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 39 THR OG1 : rot 9:sc= -0.0143! USER MOD Set 1.2: A 69 THR OG1 : rot 101:sc= 1 USER MOD Set 2.1: A 17 SER OG : rot 180:sc= 0.858 USER MOD Set 2.2: A 60 SER OG : rot -105:sc= 0.814 USER MOD Single : A 1 VAL N :NH3+ 174:sc= -0.175 (180deg=-0.232) USER MOD Single : A 2 SER OG : rot 54:sc= 0.259 USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.0291 USER MOD Single : A 16 THR OG1 : rot -70:sc= 0.36 USER MOD Single : A 21 SER OG : rot 107:sc= -3.51! USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 110:sc= 0.0079 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -66:sc= -0.178 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.037) USER MOD Single : A 43 SER OG : rot 69:sc= 0.75 USER MOD Single : A 46 GLN : amide:sc= -2.6! C(o=-2.6!,f=-3.3!) 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=-0.00031 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 170:sc= -1.25 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= -0.0221 USER MOD Single : A 71 THR OG1 : rot 180:sc= -1.82 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.456 USER MOD Single : A 81 SER OG : rot 180:sc= -0.2 USER MOD Single : A 84 SER OG : rot -130:sc= 1.23 USER MOD Single : A 85 SER OG : rot -114:sc= 0.796 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= -0.621 X(o=-0.62,f=-0.62) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 7.605 20.231 -11.714 1.00 0.00 N ATOM 2 CA VAL A 1 8.659 19.365 -12.289 1.00 0.00 C ATOM 3 C VAL A 1 8.732 18.051 -11.522 1.00 0.00 C ATOM 4 O VAL A 1 9.638 17.267 -11.716 1.00 0.00 O ATOM 5 CB VAL A 1 10.026 20.071 -12.201 1.00 0.00 C ATOM 6 CG1 VAL A 1 10.646 19.825 -10.820 1.00 0.00 C ATOM 7 CG2 VAL A 1 10.955 19.504 -13.278 1.00 0.00 C ATOM 0 H1 VAL A 1 7.630 21.162 -12.176 1.00 0.00 H new ATOM 0 H2 VAL A 1 6.674 19.793 -11.868 1.00 0.00 H new ATOM 0 H3 VAL A 1 7.769 20.346 -10.694 1.00 0.00 H new ATOM 0 HA VAL A 1 8.414 19.167 -13.332 1.00 0.00 H new ATOM 0 HB VAL A 1 9.892 21.142 -12.353 1.00 0.00 H new ATOM 0 HG11 VAL A 1 11.613 20.325 -10.761 1.00 0.00 H new ATOM 0 HG12 VAL A 1 9.985 20.220 -10.049 1.00 0.00 H new ATOM 0 HG13 VAL A 1 10.782 18.754 -10.668 1.00 0.00 H new ATOM 0 HG21 VAL A 1 11.924 20.000 -13.221 1.00 0.00 H new ATOM 0 HG22 VAL A 1 11.085 18.434 -13.119 1.00 0.00 H new ATOM 0 HG23 VAL A 1 10.518 19.674 -14.262 1.00 0.00 H new ATOM 19 N SER A 2 7.775 17.830 -10.663 1.00 0.00 N ATOM 20 CA SER A 2 7.785 16.570 -9.883 1.00 0.00 C ATOM 21 C SER A 2 6.398 16.240 -9.346 1.00 0.00 C ATOM 22 O SER A 2 5.981 16.758 -8.329 1.00 0.00 O ATOM 23 CB SER A 2 8.746 16.743 -8.701 1.00 0.00 C ATOM 24 OG SER A 2 8.497 18.063 -8.242 1.00 0.00 O ATOM 0 H SER A 2 6.997 18.462 -10.472 1.00 0.00 H new ATOM 0 HA SER A 2 8.102 15.756 -10.534 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.554 16.007 -7.920 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.784 16.617 -9.009 1.00 0.00 H new ATOM 0 HG SER A 2 7.539 18.172 -8.064 1.00 0.00 H new ATOM 30 N ASP A 3 5.710 15.380 -10.046 1.00 0.00 N ATOM 31 CA ASP A 3 4.347 14.991 -9.607 1.00 0.00 C ATOM 32 C ASP A 3 4.120 13.507 -9.847 1.00 0.00 C ATOM 33 O ASP A 3 3.319 12.887 -9.190 1.00 0.00 O ATOM 34 CB ASP A 3 3.321 15.780 -10.433 1.00 0.00 C ATOM 35 CG ASP A 3 3.041 17.121 -9.752 1.00 0.00 C ATOM 36 OD1 ASP A 3 3.982 17.650 -9.187 1.00 0.00 O ATOM 37 OD2 ASP A 3 1.898 17.541 -9.838 1.00 0.00 O ATOM 0 H ASP A 3 6.036 14.932 -10.902 1.00 0.00 H new ATOM 0 HA ASP A 3 4.239 15.206 -8.544 1.00 0.00 H new ATOM 0 HB2 ASP A 3 3.699 15.944 -11.442 1.00 0.00 H new ATOM 0 HB3 ASP A 3 2.398 15.208 -10.528 1.00 0.00 H new ATOM 42 N VAL A 4 4.828 12.965 -10.791 1.00 0.00 N ATOM 43 CA VAL A 4 4.659 11.518 -11.081 1.00 0.00 C ATOM 44 C VAL A 4 