USER MOD reduce.3.24.130724 H: found=0, std=0, add=700, rem=0, adj=30 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 17 SER OG : rot -39:sc= 1.85 USER MOD Set 1.2: A 60 SER OG : rot -129:sc= 1.98 USER MOD Set 2.1: A 39 THR OG1 : rot 180:sc= 0.0151 USER MOD Set 2.2: A 69 THR OG1 : rot 110:sc=-0.00042 USER MOD Set 3.1: A 35 THR OG1 : rot 180:sc= 0.218 USER MOD Set 3.2: A 71 THR OG1 : rot 104:sc= -0.0911 USER MOD Single : A 1 VAL N :NH3+ -114:sc= 0.107 (180deg=-0.0335) USER MOD Single : A 2 SER OG : rot 33:sc= -0.332! USER MOD Single : A 14 THR OG1 : rot 41:sc= 0.888 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 59:sc= -0.0994 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 177:sc= -0.322 USER MOD Single : A 36 TYR OH : rot 180:sc= -0.026 USER MOD Single : A 42 ASN : amide:sc= -0.0219 X(o=-0.022,f=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= -0.385 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 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.593 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 -145:sc= 0.858 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 24:sc= 0.721 USER MOD Single : A 91 ASN : amide:sc= -3.08! C(o=-3.1!,f=-4.1!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= -0.482 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 7.944 13.673 -8.879 1.00 0.00 N ATOM 2 CA VAL A 1 8.717 12.687 -8.089 1.00 0.00 C ATOM 3 C VAL A 1 8.608 13.007 -6.601 1.00 0.00 C ATOM 4 O VAL A 1 8.432 14.148 -6.222 1.00 0.00 O ATOM 5 CB VAL A 1 10.198 12.737 -8.502 1.00 0.00 C ATOM 6 CG1 VAL A 1 11.048 12.038 -7.438 1.00 0.00 C ATOM 7 CG2 VAL A 1 10.370 12.011 -9.839 1.00 0.00 C ATOM 0 H1 VAL A 1 7.144 13.196 -9.341 1.00 0.00 H new ATOM 0 H2 VAL A 1 7.586 14.419 -8.249 1.00 0.00 H new ATOM 0 H3 VAL A 1 8.559 14.097 -9.602 1.00 0.00 H new ATOM 0 HA VAL A 1 8.312 11.693 -8.279 1.00 0.00 H new ATOM 0 HB VAL A 1 10.516 13.775 -8.599 1.00 0.00 H new ATOM 0 HG11 VAL A 1 12.098 12.073 -7.730 1.00 0.00 H new ATOM 0 HG12 VAL A 1 10.921 12.543 -6.481 1.00 0.00 H new ATOM 0 HG13 VAL A 1 10.732 10.999 -7.345 1.00 0.00 H new ATOM 0 HG21 VAL A 1 11.418 12.043 -10.138 1.00 0.00 H new ATOM 0 HG22 VAL A 1 10.054 10.973 -9.733 1.00 0.00 H new ATOM 0 HG23 VAL A 1 9.761 12.500 -10.599 1.00 0.00 H new ATOM 19 N SER A 2 8.709 11.987 -5.788 1.00 0.00 N ATOM 20 CA SER A 2 8.616 12.199 -4.319 1.00 0.00 C ATOM 21 C SER A 2 7.494 13.167 -3.972 1.00 0.00 C ATOM 22 O SER A 2 7.744 14.320 -3.678 1.00 0.00 O ATOM 23 CB SER A 2 9.947 12.794 -3.820 1.00 0.00 C ATOM 24 OG SER A 2 10.191 13.889 -4.687 1.00 0.00 O ATOM 0 H SER A 2 8.851 11.020 -6.080 1.00 0.00 H new ATOM 0 HA SER A 2 8.410 11.240 -3.844 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.873 13.118 -2.782 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.753 12.061 -3.869 1.00 0.00 H new ATOM 0 HG SER A 2 9.338 14.292 -4.953 1.00 0.00 H new ATOM 30 N ASP A 3 6.270 12.676 -4.011 1.00 0.00 N ATOM 31 CA ASP A 3 5.113 13.550 -3.686 1.00 0.00 C ATOM 32 C ASP A 3 4.427 13.079 -2.408 1.00 0.00 C ATOM 33 O ASP A 3 4.503 13.742 -1.392 1.00 0.00 O ATOM 34 CB ASP A 3 4.111 13.500 -4.857 1.00 0.00 C ATOM 35 CG ASP A 3 3.398 14.846 -4.950 1.00 0.00 C ATOM 36 OD1 ASP A 3 2.977 15.305 -3.902 1.00 0.00 O ATOM 37 OD2 ASP A 3 3.321 15.341 -6.060 1.00 0.00 O ATOM 0 H ASP A 3 6.035 11.714 -4.253 1.00 0.00 H new ATOM 0 HA ASP A 3 5.465 14.570 -3.532 1.00 0.00 H new ATOM 0 HB2 ASP A 3 4.631 13.283 -5.790 1.00 0.00 H new ATOM 0 HB3 ASP A 3 3.388 12.699 -4.701 1.00 0.00 H new ATOM 42 N VAL A 4 3.764 11.940 -2.483 1.00 0.00 N ATOM 43 CA VAL A 4 3.068 11.411 -1.275 1.00 0.00 C ATOM 44 C VAL A 4 3.493 9.963 -0.950 1.00 0.00 C ATOM 45 O VAL A 4 3.682 9.630 0.204 1.00 0.00 O ATOM 46 CB VAL A 4 1.525 11.499 -1.509 1.00 0.00 C ATOM 47 CG1 VAL A 4 0.823 10.169 -1.151 1.00 0.00 C ATOM 48 CG2 VAL A 4 0.961 12.596 -0.605 1.00 0.00 C ATOM 0 H VAL A 4 3.680 11.366 -3.322 1.00 0.00 H new ATOM 0 HA VAL A 4 3.350 12.017 -0.414 1.00 0.00 H new ATOM 0 HB VAL A 4 1.347 11.715 -2.562 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -0.249 10.265 -1.325 1.00 0.00 H new ATOM 0 HG12 VAL A 4 1.222 9.368 -1.774 1.00 0.00 H new ATOM 0 HG13 VAL A 4 1.000 9.935 -0.101 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -0.116 12.673 -0.754 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.166 12.350 0.437 1.00 0.00 H new ATOM 0 HG23 VAL A 4 1.430 13.548 -0.852 1.00 0.00 H new ATOM 58 N PRO A 5 3.636 9.114 -1.967 1.00 0.00 N ATOM 59 CA PRO A 5 4.033 7.735 -1.738 1.00 0.00 C ATOM 60 C PRO A 5 5.595 7.639 -1.641 1.00 0.00 C ATOM 61 O PRO A 5 6.189 8.371 -0.874 1.00 0.00 O ATOM 62 CB PRO A 5 3.454 6.987 -2.971 1.00 0.00 C ATOM 63 CG PRO A 5 3.102 8.072 -4.034 1.00 0.00 C ATOM 64 CD PRO A 5 3.374 9.442 -3.376 1.00 0.00 C ATOM 0 HA PRO A 5 3.665 7.308 -0.805 1.00 0.00 H new ATOM 0 HB2 PRO A 5 4.180 6.278 -3.369 1.00 0.00 H new ATOM 0 HB3 PRO A 5 2.568 6.415 -2.695 1.00 0.00 H new ATOM 0 HG2 PRO A 5 3.708 7.946 -4.931 1.00 0.00 H new ATOM 0 HG3 PRO A 5 2.059 7.990 -4.340 1.00 0.00 H new ATOM 0 HD2 PRO A 5 4.227 9.943 -3.834 1.00 0.00 H new ATOM 0 HD3 PRO A 5 2.519 10.111 -3.478 1.00 0.00 H new ATOM 72 N ARG A 6 6.240 6.758 -2.403 1.00 0.00 N ATOM 73 CA ARG A 6 7.736 6.682 -2.295 1.00 0.00 C ATOM 74 C ARG A 6 8.364 5.786 -3.365 1.00 0.00 C ATOM 75 O ARG A 6 7.684 5.180 -4.155 1.00 0.00 O ATOM 76 CB ARG A 6 8.088 6.109 -0.917 1.00 0.00 C ATOM 77 CG ARG A 6 7.340 4.783 -0.712 1.00 0.00 C ATOM 78 CD ARG A 6 7.989 4.018 0.445 1.00 0.00 C ATOM 79 NE ARG A 6 9.419 3.751 0.111 1.00 0.00 N ATOM 80 CZ ARG A 6 10.363 4.257 0.861 1.00 0.00 C ATOM 81 NH1 ARG A 6 10.541 3.777 2.063 1.00 0.00 N ATOM 82 NH2 ARG A 6 11.102 5.226 0.383 1.00 0.00 N ATOM 0 H ARG A 6 5.807 6.116 -3.067 1.00 0.00 H new ATOM 0 HA ARG A 6 8.131 7.688 -2.436 1.00 0.00 H new ATOM 0 HB2 ARG A 6 9.163 5.949 -0.841 1.00 0.00 H new ATOM 0 HB3 ARG A 6 7.816 6.818 -0.135 1.00 0.00 H new ATOM 0 HG2 ARG A 6 6.289 4.973 -0.495 1.00 0.00 H new ATOM 0 HG3 ARG A 6 7.374 4.187 -1.624 1.00 0.00 H new ATOM 0 HD2 ARG A 6 7.920 4.598 1.365 1.00 0.00 H new ATOM 0 HD3 ARG A 6 7.462 3.080 0.619 1.00 0.00 H new ATOM 0 HE ARG A 6 9.658 3.177 -0.698 1.00 0.00 H new ATOM 0 HH11 ARG A 6 9.948 3.020 2.403 1.00 0.00 H new ATOM 0 HH12 ARG A 6 11.273 4.160 2.662 1.00 0.00 H new ATOM 0 HH21 ARG A 6 10.937 5.575 -0.561 1.00 0.00 H new ATOM 0 HH22 ARG A 6 11.843 5.632 0.955 1.00 0.00 H new ATOM 96 N ASP A 7 9.676 5.724 -3.351 1.00 0.00 N ATOM 97 CA ASP A 7 10.390 4.881 -4.348 1.00 0.00 C ATOM 98 C ASP A 7 9.767 3.494 -4.438 1.00 0.00 C ATOM 99 O ASP A 7 10.064 2.622 -3.645 1.00 0.00 O ATOM 100 CB ASP A 7 11.854 4.736 -3.902 1.00 0.00 C ATOM 101 CG ASP A 7 12.733 5.680 -4.728 1.00 0.00 C ATOM 102 OD1 ASP A 7 12.709 6.858 -4.413 1.00 0.00 O ATOM 103 OD2 ASP A 7 13.379 5.167 -5.628 1.00 0.00 O ATOM 0 H ASP A 7 10.276 6.221 -2.693 1.00 0.00 H new ATOM 0 HA ASP A 7 10.321 5.357 -5.326 1.00 0.00 H new ATOM 0 HB2 ASP A 7 11.947 4.969 -2.841 1.00 0.00 H new ATOM 0 HB3 ASP A 7 12.185 3.706 -4.032 1.00 0.00 H new ATOM 108 N LEU A 8 8.912 3.322 -5.406 1.00 0.00 N ATOM 109 CA LEU A 8 8.245 2.001 -5.584 1.00 0.00 C ATOM 110 C LEU A 8 9.225 0.849 -5.369 1.00 0.00 C ATOM 111 O LEU A 8 10.296 0.827 -5.941 1.00 0.00 O ATOM 112 CB LEU A 8 7.693 1.926 -7.030 1.00 0.00 C ATOM 113 CG LEU A 8 6.793 0.676 -7.191 1.00 0.00 C ATOM 114 CD1 LEU A 8 5.528 1.040 -8.000 1.00 0.00 C ATOM 115 CD2 LEU A 8 7.567 -0.396 -7.946 1.00 0.00 C ATOM 0 H LEU A 8 8.646 4.038 -6.082 1.00 0.00 H new ATOM 0 HA LEU A 8 7.445 1.910 -4.849 1.00 0.00 H new ATOM 0 HB2 LEU A 8 7.122 2.826 -7.257 1.00 0.00 H new ATOM 0 HB3 LEU A 8 8.518 1.884 -7.741 1.00 0.00 H new ATOM 0 HG LEU A 8 6.502 0.312 -6.206 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.899 0.156 -8.110 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.972 1.818 -7.476 1.00 0.00 H new ATOM 0 HD13 LEU A 8 5.819 1.403 -8.986 1.00 0.00 H new ATOM 0 HD21 LEU A 8 6.942 -1.281 -8.065 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.850 -0.017 -8.928 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.465 -0.659 -7.386 1.00 0.00 H new ATOM 127 N GLU A 9 8.832 -0.092 -4.540 1.00 0.00 N ATOM 128 CA GLU A 9 9.725 -1.254 -4.272 1.00 0.00 C ATOM 129 C GLU A 9 9.042 -2.282 -3.363 1.00 0.00 C ATOM 130 O GLU A 9 7.938 -2.073 -2.898 1.00 0.00 O ATOM 131 CB GLU A 9 10.987 -0.738 -3.558 1.00 0.00 C ATOM 132 CG GLU A 9 12.222 -1.160 -4.354 1.00 0.00 C ATOM 133 CD GLU A 9 12.311 -2.688 -4.372 1.00 0.00 C ATOM 134 OE1 GLU A 9 12.804 -3.213 -3.388 1.00 0.00 O ATOM 135 OE2 GLU A 9 11.878 -3.242 -5.370 1.00 0.00 O ATOM 0 H GLU A 9 7.940 -0.102 -4.045 1.00 0.00 H new ATOM 0 HA GLU A 9 9.968 -1.734 -5.220 1.00 0.00 H new ATOM 0 HB2 GLU A 9 10.951 0.348 -3.469 1.00 0.00 H new ATOM 0 HB3 GLU A 9 11.037 -1.140 -2.546 1.00 0.00 H new ATOM 0 HG2 GLU A 9 12.162 -0.775 -5.372 1.00 0.00 H new ATOM 0 HG3 GLU A 9 13.121 -0.737 -3.905 1.00 0.00 H new ATOM 142 N VAL A 10 9.722 -3.381 -3.134 1.00 0.00 N ATOM 143 CA VAL A 10 9.146 -4.442 -2.263 1.00 0.00 C ATOM 144 C VAL A 10 9.678 -4.308 -0.839 1.00 0.00 C ATOM 145 O VAL A 10 10.863 -4.447 -0.606 1.00 0.00 O ATOM 146 CB VAL A 10 9.578 -5.811 -2.815 1.00 0.00 C ATOM 147 CG1 VAL A 10 8.612 -6.883 -2.311 1.00 0.00 C ATOM 148 CG2 VAL A 10 9.538 -5.774 -4.342 1.00 0.00 C ATOM 0 H VAL A 10 10.647 -3.584 -3.513 1.00 0.00 H new ATOM 0 HA VAL A 10 8.060 -4.346 -2.251 1.00 0.00 H new ATOM 0 HB VAL A 10 10.590 -6.040 -2.480 1.00 0.00 H new ATOM 0 HG11 VAL A 10 8.913 -7.856 -2.699 1.00 0.00 H new ATOM 0 HG12 VAL A 10 8.630 -6.906 -1.221 1.00 0.00 H new ATOM 0 HG13 VAL A 10 7.603 -6.653 -2.652 1.00 0.00 H new ATOM 0 HG21 VAL A 10 9.844 -6.743 -4.738 1.00 0.00 H new ATOM 0 HG22 VAL A 10 8.524 -5.550 -4.674 1.00 0.00 H new ATOM 0 HG23 VAL A 10 10.218 -5.003 -4.705 1.00 0.00 H new ATOM 158 N VAL A 11 8.800 -4.043 0.093 1.00 0.00 N ATOM 159 CA VAL A 11 9.259 -3.901 1.501 1.00 0.00 C ATOM 160 C VAL A 11 9.175 -5.230 2.235 1.00 0.00 C ATOM 161 O VAL A 11 9.584 -5.340 3.375 1.00 0.00 O ATOM 162 CB VAL A 11 8.354 -2.886 2.217 1.00 0.00 C ATOM 163 CG1 VAL A 11 9.173 -2.145 3.277 1.00 0.00 C ATOM 164 CG2 VAL A 11 7.822 -1.879 1.200 1.00 0.00 C ATOM 0 H VAL A 11 7.799 -3.921 -0.059 1.00 0.00 H new ATOM 0 HA VAL A 11 10.296 -3.565 1.499 1.00 0.00 H new ATOM 0 HB VAL A 11 7.520 -3.405 2.690 1.00 0.00 H new ATOM 0 HG11 VAL A 11 8.537 -1.423 3.789 1.00 0.00 H new ATOM 0 HG12 VAL A 11 9.565 -2.861 4.000 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.001 -1.623 2.798 1.00 0.00 H new ATOM 0 HG21 VAL A 11 7.179 -1.157 1.704 1.00 0.00 H new ATOM 0 HG22 VAL A 11 8.657 -1.357 0.733 1.00 0.00 H new ATOM 0 HG23 VAL A 11 7.249 -2.403 0.435 1.00 0.00 H new ATOM 174 N ALA A 12 8.648 -6.216 1.572 1.00 0.00 N ATOM 175 CA ALA A 12 8.531 -7.542 2.217 1.00 0.00 C ATOM 176 C ALA A 12 7.652 -8.462 1.390 1.00 0.00 C ATOM 177 O ALA A 12 6.738 -8.018 0.722 1.00 0.00 O ATOM 178 CB ALA A 12 7.888 -7.351 3.598 1.00 0.00 C ATOM 0 H ALA A 12 8.296 -6.159 0.616 1.00 0.00 H new ATOM 0 HA ALA A 12 9.521 -7.989 2.305 1.00 0.00 H new ATOM 0 HB1 ALA A 12 7.792 -8.318 4.092 1.00 0.00 H new ATOM 0 HB2 ALA A 12 8.514 -6.695 4.203 1.00 0.00 H new ATOM 0 HB3 ALA A 12 6.901 -6.904 3.481 1.00 0.00 H new ATOM 184 N ALA A 13 7.939 -9.733 1.447 1.00 0.00 N ATOM 185 CA ALA A 13 7.128 -10.692 0.665 1.00 0.00 C ATOM 186 C ALA A 13 7.162 -12.079 1.288 1.00 0.00 C ATOM 187 O ALA A 13 8.199 -12.548 1.714 1.00 0.00 O ATOM 188 CB ALA A 13 7.710 -10.778 -0.750 1.00 0.00 C ATOM 0 H ALA A 13 8.694 -10.141 1.998 1.00 0.00 H new ATOM 0 HA ALA A 13 6.095 -10.344 0.649 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.124 -11.481 -1.342 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.677 -9.794 -1.218 1.00 0.00 H new ATOM 0 HB3 ALA A 13 8.744 -11.120 -0.698 1.00 0.00 H new ATOM 194 N THR A 14 6.024 -12.709 1.330 1.00 0.00 N ATOM 195 CA THR A 14 5.962 -14.063 1.916 1.00 0.00 C ATOM 196 C THR A 14 4.861 -14.889 1.215 1.00 0.00 C ATOM 197 O THR A 14 3.930 -14.327 0.672 1.00 0.00 O ATOM 198 CB THR A 14 5.617 -13.920 3.406 1.00 0.00 C ATOM 199 OG1 THR A 14 4.791 -12.775 3.490 1.00 0.00 O ATOM 200 CG2 THR A 14 6.867 -13.553 4.224 1.00 0.00 C ATOM 0 H THR A 14 5.138 -12.341 0.983 1.00 0.00 H new ATOM 0 HA THR A 14 6.918 -14.571 1.789 1.00 0.00 H new ATOM 0 HB THR A 14 5.177 -14.847 3.774 1.00 0.00 H new ATOM 0 HG1 THR A 14 4.165 -12.767 2.736 1.00 0.00 H new ATOM 0 HG21 THR A 14 6.598 -13.457 5.276 1.00 0.00 H new ATOM 0 HG22 THR A 14 7.618 -14.335 4.111 1.00 0.00 H new ATOM 0 HG23 THR A 14 7.272 -12.607 3.865 1.00 0.00 H new ATOM 208 N PRO A 15 4.982 -16.217 1.233 1.00 0.00 N ATOM 209 CA PRO A 15 3.983 -17.077 0.592 1.00 0.00 C ATOM 210 C PRO A 15 2.586 -16.882 1.187 1.00 0.00 C ATOM 211 O PRO A 15 1.664 -17.591 0.832 1.00 0.00 O ATOM 212 CB PRO A 15 4.454 -18.519 0.883 1.00 0.00 C ATOM 213 CG PRO A 15 5.734 -18.423 1.764 1.00 0.00 C ATOM 214 CD PRO A 15 6.101 -16.936 1.875 1.00 0.00 C ATOM 0 HA PRO A 15 3.906 -16.847 -0.471 1.00 0.00 H new ATOM 0 HB2 PRO A 15 3.675 -19.080 1.398 1.00 0.00 H new ATOM 0 HB3 PRO A 15 4.666 -19.048 -0.046 1.00 0.00 H new ATOM 0 HG2 PRO A 15 5.554 -18.849 2.751 1.00 0.00 H new ATOM 0 HG3 PRO A 15 6.552 -18.988 1.317 1.00 0.00 H new ATOM 0 HD2 PRO A 15 6.218 -16.635 2.916 1.00 0.00 H new ATOM 0 HD3 PRO A 15 7.046 -16.724 1.374 1.00 0.00 H new ATOM 222 N THR A 16 2.450 -15.929 2.078 1.00 0.00 N ATOM 223 CA THR A 16 1.112 -15.696 2.691 1.00 0.00 C ATOM 224 C THR A 16 0.862 -14.213 2.961 1.00 0.00 C ATOM 225 O THR A 16 -0.044 -13.864 3.689 1.00 0.00 O ATOM 226 CB THR A 16 1.064 -16.446 4.026 1.00 0.00 C ATOM 227 OG1 THR A 16 2.012 -15.800 4.850 1.00 0.00 O ATOM 228 CG2 THR A 16 1.600 -17.880 3.875 1.00 0.00 C ATOM 0 H THR A 16 3.197 -15.313 2.401 1.00 0.00 H new ATOM 0 HA THR A 16 0.348 -16.049 1.999 1.00 0.00 H new ATOM 0 HB THR A 16 0.041 -16.460 4.402 1.00 0.00 H new ATOM 0 HG1 THR A 16 2.031 -16.233 5.729 1.00 0.00 H new ATOM 0 HG21 THR A 16 1.554 -18.389 4.838 1.00 0.00 H new ATOM 0 HG22 THR A 16 0.993 -18.421 3.149 1.00 0.00 H new ATOM 0 HG23 THR A 16 2.634 -17.848 3.531 1.00 0.00 H new ATOM 236 N SER A 17 1.662 -13.367 2.375 1.00 0.00 N ATOM 237 CA SER A 17 1.464 -11.912 2.603 1.00 0.00 C ATOM 238 C SER A 17 2.465 -11.091 1.808 1.00 0.00 C ATOM 239 O SER A 17 3.622 -11.450 1.710 1.00 0.00 O ATOM 240 CB SER A 17 1.668 -11.623 4.095 1.00 0.00 C ATOM 241 OG SER A 17 0.382 -11.228 4.551 1.00 0.00 O ATOM 0 H SER A 17 2.434 -13.617 1.757 1.00 0.00 H new ATOM 0 HA SER A 17 0.459 -11.640 2.281 1.00 0.00 H new ATOM 0 HB2 SER A 17 2.026 -12.505 4.626 1.00 0.00 H new ATOM 0 HB3 SER A 17 2.405 -10.836 4.251 1.00 0.00 H new ATOM 0 HG SER A 17 -0.052 -10.675 3.868 1.00 0.00 H new ATOM 247 N LEU A 18 1.994 -9.999 1.251 1.00 0.00 N ATOM 248 CA LEU A 18 2.896 -9.126 0.450 1.00 0.00 C ATOM 249 C LEU A 18 2.774 -7.660 0.865 1.00 0.00 C ATOM 250 O LEU A 18 1.707 -7.080 0.803 1.00 0.00 O ATOM 251 CB LEU A 18 2.494 -9.243 -1.027 1.00 0.00 C ATOM 252 CG LEU A 18 3.721 -9.630 -1.861 1.00 0.00 C ATOM 253 CD1 LEU A 18 3.314 -9.734 -3.329 1.00 0.00 C ATOM 254 CD2 LEU A 18 4.803 -8.554 -1.715 1.00 0.00 C ATOM 0 H LEU A 18 1.028 -9.680 1.319 1.00 0.00 H new ATOM 0 HA LEU A 18 3.924 -9.448 0.616 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.711 -9.992 -1.144 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.085 -8.296 -1.380 1.00 0.00 H new ATOM 0 HG LEU A 18 4.111 -10.587 -1.513 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.182 -10.009 -3.929 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.541 -10.495 -3.439 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.928 -8.773 -3.669 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.674 -8.831 -2.309 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.415 -7.598 -2.065 1.00 0.00 H new ATOM 0 HD23 LEU A 18 5.091 -8.467 -0.667 1.00 0.00 H new ATOM 266 N LEU A 19 3.879 -7.093 1.281 1.00 0.00 N ATOM 267 CA LEU A 19 3.878 -5.665 1.706 1.00 0.00 C ATOM 268 C LEU A 19 4.587 -4.844 0.640 1.00 0.00 C ATOM 269 O LEU A 19 5.801 -4.879 0.542 1.00 0.00 O ATOM 270 CB LEU A 19 4.659 -5.546 3.038 1.00 0.00 C ATOM 271 CG LEU A 19 3.810 -4.792 4.073 1.00 0.00 C ATOM 272 CD1 LEU A 19 4.479 -4.901 5.444 1.00 0.00 C ATOM 273 CD2 LEU A 19 3.721 -3.314 3.678 1.00 0.00 C ATOM 0 H LEU A 19 4.783 -7.561 1.344 1.00 0.00 H new ATOM 0 HA LEU A 19 2.857 -5.306 1.838 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.910 -6.538 3.413 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.600 -5.020 2.873 1.00 0.00 H new ATOM 0 HG LEU A 19 2.810 -5.224 4.111 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.882 -4.368 6.184 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.557 -5.950 5.728 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.476 -4.462 5.398 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.119 -2.777 4.411 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.722 -2.885 3.647 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.258 -3.227 2.695 1.00 0.00 H new ATOM 285 N ILE A 20 3.819 -4.115 -0.143 1.00 0.00 N ATOM 286 CA ILE A 20 4.453 -3.294 -1.213 1.00 0.00 C ATOM 287 C ILE A 20 4.406 -1.803 -0.941 1.00 0.00 C ATOM 288 O ILE A 20 3.701 -1.326 -0.072 1.00 0.00 O ATOM 289 CB ILE A 20 3.717 -3.582 -2.551 1.00 0.00 C ATOM 290 CG1 ILE A 20 2.486 -2.661 -2.749 1.00 0.00 C ATOM 291 CG2 ILE A 20 3.221 -5.036 -2.521 1.00 0.00 C ATOM 292 CD1 ILE A 20 1.831 -2.995 -4.083 1.00 0.00 C ATOM 0 H ILE A 20 2.802 -4.057 -0.085 1.00 0.00 H new ATOM 0 HA ILE A 20 5.506 -3.574 -1.254 1.00 0.00 H new ATOM 0 HB ILE A 20 4.415 -3.401 -3.368 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.775 -2.801 -1.934 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.791 -1.615 -2.730 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.700 -5.262 -3.451 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.072 -5.708 -2.409 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.539 -5.171 -1.681 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.963 -2.353 -4.233 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.546 -2.834 -4.890 1.00 0.00 H new ATOM 0 HD13 ILE A 20 1.515 -4.038 -4.082 1.00 0.00 H new ATOM 304 N SER A 21 5.176 -1.111 -1.726 1.00 0.00 N ATOM 305 CA SER A 21 5.268 0.356 -1.624 1.00 0.00 C ATOM 306 C SER A 21 5.289 0.902 -3.034 1.00 0.00 C ATOM 307 O SER A 21 5.990 0.364 -3.870 1.00 0.00 O ATOM 308 CB SER A 21 6.581 0.722 -0.916 1.00 0.00 C ATOM 309 OG SER A 21 7.417 -0.403 -1.140 1.00 0.00 O ATOM 0 H SER A 21 5.761 -1.520 -2.455 1.00 0.00 H new ATOM 0 HA SER A 21 4.430 0.768 -1.062 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.017 1.632 -1.329 1.00 0.00 H new ATOM 0 HB3 SER A 21 6.425 0.898 0.148 1.00 0.00 H new ATOM 0 HG SER A 21 7.529 -0.540 -2.104 1.00 0.00 H new ATOM 315 N TRP A 22 4.527 1.951 -3.301 1.00 0.00 N ATOM 316 CA TRP A 22 4.539 2.498 -4.704 1.00 0.00 C ATOM 317 C TRP A 22 5.010 3.928 -4.792 1.00 0.00 C ATOM 318 O TRP A 22 5.489 4.494 -3.837 1.00 0.00 O ATOM 319 CB TRP A 22 3.134 2.412 -5.300 1.00 0.00 C ATOM 320 CG TRP A 22 2.177 3.305 -4.521 1.00 0.00 C ATOM 321 CD1 TRP A 22 1.941 4.565 -4.829 1.00 0.00 C ATOM 322 CD2 TRP A 22 1.411 2.906 -3.534 1.00 0.00 C ATOM 323 NE1 TRP A 22 0.962 4.919 -3.981 1.00 0.00 N ATOM 324 CE2 TRP A 22 0.572 3.919 -3.117 1.00 0.00 C ATOM 325 CE3 TRP A 22 1.367 1.678 -2.905 1.00 0.00 C ATOM 326 CZ2 TRP A 22 -0.312 3.705 -2.081 1.00 0.00 C ATOM 327 CZ3 TRP A 22 0.482 1.464 -1.867 1.00 0.00 C ATOM 328 CH2 TRP A 22 -0.357 2.478 -1.455 1.00 0.00 C ATOM 0 H TRP A 22 3.922 2.433 -2.636 1.00 0.00 H new ATOM 0 HA TRP A 22 5.249 1.888 -5.262 1.00 0.00 H new ATOM 0 HB2 TRP A 22 3.156 2.716 -6.347 1.00 0.00 H new ATOM 0 HB3 TRP A 22 2.783 1.380 -5.275 1.00 0.00 H new ATOM 0 HD1 TRP A 22 2.421 5.169 -5.584 1.00 0.00 H new ATOM 0 HE1 TRP A 22 0.543 5.849 -3.977 1.00 0.00 H new ATOM 0 HE3 TRP A 22 2.025 0.884 -3.225 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -0.970 4.499 -1.760 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 0.447 0.502 -1.377 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -1.049 2.311 -0.643 1.00 0.00 H new ATOM 339 N ASP A 23 4.859 4.474 -5.973 1.00 0.00 N ATOM 340 CA ASP A 23 5.282 5.885 -6.218 1.00 0.00 C ATOM 341 C ASP A 23 4.239 6.642 -7.041 1.00 0.00 C ATOM 342 O ASP A 23 3.292 6.060 -7.535 1.00 0.00 O ATOM 343 CB ASP A 23 6.594 5.866 -7.015 1.00 0.00 C ATOM 344 CG ASP A 23 7.046 7.306 -7.273 1.00 0.00 C ATOM 345 OD1 ASP A 23 7.109 8.038 -6.298 1.00 0.00 O ATOM 346 OD2 ASP A 23 7.301 7.595 -8.431 1.00 0.00 O ATOM 0 H ASP A 23 4.458 3.999 -6.782 1.00 0.00 H new ATOM 0 HA ASP A 23 5.401 6.383 -5.256 1.00 0.00 H new ATOM 0 HB2 ASP A 23 7.362 5.325 -6.462 1.00 0.00 H new ATOM 0 HB3 ASP A 23 6.452 5.342 -7.960 1.00 0.00 H new ATOM 351 N ALA A 24 4.443 7.941 -7.167 1.00 0.00 N ATOM 352 CA ALA A 24 3.486 8.778 -7.949 1.00 0.00 C ATOM 