATOM 164 CG2 VAL A 11 10.205 -3.112 3.390 1.00 0.00 C ATOM 0 H VAL A 11 8.044 -4.527 0.253 1.00 0.00 H new ATOM 0 HA VAL A 11 10.863 -4.326 1.153 1.00 0.00 H new ATOM 0 HB VAL A 11 8.918 -2.658 1.716 1.00 0.00 H new ATOM 0 HG11 VAL A 11 7.510 -3.353 3.632 1.00 0.00 H new ATOM 0 HG12 VAL A 11 7.249 -4.421 2.233 1.00 0.00 H new ATOM 0 HG13 VAL A 11 8.255 -4.969 3.595 1.00 0.00 H new ATOM 0 HG21 VAL A 11 9.759 -2.354 4.034 1.00 0.00 H new ATOM 0 HG22 VAL A 11 10.476 -3.982 3.988 1.00 0.00 H new ATOM 0 HG23 VAL A 11 11.098 -2.705 2.916 1.00 0.00 H new ATOM 174 N ALA A 12 8.927 -6.752 1.886 1.00 0.00 N ATOM 175 CA ALA A 12 8.911 -8.052 2.589 1.00 0.00 C ATOM 176 C ALA A 12 7.748 -8.908 2.143 1.00 0.00 C ATOM 177 O ALA A 12 6.793 -8.422 1.569 1.00 0.00 O ATOM 178 CB ALA A 12 8.766 -7.786 4.095 1.00 0.00 C ATOM 0 H ALA A 12 8.175 -6.601 1.213 1.00 0.00 H new ATOM 0 HA ALA A 12 9.837 -8.580 2.361 1.00 0.00 H new ATOM 0 HB1 ALA A 12 8.752 -8.734 4.632 1.00 0.00 H new ATOM 0 HB2 ALA A 12 9.607 -7.185 4.441 1.00 0.00 H new ATOM 0 HB3 ALA A 12 7.836 -7.250 4.282 1.00 0.00 H new ATOM 184 N ALA A 13 7.858 -10.176 2.417 1.00 0.00 N ATOM 185 CA ALA A 13 6.786 -11.117 2.035 1.00 0.00 C ATOM 186 C ALA A 13 6.496 -12.045 3.202 1.00 0.00 C ATOM 187 O ALA A 13 7.344 -12.815 3.604 1.00 0.00 O ATOM 188 CB ALA A 13 7.266 -11.953 0.838 1.00 0.00 C ATOM 0 H ALA A 13 8.654 -10.599 2.894 1.00 0.00 H new ATOM 0 HA ALA A 13 5.884 -10.566 1.771 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.483 -12.653 0.546 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.494 -11.293 0.001 1.00 0.00 H new ATOM 0 HB3 ALA A 13 8.162 -12.507 1.117 1.00 0.00 H new ATOM 194 N THR A 14 5.312 -11.954 3.728 1.00 0.00 N ATOM 195 CA THR A 14 4.953 -12.823 4.868 1.00 0.00 C ATOM 196 C THR A 14 4.210 -14.054 4.357 1.00 0.00 C ATOM 197 O THR A 14 3.714 -14.056 3.247 1.00 0.00 O ATOM 198 CB THR A 14 4.025 -12.015 5.797 1.00 0.00 C ATOM 199 OG1 THR A 14 3.666 -10.875 5.051 1.00 0.00 O ATOM 200 CG2 THR A 14 4.788 -11.443 7.009 1.00 0.00 C ATOM 0 H THR A 14 4.580 -11.316 3.416 1.00 0.00 H new ATOM 0 HA THR A 14 5.847 -13.146 5.401 1.00 0.00 H new ATOM 0 HB THR A 14 3.207 -12.652 6.133 1.00 0.00 H new ATOM 0 HG1 THR A 14 3.069 -10.310 5.584 1.00 0.00 H new ATOM 0 HG21 THR A 14 4.100 -10.880 7.640 1.00 0.00 H new ATOM 0 HG22 THR A 14 5.222 -12.261 7.585 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.583 -10.783 6.660 1.00 0.00 H new ATOM 208 N PRO A 15 4.139 -15.092 5.174 1.00 0.00 N ATOM 209 CA PRO A 15 3.453 -16.305 4.774 1.00 0.00 C ATOM 210 C PRO A 15 2.093 -15.980 4.168 1.00 0.00 C ATOM 211 O PRO A 15 1.133 -15.772 4.872 1.00 0.00 O ATOM 212 CB PRO A 15 3.294 -17.118 6.081 1.00 0.00 C ATOM 213 CG PRO A 15 4.136 -16.391 7.176 1.00 0.00 C ATOM 214 CD PRO A 15 4.697 -15.108 6.537 1.00 0.00 C ATOM 0 HA PRO A 15 4.003 -16.858 4.012 1.00 0.00 H new ATOM 0 HB2 PRO A 15 2.246 -17.175 6.375 1.00 0.00 H new ATOM 0 HB3 PRO A 15 3.642 -18.142 5.943 1.00 0.00 H new ATOM 0 HG2 PRO A 15 3.518 -16.152 8.042 1.00 0.00 H new ATOM 0 HG3 PRO A 15 4.945 -17.031 7.529 1.00 0.00 H new ATOM 0 HD2 PRO A 15 4.397 -14.223 7.098 1.00 0.00 H new ATOM 0 HD3 PRO A 15 5.787 -15.119 6.518 1.00 0.00 H new ATOM 222 N THR A 16 2.062 -15.920 2.858 1.00 0.00 N ATOM 223 CA THR A 16 0.788 -15.612 2.136 1.00 0.00 C ATOM 224 C THR A 16 0.390 -14.160 2.346 1.00 0.00 C ATOM 225 O THR A 16 -0.747 -13.858 2.649 1.00 0.00 O ATOM 226 CB THR A 16 -0.357 -16.537 2.635 1.00 0.00 C ATOM 227 OG1 THR A 16 -0.884 -15.919 3.789 1.00 0.00 O ATOM 228 CG2 THR A 16 0.180 -17.897 3.124 1.00 0.00 C ATOM 0 H THR A 16 2.870 -16.072 2.255 1.00 0.00 H new ATOM 0 HA THR A 16 0.954 -15.786 1.073 1.00 0.00 H new ATOM 0 HB THR A 16 -1.068 -16.688 1.822 1.00 0.00 H new ATOM 0 HG1 THR A 16 -0.293 -16.092 4.551 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.651 -18.515 3.465 1.00 0.00 H new ATOM 0 HG22 THR A 16 0.695 -18.400 2.306 1.00 0.00 H new ATOM 0 HG23 THR A 16 0.876 -17.738 3.948 1.00 0.00 H new ATOM 236 N SER A 17 1.343 -13.285 2.178 1.00 0.00 N ATOM 237 CA SER A 17 1.056 -11.845 2.357 1.00 0.00 C ATOM 238 C SER A 17 2.180 -11.006 1.778 1.00 0.00 C ATOM 239 O SER A 17 3.313 -11.107 2.199 1.00 0.00 O ATOM 240 CB SER A 17 0.923 -11.538 3.855 1.00 0.00 C ATOM 241 OG SER A 17 1.401 -12.706 4.499 1.00 0.00 O ATOM 0 H SER A 17 2.305 -13.510 1.925 1.00 0.00 H new ATOM 0 HA SER A 17 0.128 -11.604 1.839 1.00 0.00 H new ATOM 0 HB2 SER A 17 1.509 -10.662 4.134 1.00 0.00 H new ATOM 0 HB3 SER A 17 -0.112 -11.329 4.127 1.00 0.00 H new ATOM 0 HG SER A 17 0.642 -13.254 4.788 1.00 0.00 H new ATOM 247 N LEU A 18 1.839 -10.191 0.818 1.00 0.00 N ATOM 248 CA LEU A 18 2.863 -9.329 0.186 1.00 0.00 C ATOM 249 C LEU A 18 2.703 -7.898 0.650 1.00 0.00 C ATOM 250 O LEU A 18 1.600 -7.397 0.733 1.00 0.00 O ATOM 251 CB LEU A 18 2.651 -9.379 -1.335 1.00 0.00 C ATOM 252 CG LEU A 18 3.861 -8.759 -2.037 1.00 0.00 C ATOM 253 CD1 LEU A 18 4.858 -9.865 -2.394 1.00 0.00 C ATOM 254 CD2 LEU A 18 3.395 -8.071 -3.323 1.00 0.00 C ATOM 0 H LEU A 18 0.894 -10.088 0.448 1.00 0.00 H new ATOM 0 HA LEU A 18 3.858 -9.681 0.458 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.517 -10.410 -1.661 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.744 -8.839 -1.605 1.00 0.00 H new ATOM 0 HG LEU A 18 4.337 -8.032 -1.379 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.722 -9.428 -2.895 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.183 -10.370 -1.484 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.380 -10.585 -3.058 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.252 -7.627 -3.829 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.927 -8.805 -3.979 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.674 -7.291 -3.078 1.00 0.00 H new ATOM 266 N LEU A 19 3.808 -7.268 0.948 1.00 0.00 N ATOM 267 CA LEU A 19 3.752 -5.860 1.412 1.00 0.00 C ATOM 268 C LEU A 19 4.605 -4.984 0.508 1.00 0.00 C ATOM 269 O LEU A 19 5.818 -4.986 0.602 1.00 0.00 O ATOM 270 CB LEU A 19 4.304 -5.800 2.853 1.00 0.00 C ATOM 271 CG LEU A 19 3.404 -4.904 3.714 1.00 0.00 C ATOM 272 CD1 LEU A 19 3.863 -4.996 5.171 1.00 0.00 C ATOM 273 CD2 LEU A 19 3.532 -3.452 3.238 1.00 0.00 C ATOM 0 H LEU A 19 4.743 -7.670 0.889 1.00 0.00 H new ATOM 0 HA LEU A 19 2.723 -5.501 1.384 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.349 -6.803 3.278 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.322 -5.411 2.847 1.00 0.00 H new ATOM 0 HG LEU A 19 2.367 -5.228 3.628 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.230 -4.363 5.793 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.789 -6.029 5.511 1.00 0.00 H new ATOM 0 HD13 LEU A 19 4.898 -4.662 5.248 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.894 -2.812 3.847 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.568 -3.128 3.333 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.225 -3.383 2.194 1.00 0.00 H new ATOM 285 N ILE A 20 3.952 -4.254 -0.364 1.00 0.00 N ATOM 286 CA ILE A 20 4.710 -3.370 -1.287 1.00 0.00 C ATOM 287 C ILE A 20 4.732 -1.951 -0.763 1.00 0.00 C ATOM 288 O ILE A 20 4.083 -1.638 0.221 1.00 0.00 O ATOM 289 CB ILE A 20 4.025 -3.391 -2.669 1.00 0.00 C ATOM 290 CG1 ILE A 20 2.874 -2.380 -2.715 1.00 0.00 C ATOM 291 CG2 ILE A 20 3.455 -4.800 -2.905 1.00 0.00 C ATOM 292 CD1 ILE A 20 2.004 -2.651 -3.947 1.00 0.00 C ATOM 0 H ILE A 20 2.938 -4.235 -0.472 1.00 0.00 H new ATOM 0 HA ILE A 20 5.736 -3.730 -1.365 1.00 0.00 H new ATOM 0 HB ILE A 20 4.754 -3.130 -3.436 1.00 0.00 H new ATOM 0 HG12 ILE A 20 2.273 -2.456 -1.809 1.00 0.00 H new ATOM 0 HG13 ILE A 20 3.269 -1.365 -2.752 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.966 -4.836 -3.878 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.265 -5.529 -2.879 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.730 -5.034 -2.126 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.185 -1.932 -3.980 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.609 -2.553 -4.848 1.00 0.00 H new ATOM 0 HD13 ILE A 20 1.598 -3.661 -3.891 1.00 0.00 H new ATOM 304 N SER A 21 5.477 -1.110 -1.422 1.00 0.00 N ATOM 305 CA SER A 21 5.545 0.294 -0.964 1.00 0.00 C ATOM 306 C SER A 21 6.130 1.188 -2.028 1.00 0.00 C ATOM 307 O SER A 21 7.160 0.877 -2.591 1.00 0.00 O ATOM 308 CB SER A 21 6.453 0.354 0.272 1.00 0.00 C ATOM 309 OG SER A 21 7.230 -0.829 0.189 1.00 0.00 O ATOM 0 H SER A 21 6.033 -1.334 -2.247 1.00 0.00 H new ATOM 0 HA SER A 21 4.536 0.637 -0.737 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.081 1.245 0.262 1.00 0.00 H new ATOM 0 HB3 SER A 21 5.871 0.385 1.193 1.00 0.00 H new ATOM 0 HG SER A 21 7.846 -0.870 0.950 1.00 0.00 H new ATOM 315 N TRP A 22 5.460 2.294 -2.289 1.00 0.00 N ATOM 316 CA TRP A 22 5.973 3.220 -3.319 1.00 0.00 C ATOM 317 C TRP A 22 6.173 4.589 -2.757 1.00 0.00 C ATOM 318 O TRP A 22 5.849 4.864 -1.617 1.00 0.00 O ATOM 319 CB TRP A 22 5.031 3.262 -4.562 1.00 0.00 C ATOM 320 CG TRP A 22 3.620 3.757 -4.224 1.00 0.00 C ATOM 321 CD1 TRP A 22 3.150 4.941 -4.587 1.00 0.00 C ATOM 322 CD2 TRP A 22 2.690 3.046 -3.628 1.00 0.00 C ATOM 323 NE1 TRP A 22 1.868 4.916 -4.183 1.00 0.00 N ATOM 324 CE2 TRP A 22 1.499 3.747 -3.555 1.00 0.00 C ATOM 325 CE3 TRP A 22 