5.198 10.684 -9.886 1.00 0.00 C ATOM 45 O VAL A 4 6.172 11.068 -9.272 1.00 0.00 O ATOM 46 CB VAL A 4 5.511 11.169 -12.344 1.00 0.00 C ATOM 47 CG1 VAL A 4 4.611 10.668 -13.499 1.00 0.00 C ATOM 48 CG2 VAL A 4 6.276 12.412 -12.810 1.00 0.00 C ATOM 0 H VAL A 4 5.510 13.454 -11.370 1.00 0.00 H new ATOM 0 HA VAL A 4 3.605 11.294 -11.245 1.00 0.00 H new ATOM 0 HB VAL A 4 6.210 10.377 -12.074 1.00 0.00 H new ATOM 0 HG11 VAL A 4 5.229 10.432 -14.366 1.00 0.00 H new ATOM 0 HG12 VAL A 4 4.075 9.774 -13.181 1.00 0.00 H new ATOM 0 HG13 VAL A 4 3.894 11.445 -13.765 1.00 0.00 H new ATOM 0 HG21 VAL A 4 6.869 12.165 -13.691 1.00 0.00 H new ATOM 0 HG22 VAL A 4 5.568 13.203 -13.059 1.00 0.00 H new ATOM 0 HG23 VAL A 4 6.936 12.753 -12.012 1.00 0.00 H new ATOM 58 N PRO A 5 4.559 9.546 -9.571 1.00 0.00 N ATOM 59 CA PRO A 5 5.019 8.717 -8.457 1.00 0.00 C ATOM 60 C PRO A 5 6.507 8.438 -8.602 1.00 0.00 C ATOM 61 O PRO A 5 7.128 8.914 -9.530 1.00 0.00 O ATOM 62 CB PRO A 5 4.216 7.405 -8.580 1.00 0.00 C ATOM 63 CG PRO A 5 3.187 7.600 -9.737 1.00 0.00 C ATOM 64 CD PRO A 5 3.405 9.012 -10.308 1.00 0.00 C ATOM 0 HA PRO A 5 4.871 9.199 -7.491 1.00 0.00 H new ATOM 0 HB2 PRO A 5 4.879 6.567 -8.792 1.00 0.00 H new ATOM 0 HB3 PRO A 5 3.705 7.178 -7.645 1.00 0.00 H new ATOM 0 HG2 PRO A 5 3.331 6.846 -10.511 1.00 0.00 H new ATOM 0 HG3 PRO A 5 2.168 7.488 -9.368 1.00 0.00 H new ATOM 0 HD2 PRO A 5 3.602 8.978 -11.379 1.00 0.00 H new ATOM 0 HD3 PRO A 5 2.523 9.636 -10.166 1.00 0.00 H new ATOM 72 N ARG A 6 7.069 7.674 -7.703 1.00 0.00 N ATOM 73 CA ARG A 6 8.527 7.401 -7.846 1.00 0.00 C ATOM 74 C ARG A 6 9.043 6.313 -6.898 1.00 0.00 C ATOM 75 O ARG A 6 8.366 5.886 -5.985 1.00 0.00 O ATOM 76 CB ARG A 6 9.278 8.703 -7.529 1.00 0.00 C ATOM 77 CG ARG A 6 8.725 9.288 -6.228 1.00 0.00 C ATOM 78 CD ARG A 6 9.739 10.276 -5.646 1.00 0.00 C ATOM 79 NE ARG A 6 10.673 9.545 -4.741 1.00 0.00 N ATOM 80 CZ ARG A 6 11.336 10.213 -3.838 1.00 0.00 C ATOM 81 NH1 ARG A 6 12.497 10.714 -4.155 1.00 0.00 N ATOM 82 NH2 ARG A 6 10.819 10.353 -2.648 1.00 0.00 N ATOM 0 H ARG A 6 6.603 7.242 -6.905 1.00 0.00 H new ATOM 0 HA ARG A 6 8.696 7.047 -8.863 1.00 0.00 H new ATOM 0 HB2 ARG A 6 10.346 8.508 -7.431 1.00 0.00 H new ATOM 0 HB3 ARG A 6 9.158 9.416 -8.344 1.00 0.00 H new ATOM 0 HG2 ARG A 6 7.777 9.791 -6.416 1.00 0.00 H new ATOM 0 HG3 ARG A 6 8.526 8.490 -5.513 1.00 0.00 H new ATOM 0 HD2 ARG A 6 10.296 10.759 -6.449 1.00 0.00 H new ATOM 0 HD3 ARG A 6 9.223 11.064 -5.097 1.00 0.00 H new ATOM 0 HE ARG A 6 10.792 8.536 -4.827 1.00 0.00 H new ATOM 0 HH11 ARG A 6 12.871 10.580 -5.095 1.00 0.00 H new ATOM 0 HH12 ARG A 6 13.032 11.240 -3.463 1.00 0.00 H new ATOM 0 HH21 ARG A 6 9.910 9.943 -2.436 1.00 0.00 H new ATOM 0 HH22 ARG A 6 11.324 10.872 -1.930 1.00 0.00 H new ATOM 96 N ASP A 7 10.258 5.900 -7.166 1.00 0.00 N ATOM 97 CA ASP A 7 10.928 4.846 -6.346 1.00 0.00 C ATOM 98 C ASP A 7 9.963 3.816 -5.753 1.00 0.00 C ATOM 99 O ASP A 7 9.584 3.911 -4.602 1.00 0.00 O ATOM 100 CB ASP A 7 11.676 5.537 -5.194 1.00 0.00 C ATOM 101 CG ASP A 7 12.843 6.350 -5.763 1.00 0.00 C ATOM 102 OD1 ASP A 7 13.857 5.725 -6.031 1.00 0.00 O ATOM 103 OD2 ASP A 7 12.654 7.547 -5.898 1.00 0.00 O ATOM 0 H ASP A 7 10.824 6.258 -7.935 1.00 0.00 H new ATOM 0 HA ASP A 7 11.598 4.301 -7.011 1.00 0.00 H new ATOM 0 HB2 ASP A 7 10.997 6.189 -4.644 1.00 0.00 H new ATOM 0 HB3 ASP A 7 12.046 4.794 -4.488 1.00 0.00 H new ATOM 108 N LEU A 8 9.584 2.853 -6.557 1.00 0.00 N ATOM 109 CA LEU A 8 8.654 1.802 -6.065 1.00 0.00 C ATOM 110 C LEU A 8 9.462 0.551 -5.748 1.00 0.00 C ATOM 111 O LEU A 8 10.479 0.314 -6.368 1.00 0.00 O ATOM 112 CB LEU A 8 7.642 1.471 -7.174 1.00 0.00 C ATOM 113 CG LEU A 8 6.819 2.720 -7.495 1.00 0.00 C ATOM 114 CD1 LEU A 8 7.384 3.388 -8.751 1.00 0.00 C ATOM 115 