353 C ALA A 24 4.177 9.370 -9.183 1.00 0.00 C ATOM 354 O ALA A 24 5.389 9.338 -9.287 1.00 0.00 O ATOM 355 CB ALA A 24 3.022 9.938 -7.051 1.00 0.00 C ATOM 0 H ALA A 24 5.230 8.448 -6.761 1.00 0.00 H new ATOM 0 HA ALA A 24 2.646 8.162 -8.271 1.00 0.00 H new ATOM 0 HB1 ALA A 24 2.320 10.566 -7.601 1.00 0.00 H new ATOM 0 HB2 ALA A 24 2.532 9.538 -6.163 1.00 0.00 H new ATOM 0 HB3 ALA A 24 3.884 10.534 -6.752 1.00 0.00 H new ATOM 361 N PRO A 25 3.388 9.906 -10.111 1.00 0.00 N ATOM 362 CA PRO A 25 3.943 10.498 -11.324 1.00 0.00 C ATOM 363 C PRO A 25 4.648 11.837 -11.006 1.00 0.00 C ATOM 364 O PRO A 25 5.776 11.843 -10.552 1.00 0.00 O ATOM 365 CB PRO A 25 2.702 10.714 -12.239 1.00 0.00 C ATOM 366 CG PRO A 25 1.454 10.636 -11.315 1.00 0.00 C ATOM 367 CD PRO A 25 1.908 9.937 -10.021 1.00 0.00 C ATOM 0 HA PRO A 25 4.699 9.870 -11.795 1.00 0.00 H new ATOM 0 HB2 PRO A 25 2.753 11.680 -12.741 1.00 0.00 H new ATOM 0 HB3 PRO A 25 2.657 9.952 -13.018 1.00 0.00 H new ATOM 0 HG2 PRO A 25 1.067 11.632 -11.102 1.00 0.00 H new ATOM 0 HG3 PRO A 25 0.650 10.078 -11.795 1.00 0.00 H new ATOM 0 HD2 PRO A 25 1.576 10.483 -9.138 1.00 0.00 H new ATOM 0 HD3 PRO A 25 1.494 8.931 -9.948 1.00 0.00 H new ATOM 375 N ALA A 26 3.968 12.931 -11.249 1.00 0.00 N ATOM 376 CA ALA A 26 4.571 14.266 -10.973 1.00 0.00 C ATOM 377 C ALA A 26 3.935 14.928 -9.752 1.00 0.00 C ATOM 378 O ALA A 26 4.449 14.851 -8.654 1.00 0.00 O ATOM 379 CB ALA A 26 4.320 15.166 -12.193 1.00 0.00 C ATOM 0 H ALA A 26 3.021 12.954 -11.627 1.00 0.00 H new ATOM 0 HA ALA A 26 5.635 14.133 -10.779 1.00 0.00 H new ATOM 0 HB1 ALA A 26 4.753 16.150 -12.014 1.00 0.00 H new ATOM 0 HB2 ALA A 26 4.782 14.721 -13.074 1.00 0.00 H new ATOM 0 HB3 ALA A 26 3.247 15.266 -12.357 1.00 0.00 H new ATOM 385 N VAL A 27 2.816 15.570 -9.982 1.00 0.00 N ATOM 386 CA VAL A 27 2.107 16.255 -8.870 1.00 0.00 C ATOM 387 C VAL A 27 1.478 15.268 -7.904 1.00 0.00 C ATOM 388 O VAL A 27 1.721 14.078 -7.966 1.00 0.00 O ATOM 389 CB VAL A 27 0.990 17.132 -9.491 1.00 0.00 C ATOM 390 CG1 VAL A 27 -0.256 16.261 -9.746 1.00 0.00 C ATOM 391 CG2 VAL A 27 0.634 18.324 -8.555 1.00 0.00 C ATOM 0 H VAL A 27 2.367 15.646 -10.895 1.00 0.00 H new ATOM 0 HA VAL A 27 2.827 16.852 -8.310 1.00 0.00 H new ATOM 0 HB VAL A 27 1.347 17.544 -10.435 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.045 16.873 -10.183 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.001 15.454 -10.432 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.604 15.839 -8.803 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.152 18.924 -9.013 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.286 17.942 -7.595 1.00 0.00 H new ATOM 0 HG23 VAL A 27 1.519 18.942 -8.400 1.00 0.00 H new ATOM 401 N THR A 28 0.681 15.796 -7.030 1.00 0.00 N ATOM 402 CA THR A 28 0.003 14.940 -6.024 1.00 0.00 C ATOM 403 C THR A 28 -1.053 14.054 -6.665 1.00 0.00 C ATOM 404 O THR A 28 -1.238 14.065 -7.865 1.00 0.00 O ATOM 405 CB THR A 28 -0.683 15.852 -4.999 1.00 0.00 C ATOM 406 OG1 THR A 28 -1.731 16.485 -5.704 1.00 0.00 O ATOM 407 CG2 THR A 28 0.247 17.000 -4.577 1.00 0.00 C ATOM 0 H THR A 28 0.466 16.791 -6.966 1.00 0.00 H new ATOM 0 HA THR A 28 0.749 14.299 -5.555 1.00 0.00 H new ATOM 0 HB THR A 28 -0.985 15.267 -4.130 1.00 0.00 H new ATOM 0 HG1 THR A 28 -2.215 17.086 -5.100 1.00 0.00 H new ATOM 0 HG21 THR A 28 -0.262 17.632 -3.850 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.152 16.589 -4.130 1.00 0.00 H new ATOM 0 HG23 THR A 28 0.512 17.594 -5.452 1.00 0.00 H new ATOM 415 N VAL A 29 -1.720 13.291 -5.843 1.00 0.00 N ATOM 416 CA VAL A 29 -2.773 12.386 -6.367 1.00 0.00 C ATOM 417 C VAL A 29 -3.976 12.334 -5.430 1.00 0.00 C ATOM 418 O VAL A 29 -3.825 12.349 -4.225 1.00 0.00 O ATOM 419 CB VAL A 29 -2.180 10.974 -6.462 1.00 0.00 C ATOM 420 CG1 VAL A 29 -3.131 10.076 -7.258 1.00 0.00 C ATOM 421 CG2 VAL A 29 -0.831 11.040 -7.179 1.00 0.00 C ATOM 0 H VAL A 29 -1.579 13.257 -4.833 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.103 12.755 -7.338 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.044 10.567 -5.460 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.712 9.072 -7.327 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.097 10.032 -6.754 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -3.263 10.484 -8.260 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.406 10.038 -7.248 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.971 11.445 -8.181 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -0.152 11.684 -6.619 1.00 0.00 H new ATOM 431 N ARG A 30 -5.151 12.272 -6.002 1.00 0.00 N ATOM 432 CA ARG A 30 -6.369 12.214 -5.154 1.00 0.00 C ATOM 433 C ARG A 30 -6.525 10.811 -4.602 1.00 0.00 C ATOM 434 O ARG A 30 -6.446 10.599 -3.407 1.00 0.00 O ATOM 435 CB ARG A 30 -7.597 12.539 -6.024 1.00 0.00 C ATOM 436 CG ARG A 30 -7.812 14.051 -6.058 1.00 0.00 C ATOM 437 CD ARG A 30 -8.856 14.438 -5.006 1.00 0.00 C ATOM 438 NE ARG A 30 -8.649 13.610 -3.783 1.00 0.00 N ATOM 439 CZ ARG A 30 -9.355 13.863 -2.715 1.00 0.00 C ATOM 440 NH1 ARG A 30 -10.655 13.869 -2.808 1.00 0.00 N ATOM 441 NH2 ARG A 30 -8.735 14.099 -1.590 1.00 0.00 N ATOM 0 H ARG A 30 -5.315 12.259 -7.009 1.00 0.00 H new ATOM 0 HA ARG A 30 -6.284 12.930 -4.336 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -7.450 12.159 -7.035 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -8.481 12.044 -5.623 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -6.873 14.568 -5.862 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -8.145 14.360 -7.049 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -8.769 15.497 -4.762 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -9.861 14.283 -5.399 1.00 0.00 H new ATOM 0 HE ARG A 30 -7.964 12.855 -3.781 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -11.103 13.678 -3.704 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -11.224 14.065 -1.985 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -7.716 14.084 -1.556 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -9.270 14.299 -0.745 1.00 0.00 H new ATOM 455 N TYR A 31 -6.748 9.876 -5.496 1.00 0.00 N ATOM 456 CA TYR A 31 -6.911 8.460 -5.066 1.00 0.00 C ATOM 457 C TYR A 31 -5.926 7.573 -5.797 1.00 0.00 C ATOM 458 O TYR A 31 -5.434 7.924 -6.860 1.00 0.00 O ATOM 459 CB TYR A 31 -8.329 7.963 -5.408 1.00 0.00 C ATOM 460 CG TYR A 31 -9.267 9.137 -5.644 1.00 0.00 C ATOM 461 CD1 TYR A 31 -9.759 9.862 -4.582 1.00 0.00 C ATOM 462 CD2 TYR A 31 -9.678 9.454 -6.920 1.00 0.00 C ATOM 463 CE1 TYR A 31 -10.651 10.888 -4.792 1.00 0.00 C ATOM 464 CE2 TYR A 31 -10.570 10.479 -7.133 1.00 0.00 C ATOM 465 CZ TYR A 31 -11.066 11.206 -6.070 1.00 0.00 C ATOM 466 OH TYR A 31 -11.963 12.233 -6.281 1.00 0.00 O ATOM 0 H TYR A 31 -6.823 10.037 -6.500 1.00 0.00 H new ATOM 0 HA TYR A 31 -6.738 8.414 -3.991 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -8.295 7.334 -6.297 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -8.709 7.345 -4.595 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -9.443 9.624 -3.577 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -9.297 8.893 -7.760 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -11.030 11.449 -3.951 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -10.884 10.716 -8.139 1.00 0.00 H new ATOM 0 HH TYR A 31 -12.143 12.318 -7.241 1.00 0.00 H new ATOM 476 N TYR A 32 -5.660 6.436 -5.216 1.00 0.00 N ATOM 477 CA TYR A 32 -4.711 5.485 -5.838 1.00 0.00 C ATOM 478 C TYR A 32 -5.433 4.203 -6.210 1.00 0.00 C ATOM 479 O TYR A 32 -6.059 3.587 -5.376 1.00 0.00 O ATOM 480 CB TYR A 32 -3.624 5.153 -4.807 1.00 0.00 C ATOM 481 CG TYR A 32 -2.310 5.785 -5.246 1.00 0.00 C ATOM 482 CD1 TYR A 32 -2.019 7.092 -4.921 1.00 0.00 C ATOM 483 CD2 TYR A 32 -1.399 5.059 -5.983 1.00 0.00 C ATOM 484 CE1 TYR A 32 -0.835 7.664 -5.329 1.00 0.00 C ATOM 485 CE2 TYR A 32 -0.215 5.633 -6.391 1.00 0.00 C ATOM 486 CZ TYR A 32 0.073 6.942 -6.066 1.00 0.00 C ATOM 487 OH TYR A 32 1.250 7.521 -6.468 1.00 0.00 O ATOM 0 H TYR A 32 -6.064 6.128 -4.332 1.00 0.00 H new ATOM 0 HA TYR A 32 -4.279 5.928 -6.735 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -3.911 5.527 -3.824 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -3.510 4.073 -4.716 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -2.724 7.671 -4.343 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -1.615 4.033 -6.242 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -0.618 8.689 -5.068 1.00 0.00 H new ATOM 0 HE2 TYR A 32 0.491 5.055 -6.968 1.00 0.00 H new ATOM 0 HH TYR A 32 1.798 6.857 -6.937 1.00 0.00 H new ATOM 497 N ARG A 33 -5.326 3.822 -7.454 1.00 0.00 N ATOM 498 CA ARG A 33 -6.003 2.577 -7.908 1.00 0.00 C ATOM 499 C ARG A 33 -4.986 1.471 -8.126 1.00 0.00 C ATOM 500 O ARG A 33 -4.343 1.419 -9.152 1.00 0.00 O ATOM 501 CB ARG A 33 -6.695 2.875 -9.247 1.00 0.00 C ATOM 502 CG ARG A 33 -8.214 2.886 -9.058 1.00 0.00 C ATOM 503 CD ARG A 33 -8.615 4.082 -8.178 1.00 0.00 C ATOM 504 NE ARG A 33 -9.957 4.565 -8.614 1.00 0.00 N ATOM 505 CZ ARG A 33 -10.164 5.845 -8.746 1.00 0.00 C ATOM 506 NH1 ARG A 33 -9.742 6.443 -9.827 1.00 0.00 N ATOM 507 NH2 ARG A 33 -10.783 6.484 -7.794 1.00 0.00 N ATOM 0 H ARG A 33 -4.800 4.319 -8.173 1.00 0.00 H new ATOM 0 HA ARG A 33 -6.720 2.256 -7.153 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -6.361 3.838 -9.632 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -6.417 2.123 -9.985 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -8.711 2.951 -10.026 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -8.540 1.955 -8.594 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -8.641 3.788 -7.129 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -7.878 4.881 -8.267 1.00 0.00 H new ATOM 0 HE ARG A 33 -10.706 3.900 -8.807 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -9.260 5.909 -10.550 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -9.895 7.444 -9.949 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -11.097 5.982 -6.963 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -10.954 7.486 -7.880 1.00 0.00 H new ATOM 521 N ILE A 34 -4.862 0.602 -7.161 1.00 0.00 N ATOM 522 CA ILE A 34 -3.881 -0.508 -7.307 1.00 0.00 C ATOM 523 C ILE A 34 -4.547 -1.775 -7.817 1.00 0.00 C ATOM 524 O ILE A 34 -5.607 -2.156 -7.360 1.00 0.00 O ATOM 525 CB ILE A 34 -3.271 -0.795 -5.939 1.00 0.00 C ATOM 526 CG1 ILE A 34 -2.777 0.501 -5.317 1.00 0.00 C ATOM 527 CG2 ILE A 34 -2.070 -1.741 -6.126 1.00 0.00 C ATOM 528 CD1 ILE A 34 -3.737 0.925 -4.209 