2.760 1.772 -3.112 1.00 0.00 C ATOM 326 CZ2 TRP A 22 0.393 3.181 -2.960 1.00 0.00 C ATOM 327 CZ3 TRP A 22 1.649 1.204 -2.513 1.00 0.00 C ATOM 328 CH2 TRP A 22 0.467 1.910 -2.439 1.00 0.00 C ATOM 0 H TRP A 22 4.594 2.579 -1.832 1.00 0.00 H new ATOM 0 HA TRP A 22 6.942 2.844 -3.647 1.00 0.00 H new ATOM 0 HB2 TRP A 22 5.467 3.912 -5.320 1.00 0.00 H new ATOM 0 HB3 TRP A 22 4.966 2.264 -4.997 1.00 0.00 H new ATOM 0 HD1 TRP A 22 3.674 5.740 -5.090 1.00 0.00 H new ATOM 0 HE1 TRP A 22 1.225 5.694 -4.329 1.00 0.00 H new ATOM 0 HE3 TRP A 22 3.683 1.215 -3.175 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -0.532 3.735 -2.903 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 1.708 0.207 -2.103 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -0.400 1.466 -1.973 1.00 0.00 H new ATOM 339 N ASP A 23 6.704 5.419 -3.569 1.00 0.00 N ATOM 340 CA ASP A 23 6.969 6.812 -3.139 1.00 0.00 C ATOM 341 C ASP A 23 5.968 7.791 -3.725 1.00 0.00 C ATOM 342 O ASP A 23 5.169 7.439 -4.556 1.00 0.00 O ATOM 343 CB ASP A 23 8.358 7.168 -3.657 1.00 0.00 C ATOM 344 CG ASP A 23 8.724 8.587 -3.214 1.00 0.00 C ATOM 345 OD1 ASP A 23 9.067 8.717 -2.050 1.00 0.00 O ATOM 346 OD2 ASP A 23 8.641 9.459 -4.062 1.00 0.00 O ATOM 0 H ASP A 23 6.974 5.202 -4.528 1.00 0.00 H new ATOM 0 HA ASP A 23 6.891 6.878 -2.054 1.00 0.00 H new ATOM 0 HB2 ASP A 23 9.092 6.457 -3.277 1.00 0.00 H new ATOM 0 HB3 ASP A 23 8.380 7.099 -4.745 1.00 0.00 H new ATOM 351 N ALA A 24 6.026 9.013 -3.268 1.00 0.00 N ATOM 352 CA ALA A 24 5.082 10.031 -3.789 1.00 0.00 C ATOM 353 C ALA A 24 5.444 11.430 -3.239 1.00 0.00 C ATOM 354 O ALA A 24 6.111 11.533 -2.229 1.00 0.00 O ATOM 355 CB ALA A 24 3.669 9.662 -3.317 1.00 0.00 C ATOM 0 H ALA A 24 6.683 9.344 -2.562 1.00 0.00 H new ATOM 0 HA ALA A 24 5.136 10.055 -4.877 1.00 0.00 H new ATOM 0 HB1 ALA A 24 2.957 10.399 -3.689 1.00 0.00 H new ATOM 0 HB2 ALA A 24 3.404 8.676 -3.699 1.00 0.00 H new ATOM 0 HB3 ALA A 24 3.641 9.649 -2.227 1.00 0.00 H new ATOM 361 N PRO A 25 4.995 12.498 -3.917 1.00 0.00 N ATOM 362 CA PRO A 25 5.292 13.860 -3.466 1.00 0.00 C ATOM 363 C PRO A 25 4.461 14.233 -2.238 1.00 0.00 C ATOM 364 O PRO A 25 3.820 13.389 -1.641 1.00 0.00 O ATOM 365 CB PRO A 25 4.866 14.762 -4.640 1.00 0.00 C ATOM 366 CG PRO A 25 4.000 13.886 -5.591 1.00 0.00 C ATOM 367 CD PRO A 25 4.182 12.425 -5.152 1.00 0.00 C ATOM 0 HA PRO A 25 6.342 13.963 -3.192 1.00 0.00 H new ATOM 0 HB2 PRO A 25 4.298 15.620 -4.281 1.00 0.00 H new ATOM 0 HB3 PRO A 25 5.739 15.153 -5.163 1.00 0.00 H new ATOM 0 HG2 PRO A 25 2.951 14.177 -5.534 1.00 0.00 H new ATOM 0 HG3 PRO A 25 4.312 14.018 -6.627 1.00 0.00 H new ATOM 0 HD2 PRO A 25 3.221 11.946 -4.965 1.00 0.00 H new ATOM 0 HD3 PRO A 25 4.685 11.840 -5.922 1.00 0.00 H new ATOM 375 N ALA A 26 4.499 15.498 -1.886 1.00 0.00 N ATOM 376 CA ALA A 26 3.723 15.967 -0.705 1.00 0.00 C ATOM 377 C ALA A 26 2.501 16.782 -1.136 1.00 0.00 C ATOM 378 O ALA A 26 1.881 17.439 -0.323 1.00 0.00 O ATOM 379 CB ALA A 26 4.638 16.862 0.151 1.00 0.00 C ATOM 0 H ALA A 26 5.034 16.220 -2.368 1.00 0.00 H new ATOM 0 HA ALA A 26 3.379 15.100 -0.142 1.00 0.00 H new ATOM 0 HB1 ALA A 26 4.088 17.217 1.023 1.00 0.00 H new ATOM 0 HB2 ALA A 26 5.505 16.289 0.478 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.969 17.715 -0.441 1.00 0.00 H new ATOM 385 N VAL A 27 2.174 16.734 -2.411 1.00 0.00 N ATOM 386 CA VAL A 27 0.989 17.512 -2.881 1.00 0.00 C ATOM 387 C VAL A 27 -0.304 16.790 -2.558 1.00 0.00 C ATOM 388 O VAL A 27 -0.317 15.606 -2.288 1.00 0.00 O ATOM 389 CB VAL A 27 1.076 17.718 -4.417 1.00 0.00 C ATOM 390 CG1 VAL A 27 1.420 16.391 -5.106 1.00 0.00 C ATOM 391 CG2 VAL A 27 -0.272 18.230 -4.960 1.00 0.00 C ATOM 0 H VAL A 27 2.667 16.201 -3.128 1.00 0.00 H new ATOM 0 HA VAL A 27 0.993 18.473 -2.367 1.00 0.00 H new ATOM 0 HB VAL A 27 1.855 18.452 -4.624 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.479 16.545 -6.183 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.380 16.028 -4.738 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.646 15.656 -4.886 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.200 18.371 -6.038 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.053 17.502 -4.741 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.518 19.180 -4.485 1.00 0.00 H new ATOM 401 N THR A 28 -1.365 17.531 -2.598 1.00 0.00 N ATOM 402 CA THR A 28 -2.696 16.946 -2.302 1.00 0.00 C ATOM 403 C THR A 28 -3.239 16.210 -3.518 1.00 0.00 C ATOM 404 O THR A 28 -3.225 16.735 -4.614 1.00 0.00 O ATOM 405 CB THR A 28 -3.651 18.094 -1.958 1.00 0.00 C ATOM 406 OG1 THR A 28 -3.381 19.100 -2.916 1.00 0.00 O ATOM 407 CG2 THR A 28 -3.277 18.736 -0.613 1.00 0.00 C ATOM 0 H THR A 28 -1.370 18.525 -2.825 1.00 0.00 H new ATOM 0 HA THR A 28 -2.607 16.241 -1.475 1.00 0.00 H new ATOM 0 HB THR A 28 -4.677 17.726 -1.933 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.362 18.702 -3.812 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.970 19.548 -0.392 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.333 17.986 0.176 1.00 0.00 H new ATOM 0 HG23 THR A 28 -2.262 19.130 -0.668 1.00 0.00 H new ATOM 415 N VAL A 29 -3.711 15.007 -3.303 1.00 0.00 N ATOM 416 CA VAL A 29 -4.262 14.216 -4.441 1.00 0.00 C ATOM 417 C VAL A 29 -5.595 13.580 -4.076 1.00 0.00 C ATOM 418 O VAL A 29 -5.898 13.383 -2.915 1.00 0.00 O ATOM 419 CB VAL A 29 -3.254 13.106 -4.779 1.00 0.00 C ATOM 420 CG1 VAL A 29 -3.867 12.180 -5.852 1.00 0.00 C ATOM 421 CG2 VAL A 29 -1.956 13.752 -5.310 1.00 0.00 C ATOM 0 H VAL A 29 -3.738 14.543 -2.395 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.424 14.878 -5.291 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.024 12.519 -3.890 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.158 11.389 -6.098 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.786 11.737 -5.468 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -4.090 12.759 -6.748 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.234 12.972 -5.553 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.178 14.332 -6.206 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.538 14.409 -4.547 1.00 0.00 H new ATOM 431 N ARG A 30 -6.370 13.265 -5.083 1.00 0.00 N ATOM 432 CA ARG A 30 -7.683 12.644 -4.827 1.00 0.00 C ATOM 433 C ARG A 30 -7.527 11.181 -4.414 1.00 0.00 C ATOM 434 O ARG A 30 -7.845 10.823 -3.296 1.00 0.00 O ATOM 435 CB ARG A 30 -8.508 12.723 -6.119 1.00 0.00 C ATOM 436 CG ARG A 30 -9.951 13.117 -5.778 1.00 0.00 C ATOM 437 CD ARG A 30 -10.035 14.633 -5.572 1.00 0.00 C ATOM 438 NE ARG A 30 -11.114 14.933 -4.583 1.00 0.00 N ATOM 439 CZ ARG A 30 -10.807 15.069 -3.323 1.00 0.00 C ATOM 440 NH1 ARG A 30 -10.207 14.086 -2.711 1.00 0.00 N ATOM 441 NH2 ARG A 30 -11.110 16.185 -2.713 1.00 0.00 N ATOM 0 H ARG A 30 -6.142 13.415 -6.066 1.00 0.00 H new ATOM 0 HA ARG A 30 -8.180 13.173 -4.014 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -8.071 13.454 -6.799 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -8.493 11.762 -6.632 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -10.622 12.811 -6.581 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -10.277 12.599 -4.876 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -9.080 15.017 -5.214 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -10.244 15.130 -6.519 1.00 0.00 H new ATOM 0 HE ARG A 30 -12.082 15.031 -4.891 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -9.986 13.229 -3.218 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -9.959 14.174 -1.726 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -11.580 16.933 -3.223 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -10.877 16.307 -1.728 1.00 0.00 H new ATOM 455 N TYR A 31 -7.040 10.345 -5.315 1.00 0.00 N ATOM 456 CA TYR A 31 -6.883 8.910 -4.926 1.00 0.00 C ATOM 457 C TYR A 31 -5.898 8.142 -5.820 1.00 0.00 C ATOM 458 O TYR A 31 -5.301 8.687 -6.734 1.00 0.00 O ATOM 459 CB TYR A 31 -8.258 8.221 -4.997 1.00 0.00 C ATOM 460 CG TYR A 31 -9.008 8.671 -6.247 1.00 0.00 C ATOM 461 CD1 TYR A 31 -8.739 8.096 -7.469 1.00 0.00 C ATOM 462 CD2 TYR A 31 -9.993 9.632 -6.162 1.00 0.00 C ATOM 463 CE1 TYR A 31 -9.446 8.475 -8.589 1.00 0.00 C ATOM 464 CE2 TYR A 31 -10.701 10.011 -7.282 1.00 0.00 C ATOM 465 CZ TYR A 31 -10.433 9.436 -8.504 1.00 0.00 C ATOM 466 OH TYR A 31 -11.139 9.817 -9.626 1.00 0.00 O ATOM 0 H TYR A 31 -6.757 10.588 -6.264 1.00 0.00 H new ATOM 0 HA TYR A 31 -6.477 8.896 -3.915 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -8.130 7.139 -5.010 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -8.840 8.462 -4.108 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -7.969 7.343 -7.550 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -10.212 10.092 -5.210 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -9.226 8.016 -9.542 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -11.471 10.764 -7.201 1.00 0.00 H new ATOM 0 HH TYR A 31 -11.795 10.503 -9.382 1.00 0.00 H new ATOM 476 N TYR A 32 -5.768 6.870 -5.511 1.00 0.00 N ATOM 477 CA TYR A 32 -4.850 5.971 -6.275 1.00 0.00 C ATOM 478 C TYR A 32 -5.521 4.630 -6.559 1.00 0.00 C ATOM 479 O TYR A 32 -6.613 4.369 -6.095 1.00 0.00 O ATOM 480 CB TYR A 32 -3.647 5.660 -5.368 1.00 0.00 C ATOM 481 CG TYR A 32 -2.367 6.302 -5.900 1.00 0.00 C ATOM 482 CD1 TYR A 32 -2.205 7.666 -5.879 1.00 0.00 C ATOM 483 CD2 TYR A 32 -1.321 5.509 -6.344 1.00 0.00 C ATOM 484 CE1 TYR A 32 -1.017 8.232 -6.289 1.00 0.00 C ATOM 485 CE2 TYR A 32 -0.136 6.080 -6.752 1.00 0.00 C ATOM 486 CZ TYR A 32 0.022 7.445 -6.724 1.00 0.00 C ATOM 487 OH TYR A 32 1.213 8.018 -7.094 1.00 0.00 O ATOM 0 H TYR A 32 -6.269 6.414 -4.749 1.00 0.00 H new ATOM 0 HA TYR A 32 -4.573 6.460 -7.209 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -3.846 6.023 -4.360 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -3.512 4.581 -5.297 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -3.012 8.298 -5.540 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -1.436 4.435 -6.370 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -0.902 9.306 -6.268 1.00 0.00 H new ATOM 0 HE2 TYR A 32 0.673 5.452 -7.096 1.00 0.00 H new ATOM 0 HH TYR A 32 1.076 8.570 -7.892 1.00 0.00 H new ATOM 497 N ARG A 33 -4.852 3.802 -7.322 1.00 0.00 N ATOM 498 CA ARG A 33 -5.438 2.465 -7.642 1.00 0.00 C ATOM 499 C ARG A 33 -4.356 1.418 -7.674 1.00 0.00 C ATOM 500 O ARG A 33 -3.233 1.706 -8.008 1.00 0.00 O ATOM 501 CB ARG A 33 -6.115 2.496 -9.015 1.00 0.00 C ATOM 502 CG ARG A 33 -7.136 1.358 -9.104 1.00 0.00 C ATOM 503 CD ARG A 33 -7.786 1.383 -10.492 1.00 0.00 C ATOM 504 NE ARG A 33 -9.259 1.211 -10.345 1.00 0.00 N ATOM 505 CZ ARG A 33 -10.063 2.061 -10.925 1.00 0.00 C ATOM 506 NH1 ARG A 33 -10.324 3.190 -10.325 1.00 0.00 N ATOM 507 NH2 ARG A 33 -10.580 1.754 -12.084 1.00 0.00 N ATOM 0 H ARG A 33 -3.937 3.990 -7.732 1.00 0.00 H new ATOM 0 HA ARG A 33 -6.170 2.224 -6.871 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -6.609 3.456 -9.168 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -5.369 2.393 -9.803 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -6.647 0.399 -8.934 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -7.895 1.471 -8.330 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -7.566 2.326 -10.993 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -7.375 0.588 -11.114 1.00 0.00 H new ATOM 0 HE ARG A 33 -9.635 0.437 -9.797 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -9.902 3.396 -9.419 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -10.950 3.867 -10.762 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -10.354 0.861 -12.523 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -11.210 2.407 -12.550 1.00 0.00 H new ATOM 521 N ILE A 34 -4.714 0.219 -7.304 1.00 0.00 N ATOM 522 CA ILE A 34 -3.714 -0.882 -7.304 1.00 0.00 C ATOM 523 C ILE A 34 -4.354 -2.173 -7.810 1.00 0.00 C ATOM 524 O ILE A 34 -5.163 -2.777 -7.131 1.00 0.00 O ATOM 525 CB ILE A 34 -3.202 -1.094 -5.859 1.00 0.00 C ATOM 526 CG1 ILE A 34 -2.471 0.167 -5.377 1.00 0.00 C ATOM 527 CG2 ILE A 34 -2.189 -2.271 -5.852 1.00 0.00 C ATOM 528 CD1 ILE A 34 -3.444 1.056 -4.596 1.00 0.00 C ATOM 0 H ILE A 34 -5.652 -0.044 -7.003 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.885 -0.618 -7.961 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.049 -1.307 -5.206 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.627 -0.109 -4.745 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.067 0.714 -6.229 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.822 -2.429 -4.838 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.682 -3.177 -6.205 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.352 -2.034 -6.508 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.925 1.951 -4.254 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.274 1.343 -5.242 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.827 0.508 -3.735 1.00 0.00 H new ATOM 540 N THR A 35 -3.976 -2.560 -9.007 1.00 0.00 N ATOM 541 CA THR A 35 -4.533 -3.805 -9.607 1.00 0.00 C ATOM 542 C THR A 35 -3.420 -4.806 -9.886 1.00 0.00 C ATOM 543 O THR A 35 -2.367 -4.432 -10.367 1.00 0.00 O ATOM 544 CB THR A 35 -5.189 -3.433 -10.939 1.00 0.00 C ATOM 545 OG1 THR A 35 -4.160 -3.543 -11.902 1.00 0.00 O ATOM 546 CG2 THR A 35 -5.579 -1.945 -10.964 1.00 0.00 C ATOM 0 H THR A 35 -3.304 -2.063 -9.591 1.00 0.00 H new ATOM 0 HA THR A 35 -5.250 -4.251 -8.917 1.00 0.00 H new ATOM 0 HB THR A 35 -6.065 -4.060 -11.107 1.00 0.00 H new ATOM 0 HG1 THR A 35 -4.515 -3.318 -12.787 1.00 0.00 H new ATOM 0 HG21 THR A 35 -6.043 -1.707 -11.921 1.00 0.00 H new ATOM 0 HG22 THR A 35 -6.284 -1.740 -10.158 1.00 0.00 H new ATOM 0 HG23 THR A 35 -4.687 -1.333 -10.831 1.00 0.00 H new ATOM 554 N TYR A 36 -3.666 -6.068 -9.583 1.00 0.00 N ATOM 555 CA TYR A 36 -2.614 -7.083 -9.836 1.00 0.00 C ATOM 556 C TYR A 36 -3.210 -8.342 -10.435 1.00 0.00 C ATOM 557 O TYR A 36 -4.291 -8.774 -10.053 1.00 0.00 O ATOM 558 CB TYR A 36 -1.913 -7.430 -8.505 1.00 0.00 C ATOM 559 CG TYR A 36 -2.937 -7.528 -7.368 1.00 0.00 C ATOM 560 CD1 TYR A 36 -3.592 -6.400 -6.906 1.00 0.00 C ATOM 561 CD2 TYR A 36 -3.199 -8.743 -6.765 1.00 0.00 C ATOM 562 CE1 TYR A 36 -4.489 -6.490 -5.868 1.00 0.00 C ATOM 563 CE2 TYR A 36 -4.097 -8.827 -5.723 1.00 0.00 C ATOM 564 CZ TYR A 36 -4.749 -7.702 -5.267 1.00 0.00 C ATOM 565 OH TYR A 36 -5.641 -7.788 -4.220 1.00 0.00 O ATOM 0 H TYR A 36 -4.534 -6.421 -9.181 1.00 0.00 H new ATOM 0 HA TYR A 36 -1.895 -6.671 -10.544 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -1.379 -8.375 -8.604 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -1.170 -6.668 -8.269 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -3.397 -5.442 -7.364 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -2.696 -9.633 -7.113 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -4.995 -5.601 -5.520 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -4.291 -9.783 -5.260 1.00 0.00 H new ATOM 0 HH TYR A 36 -5.703 -8.718 -3.919 1.00 0.00 H new ATOM 575 N GLY A 37 -2.496 -8.900 -11.381 1.00 0.00 N ATOM 576 CA GLY A 37 -2.982 -10.142 -12.043 1.00 0.00 C ATOM 577 C GLY A 37 -1.837 -10.811 -12.812 1.00 0.00 C ATOM 578 O GLY A 37 -0.919 -10.150 -13.262 1.00 0.00 O ATOM 0 H GLY A 37 -1.601 -8.548 -11.720 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.380 -10.830 -11.297 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.799 -9.904 -12.725 1.00 0.00 H new ATOM 582 N GLU A 38 -1.911 -12.105 -12.949 1.00 0.00 N ATOM 583 CA GLU A 38 -0.837 -12.818 -13.683 1.00 0.00 C ATOM 584 C GLU A 38 -0.937 -12.545 -15.182 1.00 0.00 C ATOM 585 O GLU A 38 -1.975 -12.149 -15.672 1.00 0.00 O ATOM 586 CB GLU A 38 -1.012 -14.330 -13.443 1.00 0.00 C ATOM 587 CG GLU A 38 0.331 -15.041 -13.648 1.00 0.00 C ATOM 588 CD GLU A 38 0.097 -16.348 -14.405 1.00 0.00 C ATOM 589 OE1 GLU A 38 0.075 -16.271 -15.623 1.00 0.00 O ATOM 590 OE2 GLU A 38 -0.050 -17.349 -13.724 1.00 0.00 O ATOM 0 H GLU A 38 -2.662 -12.693 -12.587 1.00 0.00 H new ATOM 0 HA GLU A 38 0.133 -12.472 -13.327 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.379 -14.508 -12.432 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.757 -14.734 -14.128 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.014 -14.401 -14.206 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.800 -15.243 -12.685 1.00 0.00 H new ATOM 597 N THR A 39 0.150 -12.751 -15.880 1.00 0.00 N ATOM 598 CA THR A 39 0.131 -12.507 -17.345 1.00 0.00 C ATOM 599 C THR A 39 -0.592 -13.637 -18.076 1.00 0.00 C ATOM 600 O THR A 39 -0.097 -14.171 -19.050 1.00 0.00 O ATOM 601 CB THR A 39 1.575 -12.433 -17.847 1.00 0.00 C ATOM 602 OG1 THR A 39 2.097 -11.232 -17.313 1.00 0.00 O ATOM 603 CG2 THR A 39 1.607 -12.224 -19.367 1.00 0.00 C ATOM 0 H THR A 39 1.040 -13.074 -15.500 1.00 0.00 H new ATOM 0 HA THR A 39 -0.396 -11.573 -17.541 1.00 0.00 H new ATOM 0 HB THR A 39 2.111 -13.341 -17.571 1.00 0.00 H new ATOM 0 HG1 THR A 39 1.520 -10.920 -16.585 1.00 0.00 H new ATOM 0 HG21 THR A 39 2.642 -12.174 -19.706 1.00 0.00 H new ATOM 0 HG22 THR A 39 1.104 -13.056 -19.859 1.00 0.00 H new ATOM 0 HG23 THR A 39 1.098 -11.293 -19.617 1.00 0.00 H new ATOM 611 N GLY A 40 -1.748 -13.979 -17.591 1.00 0.00 N ATOM 612 CA GLY A 40 -2.526 -15.071 -18.239 1.00 0.00 C ATOM 613 C GLY A 40 -3.466 -15.722 -17.223 1.00 0.00 C ATOM 614 O GLY A 40 -4.627 -15.369 -17.135 1.00 0.00 O ATOM 0 H GLY A 40 -2.189 -13.553 -16.776 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.101 -14.672 -19.074 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.846 -15.819 -18.648 1.00 0.00 H new ATOM 618 N GLY A 41 -2.933 -16.654 -16.470 1.00 0.00 N ATOM 619 CA GLY A 41 -3.765 -17.353 -15.445 1.00 0.00 C ATOM 620 C GLY A 41 -5.175 -17.612 -15.973 1.00 0.00 C ATOM 621 O GLY A 41 -5.374 -17.781 -17.160 1.00 0.00 O ATOM 0 H GLY A 41 -1.961 -16.959 -16.522 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -3.295 -18.298 -15.172 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -3.817 -16.749 -14.539 1.00 0.00 H new ATOM 625 N ASN A 42 -6.123 -17.636 -15.071 1.00 0.00 N ATOM 626 CA ASN A 42 -7.529 -17.879 -15.478 1.00 0.00 C ATOM 627 C ASN A 42 -8.351 -16.604 -15.342 1.00 0.00 C ATOM 628 O ASN A 42 -9.449 -16.510 -15.856 1.00 0.00 O ATOM 629 CB ASN A 42 -8.117 -18.952 -14.552 1.00 0.00 C ATOM 630 CG ASN A 42 -8.530 -20.161 -15.387 1.00 0.00 C ATOM 631 OD1 ASN A 42 -7.705 -20.849 -15.954 1.00 0.00 O ATOM 632 ND2 ASN A 42 -9.796 -20.453 -15.495 1.00 0.00 N ATOM 0 H