CD2 LEU A 8 5.367 2.312 -7.756 1.00 0.00 C ATOM 0 H LEU A 8 9.880 2.753 -7.528 1.00 0.00 H new ATOM 0 HA LEU A 8 8.129 2.150 -5.175 1.00 0.00 H new ATOM 0 HB2 LEU A 8 8.163 1.125 -8.067 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.986 0.661 -6.854 1.00 0.00 H new ATOM 0 HG LEU A 8 6.864 3.414 -6.656 1.00 0.00 H new ATOM 0 HD11 LEU A 8 6.800 4.279 -8.983 1.00 0.00 H new ATOM 0 HD12 LEU A 8 8.423 3.670 -8.577 1.00 0.00 H new ATOM 0 HD13 LEU A 8 7.332 2.692 -9.588 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.776 3.198 -7.985 1.00 0.00 H new ATOM 0 HD22 LEU A 8 5.329 1.622 -8.599 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.961 1.824 -6.870 1.00 0.00 H new ATOM 127 N GLU A 9 9.027 -0.238 -4.805 1.00 0.00 N ATOM 128 CA GLU A 9 9.828 -1.456 -4.504 1.00 0.00 C ATOM 129 C GLU A 9 9.112 -2.422 -3.570 1.00 0.00 C ATOM 130 O GLU A 9 8.101 -2.101 -2.973 1.00 0.00 O ATOM 131 CB GLU A 9 11.134 -1.006 -3.827 1.00 0.00 C ATOM 132 CG GLU A 9 10.843 0.190 -2.914 1.00 0.00 C ATOM 133 CD GLU A 9 11.923 0.277 -1.830 1.00 0.00 C ATOM 134 OE1 GLU A 9 12.991 0.761 -2.166 1.00 0.00 O ATOM 135 OE2 GLU A 9 11.616 -0.144 -0.727 1.00 0.00 O ATOM 0 H GLU A 9 8.183 -0.101 -4.248 1.00 0.00 H new ATOM 0 HA GLU A 9 10.004 -1.981 -5.443 1.00 0.00 H new ATOM 0 HB2 GLU A 9 11.558 -1.826 -3.248 1.00 0.00 H new ATOM 0 HB3 GLU A 9 11.873 -0.732 -4.580 1.00 0.00 H new ATOM 0 HG2 GLU A 9 10.823 1.111 -3.497 1.00 0.00 H new ATOM 0 HG3 GLU A 9 9.860 0.081 -2.456 1.00 0.00 H new ATOM 142 N VAL A 10 9.669 -3.609 -3.475 1.00 0.00 N ATOM 143 CA VAL A 10 9.077 -4.647 -2.598 1.00 0.00 C ATOM 144 C VAL A 10 9.792 -4.637 -1.246 1.00 0.00 C ATOM 145 O VAL A 10 10.953 -4.987 -1.157 1.00 0.00 O ATOM 146 CB VAL A 10 9.287 -6.021 -3.264 1.00 0.00 C ATOM 147 CG1 VAL A 10 8.628 -7.103 -2.407 1.00 0.00 C ATOM 148 CG2 VAL A 10 8.639 -6.020 -4.654 1.00 0.00 C ATOM 0 H VAL A 10 10.512 -3.895 -3.973 1.00 0.00 H new ATOM 0 HA VAL A 10 8.015 -4.452 -2.450 1.00 0.00 H new ATOM 0 HB VAL A 10 10.355 -6.220 -3.357 1.00 0.00 H new ATOM 0 HG11 VAL A 10 8.774 -8.077 -2.875 1.00 0.00 H new ATOM 0 HG12 VAL A 10 9.079 -7.106 -1.415 1.00 0.00 H new ATOM 0 HG13 VAL A 10 7.561 -6.899 -2.320 1.00 0.00 H new ATOM 0 HG21 VAL A 10 8.787 -6.992 -5.125 1.00 0.00 H new ATOM 0 HG22 VAL A 10 7.571 -5.823 -4.558 1.00 0.00 H new ATOM 0 HG23 VAL A 10 9.097 -5.245 -5.268 1.00 0.00 H new ATOM 158 N VAL A 11 9.095 -4.227 -0.221 1.00 0.00 N ATOM 159 CA VAL A 11 9.733 -4.189 1.125 1.00 0.00 C ATOM 160 C VAL A 11 9.809 -5.576 1.748 1.00 0.00 C ATOM 161 O VAL A 11 10.450 -5.764 2.762 1.00 0.00 O ATOM 162 CB VAL A 11 8.888 -3.278 2.030 1.00 0.00 C ATOM 163 CG1 VAL A 11 9.257 -3.516 3.496 1.00 0.00 C ATOM 164 CG2 VAL A 11 9.180 -1.823 1.678 1.00 0.00 C ATOM 0 H VAL A 11 8.123 -3.920 -0.256 1.00 0.00 H new ATOM 0 HA VAL A 11 10.750 -3.812 1.021 1.00 0.00 H new ATOM 0 HB VAL A 11 7.831 -3.499 1.881 1.00 0.00 H new ATOM 0 HG11 VAL A 11 8.655 -2.868 4.133 1.00 0.00 H new ATOM 0 HG12 VAL A 11 9.066 -4.557 3.755 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.313 -3.293 3.646 1.00 0.00 H new ATOM 0 HG21 VAL A 11 8.585 -1.168 2.315 1.00 0.00 H new ATOM 0 HG22 VAL A 11 10.239 -1.616 1.834 1.00 0.00 H new ATOM 0 HG23 VAL A 11 8.925 -1.643 0.634 1.00 0.00 H new ATOM 174 N ALA A 12 9.163 -6.521 1.141 1.00 0.00 N ATOM 175 CA ALA A 12 9.204 -7.890 1.705 1.00 0.00 C ATOM 176 C ALA A 12 8.204 -8.806 1.015 1.00 0.00 C ATOM 177 O ALA A 12 7.351 -8.361 0.275 1.00 0.00 O ATOM 178 CB ALA A 12 8.845 -7.807 3.198 1.00 0.00 C ATOM 0 H ALA A 12 8.614 -6.409 0.289 1.00 0.00 H new ATOM 0 HA ALA A 12 10.203 -8.299 1.556 1.00 0.00 H new ATOM 0 HB1 ALA A 12 8.869 -8.806 3.634 1.00 0.00 H new ATOM 0 HB2 ALA A 12 9.566 -7.170 3.711 1.00 0.00 H new ATOM 0 HB3 ALA