1.00 0.00 C ATOM 0 H ILE A 34 -5.390 0.612 -6.289 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.120 -0.206 -8.027 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.021 -1.249 -5.291 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.774 0.365 -4.913 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.712 1.281 -6.076 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.622 -1.956 -5.156 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.407 -2.671 -6.584 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.330 -1.266 -6.770 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.387 1.854 -3.760 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.732 1.077 -4.628 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.779 0.147 -3.447 1.00 0.00 H new ATOM 540 N THR A 35 -3.904 -2.407 -8.762 1.00 0.00 N ATOM 541 CA THR A 35 -4.463 -3.657 -9.334 1.00 0.00 C ATOM 542 C THR A 35 -3.350 -4.667 -9.545 1.00 0.00 C ATOM 543 O THR A 35 -2.275 -4.307 -9.985 1.00 0.00 O ATOM 544 CB THR A 35 -5.084 -3.332 -10.697 1.00 0.00 C ATOM 545 OG1 THR A 35 -4.018 -3.428 -11.619 1.00 0.00 O ATOM 546 CG2 THR A 35 -5.520 -1.861 -10.769 1.00 0.00 C ATOM 0 H THR A 35 -3.014 -2.108 -9.161 1.00 0.00 H new ATOM 0 HA THR A 35 -5.209 -4.068 -8.654 1.00 0.00 H new ATOM 0 HB THR A 35 -5.934 -3.989 -10.881 1.00 0.00 H new ATOM 0 HG1 THR A 35 -4.347 -3.232 -12.521 1.00 0.00 H new ATOM 0 HG21 THR A 35 -5.957 -1.658 -11.747 1.00 0.00 H new ATOM 0 HG22 THR A 35 -6.259 -1.662 -9.993 1.00 0.00 H new ATOM 0 HG23 THR A 35 -4.654 -1.217 -10.618 1.00 0.00 H new ATOM 554 N TYR A 36 -3.612 -5.915 -9.223 1.00 0.00 N ATOM 555 CA TYR A 36 -2.552 -6.942 -9.411 1.00 0.00 C ATOM 556 C TYR A 36 -3.114 -8.239 -9.982 1.00 0.00 C ATOM 557 O TYR A 36 -4.285 -8.547 -9.816 1.00 0.00 O ATOM 558 CB TYR A 36 -1.884 -7.224 -8.046 1.00 0.00 C ATOM 559 CG TYR A 36 -2.950 -7.409 -6.958 1.00 0.00 C ATOM 560 CD1 TYR A 36 -3.724 -6.343 -6.533 1.00 0.00 C ATOM 561 CD2 TYR A 36 -3.141 -8.643 -6.374 1.00 0.00 C ATOM 562 CE1 TYR A 36 -4.670 -6.516 -5.551 1.00 0.00 C ATOM 563 CE2 TYR A 36 -4.087 -8.812 -5.387 1.00 0.00 C ATOM 564 CZ TYR A 36 -4.860 -7.752 -4.969 1.00 0.00 C ATOM 565 OH TYR A 36 -5.812 -7.926 -3.987 1.00 0.00 O ATOM 0 H TYR A 36 -4.497 -6.255 -8.846 1.00 0.00 H new ATOM 0 HA TYR A 36 -1.823 -6.557 -10.124 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -1.266 -8.119 -8.114 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -1.223 -6.399 -7.780 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -3.584 -5.368 -6.976 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -2.544 -9.484 -6.693 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -5.270 -5.677 -5.232 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -4.224 -9.784 -4.937 1.00 0.00 H new ATOM 0 HH TYR A 36 -5.810 -8.860 -3.691 1.00 0.00 H new ATOM 575 N GLY A 37 -2.254 -8.967 -10.665 1.00 0.00 N ATOM 576 CA GLY A 37 -2.677 -10.262 -11.278 1.00 0.00 C ATOM 577 C GLY A 37 -1.557 -10.808 -12.181 1.00 0.00 C ATOM 578 O GLY A 37 -0.873 -10.054 -12.847 1.00 0.00 O ATOM 0 H GLY A 37 -1.278 -8.715 -10.821 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.910 -10.985 -10.496 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.587 -10.118 -11.860 1.00 0.00 H new ATOM 582 N GLU A 38 -1.386 -12.110 -12.178 1.00 0.00 N ATOM 583 CA GLU A 38 -0.329 -12.707 -13.020 1.00 0.00 C ATOM 584 C GLU A 38 -0.508 -12.312 -14.482 1.00 0.00 C ATOM 585 O GLU A 38 -1.598 -12.001 -14.917 1.00 0.00 O ATOM 586 CB GLU A 38 -0.431 -14.234 -12.904 1.00 0.00 C ATOM 587 CG GLU A 38 -0.540 -14.627 -11.430 1.00 0.00 C ATOM 588 CD GLU A 38 -1.980 -15.041 -11.118 1.00 0.00 C ATOM 589 OE1 GLU A 38 -2.347 -16.111 -11.575 1.00 0.00 O ATOM 590 OE2 GLU A 38 -2.632 -14.263 -10.442 1.00 0.00 O ATOM 0 H GLU A 38 -1.935 -12.772 -11.629 1.00 0.00 H new ATOM 0 HA GLU A 38 0.643 -12.348 -12.681 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.301 -14.594 -13.453 1.00 0.00 H new ATOM 0 HB3 GLU A 38 0.445 -14.703 -13.353 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.142 -15.449 -11.210 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.245 -13.790 -10.797 1.00 0.00 H new ATOM 597 N THR A 39 0.572 -12.331 -15.215 1.00 0.00 N ATOM 598 CA THR A 39 0.488 -11.961 -16.649 1.00 0.00 C ATOM 599 C THR A 39 -0.143 -13.080 -17.468 1.00 0.00 C ATOM 600 O THR A 39 -0.064 -14.239 -17.108 1.00 0.00 O ATOM 601 CB THR A 39 1.908 -11.721 -17.163 1.00 0.00 C ATOM 602 OG1 THR A 39 2.610 -11.162 -16.072 1.00 0.00 O ATOM 603 CG2 THR A 39 1.924 -10.624 -18.235 1.00 0.00 C ATOM 0 H THR A 39 1.502 -12.586 -14.882 1.00 0.00 H new ATOM 0 HA THR A 39 -0.129 -11.068 -16.749 1.00 0.00 H new ATOM 0 HB THR A 39 2.318 -12.649 -17.561 1.00 0.00 H new ATOM 0 HG1 THR A 39 3.537 -10.984 -16.336 1.00 0.00 H new ATOM 0 HG21 THR A 39 2.945 -10.472 -18.585 1.00 0.00 H new ATOM 0 HG22 THR A 39 1.295 -10.925 -19.073 1.00 0.00 H new ATOM 0 HG23 THR A 39 1.544 -9.695 -17.811 1.00 0.00 H new ATOM 611 N GLY A 40 -0.762 -12.714 -18.559 1.00 0.00 N ATOM 612 CA GLY A 40 -1.406 -13.746 -19.420 1.00 0.00 C ATOM 613 C GLY A 40 -2.408 -14.568 -18.613 1.00 0.00 C ATOM 614 O GLY A 40 -2.094 -15.640 -18.137 1.00 0.00 O ATOM 0 H GLY A 40 -0.849 -11.753 -18.889 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.912 -13.265 -20.257 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.645 -14.402 -19.842 1.00 0.00 H new ATOM 618 N GLY A 41 -3.595 -14.048 -18.476 1.00 0.00 N ATOM 619 CA GLY A 41 -4.629 -14.788 -17.703 1.00 0.00 C ATOM 620 C GLY A 41 -5.953 -14.021 -17.708 1.00 0.00 C ATOM 621 O GLY A 41 -6.024 -12.897 -17.252 1.00 0.00 O ATOM 0 H GLY A 41 -3.892 -13.152 -18.862 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -4.774 -15.779 -18.134 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -4.290 -14.933 -16.677 1.00 0.00 H new ATOM 625 N ASN A 42 -6.975 -14.643 -18.227 1.00 0.00 N ATOM 626 CA ASN A 42 -8.293 -13.966 -18.268 1.00 0.00 C ATOM 627 C ASN A 42 -8.957 -14.018 -16.901 1.00 0.00 C ATOM 628 O ASN A 42 -10.167 -14.069 -16.794 1.00 0.00 O ATOM 629 CB ASN A 42 -9.184 -14.698 -19.283 1.00 0.00 C ATOM 630 CG ASN A 42 -10.038 -13.673 -20.033 1.00 0.00 C ATOM 631 OD1 ASN A 42 -11.241 -13.622 -19.880 1.00 0.00 O ATOM 632 ND2 ASN A 42 -9.455 -12.843 -20.853 1.00 0.00 N ATOM 0 H ASN A 42 -6.952 -15.584 -18.621 1.00 0.00 H new ATOM 0 HA ASN A 42 -8.156 -12.923 -18.555 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -8.569 -15.261 -19.985 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -9.823 -15.418 -18.772 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -10.010 -12.155 -21.362 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -8.444 -12.882 -20.985 1.00 0.00 H new ATOM 639 N SER A 43 -8.149 -14.003 -15.877 1.00 0.00 N ATOM 640 CA SER A 43 -8.702 -14.050 -14.506 1.00 0.00 C ATOM 641 C SER A 43 -7.784 -13.311 -13.527 1.00 0.00 C ATOM 642 O SER A 43 -7.128 -13.924 -12.707 1.00 0.00 O ATOM 643 CB SER A 43 -8.787 -15.523 -14.076 1.00 0.00 C ATOM 644 OG SER A 43 -9.597 -15.500 -12.910 1.00 0.00 O ATOM 0 H SER A 43 -7.132 -13.960 -15.936 1.00 0.00 H new ATOM 0 HA SER A 43 -9.683 -13.575 -14.497 1.00 0.00 H new ATOM 0 HB2 SER A 43 -9.231 -16.141 -14.857 1.00 0.00 H new ATOM 0 HB3 SER A 43 -7.800 -15.934 -13.867 1.00 0.00 H new ATOM 0 HG SER A 43 -9.704 -16.412 -12.568 1.00 0.00 H new ATOM 650 N PRO A 44 -7.753 -11.993 -13.636 1.00 0.00 N ATOM 651 CA PRO A 44 -6.915 -11.176 -12.763 1.00 0.00 C ATOM 652 C PRO A 44 -7.314 -11.344 -11.302 1.00 0.00 C ATOM 653 O PRO A 44 -8.453 -11.636 -10.999 1.00 0.00 O ATOM 654 CB PRO A 44 -7.163 -9.721 -13.218 1.00 0.00 C ATOM 655 CG PRO A 44 -8.123 -9.779 -14.447 1.00 0.00 C ATOM 656 CD PRO A 44 -8.548 -11.245 -14.625 1.00 0.00 C ATOM 0 HA PRO A 44 -5.866 -11.463 -12.833 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -7.605 -9.136 -12.412 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -6.224 -9.236 -13.486 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -8.994 -9.143 -14.285 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -7.623 -9.412 -15.343 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -9.616 -11.371 -14.450 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -8.348 -11.594 -15.638 1.00 0.00 H new ATOM 664 N VAL A 45 -6.370 -11.157 -10.419 1.00 0.00 N ATOM 665 CA VAL A 45 -6.691 -11.307 -8.981 1.00 0.00 C ATOM 666 C VAL A 45 -7.715 -10.287 -8.533 1.00 0.00 C ATOM 667 O VAL A 45 -8.878 -10.603 -8.377 1.00 0.00 O ATOM 668 CB VAL A 45 -5.413 -11.112 -8.156 1.00 0.00 C ATOM 669 CG1 VAL A 45 -5.749 -11.268 -6.677 1.00 0.00 C ATOM 670 CG2 VAL A 45 -4.384 -12.170 -8.554 1.00 0.00 C ATOM 0 H VAL A 45 -5.404 -10.910 -10.632 1.00 0.00 H new ATOM 0 HA VAL A 45 -7.104 -12.304 -8.830 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.003 -10.119 -8.341 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.846 -11.131 -6.082 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.489 -10.520 -6.391 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.153 -12.265 -6.499 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.475 -12.032 -7.968 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.791 -13.163 -8.364 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.151 -12.070 -9.614 1.00 0.00 H new ATOM 680 N GLN A 46 -7.278 -9.081 -8.329 1.00 0.00 N ATOM 681 CA GLN A 46 -8.248 -8.040 -7.885 1.00 0.00 C ATOM 682 C GLN A 46 -7.622 -6.647 -7.840 1.00 0.00 C ATOM 683 O GLN A 46 -6.532 -6.431 -8.335 1.00 0.00 O ATOM 684 CB GLN A 46 -8.729 -8.405 -6.469 1.00 0.00 C ATOM 685 CG GLN A 46 -10.258 -8.487 -6.463 1.00 0.00 C ATOM 686 CD GLN A 46 -10.746 -8.741 -5.034 1.00 0.00 C ATOM 687 OE1 GLN A 46 -10.967 -7.822 -4.269 1.00 0.00 O ATOM 688 NE2 GLN A 46 -10.927 -9.970 -4.634 1.00 0.00 N ATOM 0 H GLN A 46 -6.313 -8.771 -8.446 1.00 0.00 H new ATOM 0 HA GLN A 46 -9.070 -8.014 -8.601 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -8.300 -9.359 -6.161 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -8.390 -7.657 -5.753 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -10.685 -7.560 -6.846 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -10.593 -9.288 -7.122 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -10.744 -10.746 -5.270 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -11.252 -10.155 -3.685 1.00 0.00 H new ATOM 697 N GLU A 47 -8.337 -5.727 -7.234 1.00 0.00 N ATOM 698 CA GLU A 47 -7.826 -4.335 -7.133 1.00 0.00 C ATOM 699 