ASN A 42 -5.978 -17.497 -14.071 1.00 0.00 H new ATOM 0 HA ASN A 42 -7.556 -18.203 -16.518 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -7.382 -19.246 -13.803 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -8.978 -18.554 -14.015 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -10.089 -21.255 -16.053 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -10.494 -19.879 -15.021 1.00 0.00 H new ATOM 639 N SER A 43 -7.802 -15.643 -14.650 1.00 0.00 N ATOM 640 CA SER A 43 -8.533 -14.367 -14.469 1.00 0.00 C ATOM 641 C SER A 43 -7.729 -13.412 -13.556 1.00 0.00 C ATOM 642 O SER A 43 -6.903 -13.853 -12.784 1.00 0.00 O ATOM 643 CB SER A 43 -9.883 -14.680 -13.803 1.00 0.00 C ATOM 644 OG SER A 43 -9.991 -13.717 -12.766 1.00 0.00 O ATOM 0 H SER A 43 -6.885 -15.690 -14.207 1.00 0.00 H new ATOM 0 HA SER A 43 -8.678 -13.887 -15.437 1.00 0.00 H new ATOM 0 HB2 SER A 43 -10.706 -14.595 -14.512 1.00 0.00 H new ATOM 0 HB3 SER A 43 -9.906 -15.695 -13.408 1.00 0.00 H new ATOM 0 HG SER A 43 -10.835 -13.847 -12.286 1.00 0.00 H new ATOM 650 N PRO A 44 -7.992 -12.106 -13.658 1.00 0.00 N ATOM 651 CA PRO A 44 -7.282 -11.121 -12.834 1.00 0.00 C ATOM 652 C PRO A 44 -7.549 -11.340 -11.346 1.00 0.00 C ATOM 653 O PRO A 44 -8.683 -11.497 -10.937 1.00 0.00 O ATOM 654 CB PRO A 44 -7.866 -9.756 -13.254 1.00 0.00 C ATOM 655 CG PRO A 44 -9.017 -10.032 -14.267 1.00 0.00 C ATOM 656 CD PRO A 44 -8.999 -11.538 -14.578 1.00 0.00 C ATOM 0 HA PRO A 44 -6.204 -11.194 -12.980 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -8.241 -9.216 -12.385 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -7.096 -9.133 -13.709 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -9.978 -9.738 -13.846 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -8.876 -9.450 -15.177 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -9.979 -11.986 -14.416 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -8.732 -11.723 -15.618 1.00 0.00 H new ATOM 664 N VAL A 45 -6.502 -11.346 -10.560 1.00 0.00 N ATOM 665 CA VAL A 45 -6.701 -11.552 -9.105 1.00 0.00 C ATOM 666 C VAL A 45 -7.684 -10.552 -8.568 1.00 0.00 C ATOM 667 O VAL A 45 -8.821 -10.877 -8.298 1.00 0.00 O ATOM 668 CB VAL A 45 -5.364 -11.358 -8.376 1.00 0.00 C ATOM 669 CG1 VAL A 45 -5.570 -11.603 -6.879 1.00 0.00 C ATOM 670 CG2 VAL A 45 -4.347 -12.355 -8.915 1.00 0.00 C ATOM 0 H VAL A 45 -5.536 -11.219 -10.862 1.00 0.00 H new ATOM 0 HA VAL A 45 -7.081 -12.561 -8.944 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.000 -10.343 -8.537 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.624 -11.467 -6.355 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.304 -10.896 -6.492 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.928 -12.620 -6.723 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.396 -12.220 -8.399 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.709 -13.370 -8.749 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.207 -12.190 -9.983 1.00 0.00 H new ATOM 680 N GLN A 46 -7.238 -9.347 -8.414 1.00 0.00 N ATOM 681 CA GLN A 46 -8.159 -8.314 -7.887 1.00 0.00 C ATOM 682 C GLN A 46 -7.504 -6.938 -7.869 1.00 0.00 C ATOM 683 O GLN A 46 -6.388 -6.767 -8.317 1.00 0.00 O ATOM 684 CB GLN A 46 -8.553 -8.703 -6.448 1.00 0.00 C ATOM 685 CG GLN A 46 -10.072 -8.871 -6.372 1.00 0.00 C ATOM 686 CD GLN A 46 -10.737 -7.510 -6.572 1.00 0.00 C ATOM 687 OE1 GLN A 46 -10.554 -6.598 -5.790 1.00 0.00 O ATOM 688 NE2 GLN A 46 -11.513 -7.330 -7.606 1.00 0.00 N ATOM 0 H GLN A 46 -6.291 -9.033 -8.626 1.00 0.00 H new ATOM 0 HA GLN A 46 -9.034 -8.262 -8.535 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -8.057 -9.630 -6.160 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -8.224 -7.935 -5.748 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -10.411 -9.571 -7.135 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -10.356 -9.290 -5.407 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -11.670 -8.093 -8.265 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -11.963 -6.427 -7.755 1.00 0.00 H new ATOM 697 N GLU A 47 -8.221 -5.981 -7.348 1.00 0.00 N ATOM 698 CA GLU A 47 -7.677 -4.603 -7.282 1.00 0.00 C ATOM 699 C GLU A 47 -8.399 -3.802 -6.200 1.00 0.00 C ATOM 700 O GLU A 47 -9.392 -4.248 -5.658 1.00 0.00 O ATOM 701 CB GLU A 47 -7.918 -3.920 -8.639 1.00 0.00 C ATOM 702 CG GLU A 47 -9.424 -3.740 -8.857 1.00 0.00 C ATOM 703 CD GLU A 47 -9.693 -3.516 -10.348 1.00 0.00 C ATOM 704 OE1 GLU A 47 -9.752 -4.516 -11.043 1.00 0.00 O ATOM 705 OE2 GLU A 47 -9.825 -2.357 -10.707 1.00 0.00 O ATOM 0 H GLU A 47 -9.160 -6.097 -6.966 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.613 -4.645 -7.049 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -7.417 -2.952 -8.666 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.492 -4.521 -9.442 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.962 -4.621 -8.506 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.789 -2.892 -8.278 1.00 0.00 H new ATOM 712 N PHE A 48 -7.896 -2.631 -5.899 1.00 0.00 N ATOM 713 CA PHE A 48 -8.560 -1.810 -4.854 1.00 0.00 C ATOM 714 C PHE A 48 -8.059 -0.381 -4.886 1.00 0.00 C ATOM 715 O PHE A 48 -6.909 -0.126 -5.177 1.00 0.00 O ATOM 716 CB PHE A 48 -8.284 -2.422 -3.460 1.00 0.00 C ATOM 717 CG PHE A 48 -6.780 -2.450 -3.163 1.00 0.00 C ATOM 718 CD1 PHE A 48 -5.945 -3.302 -3.857 1.00 0.00 C ATOM 719 CD2 PHE A 48 -6.245 -1.663 -2.151 1.00 0.00 C ATOM 720 CE1 PHE A 48 -4.609 -3.373 -3.554 1.00 0.00 C ATOM 721 CE2 PHE A 48 -4.898 -1.741 -1.849 1.00 0.00 C ATOM 722 CZ PHE A 48 -4.083 -2.601 -2.551 1.00 0.00 C ATOM 0 H PHE A 48 -7.067 -2.217 -6.326 1.00 0.00 H new ATOM 0 HA PHE A 48 -9.632 -1.805 -5.052 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -8.799 -1.841 -2.695 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -8.686 -3.434 -3.417 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -6.348 -3.919 -4.647 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -6.883 -0.989 -1.599 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -3.968 -4.041 -4.109 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -4.485 -1.127 -1.062 1.00 0.00 H new ATOM 0 HZ PHE A 48 -3.032 -2.667 -2.312 1.00 0.00 H new ATOM 732 N THR A 49 -8.941 0.530 -4.583 1.00 0.00 N ATOM 733 CA THR A 49 -8.546 1.950 -4.589 1.00 0.00 C ATOM 734 C THR A 49 -8.053 2.405 -3.223 1.00 0.00 C ATOM 735 O THR A 49 -8.182 1.702 -2.242 1.00 0.00 O ATOM 736 CB THR A 49 -9.770 2.785 -4.975 1.00 0.00 C ATOM 737 OG1 THR A 49 -10.701 2.583 -3.933 1.00 0.00 O ATOM 738 CG2 THR A 49 -10.457 2.211 -6.225 1.00 0.00 C ATOM 0 H THR A 49 -9.913 0.346 -4.333 1.00 0.00 H new ATOM 0 HA THR A 49 -7.731 2.081 -5.301 1.00 0.00 H new ATOM 0 HB THR A 49 -9.471 3.819 -5.147 1.00 0.00 H new ATOM 0 HG1 THR A 49 -11.515 3.096 -4.118 1.00 0.00 H new ATOM 0 HG21 THR A 49 -11.323 2.823 -6.477 1.00 0.00 H new ATOM 0 HG22 THR A 49 -9.755 2.213 -7.059 1.00 0.00 H new ATOM 0 HG23 THR A 49 -10.780 1.189 -6.026 1.00 0.00 H new ATOM 746 N VAL A 50 -7.495 3.583 -3.193 1.00 0.00 N ATOM 747 CA VAL A 50 -6.980 4.124 -1.916 1.00 0.00 C ATOM 748 C VAL A 50 -6.811 5.667 -2.043 1.00 0.00 C ATOM 749 O VAL A 50 -6.323 6.131 -3.049 1.00 0.00 O ATOM 750 CB VAL A 50 -5.596 3.484 -1.669 1.00 0.00 C ATOM 751 CG1 VAL A 50 -4.595 4.062 -2.663 1.00 0.00 C ATOM 752 CG2 VAL A 50 -5.122 3.793 -0.245 1.00 0.00 C ATOM 0 H VAL A 50 -7.376 4.192 -4.003 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.665 3.904 -1.097 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.672 2.404 -1.796 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.615 3.615 -2.495 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.924 3.844 -3.679 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.529 5.141 -2.527 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.145 3.338 -0.080 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.046 4.872 -0.113 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.837 3.389 0.472 1.00 0.00 H new ATOM 762 N PRO A 51 -7.224 6.447 -1.025 1.00 0.00 N ATOM 763 CA PRO A 51 -7.088 7.915 -1.090 1.00 0.00 C ATOM 764 C PRO A 51 -5.622 8.375 -1.205 1.00 0.00 C ATOM 765 O PRO A 51 -5.299 9.494 -0.858 1.00 0.00 O ATOM 766 CB PRO A 51 -7.673 8.425 0.247 1.00 0.00 C ATOM 767 CG PRO A 51 -8.084 7.180 1.083 1.00 0.00 C ATOM 768 CD PRO A 51 -7.861 5.941 0.203 1.00 0.00 C ATOM 0 HA PRO A 51 -7.597 8.303 -1.973 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -6.936 9.022 0.785 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -8.535 9.068 0.068 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -7.489 7.116 1.994 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -9.128 7.251 1.389 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -7.225 5.212 0.704 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -8.804 5.442 -0.020 1.00 0.00 H new ATOM 776 N GLY A 52 -4.764 7.510 -1.684 1.00 0.00 N ATOM 777 CA GLY A 52 -3.328 7.897 -1.820 1.00 0.00 C ATOM 778 C GLY A 52 -2.792 8.426 -0.488 1.00 0.00 C ATOM 779 O GLY A 52 -1.684 8.923 -0.414 1.00 0.00 O ATOM 0 H GLY A 52 -4.993 6.562 -1.984 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.741 7.036 -2.140 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.221 8.660 -2.591 1.00 0.00 