A 12 7.845 -7.387 3.309 1.00 0.00 H new ATOM 184 N ALA A 13 8.337 -10.075 1.273 1.00 0.00 N ATOM 185 CA ALA A 13 7.414 -11.053 0.654 1.00 0.00 C ATOM 186 C ALA A 13 7.244 -12.254 1.572 1.00 0.00 C ATOM 187 O ALA A 13 8.158 -12.624 2.280 1.00 0.00 O ATOM 188 CB ALA A 13 8.019 -11.515 -0.681 1.00 0.00 C ATOM 0 H ALA A 13 9.047 -10.474 1.887 1.00 0.00 H new ATOM 0 HA ALA A 13 6.440 -10.591 0.490 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.352 -12.237 -1.152 1.00 0.00 H new ATOM 0 HB2 ALA A 13 8.147 -10.656 -1.339 1.00 0.00 H new ATOM 0 HB3 ALA A 13 8.988 -11.981 -0.500 1.00 0.00 H new ATOM 194 N THR A 14 6.081 -12.846 1.551 1.00 0.00 N ATOM 195 CA THR A 14 5.861 -14.017 2.422 1.00 0.00 C ATOM 196 C THR A 14 4.747 -14.905 1.855 1.00 0.00 C ATOM 197 O THR A 14 3.955 -14.463 1.046 1.00 0.00 O ATOM 198 CB THR A 14 5.443 -13.493 3.807 1.00 0.00 C ATOM 199 OG1 THR A 14 5.111 -12.133 3.598 1.00 0.00 O ATOM 200 CG2 THR A 14 6.644 -13.448 4.773 1.00 0.00 C ATOM 0 H THR A 14 5.287 -12.568 0.974 1.00 0.00 H new ATOM 0 HA THR A 14 6.772 -14.612 2.486 1.00 0.00 H new ATOM 0 HB THR A 14 4.652 -14.122 4.215 1.00 0.00 H new ATOM 0 HG1 THR A 14 4.831 -11.731 4.447 1.00 0.00 H new ATOM 0 HG21 THR A 14 6.317 -13.074 5.743 1.00 0.00 H new ATOM 0 HG22 THR A 14 7.054 -14.451 4.891 1.00 0.00 H new ATOM 0 HG23 THR A 14 7.411 -12.787 4.369 1.00 0.00 H new ATOM 208 N PRO A 15 4.700 -16.156 2.296 1.00 0.00 N ATOM 209 CA PRO A 15 3.682 -17.079 1.821 1.00 0.00 C ATOM 210 C PRO A 15 2.289 -16.472 1.948 1.00 0.00 C ATOM 211 O PRO A 15 1.799 -16.263 3.037 1.00 0.00 O ATOM 212 CB PRO A 15 3.812 -18.319 2.737 1.00 0.00 C ATOM 213 CG PRO A 15 5.040 -18.081 3.666 1.00 0.00 C ATOM 214 CD PRO A 15 5.624 -16.708 3.304 1.00 0.00 C ATOM 0 HA PRO A 15 3.818 -17.322 0.767 1.00 0.00 H new ATOM 0 HB2 PRO A 15 2.906 -18.458 3.326 1.00 0.00 H new ATOM 0 HB3 PRO A 15 3.949 -19.223 2.143 1.00 0.00 H new ATOM 0 HG2 PRO A 15 4.741 -18.108 4.714 1.00 0.00 H new ATOM 0 HG3 PRO A 15 5.785 -18.865 3.527 1.00 0.00 H new ATOM 0 HD2 PRO A 15 5.685 -16.062 4.180 1.00 0.00 H new ATOM 0 HD3 PRO A 15 6.634 -16.801 2.905 1.00 0.00 H new ATOM 222 N THR A 16 1.688 -16.195 0.818 1.00 0.00 N ATOM 223 CA THR A 16 0.321 -15.598 0.818 1.00 0.00 C ATOM 224 C THR A 16 0.336 -14.212 1.445 1.00 0.00 C ATOM 225 O THR A 16 -0.578 -13.837 2.149 1.00 0.00 O ATOM 226 CB THR A 16 -0.648 -16.500 1.619 1.00 0.00 C ATOM 227 OG1 THR A 16 -0.522 -16.093 2.964 1.00 0.00 O ATOM 228 CG2 THR A 16 -0.193 -17.975 1.610 1.00 0.00 C ATOM 0 H THR A 16 2.088 -16.358 -0.106 1.00 0.00 H new ATOM 0 HA THR A 16 -0.013 -15.518 -0.217 1.00 0.00 H new ATOM 0 HB THR A 16 -1.648 -16.417 1.194 1.00 0.00 H new ATOM 0 HG1 THR A 16 0.357 -16.361 3.306 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.899 -18.577 2.183 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.156 -18.338 0.583 1.00 0.00 H new ATOM 0 HG23 THR A 16 0.798 -18.053 2.058 1.00 0.00 H new ATOM 236 N SER A 17 1.380 -13.474 1.179 1.00 0.00 N ATOM 237 CA SER A 17 1.469 -12.110 1.751 1.00 0.00 C ATOM 238 C SER A 17 2.575 -11.316 1.075 1.00 0.00 C ATOM 239 O SER A 17 3.700 -11.767 0.977 1.00 0.00 O ATOM 240 CB SER A 17 1.777 -12.229 3.244 1.00 0.00 C ATOM 241 OG SER A 17 0.514 -12.056 3.870 1.00 0.00 O ATOM 0 H SER A 17 2.166 -13.758 0.595 1.00 0.00 H new ATOM 0 HA SER A 17 0.523 -11.592 1.592 1.00 0.00 H new ATOM 0 HB2 SER A 17 2.213 -13.198 3.486 1.00 0.00 H new ATOM 0 HB3 SER A 17 2.490 -11.470 3.566 1.00 0.00 H new ATOM 0 HG SER A 17 0.619 -12.120 4.842 1.00 0.00 H new ATOM 247 N LEU A 18 2.226 -10.142 0.617 1.00 0.00 N ATOM 248 CA LEU A 18 3.223 -9.279 -0.063 1.00 0.00 C ATOM 249 C LEU A 18 3.193 -7.874 0.522 1.00 0.00 C ATOM 250 O LEU A 18 2.148 -7.387 0.905 1.00 0.00 O ATOM 251 CB LEU