C GLU A 47 -8.641 -3.532 -6.110 1.00 0.00 C ATOM 700 O GLU A 47 -9.593 -4.034 -5.544 1.00 0.00 O ATOM 701 CB GLU A 47 -7.999 -3.669 -8.505 1.00 0.00 C ATOM 702 CG GLU A 47 -9.489 -3.650 -8.867 1.00 0.00 C ATOM 703 CD GLU A 47 -9.651 -3.263 -10.340 1.00 0.00 C ATOM 704 OE1 GLU A 47 -8.868 -3.773 -11.123 1.00 0.00 O ATOM 705 OE2 GLU A 47 -10.550 -2.480 -10.597 1.00 0.00 O ATOM 0 H GLU A 47 -9.250 -5.886 -6.808 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.782 -4.357 -6.821 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -7.604 -2.653 -8.483 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.435 -4.214 -9.262 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.931 -4.630 -8.687 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.019 -2.940 -8.233 1.00 0.00 H new ATOM 712 N PHE A 48 -8.254 -2.296 -5.896 1.00 0.00 N ATOM 713 CA PHE A 48 -9.003 -1.451 -4.916 1.00 0.00 C ATOM 714 C PHE A 48 -8.497 -0.016 -4.927 1.00 0.00 C ATOM 715 O PHE A 48 -7.370 0.245 -5.299 1.00 0.00 O ATOM 716 CB PHE A 48 -8.833 -2.020 -3.492 1.00 0.00 C ATOM 717 CG PHE A 48 -7.520 -2.795 -3.373 1.00 0.00 C ATOM 718 CD1 PHE A 48 -6.302 -2.133 -3.390 1.00 0.00 C ATOM 719 CD2 PHE A 48 -7.535 -4.167 -3.196 1.00 0.00 C ATOM 720 CE1 PHE A 48 -5.122 -2.837 -3.230 1.00 0.00 C ATOM 721 CE2 PHE A 48 -6.356 -4.865 -3.037 1.00 0.00 C ATOM 722 CZ PHE A 48 -5.152 -4.200 -3.054 1.00 0.00 C ATOM 0 H PHE A 48 -7.462 -1.842 -6.352 1.00 0.00 H new ATOM 0 HA PHE A 48 -10.054 -1.461 -5.206 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -8.848 -1.207 -2.766 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -9.671 -2.676 -3.254 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -6.274 -1.062 -3.529 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -8.477 -4.695 -3.182 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -4.176 -2.315 -3.243 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -6.378 -5.936 -2.899 1.00 0.00 H new ATOM 0 HZ PHE A 48 -4.230 -4.749 -2.929 1.00 0.00 H new ATOM 732 N THR A 49 -9.350 0.895 -4.513 1.00 0.00 N ATOM 733 CA THR A 49 -8.949 2.328 -4.487 1.00 0.00 C ATOM 734 C THR A 49 -8.651 2.795 -3.068 1.00 0.00 C ATOM 735 O THR A 49 -9.086 2.191 -2.108 1.00 0.00 O ATOM 736 CB THR A 49 -10.117 3.176 -5.014 1.00 0.00 C ATOM 737 OG1 THR A 49 -11.119 3.080 -4.023 1.00 0.00 O ATOM 738 CG2 THR A 49 -10.756 2.551 -6.260 1.00 0.00 C ATOM 0 H THR A 49 -10.300 0.703 -4.195 1.00 0.00 H new ATOM 0 HA THR A 49 -8.054 2.440 -5.100 1.00 0.00 H new ATOM 0 HB THR A 49 -9.759 4.180 -5.241 1.00 0.00 H new ATOM 0 HG1 THR A 49 -11.901 3.604 -4.296 1.00 0.00 H new ATOM 0 HG21 THR A 49 -11.578 3.180 -6.602 1.00 0.00 H new ATOM 0 HG22 THR A 49 -10.009 2.469 -7.050 1.00 0.00 H new ATOM 0 HG23 THR A 49 -11.136 1.559 -6.015 1.00 0.00 H new ATOM 746 N VAL A 50 -7.911 3.866 -2.965 1.00 0.00 N ATOM 747 CA VAL A 50 -7.575 4.395 -1.623 1.00 0.00 C ATOM 748 C VAL A 50 -7.349 5.920 -1.706 1.00 0.00 C ATOM 749 O VAL A 50 -7.000 6.425 -2.751 1.00 0.00 O ATOM 750 CB VAL A 50 -6.279 3.728 -1.136 1.00 0.00 C ATOM 751 CG1 VAL A 50 -6.627 2.576 -0.194 1.00 0.00 C ATOM 752 CG2 VAL A 50 -5.508 3.182 -2.334 1.00 0.00 C ATOM 0 H VAL A 50 -7.529 4.392 -3.751 1.00 0.00 H new ATOM 0 HA VAL A 50 -8.393 4.184 -0.934 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.667 4.461 -0.611 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -5.710 2.100 0.153 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -7.183 2.960 0.661 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -7.237 1.844 -0.724 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.588 2.709 -1.990 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.121 2.447 -2.857 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.263 3.999 -3.012 1.00 0.00 H new ATOM 762 N PRO A 51 -7.549 6.635 -0.597 1.00 0.00 N ATOM 763 CA PRO A 51 -7.356 8.091 -0.586 1.00 0.00 C ATOM 764 C PRO A 51 -5.897 8.482 -0.845 1.00 0.00 C ATOM 765 O PRO A 51 -5.518 9.618 -0.639 1.00 0.00 O ATOM 766 CB PRO A 51 -7.746 8.529 0.841 1.00 0.00 C ATOM 767 CG PRO A 51 -7.987 7.235 1.673 1.00 0.00 C ATOM 768 CD PRO A 51 -7.986 6.057 0.689 1.00 0.00 C ATOM 0 HA PRO A 51 -7.950 8.564 -1.368 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -6.955 9.131 1.288 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -8.644 9.146 0.822 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -7.207 7.110 2.424 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -8.936 7.291 2.205 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -7.309 5.268 1.018 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -8.977 5.612 0.605 1.00 0.00 H new ATOM 776 N GLY A 52 -5.106 7.543 -1.288 1.00 0.00 N ATOM 777 CA GLY A 52 -3.673 7.867 -1.557 1.00 0.00 C ATOM 778 C GLY A 52 -3.003 8.369 -0.273 1.00 0.00 C ATOM 779 O GLY A 52 -2.009 9.061 -0.319 1.00 0.00 O ATOM 0 H GLY A 52 -5.383 6.579 -1.474 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -3.154 6.983 -1.927 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.603 8.627 -2.336 1.00 0.00 H new ATOM 783 N SER A 53 -3.565 8.003 0.850 1.00 0.00 N ATOM 784 CA SER A 53 -2.976 8.449 2.139 1.00 0.00 C ATOM 785 C SER A 53 -1.795 7.568 2.531 1.00 0.00 C ATOM 786 O SER A 53 -0.748 8.060 2.903 1.00 0.00 O ATOM 787 CB SER A 53 -4.056 8.344 3.229 1.00 0.00 C ATOM 788 OG SER A 53 -3.888 9.527 3.997 1.00 0.00 O ATOM 0 H SER A 53 -4.398 7.420 0.926 1.00 0.00 H new ATOM 0 HA SER A 53 -2.625 9.475 2.032 1.00 0.00 H new ATOM 0 HB2 SER A 53 -5.055 8.288 2.796 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.922 7.450 3.839 1.00 0.00 H new ATOM 0 HG SER A 53 -4.547 9.542 4.723 1.00 0.00 H new ATOM 794 N LYS A 54 -1.985 6.281 2.443 1.00 0.00 N ATOM 795 CA LYS A 54 -0.883 5.354 2.805 1.00 0.00 C ATOM 796 C LYS A 54 0.057 5.147 1.627 1.00 0.00 C ATOM 797 O LYS A 54 -0.375 4.909 0.517 1.00 0.00 O ATOM 798 CB LYS A 54 -1.495 4.001 3.197 1.00 0.00 C ATOM 799 CG LYS A 54 -1.925 4.050 4.666 1.00 0.00 C ATOM 800 CD LYS A 54 -3.138 3.135 4.866 1.00 0.00 C ATOM 801 CE LYS A 54 -2.758 1.704 4.477 1.00 0.00 C ATOM 802 NZ LYS A 54 -3.601 0.719 5.215 1.00 0.00 N ATOM 0 H LYS A 54 -2.850 5.836 2.138 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.316 5.780 3.633 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -2.352 3.778 2.562 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.769 3.202 3.044 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.104 3.732 5.309 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -2.174 5.072 4.951 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -3.466 3.167 5.905 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.974 3.480 4.257 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.885 1.567 3.403 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -1.705 1.528 4.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -3.329 -0.246 4.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -3.460 0.839 6.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -4.602 0.877 4.983 1.00 0.00 H new ATOM 816 N SER A 55 1.327 5.238 1.889 1.00 0.00 N ATOM 817 CA SER A 55 2.315 5.050 0.800 1.00 0.00 C ATOM 818 C SER A 55 2.553 3.570 0.520 1.00 0.00 C ATOM 819 O SER A 55 3.219 3.210 -0.448 1.00 0.00 O ATOM 820 CB SER A 55 3.631 5.686 1.250 1.00 0.00 C ATOM 821 OG SER A 55 3.293 7.044 1.497 1.00 0.00 O ATOM 0 H SER A 55 1.722 5.434 2.809 1.00 0.00 H new ATOM 0 HA SER A 55 1.937 5.512 -0.112 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.021 5.203 2.146 1.00 0.00 H new ATOM 0 HB3 SER A 55 4.399 5.600 0.481 1.00 0.00 H new ATOM 0 HG SER A 55 4.090 7.530 1.795 1.00 0.00 H new ATOM 827 N THR A 56 2.000 2.737 1.366 1.00 0.00 N ATOM 828 CA THR A 56 2.172 1.273 1.181 1.00 0.00 C ATOM 829 C THR A 56 0.853 0.540 1.363 1.00 0.00 C ATOM 830 O THR A 56 -0.185 1.150 1.520 1.00 0.00 O ATOM 831 CB THR A 56 3.163 0.773 2.234 1.00 0.00 C ATOM 832 OG1 THR A 56 2.477 0.866 3.467 1.00 0.00 O ATOM 833 CG2 THR A 56 4.344 1.742 2.376 1.00 0.00 C ATOM 0 H THR A 56 1.439 3.011 2.173 1.00 0.00 H new ATOM 0 HA THR A 56 2.536 1.082 0.171 1.00 0.00 H new ATOM 0 HB THR A 56 3.516 -0.223 1.965 1.00 0.00 H new ATOM 0 HG1 THR A 56 3.061 0.556 4.190 1.00 0.00 H new ATOM 0 HG21 THR A 56 5.035 1.365 3.130 1.00 0.00 H new ATOM 0 HG22 THR A 56 4.861 1.828 1.420 1.00 0.00 H new ATOM 0 HG23 THR A 56 3.976 2.722 2.678 1.00 0.00 H new ATOM 841 N ALA A 57 0.916 -0.764 1.339 1.00 0.00 N ATOM 842 CA ALA A 57 -0.325 -1.555 1.509 1.00 0.00 C ATOM 843 C ALA A 57 -0.006 -3.004 1.842 1.00 0.00 C ATOM 844 O ALA A 57 0.978 -3.552 1.372 1.00 0.00 O ATOM 845 CB ALA A 57 -1.112 -1.515 0.190 1.00 0.00 C ATOM 0 H ALA A 57 1.769 -1.308 1.210 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.906 -1.129 2.327 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.030 -2.093 0.296 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.360 -0.482 -0.055 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.505 -1.942 -0.609 1.00 0.00 H new ATOM 851 N THR A 58 -0.851 -3.598 2.646 1.00 0.00 N ATOM 852 CA THR A 58 -0.636 -5.012 3.039 1.00 0.00 C ATOM 853 C THR A 58 -1.653 -5.921 2.360 1.00 0.00 C ATOM 854 O THR A 58 -2.826 -5.884 2.679 1.00 0.00 O ATOM 855 CB THR A 58 -0.818 -5.116 4.556 1.00 0.00 C ATOM 856 OG1 THR A 58 0.396 -4.654 5.110 1.00 0.00 O ATOM 857 CG2 THR A 58 -0.913 -6.583 4.999 1.00 0.00 C ATOM 0 H THR A 58 -1.681 -3.159 3.045 1.00 0.00 H new ATOM 0 HA THR A 58 0.365 -5.322 2.738 1.00 0.00 H new ATOM 0 HB THR A 58 -1.712 -4.570 4.858 1.00 0.00 H new ATOM 0 HG1 THR A 58 0.345 -4.693 6.088 1.00 0.00 H new ATOM 0 HG21 THR A 58 -1.042 -6.629 6.080 1.00 0.00 H new ATOM 0 HG22 THR A 58 -1.766 -7.056 4.512 1.00 0.00 H new ATOM 0 HG23 THR A 58 0.001 -7.107 4.720 1.00 0.00 H new ATOM 865 N ILE A 59 -1.180 -6.726 1.440 1.00 0.00 N ATOM 866 CA ILE A 59 -2.099 -7.653 0.721 1.00 0.00 C ATOM 867 C ILE A 59 -1.844 -9.084 1.162 1.00 0.00 C ATOM 868 O ILE A 59 -0.722 -9.462 1.426 1.00 0.00 O ATOM 869 CB ILE A 59 -1.823 -7.544 -0.786 1.00 0.00 C ATOM 870 CG1 ILE A 59 -1.820 -6.082 -1.204 1.00 0.00 C ATOM 871 CG2 ILE A 59 -2.945 -8.272 -1.554 1.00 0.00 C ATOM 872 CD1 ILE A 59 -1.540 -5.991 -2.707 1.00 0.00 C ATOM 0 H ILE A 59 -0.201 -6.779 1.159 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.132 -7.386 0.944 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.855 -7.992 -1.009 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -2.781 -5.623 -0.972 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -1.061 -5.533 -0.646 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -2.758 -8.200 -2.625 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.967 -9.321 -1.259 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.904 -7.810 -1.321 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.536 -4.945 -3.014 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.569 -6.436 -2.924 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -2.315 -6.527 -3.255 1.00 0.00 H new ATOM 884 N SER A 60 -2.886 -9.856 1.235 1.00 0.00 N ATOM 885 CA SER A 60 -2.712 -11.266 1.660 1.00 0.00 C ATOM 886 C SER A 60 -3.736 -12.174 0.991 1.00 0.00 C ATOM 887 O SER A 60 -4.911 -12.115 1.295 1.00 0.00 O ATOM 888 CB SER A 60 -2.918 -11.333 3.179 1.00 0.00 C ATOM 889 OG SER A 60 -1.774 -10.685 3.713 1.00 0.00 O ATOM 0 H SER A 60 -3.843 -9.575 1.021 1.00 0.00 H new ATOM 0 HA SER A 60 -1.715 -11.602 1.375 1.00 0.00 H new ATOM 0 HB2 SER A 60 -3.837 -10.830 3.479 1.00 0.00 H new ATOM 0 HB3 SER A 60 -2.991 -12.364 3.526 1.00 0.00 H new ATOM 0 HG SER A 60 -1.360 -11.259 4.391 1.00 0.00 H new ATOM 895 N GLY A 61 -3.276 -13.003 0.091 1.00 0.00 N ATOM 896 CA GLY A 61 -4.225 -13.921 -0.603 1.00 0.00 C ATOM 897 C GLY A 61 -3.514 -14.708 -1.707 1.00 0.00 C ATOM 898 O GLY A 61 -4.058 -15.651 -2.247 1.00 0.00 O ATOM 0 H GLY A 61 -2.299 -13.084 -0.190 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.662 -14.612 0.118 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -5.046 -13.346 -1.032 1.00 0.00 H new ATOM 902 N LEU A 62 -2.312 -14.308 -2.021 1.00 0.00 N ATOM 903 CA LEU A 62 -1.568 -15.027 -3.082 1.00 0.00 C ATOM 904 C LEU A 62 -1.194 -16.433 -2.628 1.00 0.00 C ATOM 905 O LEU A 62 -1.732 -16.946 -1.667 1.00 0.00 O ATOM 906 CB LEU A 62 -0.277 -14.225 -3.433 1.00 0.00 C ATOM 907 CG LEU A 62 0.794 -14.370 -2.322 1.00 0.00 C ATOM 908 CD1 LEU A 62 2.023 -13.544 -2.706 1.00 0.00 C ATOM 909 CD2 LEU A 62 0.241 -13.841 -0.999 1.00 0.00 C ATOM 0 H LEU A 62 -1.821 -13.523 -1.592 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.205 -15.113 -3.962 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.128 -14.580 -4.381 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.525 -13.172 -3.567 1.00 0.00 H new ATOM 0 HG LEU A 62 1.062 -15.421 -2.212 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.783 -13.640 -1.930 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.424 -13.906 -3.653 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.740 -12.497 -2.809 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.997 -13.945 -0.221 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.024 -12.789 -1.110 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.646 -14.411 -0.721 1.00 0.00 H new ATOM 921 N LYS A 63 -0.277 -17.028 -3.336 1.00 0.00 N ATOM 922 CA LYS A 63 0.156 -18.398 -2.977 1.00 0.00 C ATOM 923 C LYS A 63 1.315 -18.887 -3.874 1.00 0.00 C ATOM 924 O LYS A 63 2.252 -19.494 -3.392 1.00 0.00 O ATOM 925 CB LYS A 63 -1.052 -19.367 -3.107 1.00 0.00 C ATOM 926 CG LYS A 63 -1.289 -20.081 -1.764 1.00 0.00 C ATOM 927 CD LYS A 63 -2.629 -20.827 -1.819 1.00 0.00 C ATOM 928 CE LYS A 63 -2.625 -21.799 -3.000 1.00 0.00 C ATOM 929 NZ LYS A 63 -3.612 -22.891 -2.772 1.00 0.00 N ATOM 0 H LYS A 63 0.189 -16.622 -4.147 1.00 0.00 H new ATOM 0 HA LYS A 63 0.518 -18.381 -1.949 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.945 -18.814 -3.399 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.861 -20.100 -3.891 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.478 -20.780 -1.562 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.295 -19.357 -0.949 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.793 -21.370 -0.888 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.449 -20.116 -1.922 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.867 -21.266 -3.919 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -1.628 -22.221 -3.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.600 -23.544 -3.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.363 -23.409 -1.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.563 -22.483 -2.671 1.00 0.00 H new ATOM 943 N PRO A 64 1.229 -18.618 -5.175 1.00 0.00 N ATOM 944 CA PRO A 64 2.269 -19.037 -6.110 1.00 0.00 C ATOM 945 C PRO A 64 3.457 -18.079 -6.110 1.00 0.00 C ATOM 946 O PRO A 64 3.574 -17.214 -5.265 1.00 0.00 O ATOM 947 CB PRO A 64 1.584 -18.984 -7.494 1.00 0.00 C ATOM 948 CG PRO A 64 0.187 -18.317 -7.289 1.00 0.00 C ATOM 949 CD PRO A 64 0.085 -17.944 -5.800 1.00 0.00 C ATOM 0 HA PRO A 64 2.660 -20.020 -5.846 1.00 0.00 H new ATOM 0 HB2 PRO A 64 2.185 -18.410 -8.200 1.00 0.00 H new ATOM 0 HB3 PRO A 64 1.475 -19.986 -7.909 1.00 0.00 H new ATOM 0 HG2 PRO A 64 0.086 -17.432 -7.917 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -0.613 -19.001 -7.572 1.00 0.00 H new ATOM 0 HD2 PRO A 64 0.133 -16.865 -5.657 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -0.858 -18.281 -5.370 1.00 0.00 H new ATOM 957 N GLY A 65 4.309 -18.270 -7.067 1.00 0.00 N ATOM 958 CA GLY A 65 5.516 -17.408 -7.190 1.00 0.00 C ATOM 959 C GLY A 65 5.867 -17.281 -8.669 1.00 0.00 C ATOM 960 O GLY A 65 6.704 -18.003 -9.175 1.00 0.00 O ATOM 0 H GLY A 65 4.224 -18.994 -7.780 1.00 0.00 H new ATOM 0 HA2 GLY A 65 5.326 -16.425 -6.759 1.00 0.00 H new ATOM 0 HA3 GLY A 65 6.350 -17.842 -6.638 1.00 0.00 H new ATOM 964 N VAL A 66 5.214 -16.367 -9.329 1.00 0.00 N ATOM 965 CA VAL A 66 5.485 -16.175 -10.778 1.00 0.00 C ATOM 966 C VAL A 66 5.429 -14.692 -11.170 1.00 0.00 C ATOM 967 O VAL A 66 5.311 -13.820 -10.322 1.00 0.00 O ATOM 968 CB VAL A 66 4.394 -16.963 -11.551 1.00 0.00 C ATOM 969 CG1 VAL A 66 3.024 -16.305 -11.323 1.00 0.00 C ATOM 970 CG2 VAL A 66 4.713 -16.986 -13.054 1.00 0.00 C ATOM 0 H VAL A 66 4.508 -15.748 -8.930 1.00 0.00 H new ATOM 0 HA VAL A 66 6.486 -16.533 -11.018 1.00 0.00 H new ATOM 0 HB VAL A 66 4.373 -17.988 -11.182 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.259 -16.860 -11.867 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.790 -16.312 -10.259 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.050 -15.276 -11.682 1.00 0.00 H new ATOM 0 HG21 VAL A 66 3.938 -17.542 -13.582 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.749 -15.965 -13.434 1.00 0.00 H new ATOM 0 HG23 VAL A 66 5.678 -17.467 -13.214 1.00 0.00 H new ATOM 980 N ASP A 67 5.532 -14.438 -12.450 1.00 0.00 N ATOM 981 CA ASP A 67 5.490 -13.042 -12.935 1.00 0.00 C ATOM 982 C ASP A 67 4.212 -12.334 -12.500 1.00 0.00 C ATOM 983 O ASP A 67 3.164 -12.508 -13.092 1.00 0.00 O ATOM 984 CB ASP A 67 5.557 -13.067 -14.475 1.00 0.00 C ATOM 985 CG ASP A 67 6.626 -12.079 -14.941 1.00 0.00 C ATOM 986 OD1 ASP A 67 6.633 -10.995 -14.385 1.00 0.00 O ATOM 987 OD2 ASP A 67 7.374 -12.466 -15.822 1.00 0.00 O ATOM 0 H ASP A 67 5.644 -15.146 -13.176 1.00 0.00 H new ATOM 0 HA ASP A 67 6.333 -12.496 -12.511 1.00 0.00 H new ATOM 0 HB2 ASP A 67 5.794 -14.072 -14.826 1.00 0.00 H new ATOM 0 HB3 ASP A 67 4.588 -12.802 -14.899 1.00 0.00 H new ATOM 992 N TYR A 68 4.322 -11.553 -11.459 1.00 0.00 N ATOM 993 CA TYR A 68 3.137 -10.821 -10.963 1.00 0.00 C ATOM 994 C TYR A 68 3.153 -9.399 -11.503 1.00 0.00 C ATOM 995 O TYR A 68 4.086 -8.656 -11.266 1.00 0.00 O ATOM 996 CB TYR A 68 3.195 -10.780 -9.430 1.00 0.00 C ATOM 997 CG TYR A 68 2.126 -11.719 -8.864 1.00 0.00 C ATOM 998 CD1 TYR A 68 2.404 -13.055 -8.659 1.00 0.00 C ATOM 999 CD2 TYR A 68 0.863 -11.246 -8.563 1.00 0.00 C ATOM 1000 CE1 TYR A 68 1.437 -13.905 -8.163 1.00 0.00 C ATOM 1001 CE2 TYR A 68 -0.104 -12.096 -8.067 1.00 0.00 C ATOM 1002 CZ TYR A 68 0.176 -13.432 -7.863 1.00 0.00 C ATOM 1003 OH TYR A 68 -0.796 -14.283 -7.372 1.00 0.00 O ATOM 0 H TYR A 68 5.183 -11.395 -10.936 1.00 0.00 H new ATOM 0 HA TYR A 68 2.226 -11.321 -11.294 1.00 0.00 H new ATOM 0 HB2 TYR A 68 4.183 -11.082 -9.083 1.00 0.00 H new ATOM 0 HB3 TYR A 68 3.029 -9.763 -9.074 1.00 0.00 H new ATOM 0 HD1 TYR A 68 3.387 -13.439 -8.889 1.00 0.00 H new ATOM 0 HD2 TYR A 68 0.631 -10.203 -8.717 1.00 0.00 H new ATOM 0 HE1 TYR A 68 1.669 -14.948 -8.008 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -1.087 -11.713 -7.837 1.00 0.00 H new ATOM 0 HH TYR A 68 -1.622 -13.780 -7.215 1.00 0.00 H new ATOM 1013 N THR A 69 2.123 -9.044 -12.224 1.00 0.00 N ATOM 1014 CA THR A 69 2.068 -7.672 -12.787 1.00 0.00 C ATOM 1015 C THR A 69 1.269 -6.733 -11.905 1.00 0.00 C ATOM 1016 O THR A 69 0.122 -6.998 -11.591 1.00 0.00 O ATOM 1017 CB THR A 69 1.388 -7.745 -14.158 1.00 0.00 C ATOM 1018 OG1 THR A 69 2.052 -8.782 -14.851 1.00 0.00 O ATOM 1019 CG2 THR A 69 1.678 -6.482 -14.982 1.00 0.00 C ATOM 0 H THR A 69 1.326 -9.641 -12.444 1.00 0.00 H new ATOM 0 HA THR A 69 3.085 -7.288 -12.859 1.00 0.00 H new ATOM 0 HB THR A 69 0.314 -7.878 -14.029 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.451 -9.550 -14.944 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.184 -6.558 -15.951 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.302 -5.607 -14.451 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.753 -6.383 -15.130 1.00 0.00 H new ATOM 1027 N ILE A 70 1.898 -5.646 -11.516 1.00 0.00 N ATOM 1028 CA ILE A 70 1.205 -4.658 -10.652 1.00 0.00 C ATOM 1029 C ILE A 70 0.968 -3.372 -11.417 1.00 0.00 C ATOM 1030 O ILE A 70 1.655 -3.084 -12.379 1.00 0.00 O ATOM 1031 CB ILE A 70 2.083 -4.342 -9.448 1.00 0.00 C ATOM 1032 CG1 ILE A 70 1.515 -3.122 -8.729 1.00 0.00 C ATOM 1033 CG2 ILE A 70 3.514 -4.021 -9.935 1.00 0.00 C ATOM 1034 CD1 ILE A 70 2.034 -3.098 -7.311 1.00 0.00 C ATOM 0 H ILE A 70 2.859 -5.409 -11.763 1.00 0.00 H new ATOM 0 HA ILE A 70 0.251 -5.078 -10.333 1.00 0.00 H new ATOM 0 HB ILE A 70 2.107 -5.196 -8.771 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.804 -2.210 -9.251 1.00 0.00 H new ATOM 0 HG13 ILE A 70 0.426 -3.158 -8.730 1.00 0.00 H new ATOM 0 HG21 ILE A 70 4.148 -3.794 -9.078 1.00 0.00 H new ATOM 0 HG22 ILE A 70 3.919 -4.882 -10.468 1.00 0.00 H new ATOM 0 HG23 ILE A 70 3.486 -3.161 -10.604 1.00 0.00 H new ATOM 0 HD11 ILE A 70 1.632 -2.228 -6.791 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.723 -4.006 -6.794 1.00 0.00 H new ATOM 0 HD13 ILE A 70 3.123 -3.042 -7.323 1.00 0.00 H new ATOM 1046 N THR A 71 0.010 -2.615 -10.980 1.00 0.00 N ATOM 1047 CA THR A 71 -0.275 -1.355 -11.674 1.00 0.00 C ATOM 1048 C THR A 71 -0.937 -0.358 -10.748 1.00 0.00 C ATOM 1049 O THR A 71 -1.827 -0.715 -9.997 1.00 0.00 O ATOM 1050 CB THR A 71 -1.249 -1.663 -12.809 1.00 0.00 C ATOM 1051 OG1 THR A 71 -1.295 -3.073 -12.885 1.00 0.00 O ATOM 1052 CG2 THR A 71 -0.683 -1.226 -14.158 1.00 0.00 C ATOM 0 H THR A 71 -0.582 -2.819 -10.175 1.00 0.00 H new ATOM 0 HA THR A 71 0.660 -0.928 -12.037 1.00 0.00 H new ATOM 0 HB THR A 71 -2.200 -1.166 -12.620 1.00 0.00 H new ATOM 0 HG1 THR A 71 -2.133 -3.395 -12.491 1.00 0.00 H new ATOM 0 HG21 THR A 71 -1.399 -1.459 -14.946 1.00 0.00 H new ATOM 0 HG22 THR A 71 -0.496 -0.152 -14.143 1.00 0.00 H new ATOM 0 HG23 THR A 71 0.251 -1.755 -14.349 1.00 0.00 H new ATOM 1060 N VAL A 72 -0.490 0.880 -10.810 1.00 0.00 N ATOM 1061 CA VAL A 72 -1.103 1.915 -9.925 1.00 0.00 C ATOM 1062 C VAL A 72 -1.442 3.146 -10.740 1.00 0.00 C ATOM 1063 O VAL A 72 -0.584 3.774 -11.354 1.00 0.00 O ATOM 1064 CB VAL A 72 -0.157 2.264 -8.714 1.00 0.00 C ATOM 1065 CG1 VAL A 72 0.542 0.995 -8.252 1.00 0.00 C ATOM 1066 CG2 VAL A 72 0.899 3.300 -9.089 1.00 0.00 C ATOM 0 H VAL A 72 0.257 1.208 -11.423 1.00 0.00 H new ATOM 0 HA VAL A 72 -2.024 1.516 -9.501 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.773 2.686 -7.920 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.199 1.226 -7.414 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -0.202 0.263 -7.938 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.131 0.585 -9.072 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.527 3.509 -8.223 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.516 2.914 -9.900 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.409 4.219 -9.412 1.00 0.00 H new ATOM 1076 N TYR A 73 -2.715 3.427 -10.779 1.00 0.00 N ATOM 1077 CA TYR A 73 -3.197 4.594 -11.533 1.00 0.00 C ATOM 1078 C TYR A 73 -3.307 5.798 -10.618 1.00 0.00 C ATOM 1079 O TYR A 73 -4.141 5.834 -9.737 1.00 0.00 O ATOM 1080 CB TYR A 73 -4.597 4.254 -12.075 1.00 0.00 C ATOM 1081 CG TYR A 73 -4.483 3.671 -13.478 1.00 0.00 C ATOM 1082 CD1 TYR A 73 -3.722 2.542 -13.707 1.00 0.00 C ATOM 1083 CD2 TYR A 73 -5.138 4.261 -14.541 1.00 0.00 C ATOM 1084 CE1 TYR A 73 -3.616 2.013 -14.975 1.00 0.00 C ATOM 1085 CE2 TYR A 73 -5.031 3.732 -15.811 1.00 0.00 C ATOM 1086 CZ TYR A 73 -4.271 2.604 -16.037 1.00 0.00 C ATOM 1087 OH TYR A 73 -4.161 2.080 -17.307 1.00 0.00 O ATOM 0 H TYR A 73 -3.442 2.885 -10.312 1.00 0.00 H new ATOM 0 HA TYR A 73 -2.504 4.827 -12.342 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -5.089 3.540 -11.414 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.217 5.150 -12.094 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -3.205 2.069 -12.885 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -5.739 5.143 -14.377 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -3.016 1.130 -15.139 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -5.546 4.205 -16.634 1.00 0.00 H new ATOM 0 HH TYR A 73 -4.688 2.621 -17.931 1.00 0.00 H new ATOM 1097 N ALA A 74 -2.465 6.763 -10.836 1.00 0.00 N ATOM 1098 CA ALA A 74 -2.520 7.962 -9.980 1.00 0.00 C ATOM 1099 C ALA A 74 -3.561 8.941 -10.496 1.00 0.00 C ATOM 1100 O ALA A 74 -3.290 9.721 -11.388 1.00 0.00 O ATOM 1101 CB ALA A 74 -1.143 8.641 -10.008 1.00 0.00 C ATOM 0 H ALA A 74 -1.750 6.770 -11.563 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.789 7.667 -8.966 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.164 9.531 -9.380 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -0.389 7.949 -9.633 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -0.898 8.925 -11.032 1.00 0.00 H new ATOM 1107 N VAL A 75 -4.738 8.891 -9.925 1.00 0.00 N ATOM 1108 CA VAL A 75 -5.803 9.823 -10.385 1.00 0.00 C ATOM 1109 C VAL A 75 -5.828 11.085 -9.533 1.00 0.00 C ATOM 1110 O VAL A 75 -5.860 11.015 -8.323 1.00 0.00 O ATOM 1111 CB VAL A 75 -7.160 9.112 -10.267 1.00 0.00 C ATOM 1112 CG1 VAL A 75 -8.217 9.918 -11.023 1.00 0.00 C ATOM 1113 CG2 VAL A 75 -7.051 7.718 -10.887 1.00 0.00 C ATOM 0 H VAL A 75 -5.002 8.255 -9.173 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.602 10.107 -11.418 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.443 9.028 -9.218 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -9.182 9.418 -10.943 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -8.289 10.917 -10.593 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.934 9.994 -12.073 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -8.011 7.208 -10.807 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -6.775 7.808 -11.938 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -6.290 7.144 -10.359 1.00 0.00 H new ATOM 1123 N THR A 76 -5.815 12.220 -10.190 1.00 0.00 N ATOM 1124 CA THR A 76 -5.836 13.507 -9.441 1.00 0.00 C ATOM 1125 C THR A 76 -7.228 14.128 -9.459 1.00 0.00 C ATOM 1126 O THR A 76 -8.219 13.444 -9.302 1.00 0.00 O ATOM 1127 CB THR A 76 -4.863 14.472 -10.124 1.00 0.00 C ATOM 1128 OG1 THR A 76 -5.502 14.857 -11.325 1.00 0.00 O ATOM 1129 CG2 THR A 76 -3.596 13.737 -10.580 1.00 0.00 C ATOM 0 H THR A 76 -5.791 12.307 -11.206 1.00 0.00 H new ATOM 0 HA THR A 76 -5.552 13.320 -8.405 1.00 0.00 H new ATOM 0 HB THR A 76 -4.609 15.285 -9.444 1.00 0.00 H new ATOM 0 HG1 THR A 76 -4.928 15.482 -11.815 1.00 0.00 H new ATOM 0 HG21 THR A 76 -2.920 14.443 -11.062 1.00 0.00 H new ATOM 0 HG22 THR A 76 -3.102 13.294 -9.716 1.00 0.00 H new ATOM 0 HG23 THR A 76 -3.865 12.952 -11.286 1.00 0.00 H new ATOM 1137 N GLY A 77 -7.274 15.422 -9.647 1.00 0.00 N ATOM 1138 CA GLY A 77 -8.596 16.113 -9.679 1.00 0.00 C ATOM 1139 C GLY A 77 -8.471 17.544 -9.150 1.00 0.00 C ATOM 1140 O GLY A 77 -8.444 17.764 -7.954 1.00 0.00 O ATOM 0 H GLY A 77 -6.461 16.024 -9.778 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -8.979 16.129 -10.699 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -9.316 15.559 -9.077 1.00 0.00 H new ATOM 1144 N ARG A 78 -8.393 18.482 -10.061 1.00 0.00 N ATOM 1145 CA ARG A 78 -8.269 19.914 -9.655 1.00 0.00 C ATOM 1146 C ARG A 78 -9.422 20.733 -10.210 1.00 0.00 C ATOM 1147 O ARG A 78 -10.007 21.544 -9.519 1.00 0.00 O ATOM 1148 CB ARG A 78 -6.948 20.465 -10.215 1.00 0.00 C ATOM 1149 CG ARG A 78 -5.910 20.526 -9.085 1.00 0.00 C ATOM 1150 CD ARG A 78 -4.605 21.122 -9.620 1.00 0.00 C ATOM 1151 NE ARG A 78 -4.301 20.521 -10.949 1.00 0.00 N ATOM 1152 CZ ARG A 78 -3.193 19.850 -11.110 1.00 0.00 C ATOM 1153 NH1 ARG A 78 -2.097 20.501 -11.386 1.00 0.00 N ATOM 1154 NH2 ARG A 78 -3.220 18.551 -10.990 1.00 0.00 N ATOM 0 H ARG A 78 -8.410 18.317 -11.067 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.288 19.980 -8.567 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -6.587 19.828 -11.023 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -7.103 21.458 -10.637 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -6.288 21.132 -8.262 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -5.730 19.527 -8.688 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -4.695 22.205 -9.709 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -3.789 20.926 -8.924 1.00 0.00 H new ATOM 0 HE ARG A 78 -4.953 20.633 -11.726 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -2.115 21.517 -11.473 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -1.221 19.994 -11.515 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -4.097 18.077 -10.774 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -2.364 18.010 -11.112 1.00 0.00 H new ATOM 1168 N GLY A 79 -9.726 20.505 -11.448 1.00 0.00 N ATOM 1169 CA GLY A 79 -10.845 21.259 -12.087 1.00 0.00 C ATOM 1170 C GLY A 79 -12.187 20.687 -11.642 1.00 0.00 C ATOM 1171 O GLY A 79 -12.725 21.073 -10.624 1.00 0.00 O ATOM 0 H GLY A 79 -9.253 19.832 -12.051 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -10.783 22.313 -11.817 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -10.759 21.202 -13.172 1.00 0.00 H new ATOM 1175 N ASP A 80 -12.696 19.781 -12.421 1.00 0.00 N ATOM 1176 CA ASP A 80 -14.000 19.162 -12.073 1.00 0.00 C ATOM 1177 C ASP A 80 -14.017 17.686 -12.452 1.00 0.00 C ATOM 1178 O ASP A 80 -14.185 16.830 -11.607 1.00 0.00 O ATOM 1179 CB ASP A 80 -15.106 19.888 -12.850 1.00 0.00 C ATOM 1180 CG ASP A 80 -15.794 20.895 -11.926 1.00 0.00 C ATOM 1181 OD1 ASP A 80 -16.493 20.427 -11.042 1.00 0.00 O ATOM 1182 OD2 ASP A 80 -15.581 22.073 -12.155 1.00 0.00 O ATOM 0 H ASP A 80 -12.267 19.442 -13.282 1.00 0.00 H new ATOM 0 HA ASP A 80 -14.159 19.247 -10.998 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -14.683 20.400 -13.715 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -15.832 19.169 -13.229 1.00 0.00 H new ATOM 1187 N SER A 81 -13.839 17.411 -13.718 1.00 0.00 N ATOM 1188 CA SER A 81 -13.846 15.994 -14.152 1.00 0.00 C ATOM 1189 C SER A 81 -12.449 15.358 -13.935 1.00 0.00 C ATOM 1190 O SER A 81 -11.450 16.042 -14.017 1.00 0.00 O ATOM 1191 CB SER A 81 -14.178 15.954 -15.654 1.00 0.00 C ATOM 1192 OG SER A 81 -15.428 15.285 -15.715 1.00 0.00 O ATOM 0 H SER A 81 -13.692 18.099 -14.456 1.00 0.00 H new ATOM 0 HA SER A 81 -14.583 15.439 -13.572 1.00 0.00 H new ATOM 0 HB2 SER A 81 -14.242 16.957 -16.075 1.00 0.00 H new ATOM 0 HB3 SER A 81 -13.412 15.420 -16.217 1.00 0.00 H new ATOM 0 HG SER A 81 -15.718 15.217 -16.649 1.00 0.00 H new ATOM 1198 N PRO A 82 -12.399 14.045 -13.661 1.00 0.00 N ATOM 1199 CA PRO A 82 -11.118 13.370 -13.445 1.00 0.00 C ATOM 1200 C PRO A 82 -10.230 13.449 -14.684 1.00 0.00 C ATOM 1201 O PRO A 82 -10.486 12.792 -15.674 1.00 0.00 O ATOM 1202 CB PRO A 82 -11.483 11.894 -13.179 1.00 0.00 C ATOM 1203 CG PRO A 82 -13.024 11.758 -13.355 1.00 0.00 C ATOM 1204 CD PRO A 82 -13.586 13.173 -13.551 1.00 0.00 C ATOM 0 HA PRO A 82 -10.567 13.832 -12.626 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -10.958 11.237 -13.873 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -11.184 11.600 -12.173 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -13.259 11.129 -14.213 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -13.471 11.284 -12.481 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -14.203 13.232 -14.448 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -14.215 13.467 -12.711 1.00 0.00 H new ATOM 1212 N ALA A 83 -9.200 14.245 -14.607 1.00 0.00 N ATOM 1213 CA ALA A 83 -8.292 14.371 -15.774 1.00 0.00 C ATOM 1214 C ALA A 83 -7.227 13.281 -15.746 1.00 0.00 C ATOM 1215 O ALA A 83 -6.301 13.336 -14.961 1.00 0.00 O ATOM 1216 CB ALA A 83 -7.601 15.742 -15.706 1.00 0.00 C ATOM 0 H ALA A 83 -8.952 14.808 -13.793 1.00 0.00 H new ATOM 0 HA ALA A 83 -8.872 14.271 -16.692 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -6.929 15.853 -16.557 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -8.353 16.530 -15.733 