H new ATOM 783 N SER A 53 -3.588 8.303 0.539 1.00 0.00 N ATOM 784 CA SER A 53 -3.150 8.788 1.866 1.00 0.00 C ATOM 785 C SER A 53 -2.068 7.887 2.442 1.00 0.00 C ATOM 786 O SER A 53 -1.224 8.331 3.192 1.00 0.00 O ATOM 787 CB SER A 53 -4.364 8.773 2.804 1.00 0.00 C ATOM 788 OG SER A 53 -4.630 10.145 3.051 1.00 0.00 O ATOM 0 H SER A 53 -4.519 7.888 0.511 1.00 0.00 H new ATOM 0 HA SER A 53 -2.743 9.794 1.765 1.00 0.00 H new ATOM 0 HB2 SER A 53 -5.218 8.279 2.342 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.147 8.237 3.728 1.00 0.00 H new ATOM 0 HG SER A 53 -5.403 10.226 3.648 1.00 0.00 H new ATOM 794 N LYS A 54 -2.111 6.635 2.078 1.00 0.00 N ATOM 795 CA LYS A 54 -1.091 5.694 2.596 1.00 0.00 C ATOM 796 C LYS A 54 0.070 5.562 1.618 1.00 0.00 C ATOM 797 O LYS A 54 -0.093 5.759 0.427 1.00 0.00 O ATOM 798 CB LYS A 54 -1.754 4.317 2.775 1.00 0.00 C ATOM 799 CG LYS A 54 -3.138 4.508 3.402 1.00 0.00 C ATOM 800 CD LYS A 54 -3.663 3.158 3.897 1.00 0.00 C ATOM 801 CE LYS A 54 -5.193 3.155 3.813 1.00 0.00 C ATOM 802 NZ LYS A 54 -5.752 4.372 4.465 1.00 0.00 N ATOM 0 H LYS A 54 -2.804 6.230 1.449 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.704 6.069 3.544 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.843 3.814 1.812 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.137 3.682 3.411 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.080 5.214 4.231 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.826 4.932 2.670 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -3.251 2.350 3.293 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.342 2.983 4.924 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.506 3.118 2.770 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.588 2.262 4.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -6.755 4.216 4.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -5.227 4.568 5.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -5.664 5.183 3.820 1.00 0.00 H new ATOM 816 N SER A 55 1.226 5.239 2.142 1.00 0.00 N ATOM 817 CA SER A 55 2.419 5.087 1.267 1.00 0.00 C ATOM 818 C SER A 55 2.728 3.617 1.029 1.00 0.00 C ATOM 819 O SER A 55 3.515 3.274 0.161 1.00 0.00 O ATOM 820 CB SER A 55 3.621 5.731 1.977 1.00 0.00 C ATOM 821 OG SER A 55 3.918 6.876 1.193 1.00 0.00 O ATOM 0 H SER A 55 1.391 5.075 3.135 1.00 0.00 H new ATOM 0 HA SER A 55 2.223 5.565 0.307 1.00 0.00 H new ATOM 0 HB2 SER A 55 3.377 6.004 3.004 1.00 0.00 H new ATOM 0 HB3 SER A 55 4.469 5.048 2.022 1.00 0.00 H new ATOM 0 HG SER A 55 4.681 7.351 1.583 1.00 0.00 H new ATOM 827 N THR A 56 2.095 2.774 1.807 1.00 0.00 N ATOM 828 CA THR A 56 2.322 1.310 1.661 1.00 0.00 C ATOM 829 C THR A 56 1.003 0.557 1.580 1.00 0.00 C ATOM 830 O THR A 56 -0.050 1.121 1.797 1.00 0.00 O ATOM 831 CB THR A 56 3.088 0.816 2.893 1.00 0.00 C ATOM 832 OG1 THR A 56 2.123 0.733 3.923 1.00 0.00 O ATOM 833 CG2 THR A 56 4.082 1.877 3.381 1.00 0.00 C ATOM 0 H THR A 56 1.432 3.040 2.535 1.00 0.00 H new ATOM 0 HA THR A 56 2.884 1.131 0.744 1.00 0.00 H new ATOM 0 HB THR A 56 3.607 -0.113 2.657 1.00 0.00 H new ATOM 0 HG1 THR A 56 2.550 0.418 4.747 1.00 0.00 H new ATOM 0 HG21 THR A 56 4.613 1.503 4.256 1.00 0.00 H new ATOM 0 HG22 THR A 56 4.798 2.097 2.589 1.00 0.00 H new ATOM 0 HG23 THR A 56 3.543 2.787 3.646 1.00 0.00 H new ATOM 841 N ALA A 57 1.081 -0.712 1.268 1.00 0.00 N ATOM 842 CA ALA A 57 -0.167 -1.507 1.172 1.00 0.00 C ATOM 843 C ALA A 57 0.099 -2.999 1.380 1.00 0.00 C ATOM 844 O ALA A 57 1.006 -3.565 0.790 1.00 0.00 O ATOM 845 CB ALA A 57 -0.769 -1.300 -0.228 1.00 0.00 C ATOM 0 H ALA A 57 1.945 -1.221 1.079 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.852 -1.173 1.951 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -1.689 -1.878 -0.318 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.989 -0.243 -0.377 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.057 -1.633 -0.983 1.00 0.00 H new ATOM 851 N THR A 58 -0.705 -3.600 2.223 1.00 0.00 N ATOM 852 CA THR A 58 -0.543 -5.050 2.504 1.00 0.00 C ATOM 853 C THR A 58 -1.621 -5.848 1.786 1.00 0.00 C ATOM 854 O THR A 58 -2.792 -5.548 1.902 1.00 0.00 O ATOM 855 CB THR A 58 -0.700 -5.265 4.012 1.00 0.00 C ATOM 856 OG1 THR A 58 0.143 -4.306 4.613 1.00 0.00 O ATOM 857 CG2 THR A 58 -0.116 -6.619 4.437 1.00 0.00 C ATOM 0 H THR A 58 -1.466 -3.144 2.726 1.00 0.00 H new ATOM 0 HA THR A 58 0.437 -5.381 2.159 1.00 0.00 H new ATOM 0 HB THR A 58 -1.753 -5.204 4.287 1.00 0.00 H new ATOM 0 HG1 THR A 58 0.089 -4.388 5.588 1.00 0.00 H new ATOM 0 HG21 THR A 58 -0.240 -6.747 5.512 1.00 0.00 H new ATOM 0 HG22 THR A 58 -0.637 -7.420 3.913 1.00 0.00 H new ATOM 0 HG23 THR A 58 0.945 -6.652 4.188 1.00 0.00 H new ATOM 865 N ILE A 59 -1.204 -6.855 1.058 1.00 0.00 N ATOM 866 CA ILE A 59 -2.186 -7.692 0.317 1.00 0.00 C ATOM 867 C ILE A 59 -2.002 -9.166 0.644 1.00 0.00 C ATOM 868 O ILE A 59 -0.888 -9.644 0.752 1.00 0.00 O ATOM 869 CB ILE A 59 -1.934 -7.471 -1.170 1.00 0.00 C ATOM 870 CG1 ILE A 59 -2.680 -6.229 -1.626 1.00 0.00 C ATOM 871 CG2 ILE A 59 -2.461 -8.689 -1.965 1.00 0.00 C ATOM 872 CD1 ILE A 59 -2.232 -5.847 -3.042 1.00 0.00 C ATOM 0 H ILE A 59 -0.228 -7.130 0.948 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.201 -7.411 0.599 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.865 -7.348 -1.343 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.754 -6.413 -1.611 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.488 -5.405 -0.939 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -2.282 -8.534 -3.029 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -1.942 -9.590 -1.637 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.531 -8.803 -1.790 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -2.769 -4.956 -3.366 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -1.161 -5.645 -3.043 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -2.447 -6.668 -3.726 1.00 0.00 H new ATOM 884 N SER A 60 -3.108 -9.862 0.790 1.00 0.00 N ATOM 885 CA SER A 60 -3.035 -11.311 1.111 1.00 0.00 C ATOM 886 C SER A 60 -3.888 -12.134 0.159 1.00 0.00 C ATOM 887 O SER A 60 -5.036 -11.822 -0.086 1.00 0.00 O ATOM 888 CB SER A 60 -3.555 -11.515 2.540 1.00 0.00 C ATOM 889 OG SER A 60 -2.635 -12.431 3.114 1.00 0.00 O ATOM 0 H SER A 60 -4.051 -9.484 0.700 1.00 0.00 H new ATOM 0 HA SER A 60 -2.000 -11.639 1.014 1.00 0.00 H new ATOM 0 HB2 SER A 60 -3.581 -10.576 3.093 1.00 0.00 H new ATOM 0 HB3 SER A 60 -4.569 -11.914 2.542 1.00 0.00 H new ATOM 0 HG SER A 60 -2.048 -12.787 2.414 1.00 0.00 H new ATOM 895 N GLY A 61 -3.303 -13.175 -0.358 1.00 0.00 N ATOM 896 CA GLY A 61 -4.048 -14.046 -1.301 1.00 0.00 C ATOM 897 C GLY A 61 -3.073 -14.732 -2.259 1.00 0.00 C ATOM 898 O GLY A 61 -3.473 -15.458 -3.146 1.00 0.00 O ATOM 0 H GLY A 61 -2.342 -13.459 -0.168 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.615 -14.795 -0.747 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.769 -13.453 -1.865 1.00 0.00 H new ATOM 902 N LEU A 62 -1.805 -14.479 -2.056 1.00 0.00 N ATOM 903 CA LEU A 62 -0.781 -15.097 -2.934 1.00 0.00 C ATOM 904 C LEU A 62 -0.292 -16.424 -2.365 1.00 0.00 C ATOM 905 O LEU A 62 -0.702 -16.843 -1.301 1.00 0.00 O ATOM 906 CB LEU A 62 0.431 -14.154 -3.014 1.00 0.00 C ATOM 907 CG LEU A 62 0.083 -12.918 -3.856 1.00 0.00 C ATOM 908 CD1 LEU A 62 -0.826 -11.967 -3.056 1.00 0.00 C ATOM 909 CD2 LEU A 62 1.382 -12.193 -4.212 1.00 0.00 C ATOM 0 H LEU A 62 -1.441 -13.872 -1.321 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.230 -15.268 -3.913 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.730 -13.848 -2.012 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.280 -14.677 -3.455 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.442 -13.228 -4.759 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.065 -11.095 -3.664 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.746 -12.485 -2.786 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.311 -11.647 -2.150 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.154 -11.311 -4.811 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.891 -11.889 -3.298 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.027 -12.862 -4.782 1.00 0.00 H new ATOM 921 N LYS A 63 0.584 -17.052 -3.099 1.00 0.00 N ATOM 922 CA LYS A 63 1.141 -18.355 -2.655 1.00 0.00 C ATOM 923 C LYS A 63 2.213 -18.880 -3.631 1.00 0.00 C ATOM 924 O LYS A 63 3.241 -19.377 -3.210 1.00 0.00 O ATOM 925 CB LYS A 63 0.011 -19.405 -2.524 1.00 0.00 C ATOM 926 CG LYS A 63 0.107 -20.071 -1.145 1.00 0.00 C ATOM 927 CD LYS A 63 -0.790 -21.314 -1.124 1.00 0.00 C ATOM 928 CE LYS A 63 -0.676 -22.002 0.245 1.00 0.00 C ATOM 929 NZ LYS A 63 -1.880 -21.715 1.081 1.00 0.00 N ATOM 0 H LYS A 63 0.939 -16.714 -3.993 1.00 0.00 H new ATOM 0 HA LYS A 63 1.610 -18.193 -1.685 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.962 -18.929 -2.645 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.100 -20.154 -3.311 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.139 -20.349 -0.933 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.201 -19.372 -0.368 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.825 -21.032 -1.317 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.494 -22.003 -1.915 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.569 -23.078 0.109 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.221 -21.655 0.