A 18 2.837 -9.202 -1.556 1.00 0.00 C ATOM 252 CG LEU A 18 4.034 -9.608 -2.438 1.00 0.00 C ATOM 253 CD1 LEU A 18 3.555 -9.806 -3.881 1.00 0.00 C ATOM 254 CD2 LEU A 18 5.086 -8.495 -2.412 1.00 0.00 C ATOM 0 H LEU A 18 1.288 -9.747 0.687 1.00 0.00 H new ATOM 0 HA LEU A 18 4.222 -9.694 0.069 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.990 -9.859 -1.754 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.520 -8.189 -1.805 1.00 0.00 H new ATOM 0 HG LEU A 18 4.467 -10.534 -2.059 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.399 -10.093 -4.508 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.799 -10.590 -3.909 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.127 -8.875 -4.253 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.933 -8.781 -3.035 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.649 -7.572 -2.794 1.00 0.00 H new ATOM 0 HD23 LEU A 18 5.425 -8.339 -1.388 1.00 0.00 H new ATOM 266 N LEU A 19 4.345 -7.251 0.580 1.00 0.00 N ATOM 267 CA LEU A 19 4.416 -5.872 1.137 1.00 0.00 C ATOM 268 C LEU A 19 4.953 -4.914 0.089 1.00 0.00 C ATOM 269 O LEU A 19 6.120 -4.958 -0.248 1.00 0.00 O ATOM 270 CB LEU A 19 5.391 -5.887 2.342 1.00 0.00 C ATOM 271 CG LEU A 19 4.797 -5.137 3.564 1.00 0.00 C ATOM 272 CD1 LEU A 19 4.178 -3.798 3.135 1.00 0.00 C ATOM 273 CD2 LEU A 19 3.724 -6.005 4.240 1.00 0.00 C ATOM 0 H LEU A 19 5.234 -7.640 0.266 1.00 0.00 H new ATOM 0 HA LEU A 19 3.421 -5.548 1.442 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.613 -6.918 2.619 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.335 -5.424 2.053 1.00 0.00 H new ATOM 0 HG LEU A 19 5.605 -4.939 4.269 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.768 -3.290 4.008 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.945 -3.172 2.678 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.381 -3.980 2.414 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.312 -5.472 5.097 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.927 -6.219 3.528 1.00 0.00 H new ATOM 0 HD23 LEU A 19 4.171 -6.941 4.576 1.00 0.00 H new ATOM 285 N ILE A 20 4.089 -4.054 -0.400 1.00 0.00 N ATOM 286 CA ILE A 20 4.527 -3.077 -1.433 1.00 0.00 C ATOM 287 C ILE A 20 4.583 -1.670 -0.867 1.00 0.00 C ATOM 288 O ILE A 20 3.797 -1.306 -0.010 1.00 0.00 O ATOM 289 CB ILE A 20 3.520 -3.094 -2.582 1.00 0.00 C ATOM 290 CG1 ILE A 20 2.120 -2.817 -2.050 1.00 0.00 C ATOM 291 CG2 ILE A 20 3.537 -4.491 -3.227 1.00 0.00 C ATOM 292 CD1 ILE A 20 1.581 -1.543 -2.704 1.00 0.00 C ATOM 0 H ILE A 20 3.108 -3.991 -0.127 1.00 0.00 H new ATOM 0 HA ILE A 20 5.523 -3.359 -1.776 1.00 0.00 H new ATOM 0 HB ILE A 20 3.786 -2.329 -3.312 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.462 -3.659 -2.266 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.145 -2.702 -0.966 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.823 -4.520 -4.050 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.536 -4.705 -3.606 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.264 -5.239 -2.483 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.579 -1.337 -2.329 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.237 -0.706 -2.465 1.00 0.00 H new ATOM 0 HD13 ILE A 20 1.543 -1.677 -3.785 1.00 0.00 H new ATOM 304 N SER A 21 5.515 -0.900 -1.357 1.00 0.00 N ATOM 305 CA SER A 21 5.650 0.492 -0.867 1.00 0.00 C ATOM 306 C SER A 21 6.027 1.423 -2.011 1.00 0.00 C ATOM 307 O SER A 21 6.937 1.137 -2.767 1.00 0.00 O ATOM 308 CB SER A 21 6.771 0.519 0.178 1.00 0.00 C ATOM 309 OG SER A 21 7.645 -0.512 -0.238 1.00 0.00 O ATOM 0 H SER A 21 6.186 -1.178 -2.074 1.00 0.00 H new ATOM 0 HA SER A 21 4.703 0.823 -0.440 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.274 1.486 0.200 1.00 0.00 H new ATOM 0 HB3 SER A 21 6.387 0.337 1.182 1.00 