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -7.030 15.816 -14.780 1.00 0.00 H new ATOM 1222 N SER A 84 -7.375 12.310 -16.603 1.00 0.00 N ATOM 1223 CA SER A 84 -6.380 11.210 -16.638 1.00 0.00 C ATOM 1224 C SER A 84 -4.962 11.761 -16.721 1.00 0.00 C ATOM 1225 O SER A 84 -4.651 12.554 -17.588 1.00 0.00 O ATOM 1226 CB SER A 84 -6.649 10.353 -17.881 1.00 0.00 C ATOM 1227 OG SER A 84 -5.374 9.830 -18.224 1.00 0.00 O ATOM 0 H SER A 84 -8.138 12.233 -17.276 1.00 0.00 H new ATOM 0 HA SER A 84 -6.472 10.620 -15.726 1.00 0.00 H new ATOM 0 HB2 SER A 84 -7.363 9.557 -17.669 1.00 0.00 H new ATOM 0 HB3 SER A 84 -7.067 10.948 -18.693 1.00 0.00 H new ATOM 0 HG SER A 84 -5.456 9.262 -19.018 1.00 0.00 H new ATOM 1233 N SER A 85 -4.128 11.331 -15.816 1.00 0.00 N ATOM 1234 CA SER A 85 -2.727 11.817 -15.825 1.00 0.00 C ATOM 1235 C SER A 85 -1.824 10.868 -16.603 1.00 0.00 C ATOM 1236 O SER A 85 -1.934 10.751 -17.808 1.00 0.00 O ATOM 1237 CB SER A 85 -2.233 11.887 -14.373 1.00 0.00 C ATOM 1238 OG SER A 85 -2.491 10.589 -13.854 1.00 0.00 O ATOM 0 H SER A 85 -4.357 10.668 -15.076 1.00 0.00 H new ATOM 0 HA SER A 85 -2.694 12.796 -16.302 1.00 0.00 H new ATOM 0 HB2 SER A 85 -1.172 12.132 -14.325 1.00 0.00 H new ATOM 0 HB3 SER A 85 -2.763 12.654 -13.809 1.00 0.00 H new ATOM 0 HG SER A 85 -2.746 10.659 -12.910 1.00 0.00 H new ATOM 1244 N LYS A 86 -0.947 10.210 -15.894 1.00 0.00 N ATOM 1245 CA LYS A 86 -0.021 9.259 -16.559 1.00 0.00 C ATOM 1246 C LYS A 86 0.170 7.996 -15.682 1.00 0.00 C ATOM 1247 O LYS A 86 1.122 7.904 -14.933 1.00 0.00 O ATOM 1248 CB LYS A 86 1.347 9.965 -16.717 1.00 0.00 C ATOM 1249 CG LYS A 86 1.472 10.531 -18.147 1.00 0.00 C ATOM 1250 CD LYS A 86 1.538 9.380 -19.167 1.00 0.00 C ATOM 1251 CE LYS A 86 2.570 9.721 -20.245 1.00 0.00 C ATOM 1252 NZ LYS A 86 2.467 8.765 -21.385 1.00 0.00 N ATOM 0 H LYS A 86 -0.834 10.292 -14.884 1.00 0.00 H new ATOM 0 HA LYS A 86 -0.427 8.961 -17.525 1.00 0.00 H new ATOM 0 HB2 LYS A 86 1.440 10.769 -15.987 1.00 0.00 H new ATOM 0 HB3 LYS A 86 2.156 9.261 -16.521 1.00 0.00 H new ATOM 0 HG2 LYS A 86 0.620 11.174 -18.368 1.00 0.00 H new ATOM 0 HG3 LYS A 86 2.367 11.149 -18.225 1.00 0.00 H new ATOM 0 HD2 LYS A 86 1.810 8.450 -18.667 1.00 0.00 H new ATOM 0 HD3 LYS A 86 0.559 9.223 -19.620 1.00 0.00 H new ATOM 0 HE2 LYS A 86 2.411 10.739 -20.600 1.00 0.00 H new ATOM 0 HE3 LYS A 86 3.574 9.684 -19.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 3.173 9.009 -22.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 2.641 7.798 -21.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 1.515 8.820 -21.799 1.00 0.00 H new ATOM 1266 N PRO A 87 -0.753 7.038 -15.789 1.00 0.00 N ATOM 1267 CA PRO A 87 -0.663 5.805 -15.001 1.00 0.00 C ATOM 1268 C PRO A 87 0.638 5.068 -15.264 1.00 0.00 C ATOM 1269 O PRO A 87 1.317 5.347 -16.231 1.00 0.00 O ATOM 1270 CB PRO A 87 -1.852 4.949 -15.480 1.00 0.00 C ATOM 1271 CG PRO A 87 -2.731 5.849 -16.400 1.00 0.00 C ATOM 1272 CD PRO A 87 -1.917 7.114 -16.694 1.00 0.00 C ATOM 0 HA PRO A 87 -0.688 6.014 -13.932 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -1.500 4.072 -16.023 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -2.431 4.586 -14.631 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -2.982 5.328 -17.324 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -3.672 6.100 -15.910 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -1.604 7.148 -17.738 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -2.504 8.013 -16.507 1.00 0.00 H new ATOM 1280 N ILE A 88 0.972 4.134 -14.390 1.00 0.00 N ATOM 1281 CA ILE A 88 2.234 3.375 -14.592 1.00 0.00 C ATOM 1282 C ILE A 88 2.003 1.898 -14.370 1.00 0.00 C ATOM 1283 O ILE A 88 1.224 1.508 -13.522 1.00 0.00 O ATOM 1284 CB ILE A 88 3.270 3.863 -13.582 1.00 0.00 C ATOM 1285 CG1 ILE A 88 4.625 3.212 -13.872 1.00 0.00 C ATOM 1286 CG2 ILE A 88 2.803 3.440 -12.191 1.00 0.00 C ATOM 1287 CD1 ILE A 88 5.629 3.627 -12.796 1.00 0.00 C ATOM 0 H ILE A 88 0.429 3.877 -13.565 1.00 0.00 H new ATOM 0 HA ILE A 88 2.583 3.534 -15.612 1.00 0.00 H new ATOM 0 HB ILE A 88 3.375 4.946 -13.646 1.00 0.00 H new ATOM 0 HG12 ILE A 88 4.523 2.127 -13.891 1.00 0.00 H new ATOM 0 HG13 ILE A 88 4.983 3.515 -14.856 1.00 0.00 H new ATOM 0 HG21 ILE A 88 3.525 3.776 -11.447 1.00 0.00 H new ATOM 0 HG22 ILE A 88 1.832 3.888 -11.982 1.00 0.00 H new ATOM 0 HG23 ILE A 88 2.718 2.354 -12.150 1.00 0.00 H new ATOM 0 HD11 ILE A 88 6.594 3.164 -13.001 1.00 0.00 H new ATOM 0 HD12 ILE A 88 5.738 4.711 -12.799 1.00 0.00 H new ATOM 0 HD13 ILE A 88 5.271 3.302 -11.819 1.00 0.00 H new ATOM 1299 N SER A 89 2.691 1.103 -15.140 1.00 0.00 N ATOM 1300 CA SER A 89 2.542 -0.364 -15.009 1.00 0.00 C ATOM 1301 C SER A 89 3.908 -1.038 -15.073 1.00 0.00 C ATOM 1302 O SER A 89 4.703 -0.731 -15.939 1.00 0.00 O ATOM 1303 CB SER A 89 1.705 -0.863 -16.199 1.00 0.00 C ATOM 1304 OG SER A 89 2.435 -0.429 -17.337 1.00 0.00 O ATOM 0 H SER A 89 3.350 1.411 -15.855 1.00 0.00 H new ATOM 0 HA SER A 89 2.066 -0.600 -14.057 1.00 0.00 H new ATOM 0 HB2 SER A 89 1.596 -1.947 -16.184 1.00 0.00 H new ATOM 0 HB3 SER A 89 0.700 -0.442 -16.185 1.00 0.00 H new ATOM 0 HG SER A 89 3.376 -0.304 -17.094 1.00 0.00 H new ATOM 1310 N ILE A 90 4.162 -1.943 -14.161 1.00 0.00 N ATOM 1311 CA ILE A 90 5.482 -2.637 -14.174 1.00 0.00 C ATOM 1312 C ILE A 90 5.332 -4.106 -13.819 1.00 0.00 C ATOM 1313 O ILE A 90 4.464 -4.482 -13.055 1.00 0.00 O ATOM 1314 CB ILE A 90 6.412 -1.989 -13.143 1.00 0.00 C ATOM 1315 CG1 ILE A 90 5.907 -0.601 -12.764 1.00 0.00 C ATOM 1316 CG2 ILE A 90 7.809 -1.847 -13.773 1.00 0.00 C ATOM 1317 CD1 ILE A 90 6.906 0.044 -11.804 1.00 0.00 C ATOM 0 H ILE A 90 3.522 -2.227 -13.419 1.00 0.00 H new ATOM 0 HA ILE A 90 5.896 -2.550 -15.179 1.00 0.00 H new ATOM 0 HB ILE A 90 6.445 -2.611 -12.248 1.00 0.00 H new ATOM 0 HG12 ILE A 90 5.790 0.014 -13.656 1.00 0.00 H new ATOM 0 HG13 ILE A 90 4.926 -0.672 -12.295 1.00 0.00 H new ATOM 0 HG21 ILE A 90 8.487 -1.387 -13.054 1.00 0.00 H new ATOM 0 HG22 ILE A 90 8.186 -2.832 -14.048 1.00 0.00 H new ATOM 0 HG23 ILE A 90 7.745 -1.221 -14.663 1.00 0.00 H new ATOM 0 HD11 ILE A 90 6.554 1.038 -11.526 1.00 0.00 H new ATOM 0 HD12 ILE A 90 7.000 -0.571 -10.909 1.00 0.00 H new ATOM 0 HD13 ILE A 90 7.878 0.126 -12.291 1.00 0.00 H new ATOM 1329 N ASN A 91 6.189 -4.907 -14.382 1.00 0.00 N ATOM 1330 CA ASN A 91 6.139 -6.352 -14.110 1.00 0.00 C ATOM 1331 C ASN A 91 7.157 -6.730 -13.044 1.00 0.00 C ATOM 1332 O ASN A 91 8.166 -6.071 -12.888 1.00 0.00 O ATOM 1333 CB ASN A 91 6.481 -7.077 -15.418 1.00 0.00 C ATOM 1334 CG ASN A 91 7.784 -7.863 -15.254 1.00 0.00 C ATOM 1335 OD1 ASN A 91 8.827 -7.309 -14.963 1.00 0.00 O ATOM 1336 ND2 ASN A 91 7.771 -9.153 -15.443 1.00 0.00 N ATOM 0 H ASN A 91 6.925 -4.612 -15.023 1.00 0.00 H new ATOM 0 HA ASN A 91 5.149 -6.631 -13.750 1.00 0.00 H new ATOM 0 HB2 ASN A 91 5.671 -7.753 -15.692 1.00 0.00 H new ATOM 0 HB3 ASN A 91 6.581 -6.355 -16.228 1.00 0.00 H new ATOM 0 HD21 ASN A 91 8.632 -9.691 -15.347 1.00 0.00 H new ATOM 0 HD22 ASN A 91 6.900 -9.624 -15.687 1.00 0.00 H new ATOM 1343 N TYR A 92 6.881 -7.781 -12.322 1.00 0.00 N ATOM 1344 CA TYR A 92 7.836 -8.198 -11.266 1.00 0.00 C ATOM 1345 C TYR A 92 7.706 -9.685 -10.955 1.00 0.00 C ATOM 1346 O TYR A 92 6.617 -10.223 -10.918 1.00 0.00 O ATOM 1347 CB TYR A 92 7.517 -7.400 -9.991 1.00 0.00 C ATOM 1348 CG TYR A 92 8.663 -7.562 -8.992 1.00 0.00 C ATOM 1349 CD1 TYR A 92 8.786 -8.717 -8.249 1.00 0.00 C ATOM 1350 CD2 TYR A 92 9.591 -6.556 -8.822 1.00 0.00 C ATOM 1351 CE1 TYR A 92 9.823 -8.864 -7.349 1.00 0.00 C ATOM 1352 CE2 TYR A 92 10.627 -6.703 -7.924 1.00 0.00 C ATOM 1353 CZ TYR A 92 10.750 -7.858 -7.179 1.00 0.00 C ATOM 1354 OH TYR A 92 11.784 -8.001 -6.277 1.00 0.00 O ATOM 0 H TYR A 92 6.047 -8.360 -12.418 1.00 0.00 H new ATOM 0 HA TYR A 92 8.851 -8.008 -11.614 1.00 0.00 H new ATOM 0 HB2 TYR A 92 7.377 -6.347 -10.233 1.00 0.00 H new ATOM 0 HB3 TYR A 92 6.584 -7.753 -9.552 1.00 0.00 H new ATOM 0 HD1 TYR A 92 8.066 -9.513 -8.372 1.00 0.00 H new ATOM 0 HD2 TYR A 92 9.506 -5.646 -9.397 1.00 0.00 H new ATOM 0 HE1 TYR A 92 9.908 -9.774 -6.774 1.00 0.00 H new ATOM 0 HE2 TYR A 92 11.348 -5.908 -7.803 1.00 0.00 H new ATOM 0 HH TYR A 92 12.342 -7.196 -6.289 1.00 0.00 H new ATOM 1364 N ARG A 93 8.827 -10.326 -10.739 1.00 0.00 N ATOM 1365 CA ARG A 93 8.787 -11.775 -10.428 1.00 0.00 C ATOM 1366 C ARG A 93 8.677 -11.978 -8.927 1.00 0.00 C ATOM 1367 O ARG A 93 9.663 -11.922 -8.217 1.00 0.00 O ATOM 1368 CB ARG A 93 10.085 -12.444 -10.946 1.00 0.00 C ATOM 1369 CG ARG A 93 10.985 -11.386 -11.607 1.00 0.00 C ATOM 1370 CD ARG A 93 12.244 -12.059 -12.178 1.00 0.00 C ATOM 1371 NE ARG A 93 12.161 -13.534 -11.972 1.00 0.00 N ATOM 1372 CZ ARG A 93 12.751 -14.333 -12.822 1.00 0.00 C ATOM 1373 NH1 ARG A 93 14.054 -14.366 -12.856 1.00 0.00 N ATOM 1374 NH2 ARG A 93 12.016 -15.073 -13.609 1.00 0.00 N ATOM 0 H ARG A 93 9.757 -9.908 -10.765 1.00 0.00 H new ATOM 0 HA ARG A 93 7.921 -12.225 -10.914 1.00 0.00 H new ATOM 0 HB2 ARG A 93 10.614 -12.921 -10.121 1.00 0.00 H new ATOM 0 HB3 ARG A 93 9.841 -13.227 -11.664 1.00 0.00 H new ATOM 0 HG2 ARG A 93 10.440 -10.877 -12.403 1.00 0.00 H new ATOM 0 HG3 ARG A 93 11.266 -10.627 -10.877 1.00 0.00 H new ATOM 0 HD2 ARG A 93 12.338 -11.835 -13.241 1.00 0.00 H new ATOM 0 HD3 ARG A 93 13.134 -11.663 -11.689 1.00 0.00 H new ATOM 0 HE ARG A 93 11.649 -13.915 -11.176 1.00 0.00 H new ATOM 0 HH11 ARG A 93 14.596 -13.775 -12.226 1.00 0.00 H new ATOM 0 HH12 ARG A 93 14.532 -14.983 -13.513 1.00 0.00 H new ATOM 0 HH21 ARG A 93 10.999 -15.022 -13.554 1.00 0.00 H new ATOM 0 HH22 ARG A 93 12.459 -15.702 -14.278 1.00 0.00 H new ATOM 1388 N THR A 94 7.465 -12.210 -8.470 1.00 0.00 N ATOM 1389 CA THR A 94 7.248 -12.421 -7.011 1.00 0.00 C ATOM 1390 C THR A 94 6.651 -13.801 -6.746 1.00 0.00 C ATOM 1391 O THR A 94 5.977 -14.287 -7.647 1.00 0.00 O ATOM 1392 CB THR A 94 6.259 -11.353 -6.512 1.00 0.00 C ATOM 1393 OG1 THR A 94 5.951 -10.568 -7.648 1.00 0.00 O ATOM 1394 CG2 THR A 94 6.943 -10.371 -5.540 1.00 0.00 C ATOM 1395 OXT THR A 94 6.902 -14.297 -5.659 1.00 0.00 O ATOM 0 H THR A 94 6.625 -12.261 -9.046 1.00 0.00 H new ATOM 0 HA THR A 94 8.204 -12.348 -6.493 1.00 0.00 H new ATOM 0 HB THR A 94 5.412 -11.838 -6.028 1.00 0.00 H new ATOM 0 HG1 THR A 94 5.318 -9.863 -7.397 1.00 0.00 H new ATOM 0 HG21 THR A 94 6.219 -9.628 -5.204 1.00 0.00 H new ATOM 0 HG22 THR A 94 7.326 -10.919 -4.679 1.00 0.00 H new ATOM 0 HG23 THR A 94 7.767 -9.871 -6.048 1.00 0.00 H new TER 1403 THR A 94