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -1.784 -22.189 2.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -1.965 -20.689 1.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.731 -22.068 0.597 1.00 0.00 H new ATOM 943 N PRO A 64 1.954 -18.759 -4.933 1.00 0.00 N ATOM 944 CA PRO A 64 2.897 -19.222 -5.945 1.00 0.00 C ATOM 945 C PRO A 64 4.028 -18.224 -6.161 1.00 0.00 C ATOM 946 O PRO A 64 4.163 -17.254 -5.439 1.00 0.00 O ATOM 947 CB PRO A 64 2.053 -19.322 -7.239 1.00 0.00 C ATOM 948 CG PRO A 64 0.649 -18.718 -6.919 1.00 0.00 C ATOM 949 CD PRO A 64 0.708 -18.197 -5.475 1.00 0.00 C ATOM 0 HA PRO A 64 3.363 -20.163 -5.651 1.00 0.00 H new ATOM 0 HB2 PRO A 64 2.530 -18.777 -8.053 1.00 0.00 H new ATOM 0 HB3 PRO A 64 1.962 -20.360 -7.560 1.00 0.00 H new ATOM 0 HG2 PRO A 64 0.408 -17.911 -7.611 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -0.130 -19.473 -7.026 1.00 0.00 H new ATOM 0 HD2 PRO A 64 0.718 -17.107 -5.446 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -0.158 -18.523 -4.899 1.00 0.00 H new ATOM 957 N GLY A 65 4.816 -18.490 -7.159 1.00 0.00 N ATOM 958 CA GLY A 65 5.959 -17.591 -7.477 1.00 0.00 C ATOM 959 C GLY A 65 6.110 -17.515 -8.991 1.00 0.00 C ATOM 960 O GLY A 65 6.928 -18.198 -9.571 1.00 0.00 O ATOM 0 H GLY A 65 4.719 -19.298 -7.774 1.00 0.00 H new ATOM 0 HA2 GLY A 65 5.785 -16.597 -7.064 1.00 0.00 H new ATOM 0 HA3 GLY A 65 6.875 -17.969 -7.024 1.00 0.00 H new ATOM 964 N VAL A 66 5.305 -16.679 -9.596 1.00 0.00 N ATOM 965 CA VAL A 66 5.365 -16.529 -11.075 1.00 0.00 C ATOM 966 C VAL A 66 5.407 -15.056 -11.502 1.00 0.00 C ATOM 967 O VAL A 66 5.440 -14.158 -10.676 1.00 0.00 O ATOM 968 CB VAL A 66 4.083 -17.192 -11.640 1.00 0.00 C ATOM 969 CG1 VAL A 66 2.849 -16.389 -11.195 1.00 0.00 C ATOM 970 CG2 VAL A 66 4.143 -17.243 -13.173 1.00 0.00 C ATOM 0 H VAL A 66 4.611 -16.096 -9.128 1.00 0.00 H new ATOM 0 HA VAL A 66 6.274 -16.996 -11.455 1.00 0.00 H new ATOM 0 HB VAL A 66 4.012 -18.210 -11.257 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.948 -16.856 -11.593 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.799 -16.373 -10.106 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.924 -15.368 -11.570 1.00 0.00 H new ATOM 0 HG21 VAL A 66 3.237 -17.711 -13.557 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.224 -16.230 -13.568 1.00 0.00 H new ATOM 0 HG23 VAL A 66 5.011 -17.824 -13.484 1.00 0.00 H new ATOM 980 N ASP A 67 5.415 -14.845 -12.794 1.00 0.00 N ATOM 981 CA ASP A 67 5.454 -13.465 -13.320 1.00 0.00 C ATOM 982 C ASP A 67 4.164 -12.743 -12.987 1.00 0.00 C ATOM 983 O ASP A 67 3.088 -13.213 -13.310 1.00 0.00 O ATOM 984 CB ASP A 67 5.608 -13.533 -14.849 1.00 0.00 C ATOM 985 CG ASP A 67 6.922 -12.864 -15.257 1.00 0.00 C ATOM 986 OD1 ASP A 67 6.907 -11.646 -15.338 1.00 0.00 O ATOM 987 OD2 ASP A 67 7.866 -13.607 -15.466 1.00 0.00 O ATOM 0 H ASP A 67 5.396 -15.578 -13.503 1.00 0.00 H new ATOM 0 HA ASP A 67 6.289 -12.926 -12.871 1.00 0.00 H new ATOM 0 HB2 ASP A 67 5.597 -14.571 -15.181 1.00 0.00 H new ATOM 0 HB3 ASP A 67 4.768 -13.035 -15.333 1.00 0.00 H new ATOM 992 N TYR A 68 4.294 -11.608 -12.349 1.00 0.00 N ATOM 993 CA TYR A 68 3.089 -10.829 -11.977 1.00 0.00 C ATOM 994 C TYR A 68 3.164 -9.406 -12.510 1.00 0.00 C ATOM 995 O TYR A 68 4.160 -8.727 -12.343 1.00 0.00 O ATOM 996 CB TYR A 68 3.024 -10.770 -10.447 1.00 0.00 C ATOM 997 CG TYR A 68 1.815 -11.566 -9.964 1.00 0.00 C ATOM 998 CD1 TYR A 68 0.539 -11.134 -10.247 1.00 0.00 C ATOM 999 CD2 TYR A 68 1.982 -12.726 -9.236 1.00 0.00 C ATOM 1000 CE1 TYR A 68 -0.552 -11.850 -9.812 1.00 0.00 C ATOM 1001 CE2 TYR A 68 0.888 -13.444 -8.801 1.00 0.00 C ATOM 1002 CZ TYR A 68 -0.389 -13.010 -9.085 1.00 0.00 C ATOM 1003 OH TYR A 68 -1.487 -13.722 -8.646 1.00 0.00 O ATOM 0 H TYR A 68 5.184 -11.193 -12.073 1.00 0.00 H new ATOM 0 HA TYR A 68 2.209 -11.310 -12.403 1.00 0.00 H new ATOM 0 HB2 TYR A 68 3.938 -11.178 -10.016 1.00 0.00 H new ATOM 0 HB3 TYR A 68 2.949 -9.735 -10.114 1.00 0.00 H new ATOM 0 HD1 TYR A 68 0.393 -10.227 -10.814 1.00 0.00 H new ATOM 0 HD2 TYR A 68 2.978 -13.075 -9.005 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -1.547 -11.500 -10.043 1.00 0.00 H new ATOM 0 HE2 TYR A 68 1.033 -14.352 -8.234 1.00 0.00 H new ATOM 0 HH TYR A 68 -1.187 -14.513 -8.151 1.00 0.00 H new ATOM 1013 N THR A 69 2.100 -8.985 -13.146 1.00 0.00 N ATOM 1014 CA THR A 69 2.065 -7.612 -13.705 1.00 0.00 C ATOM 1015 C THR A 69 1.169 -6.731 -12.847 1.00 0.00 C ATOM 1016 O THR A 69 0.006 -7.047 -12.630 1.00 0.00 O ATOM 1017 CB THR A 69 1.492 -7.678 -15.127 1.00 0.00 C ATOM 1018 OG1 THR A 69 1.825 -8.966 -15.603 1.00 0.00 O ATOM 1019 CG2 THR A 69 2.240 -6.717 -16.067 1.00 0.00 C ATOM 0 H THR A 69 1.257 -9.538 -13.299 1.00 0.00 H new ATOM 0 HA THR A 69 3.072 -7.194 -13.720 1.00 0.00 H new ATOM 0 HB THR A 69 0.428 -7.441 -15.106 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.874 -8.950 -16.582 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.815 -6.783 -17.068 1.00 0.00 H new ATOM 0 HG22 THR A 69 2.141 -5.696 -15.697 1.00 0.00 H new ATOM 0 HG23 THR A 69 3.295 -6.990 -16.102 1.00 0.00 H new ATOM 1027 N ILE A 70 1.727 -5.645 -12.367 1.00 0.00 N ATOM 1028 CA ILE A 70 0.935 -4.716 -11.514 1.00 0.00 C ATOM 1029 C ILE A 70 0.779 -3.364 -12.177 1.00 0.00 C ATOM 1030 O ILE A 70 1.485 -3.037 -13.113 1.00 0.00 O ATOM 1031 CB ILE A 70 1.684 -4.516 -10.199 1.00 0.00 C ATOM 1032 CG1 ILE A 70 3.049 -3.906 -10.476 1.00 0.00 C ATOM 1033 CG2 ILE A 70 1.884 -5.885 -9.534 1.00 0.00 C ATOM 1034 CD1 ILE A 70 3.040 -2.433 -10.061 1.00 0.00 C ATOM 0 H ILE A 70 2.694 -5.366 -12.531 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.053 -5.146 -11.354 1.00 0.00 H new ATOM 0 HB ILE A 70 1.112 -3.854 -9.549 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.819 -4.446 -9.925 1.00 0.00 H new ATOM 0 HG13 ILE A 70 3.292 -3.996 -11.535 1.00 0.00 H new ATOM 0 HG21 ILE A 70 2.418 -5.758 -8.593 1.00 0.00 H new ATOM 0 HG22 ILE A 70 0.913 -6.341 -9.341 1.00 0.00 H new ATOM 0 HG23 ILE A 70 2.463 -6.530 -10.195 1.00 0.00 H new ATOM 0 HD11 ILE A 70 4.018 -1.993 -10.259 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.280 -1.899 -10.631 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.816 -2.356 -8.997 1.00 0.00 H new ATOM 1046 N THR A 71 -0.147 -2.597 -11.680 1.00 0.00 N ATOM 1047 CA THR A 71 -0.368 -1.260 -12.261 1.00 0.00 C ATOM 1048 C THR A 71 -0.926 -0.313 -11.222 1.00 0.00 C ATOM 1049 O THR A 71 -1.708 -0.710 -10.378 1.00 0.00 O ATOM 1050 CB THR A 71 -1.372 -1.387 -13.414 1.00 0.00 C ATOM 1051 OG1 THR A 71 -0.766 -2.264 -14.343 1.00 0.00 O ATOM 1052 CG2 THR A 71 -1.509 -0.056 -14.170 1.00 0.00 C ATOM 0 H THR A 71 -0.756 -2.842 -10.899 1.00 0.00 H new ATOM 0 HA THR A 71 0.582 -0.865 -12.619 1.00 0.00 H new ATOM 0 HB THR A 71 -2.340 -1.707 -13.027 1.00 0.00 H new ATOM 0 HG1 THR A 71 0.185 -2.361 -14.129 1.00 0.00 H new ATOM 0 HG21 THR A 71 -2.226 -0.171 -14.983 1.00 0.00 H new ATOM 0 HG22 THR A 71 -1.858 0.717 -13.485 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.540 0.232 -14.579 1.00 0.00 H new ATOM 1060 N VAL A 72 -0.508 0.934 -11.295 1.00 0.00 N ATOM 1061 CA VAL A 72 -1.010 1.927 -10.312 1.00 0.00 C ATOM 1062 C VAL A 72 -1.447 3.198 -11.010 1.00 0.00 C ATOM 1063 O VAL A 72 -0.809 3.653 -11.953 1.00 0.00 O ATOM 1064 CB VAL A 72 0.115 2.262 -9.295 1.00 0.00 C ATOM 1065 CG1 VAL A 72 0.392 1.041 -8.413 1.00 0.00 C ATOM 1066 CG2 VAL A 72 1.388 2.622 -10.050 1.00 0.00 C ATOM 0 H VAL A 72 0.150 1.294 -11.986 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.868 1.499 -9.793 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.201 3.101 -8.674 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.182 1.279 -7.700 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -0.515 0.769 -7.873 1.00 0.00 H new ATOM 0 HG13 VAL A 72 0.706 0.205 -9.038 1.00 0.00 H new ATOM 0 HG21 VAL A 72 2.179 2.858 -9.338 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.695 1.778 -10.668 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.202 3.488 -10.685 1.00 0.00 H new ATOM 1076 N TYR A 73 -2.546 3.742 -10.542 1.00 0.00 N ATOM 1077 CA TYR A 73 -3.069 4.987 -11.147 1.00 0.00 C ATOM 1078 C TYR A 73 -2.885 6.150 -10.206 1.00 0.00 C ATOM 1079 O TYR A 73 -3.022 6.004 -8.997 1.00 0.00 O ATOM 1080 CB TYR A 73 -4.580 4.840 -11.392 1.00 0.00 C ATOM 1081 CG TYR A 73 -4.854 3.864 -12.545 1.00 0.00 C ATOM 1082 CD1 TYR A 73 -4.450 2.542 -12.475 1.00 0.00 C ATOM 1083 CD2 TYR A 73 -5.536 4.292 -13.667 1.00 0.00 C ATOM 1084 CE1 TYR A 73 -4.723 1.673 -13.508 1.00 0.00 C ATOM 1085 CE2 TYR A 73 -5.808 3.420 -14.696 1.00 0.00 C ATOM 1086 CZ TYR A 73 -5.404 2.105 -14.626 1.00 0.00 C ATOM 1087 OH TYR A 73 -5.684 1.234 -15.654 1.00 0.00 O ATOM 0 H TYR A 73 -3.096 3.371 -9.767 1.00 0.00 H new ATOM 0 HA TYR A 73 -2.529 5.163 -12.077 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -5.067 4.483 -10.484 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.012 5.814 -11.624 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -3.917 2.189 -11.604 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -5.859 