0.00 H new ATOM 0 HG SER A 21 8.456 -0.118 -0.622 1.00 0.00 H new ATOM 315 N TRP A 22 5.314 2.519 -2.125 1.00 0.00 N ATOM 316 CA TRP A 22 5.616 3.481 -3.212 1.00 0.00 C ATOM 317 C TRP A 22 5.590 4.914 -2.681 1.00 0.00 C ATOM 318 O TRP A 22 6.005 5.149 -1.563 1.00 0.00 O ATOM 319 CB TRP A 22 4.593 3.282 -4.368 1.00 0.00 C ATOM 320 CG TRP A 22 3.237 3.930 -4.062 1.00 0.00 C ATOM 321 CD1 TRP A 22 2.822 5.041 -4.637 1.00 0.00 C ATOM 322 CD2 TRP A 22 2.309 3.434 -3.256 1.00 0.00 C ATOM 323 NE1 TRP A 22 1.581 5.217 -4.144 1.00 0.00 N ATOM 324 CE2 TRP A 22 1.179 4.237 -3.255 1.00 0.00 C ATOM 325 CE3 TRP A 22 2.323 2.282 -2.481 1.00 0.00 C ATOM 326 CZ2 TRP A 22 0.081 3.897 -2.480 1.00 0.00 C ATOM 327 CZ3 TRP A 22 1.225 1.950 -1.710 1.00 0.00 C ATOM 328 CH2 TRP A 22 0.108 2.755 -1.710 1.00 0.00 C ATOM 0 H TRP A 22 4.542 2.781 -1.512 1.00 0.00 H new ATOM 0 HA TRP A 22 6.619 3.297 -3.598 1.00 0.00 H new ATOM 0 HB2 TRP A 22 4.998 3.708 -5.286 1.00 0.00 H new ATOM 0 HB3 TRP A 22 4.452 2.216 -4.546 1.00 0.00 H new ATOM 0 HD1 TRP A 22 3.354 5.665 -5.340 1.00 0.00 H new ATOM 0 HE1 TRP A 22 0.989 6.006 -4.404 1.00 0.00 H new ATOM 0 HE3 TRP A 22 3.194 1.644 -2.481 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -0.796 4.528 -2.480 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 1.243 1.055 -1.105 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -0.748 2.491 -1.106 1.00 0.00 H new ATOM 339 N ASP A 23 5.119 5.851 -3.469 1.00 0.00 N ATOM 340 CA ASP A 23 5.091 7.266 -2.961 1.00 0.00 C ATOM 341 C ASP A 23 3.844 8.024 -3.394 1.00 0.00 C ATOM 342 O ASP A 23 3.155 7.631 -4.306 1.00 0.00 O ATOM 343 CB ASP A 23 6.328 7.996 -3.517 1.00 0.00 C ATOM 344 CG ASP A 23 6.208 9.496 -3.233 1.00 0.00 C ATOM 345 OD1 ASP A 23 6.453 9.852 -2.091 1.00 0.00 O ATOM 346 OD2 ASP A 23 5.882 10.201 -4.174 1.00 0.00 O ATOM 0 H ASP A 23 4.762 5.709 -4.414 1.00 0.00 H new ATOM 0 HA ASP A 23 5.088 7.232 -1.872 1.00 0.00 H new ATOM 0 HB2 ASP A 23 7.234 7.600 -3.058 1.00 0.00 H new ATOM 0 HB3 ASP A 23 6.413 7.824 -4.590 1.00 0.00 H new ATOM 351 N ALA A 24 3.589 9.115 -2.714 1.00 0.00 N ATOM 352 CA ALA A 24 2.403 9.936 -3.044 1.00 0.00 C ATOM 353 C ALA A 24 2.790 11.445 -3.061 1.00 0.00 C ATOM 354 O ALA A 24 3.360 11.928 -2.106 1.00 0.00 O ATOM 355 CB ALA A 24 1.363 9.718 -1.934 1.00 0.00 C ATOM 0 H ALA A 24 4.158 9.466 -1.944 1.00 0.00 H new ATOM 0 HA ALA A 24 2.013 9.652 -4.021 1.00 0.00 H new ATOM 0 HB1 ALA A 24 0.474 10.311 -2.147 1.00 0.00 H new ATOM 0 HB2 ALA A 24 1.094 8.663 -1.890 1.00 0.00 H new ATOM 0 HB3 ALA A 24 1.783 10.026 -0.976 1.00 0.00 H new ATOM 361 N PRO A 25 2.482 12.178 -4.149 1.00 0.00 N ATOM 362 CA PRO A 25 2.826 13.600 -4.208 1.00 0.00 C ATOM 363 C PRO A 25 2.173 14.388 -3.068 1.00 0.00 C ATOM 364 O PRO A 25 1.490 13.828 -2.232 1.00 0.00 O ATOM 365 CB PRO A 25 2.277 14.091 -5.565 1.00 0.00 C ATOM 366 CG PRO A 25 1.649 12.861 -6.285 1.00 0.00 C ATOM 367 CD PRO A 25 1.803 11.654 -5.354 1.00 0.00 C ATOM 0 HA PRO A 25 3.901 13.747 -4.108 1.00 0.00 H new ATOM 0 HB2 PRO A 25 1.531 14.872 -5.417 1.00 0.00 H new ATOM 0 HB3 PRO A 25 3.075 14.523 -6.169 1.00 0.00 H new ATOM 0 HG2 PRO A 25 0.597 13.042 -6.507 1.00 0.00 H new ATOM 0 HG3 PRO A 25 2.148 12.678 -7.236 1.00 0.00 H new ATOM 0 HD2 PRO A 25 0.833 11.223 -5.104 1.00 0.00 H new ATOM 0 HD3 PRO A 25 2.390 10.866 -5.825 1.00 0.00 H new ATOM 375 N ALA A 26 2.401 15.678 -3.059 1.00 0.00 N ATOM 376 CA ALA A 26 1.806 16.519 -1.987 1.00 0.00 C ATOM 377 C ALA A 26 0.492 17.146 -2.446 1.00 0.00 C ATOM 378 O ALA A 26 -0.315 17.560 -1.639 1.00 0.00 O ATOM 379 CB ALA A 26 2.799 17.645 -1.650 1.00 0.00 C ATOM 0 H ALA A 26 2.969 16.177 -3.743 1.00 0.00 H new ATOM 0 HA ALA A 26 1.606 15.894 -1.117 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.382 