5.320 -13.737 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -4.401 0.644 -13.442 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -6.343 3.770 -15.566 1.00 0.00 H new ATOM 0 HH TYR A 73 -6.171 1.708 -16.361 1.00 0.00 H new ATOM 1097 N ALA A 74 -2.584 7.281 -10.778 1.00 0.00 N ATOM 1098 CA ALA A 74 -2.379 8.501 -9.968 1.00 0.00 C ATOM 1099 C ALA A 74 -3.386 9.552 -10.402 1.00 0.00 C ATOM 1100 O ALA A 74 -3.125 10.323 -11.305 1.00 0.00 O ATOM 1101 CB ALA A 74 -0.963 9.016 -10.238 1.00 0.00 C ATOM 0 H ALA A 74 -2.471 7.408 -11.784 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.509 8.287 -8.907 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.786 9.917 -9.651 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -0.238 8.252 -9.957 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -0.855 9.246 -11.298 1.00 0.00 H new ATOM 1107 N VAL A 75 -4.519 9.570 -9.750 1.00 0.00 N ATOM 1108 CA VAL A 75 -5.550 10.565 -10.125 1.00 0.00 C ATOM 1109 C VAL A 75 -5.501 11.836 -9.275 1.00 0.00 C ATOM 1110 O VAL A 75 -5.871 11.835 -8.107 1.00 0.00 O ATOM 1111 CB VAL A 75 -6.924 9.905 -9.961 1.00 0.00 C ATOM 1112 CG1 VAL A 75 -7.985 10.801 -10.600 1.00 0.00 C ATOM 1113 CG2 VAL A 75 -6.916 8.549 -10.678 1.00 0.00 C ATOM 0 H VAL A 75 -4.768 8.944 -8.984 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.361 10.870 -11.154 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.145 9.764 -8.903 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.966 10.340 -10.488 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -7.984 11.774 -10.109 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.763 10.929 -11.659 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.890 8.073 -10.566 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -6.705 8.699 -11.737 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -6.148 7.911 -10.241 1.00 0.00 H new ATOM 1123 N THR A 76 -5.039 12.899 -9.900 1.00 0.00 N ATOM 1124 CA THR A 76 -4.938 14.210 -9.210 1.00 0.00 C ATOM 1125 C THR A 76 -5.698 15.234 -10.049 1.00 0.00 C ATOM 1126 O THR A 76 -6.171 16.240 -9.559 1.00 0.00 O ATOM 1127 CB THR A 76 -3.445 14.623 -9.101 1.00 0.00 C ATOM 1128 OG1 THR A 76 -2.842 13.629 -8.300 1.00 0.00 O ATOM 1129 CG2 THR A 76 -3.293 15.914 -8.284 1.00 0.00 C ATOM 0 H THR A 76 -4.726 12.903 -10.871 1.00 0.00 H new ATOM 0 HA THR A 76 -5.359 14.153 -8.206 1.00 0.00 H new ATOM 0 HB THR A 76 -3.023 14.748 -10.098 1.00 0.00 H new ATOM 0 HG1 THR A 76 -2.512 12.904 -8.871 1.00 0.00 H new ATOM 0 HG21 THR A 76 -2.239 16.183 -8.222 1.00 0.00 H new ATOM 0 HG22 THR A 76 -3.845 16.719 -8.770 1.00 0.00 H new ATOM 0 HG23 THR A 76 -3.688 15.758 -7.280 1.00 0.00 H new ATOM 1137 N GLY A 77 -5.803 14.913 -11.313 1.00 0.00 N ATOM 1138 CA GLY A 77 -6.521 15.795 -12.286 1.00 0.00 C ATOM 1139 C GLY A 77 -6.004 17.227 -12.269 1.00 0.00 C ATOM 1140 O GLY A 77 -5.938 17.862 -11.236 1.00 0.00 O ATOM 0 H GLY A 77 -5.415 14.062 -11.720 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -6.413 15.385 -13.290 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -7.586 15.794 -12.054 1.00 0.00 H new ATOM 1144 N ARG A 78 -5.660 17.706 -13.438 1.00 0.00 N ATOM 1145 CA ARG A 78 -5.144 19.090 -13.551 1.00 0.00 C ATOM 1146 C ARG A 78 -6.220 19.993 -14.138 1.00 0.00 C ATOM 1147 O ARG A 78 -6.883 19.630 -15.085 1.00 0.00 O ATOM 1148 CB ARG A 78 -3.928 19.097 -14.501 1.00 0.00 C ATOM 1149 CG ARG A 78 -3.274 17.703 -14.533 1.00 0.00 C ATOM 1150 CD ARG A 78 -2.895 17.279 -13.107 1.00 0.00 C ATOM 1151 NE ARG A 78 -1.493 16.768 -13.106 1.00 0.00 N ATOM 1152 CZ ARG A 78 -0.557 17.463 -12.515 1.00 0.00 C ATOM 1153 NH1 ARG A 78 -0.356 18.695 -12.889 1.00 0.00 N ATOM 1154 NH2 ARG A 78 0.145 16.900 -11.568 1.00 0.00 N ATOM 0 H ARG A 78 -5.717 17.191 -14.317 1.00 0.00 H new ATOM 0 HA ARG A 78 -4.859 19.450 -12.562 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -4.242 19.383 -15.505 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -3.202 19.840 -14.170 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -3.961 16.978 -14.968 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -2.387 17.721 -15.166 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -2.987 18.125 -12.426 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -3.577 16.507 -12.750 1.00 0.00 H new ATOM 0 HE ARG A 78 -1.267 15.884 -13.562 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -0.925 19.102 -13.632 1.00 0.00 H new ATOM 0 HH12 ARG A 78 0.370 19.253 -12.439 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -0.041 15.933 -11.301 1.00 0.00 H new ATOM 0 HH22 ARG A 78 0.880 17.427 -11.096 1.00 0.00 H new ATOM 1168 N GLY A 79 -6.380 21.153 -13.571 1.00 0.00 N ATOM 1169 CA GLY A 79 -7.420 22.075 -14.104 1.00 0.00 C ATOM 1170 C GLY A 79 -8.812 21.501 -13.830 1.00 0.00 C ATOM 1171 O GLY A 79 -9.314 21.585 -12.725 1.00 0.00 O ATOM 0 H GLY A 79 -5.846 21.500 -12.774 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -7.323 23.056 -13.638 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.279 22.216 -15.176 1.00 0.00 H new ATOM 1175 N ASP A 80 -9.407 20.930 -14.839 1.00 0.00 N ATOM 1176 CA ASP A 80 -10.759 20.349 -14.647 1.00 0.00 C ATOM 1177 C ASP A 80 -11.099 19.333 -15.739 1.00 0.00 C ATOM 1178 O ASP A 80 -11.690 18.306 -15.467 1.00 0.00 O ATOM 1179 CB ASP A 80 -11.787 21.489 -14.698 1.00 0.00 C ATOM 1180 CG ASP A 80 -11.165 22.707 -15.384 1.00 0.00 C ATOM 1181 OD1 ASP A 80 -10.941 22.601 -16.578 1.00 0.00 O ATOM 1182 OD2 ASP A 80 -10.953 23.677 -14.674 1.00 0.00 O ATOM 0 H ASP A 80 -9.019 20.842 -15.778 1.00 0.00 H new ATOM 0 HA ASP A 80 -10.780 19.834 -13.686 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -12.676 21.167 -15.241 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -12.106 21.750 -13.689 1.00 0.00 H new ATOM 1187 N SER A 81 -10.726 19.635 -16.953 1.00 0.00 N ATOM 1188 CA SER A 81 -11.027 18.691 -18.060 1.00 0.00 C ATOM 1189 C SER A 81 -9.980 17.559 -18.179 1.00 0.00 C ATOM 1190 O SER A 81 -10.339 16.413 -18.360 1.00 0.00 O ATOM 1191 CB SER A 81 -11.072 19.479 -19.383 1.00 0.00 C ATOM 1192 OG SER A 81 -12.406 19.309 -19.844 1.00 0.00 O ATOM 0 H SER A 81 -10.231 20.486 -17.222 1.00 0.00 H new ATOM 0 HA SER A 81 -11.987 18.222 -17.845 1.00 0.00 H new ATOM 0 HB2 SER A 81 -10.835 20.532 -19.228 1.00 0.00 H new ATOM 0 HB3 SER A 81 -10.350 19.092 -20.102 1.00 0.00 H new ATOM 0 HG SER A 81 -12.522 19.787 -20.692 1.00 0.00 H new ATOM 1198 N PRO A 82 -8.693 17.896 -18.080 1.00 0.00 N ATOM 1199 CA PRO A 82 -7.635 16.886 -18.182 1.00 0.00 C ATOM 1200 C PRO A 82 -7.629 15.917 -16.988 1.00 0.00 C ATOM 1201 O PRO A 82 -6.593 15.412 -16.603 1.00 0.00 O ATOM 1202 CB PRO A 82 -6.314 17.698 -18.211 1.00 0.00 C ATOM 1203 CG PRO A 82 -6.696 19.207 -18.125 1.00 0.00 C ATOM 1204 CD PRO A 82 -8.215 19.279 -17.892 1.00 0.00 C ATOM 0 HA PRO A 82 -7.778 16.264 -19.066 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -5.671 17.416 -17.377 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -5.757 17.494 -19.126 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -6.158 19.694 -17.312 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -6.423 19.726 -19.044 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -8.444 19.644 -16.891 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -8.691 19.961 -18.597 1.00 0.00 H new ATOM 1212 N ALA A 83 -8.785 15.664 -16.428 1.00 0.00 N ATOM 1213 CA ALA A 83 -8.838 14.736 -15.272 1.00 0.00 C ATOM 1214 C ALA A 83 -8.081 13.460 -15.581 1.00 0.00 C ATOM 1215 O ALA A 83 -7.197 13.066 -14.850 1.00 0.00 O ATOM 1216 CB ALA A 83 -10.307 14.385 -14.991 1.00 0.00 C ATOM 0 H ALA A 83 -9.680 16.057 -16.720 1.00 0.00 H new ATOM 0 HA ALA A 83 -8.383 15.217 -14.406 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -10.362 13.703 -14.143 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -10.861 15.295 -14.761 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -10.742 13.908 -15.869 1.00 0.00 H new ATOM 1222 N SER A 84 -8.438 12.838 -16.661 1.00 0.00 N ATOM 1223 CA SER A 84 -7.747 11.582 -17.039 1.00 0.00 C ATOM 1224 C SER A 84 -6.244 11.802 -17.067 1.00 0.00 C ATOM 1225 O SER A 84 -5.743 12.567 -17.867 1.00 0.00 O ATOM 1226 CB SER A 84 -8.215 11.166 -18.443 1.00 0.00 C ATOM 1227 OG SER A 84 -7.722 9.843 -18.593 1.00 0.00 O ATOM 0 H SER A 84 -9.175 13.142 -17.297 1.00 0.00 H new ATOM 0 HA SER A 84 -7.982 10.806 -16.311 1.00 0.00 H new ATOM 0 HB2 SER A 84 -9.301 11.199 -18.527 1.00 0.00 H new ATOM 0 HB3 SER A 84 -7.815 11.830 -19.210 1.00 0.00 H new ATOM 0 HG SER A 84 -7.980 9.495 -19.472 1.00 0.00 H new ATOM 1233 N SER A 85 -5.547 11.129 -16.195 1.00 0.00 N ATOM 1234 CA SER A 85 -4.073 11.297 -16.164 1.00 0.00 C ATOM 1235 C SER A 85 -3.370 10.265 -17.030 1.00 0.00 C ATOM 1236 O SER A 85 -3.897 9.825 -18.035 1.00 0.00 O ATOM 1237 CB SER A 85 -3.597 11.127 -14.717 1.00 0.00 C ATOM 1238 OG SER A 85 -4.470 11.953 -13.965 1.00 0.00 O ATOM 0 H SER A 85 -5.931 10.477 -15.511 1.00 0.00 H new ATOM 0 HA SER A 85 -3.832 12.287 -16.551 1.00 0.00 H new ATOM 0 HB2 SER A 85 -3.659 10.087 -14.397 1.00 0.00 H new ATOM 0 HB3 SER A 85 -2.558 11.435 -14.601 1.00 0.00 H new ATOM 0 HG SER A 85 -4.233 11.901 -13.016 1.00 0.00 H new ATOM 1244 N LYS A 86 -2.183 9.899 -16.611 1.00 0.00 N ATOM 1245 CA LYS A 86 -1.393 8.899 -17.372 1.00 0.00 C ATOM 1246 C LYS A 86 -0.920 7.761 -16.439 1.00 0.00 C ATOM 1247 O LYS A 86 0.171 7.819 -15.906 1.00 0.00 O ATOM 1248 CB LYS A 86 -0.148 9.616 -17.936 1.00 0.00 C ATOM 1249 CG LYS A 86 0.134 10.879 -17.107 1.00 0.00 C ATOM 1250 CD LYS A 86 1.490 11.470 -17.530 1.00 0.00 C ATOM 1251 CE LYS A 86 2.630 10.523 -17.123 1.00 0.00 C ATOM 1252 NZ LYS A 86 3.773 11.297 -16.561 1.00 0.00 N ATOM 0 H LYS A 86 -1.731 10.256 -15.769 1.00 0.00 H new ATOM 0 HA LYS A 86 -2.007 8.474 -18.166 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.714 8.949 -17.907 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -0.310 9.882 -18.981 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -0.659 11.612 -17.258 1.00 0.00 H new ATOM 0 HG3 LYS A 86 0.145 10.636 -16.044 1.00 0.00 H new ATOM 0 HD2 LYS A 86 1.506 11.628 -18.608 1.00 0.00 H new ATOM 0 HD3 LYS A 86 1.632 12.444 -17.063 1.00 0.00 H new ATOM 0 HE2 LYS A 86 2.270 9.806 -16.385 1.00 0.00 H new ATOM 0 HE3 LYS A 86 2.962 9.950 -17.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 4.535 10.643 -16.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 4.126 11.964 -17.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 3.456 11.825 -15.723 1.00 0.00 H new ATOM 1266 N PRO A 87 -1.756 6.733 -16.251 1.00 0.00 N ATOM 1267 CA PRO A 87 -1.387 5.614 -15.382 1.00 0.00 C ATOM 1268 C PRO A 87 -0.135 4.916 -15.896 1.00 0.00 C ATOM 1269 O PRO A 87 0.288 5.149 -17.010 1.00 0.00 O ATOM 1270 CB PRO A 87 -2.594 4.652 -15.436 1.00 0.00 C ATOM 1271 CG PRO A 87 -3.698 5.340 -16.297 1.00 0.00 C ATOM 1272 CD PRO A 87 -3.083 6.617 -16.888 1.00 0.00 C ATOM 0 HA PRO A 87 -1.165 5.947 -14.368 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -2.305 3.697 -15.874 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -2.964 4.443 -14.432 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -4.038 4.674 -17.090 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -4.569 5.579 -15.686 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -2.995 6.548 -17.972 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -3.701 7.489 -16.673 1.00 0.00 H new ATOM 1280 N ILE A 88 0.442 4.066 -15.076 1.00 0.00 N ATOM 1281 CA ILE A 88 1.671 3.356 -15.527 1.00 0.00 C ATOM 1282 C ILE A 88 1.703 1.936 -14.995 1.00 0.00 C ATOM 1283 O ILE A 88 1.344 1.692 -13.860 1.00 0.00 O ATOM 1284 CB ILE A 88 2.890 4.114 -14.993 1.00 0.00 C ATOM 1285 CG1 ILE A 88 4.169 3.528 -15.588 1.00 0.00 C ATOM 1286 CG2 ILE A 88 2.936 3.948 -13.466 1.00 0.00 C ATOM 1287 CD1 ILE A 88 5.382 4.261 -15.002 1.00 0.00 C ATOM 0 H ILE A 88 0.119 3.840 -14.135 1.00 0.00 H new ATOM 0 HA ILE A 88 1.680 3.317 -16.616 1.00 0.00 H new ATOM 0 HB ILE A 88 2.814 5.167 -15.266 1.00 0.00 H new ATOM 0 HG12 ILE A 88 4.232 2.462 -15.367 1.00 0.00 H new ATOM 0 HG13 ILE A 88 4.158 3.628 -16.673 1.00 0.00 H new ATOM 0 HG21 ILE A 88 3.799 4.482 -13.068 1.00 0.00 H new ATOM 0 HG22 ILE A 88 2.024 4.354 -13.028 1.00 0.00 H new ATOM 0 HG23 ILE A 88 3.018 2.890 -13.217 1.00 0.00 H new ATOM 0 HD11 ILE A 88 6.297 3.846 -15.424 1.00 0.00 H new ATOM 0 HD12 ILE A 88 5.319 5.322 -15.246 1.00 0.00 H new ATOM 0 HD13 ILE A 88 5.393 4.138 -13.919 1.00 0.00 H new ATOM 1299 N SER A 89 2.134 1.023 -15.836 1.00 0.00 N ATOM 1300 CA SER A 89 2.205 -0.401 -15.411 1.00 0.00 C ATOM 1301 C SER A 89 3.609 -0.963 -15.604 1.00 0.00 C ATOM 1302 O SER A 89 4.342 -0.532 -16.472 1.00 0.00 O ATOM 1303 CB SER A 89 1.226 -1.219 -16.275 1.00 0.00 C ATOM 1304 OG SER A 89 1.817 -1.222 -17.564 1.00 0.00 O ATOM 0 H SER A 89 2.437 1.208 -16.792 1.00 0.00 H new ATOM 0 HA SER A 89 1.947 -0.464 -14.354 1.00 0.00 H new ATOM 0 HB2 SER A 89 1.106 -2.232 -15.890 1.00 0.00 H new ATOM 0 HB3 SER A 89 0.235 -0.765 -16.292 1.00 0.00 H new ATOM 0 HG SER A 89 1.251 -1.730 -18.182 1.00 0.00 H new ATOM 1310 N ILE A 90 3.957 -1.919 -14.780 1.00 0.00 N ATOM 1311 CA ILE A 90 5.307 -2.530 -14.890 1.00 0.00 C ATOM 1312 C ILE A 90 5.244 -4.023 -14.586 1.00 0.00 C ATOM 1313 O ILE A 90 4.285 -4.501 -14.005 1.00 0.00 O ATOM 1314 CB ILE A 90 6.243 -1.866 -13.870 1.00 0.00 C ATOM 1315 CG1 ILE A 90 5.743 -0.471 -13.511 1.00 0.00 C ATOM 1316 CG2 ILE A 90 7.640 -1.737 -14.506 1.00 0.00 C ATOM 1317 CD1 ILE A 90 6.746 0.191 -12.564 1.00 0.00 C ATOM 0 H ILE A 90 3.365 -2.298 -14.041 1.00 0.00 H new ATOM 0 HA ILE A 90 5.675 -2.383 -15.905 1.00 0.00 H new ATOM 0 HB ILE A 90 6.276 -2.474 -12.966 1.00 0.00 H new ATOM 0 HG12 ILE A 90 5.624 0.130 -14.413 1.00 0.00 H new ATOM 0 HG13 ILE A 90 4.763 -0.533 -13.038 1.00 0.00 H new ATOM 0 HG21 ILE A 90 8.321 -1.267 -13.796 1.00 0.00 H new ATOM 0 HG22 ILE A 90 8.014 -2.727 -14.766 1.00 0.00 H new ATOM 0 HG23 ILE A 90 7.575 -1.126 -15.406 1.00 0.00 H new ATOM 0 HD11 ILE A 90 6.395 1.189 -12.303 1.00 0.00 H new ATOM 0 HD12 ILE A 90 6.842 -0.408 -11.659 1.00 0.00 H new ATOM 0 HD13 ILE A 90 7.716 0.264 -13.055 1.00 0.00 H new ATOM 1329 N ASN A 91 6.274 -4.733 -14.978 1.00 0.00 N ATOM 1330 CA ASN A 91 6.301 -6.200 -14.724 1.00 0.00 C ATOM 1331 C ASN A 91 7.217 -6.539 -13.551 1.00 0.00 C ATOM 1332 O ASN A 91 8.210 -5.876 -13.324 1.00 0.00 O ATOM 1333 CB ASN A 91 6.842 -6.894 -15.982 1.00 0.00 C ATOM 1334 CG ASN A 91 6.379 -8.353 -15.990 1.00 0.00 C ATOM 1335 OD1 ASN A 91 5.288 -8.672 -15.558 1.00 0.00 O ATOM 1336 ND2 ASN A 91 7.178 -9.271 -16.466 1.00 0.00 N ATOM 0 H ASN A 91 7.091 -4.359 -15.460 1.00 0.00 H new ATOM 0 HA ASN A 91 5.292 -6.536 -14.485 1.00 0.00 H new ATOM 0 HB2 ASN A 91 6.486 -6.382 -16.876 1.00 0.00 H new ATOM 0 HB3 ASN A 91 7.931 -6.845 -15.999 1.00 0.00 H new ATOM 0 HD21 ASN A 91 6.885 -10.248 -16.474 1.00 0.00 H new ATOM 0 HD22 ASN A 91 8.095 -9.011 -16.830 1.00 0.00 H new ATOM 1343 N TYR A 92 6.866 -7.570 -12.827 1.00 0.00 N ATOM 1344 CA TYR A 92 7.704 -7.968 -11.666 1.00 0.00 C ATOM 1345 C TYR A 92 7.540 -9.448 -11.364 1.00 0.00 C ATOM 1346 O TYR A 92 6.440 -9.962 -11.343 1.00 0.00 O ATOM 1347 CB TYR A 92 7.252 -7.172 -10.434 1.00 0.00 C ATOM 1348 CG TYR A 92 8.309 -7.301 -9.325 1.00 0.00 C ATOM 1349 CD1 TYR A 92 8.427 -8.468 -8.587 1.00 0.00 C ATOM 1350 CD2 TYR A 92 9.154 -6.249 -9.041 1.00 0.00 C ATOM 1351 CE1 TYR A 92 9.375 -8.571 -7.588 1.00 0.00 C ATOM 1352 CE2 TYR A 92 10.099 -6.355 -8.044 1.00 0.00 C ATOM 1353 CZ TYR A 92 10.217 -7.516 -7.309 1.00 0.00 C ATOM 1354 OH TYR A 92 11.156 -7.616 -6.306 1.00 0.00 O ATOM 0 H TYR A 92 6.041 -8.147 -12.990 1.00 0.00 H new ATOM 0 HA TYR A 92 8.748 -7.765 -11.904 1.00 0.00 H new ATOM 0 HB2 TYR A 92 7.111 -6.124 -10.697 1.00 0.00 H new ATOM 0 HB3 TYR A 92 6.291 -7.544 -10.080 1.00 0.00 H new ATOM 0 HD1 TYR A 92 7.773 -9.302 -8.794 1.00 0.00 H new ATOM 0 HD2 TYR A 92 9.074 -5.332 -9.606 1.00 0.00 H new ATOM 0 HE1 TYR A 92 9.457 -9.486 -7.020 1.00 0.00 H new ATOM 0 HE2 TYR A 92 10.753 -5.521 -7.836 1.00 0.00 H new ATOM 0 HH TYR A 92 11.663 -6.780 -6.248 1.00 0.00 H new ATOM 1364 N ARG A 93 8.636 -10.105 -11.124 1.00 0.00 N ATOM 1365 CA ARG A 93 8.562 -11.551 -10.821 1.00 0.00 C ATOM 1366 C ARG A 93 8.418 -11.773 -9.328 1.00 0.00 C ATOM 1367 O ARG A 93 9.359 -11.590 -8.581 1.00 0.00 O ATOM 1368 CB ARG A 93 9.856 -12.221 -11.311 1.00 0.00 C ATOM 1369 CG ARG A 93 11.064 -11.585 -10.612 1.00 0.00 C ATOM 1370 CD ARG A 93 12.218 -11.479 -11.614 1.00 0.00 C ATOM 1371 NE ARG A 93 13.500 -11.357 -10.868 1.00 0.00 N ATOM 1372 CZ ARG A 93 14.198 -12.432 -10.616 1.00 0.00 C ATOM 1373 NH1 ARG A 93 14.842 -13.007 -11.593 1.00 0.00 N ATOM 1374 NH2 ARG A 93 14.225 -12.892 -9.396 1.00 0.00 N ATOM 0 H ARG A 93 9.574 -9.704 -11.125 1.00 0.00 H new ATOM 0 HA ARG A 93 7.695 -11.981 -11.323 1.00 0.00 H new ATOM 0 HB2 ARG A 93 9.825 -13.290 -11.103 1.00 0.00 H new ATOM 0 HB3 ARG A 93 9.948 -12.109 -12.391 1.00 0.00 H new ATOM 0 HG2 ARG A 93 10.803 -10.597 -10.232 1.00 0.00 H new ATOM 0 HG3 ARG A 93 11.364 -12.187 -9.754 1.00 0.00 H new ATOM 0 HD2 ARG A 93 12.239 -12.359 -12.257 1.00 0.00 H new ATOM 0 HD3 ARG A 93 12.076 -10.614 -12.261 1.00 0.00 H new ATOM 0 HE ARG A 93 13.830 -10.443 -10.557 1.00 0.00 H new ATOM 0 HH11 ARG A 93 14.795 -12.617 -12.534 1.00 0.00 H new ATOM 0 HH12 ARG A 93 15.393 -13.847 -11.416 1.00 0.00 H new ATOM 0 HH21 ARG A 93 13.707 -12.414 -8.659 1.00 0.00 H new ATOM 0 HH22 ARG A 93 14.764 -13.730 -9.179 1.00 0.00 H new ATOM 1388 N THR A 94 7.231 -12.164 -8.918 1.00 0.00 N ATOM 1389 CA THR A 94 6.994 -12.406 -7.464 1.00 0.00 C ATOM 1390 C THR A 94 6.544 -13.846 -7.223 1.00 0.00 C ATOM 1391 O THR A 94 5.751 -14.309 -8.031 1.00 0.00 O ATOM 1392 CB THR A 94 5.892 -11.449 -6.978 1.00 0.00 C ATOM 1393 OG1 THR A 94 5.502 -10.716 -8.121 1.00 0.00 O ATOM 1394 CG2 THR A 94 6.468 -10.388 -6.009 1.00 0.00 C ATOM 1395 OXT THR A 94 7.019 -14.404 -6.247 1.00 0.00 O ATOM 0 H THR A 94 6.426 -12.323 -9.524 1.00 0.00 H new ATOM 0 HA THR A 94 7.922 -12.234 -6.919 1.00 0.00 H new ATOM 0 HB THR A 94 5.099 -12.017 -6.491 1.00 0.00 H new ATOM 0 HG1 THR A 94 4.794 -10.083 -7.878 1.00 0.00 H new ATOM 0 HG21 THR A 94 5.669 -9.724 -5.680 1.00 0.00 H new ATOM 0 HG22 THR A 94 6.906 -10.885 -5.144 1.00 0.00 H new ATOM 0 HG23 THR A 94 7.235 -9.807 -6.520 1.00 0.00 H new TER 1403 THR A 94