18.275 -0.864 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.738 17.211 -1.307 1.00 0.00 H new ATOM 0 HB3 ALA A 26 2.981 18.248 -2.540 1.00 0.00 H new ATOM 385 N VAL A 27 0.301 17.204 -3.739 1.00 0.00 N ATOM 386 CA VAL A 27 -0.955 17.800 -4.264 1.00 0.00 C ATOM 387 C VAL A 27 -2.168 17.034 -3.753 1.00 0.00 C ATOM 388 O VAL A 27 -2.054 15.907 -3.316 1.00 0.00 O ATOM 389 CB VAL A 27 -0.926 17.715 -5.800 1.00 0.00 C ATOM 390 CG1 VAL A 27 -1.815 18.808 -6.394 1.00 0.00 C ATOM 391 CG2 VAL A 27 0.505 17.922 -6.290 1.00 0.00 C ATOM 0 H VAL A 27 0.956 16.867 -4.445 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.028 18.835 -3.930 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.290 16.736 -6.112 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.792 18.745 -7.482 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.839 18.674 -6.044 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.449 19.785 -6.080 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.529 17.862 -7.378 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.860 18.902 -5.972 1.00 0.00 H new ATOM 0 HG23 VAL A 27 1.149 17.149 -5.870 1.00 0.00 H new ATOM 401 N THR A 28 -3.307 17.661 -3.815 1.00 0.00 N ATOM 402 CA THR A 28 -4.537 16.986 -3.338 1.00 0.00 C ATOM 403 C THR A 28 -4.990 15.927 -4.337 1.00 0.00 C ATOM 404 O THR A 28 -5.953 16.115 -5.054 1.00 0.00 O ATOM 405 CB THR A 28 -5.641 18.040 -3.200 1.00 0.00 C ATOM 406 OG1 THR A 28 -5.005 19.180 -2.661 1.00 0.00 O ATOM 407 CG2 THR A 28 -6.661 17.623 -2.130 1.00 0.00 C ATOM 0 H THR A 28 -3.437 18.607 -4.174 1.00 0.00 H new ATOM 0 HA THR A 28 -4.335 16.503 -2.382 1.00 0.00 H new ATOM 0 HB THR A 28 -6.134 18.188 -4.161 1.00 0.00 H new ATOM 0 HG1 THR A 28 -5.662 19.899 -2.548 1.00 0.00 H new ATOM 0 HG21 THR A 28 -7.436 18.386 -2.049 1.00 0.00 H new ATOM 0 HG22 THR A 28 -7.115 16.673 -2.411 1.00 0.00 H new ATOM 0 HG23 THR A 28 -6.157 17.514 -1.170 1.00 0.00 H new ATOM 415 N VAL A 29 -4.287 14.830 -4.367 1.00 0.00 N ATOM 416 CA VAL A 29 -4.666 13.754 -5.313 1.00 0.00 C ATOM 417 C VAL A 29 -5.973 13.106 -4.903 1.00 0.00 C ATOM 418 O VAL A 29 -6.132 12.687 -3.774 1.00 0.00 O ATOM 419 CB VAL A 29 -3.575 12.677 -5.303 1.00 0.00 C ATOM 420 CG1 VAL A 29 -3.876 11.648 -6.395 1.00 0.00 C ATOM 421 CG2 VAL A 29 -2.223 13.324 -5.580 1.00 0.00 C ATOM 0 H VAL A 29 -3.474 14.636 -3.782 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.780 14.192 -6.305 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.552 12.186 -4.330 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.103 10.879 -6.393 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.846 11.188 -6.205 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -3.893 12.143 -7.366 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.446 12.560 -5.573 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.245 13.810 -6.555 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.010 14.065 -4.810 1.00 0.00 H new ATOM 431 N ARG A 30 -6.887 13.026 -5.823 1.00 0.00 N ATOM 432 CA ARG A 30 -8.182 12.406 -5.494 1.00 0.00 C ATOM 433 C ARG A 30 -7.965 11.014 -4.942 1.00 0.00 C ATOM 434 O ARG A 30 -8.335 10.727 -3.821 1.00 0.00 O ATOM 435 CB ARG A 30 -9.021 12.306 -6.781 1.00 0.00 C ATOM 436 CG ARG A 30 -10.470 12.695 -6.479 1.00 0.00 C ATOM 437 CD ARG A 30 -11.241 12.796 -7.791 1.00 0.00 C ATOM 438 NE ARG A 30 -12.699 12.774 -7.493 1.00 0.00 N ATOM 439 CZ ARG A 30 -13.549 13.001 -8.453 1.00 0.00 C ATOM 440 NH1 ARG A 30 -13.897 14.233 -8.707 1.00 0.00 N ATOM 441 NH2 ARG A 30 -14.015 11.991 -9.130 1.00 0.00 N ATOM 0 H ARG A 30 -6.789 13.362 -6.781 1.00 0.00 H new ATOM 0 HA ARG A 30 -8.695 13.012 -4.748 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -8.610 12.963 -7.548 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -8.981 11.291 -7.176 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -10.931 11.953 -5.828 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -10.502 13.647 -5.950 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -10.977 13.715 -8.314 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -10.978 11.967 -8.448 1.00 0.00 H new ATOM 0 HE ARG A 30 -13.029 12.583 -6.547 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -13.504 14.997 -8.158 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -14.562 14.431 -9.455 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -13.713 11.043 -8.904 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -14.682 12.148 -9.886 1.00 0.00 H new ATOM 455 N TYR A 31 -7.368 10.164 -5.734 1.00 0.00 N ATOM 456 CA TYR A 31 -7.129 8.788 -5.240 1.00 0.00 C ATOM 457 C TYR A 31 -6.196 7.988 -6.148 1.00 0.00 C ATOM 458 O TYR A 31 -5.855 8.401 -7.254 1.00 0.00 O ATOM 459 CB TYR A 31 -8.476 8.057 -5.168 1.00 0.00 C ATOM 460 CG TYR A 31 -9.371 8.520 -6.319 1.00 0.00 C ATOM 461 CD1 TYR A 31 -9.050 8.204 -7.624 1.00 0.00 C ATOM 462 CD2 TYR A 31 -10.512 9.253 -6.067 1.00 0.00 C ATOM 463 CE1 TYR A 31 -9.860 8.616 -8.662 1.00 0.00 C ATOM 464 CE2 TYR A 31 -11.320 9.666 -7.104 1.00 0.00 C ATOM 465 CZ TYR A 31 -11.002 9.351 -8.409 1.00 0.00 C ATOM 466 OH TYR A 31 -11.812 9.765 -9.445 1.00 0.00 O ATOM 0 H TYR A 31 -7.043 10.361 -6.681 1.00 0.00 H new ATOM 0 HA TYR A 31 -6.653 8.867 -4.263 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -8.320 6.980 -5.225 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -8.961 8.259 -4.213 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -8.159 7.631 -7.834 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -10.774 9.505 -5.050 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -9.600 8.362 -9.679 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -12.210 10.241 -6.893 1.00 0.00 H new ATOM 0 HH TYR A 31 -12.656 9.267 -9.419 1.00 0.00 H new ATOM 476 N TYR A 32 -5.805 6.848 -5.639 1.00 0.00 N ATOM 477 CA TYR A 32 -4.896 5.944 -6.387 1.00 0.00 C ATOM 478 C TYR A 32 -5.571 4.585 -6.561 1.00 0.00 C ATOM 479 O TYR A 32 -6.269 4.147 -5.674 1.00 0.00 O ATOM 480 CB TYR A 32 -3.632 5.727 -5.531 1.00 0.00 C ATOM 481 CG TYR A 32 -2.498 6.636 -6.004 1.00 0.00 C ATOM 482 CD1 TYR A 32 -2.593 8.004 -5.865 1.00 0.00 C ATOM 483 CD2 TYR A 32 -1.338 6.096 -6.530 1.00 0.00 C ATOM 484 CE1 TYR A 32 -1.547 8.820 -6.243 1.00 0.00 C ATOM 485 CE2 TYR A 32 -0.293 6.914 -6.908 1.00 0.00 C ATOM 486 CZ TYR A 32 -0.390 8.282 -6.767 1.00 0.00 C ATOM 487 OH TYR A 32 0.657 9.101 -7.128 1.00 0.00 O ATOM 0 H TYR A 32 -6.085 6.504 -4.720 1.00 0.00 H new ATOM 0 HA TYR A 32 -4.655 6.377 -7.358 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -3.856 5.931 -4.484 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -3.319 4.685 -5.593 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -3.493 8.440 -5.457 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -1.250 5.026 -6.646 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -1.635 9.890 -6.128 1.00 0.00 H new ATOM 0 HE2 TYR A 32 0.607 6.480 -7.317 1.00 0.00 H new ATOM 0 HH TYR A 32 1.393 8.556 -7.478 1.00 0.00 H new ATOM 497 N ARG A 33 -5.350 3.937 -7.690 1.00 0.00 N ATOM 498 CA ARG A 33 -5.997 2.590 -7.899 1.00 0.00 C ATOM 499 C ARG A 33 -4.936 1.518 -8.065 1.00 0.00 C ATOM 500 O ARG A 33 -4.262 1.461 -9.070 1.00 0.00 O ATOM 501 CB ARG A 33 -6.878 2.620 -9.164 1.00 0.00 C ATOM 502 CG ARG A 33 -7.858 3.801 -9.092 1.00 0.00 C ATOM 503 CD ARG A 33 -7.871 4.519 -10.437 1.00 0.00 C ATOM 504 NE ARG A 33 -8.052 3.512 -11.518 1.00 0.00 N ATOM 505 CZ ARG A 33 -8.883 3.762 -12.488 1.00 0.00 C ATOM 506 NH1 ARG A 33 -8.724 4.851 -13.187 1.00 0.00 N ATOM 507 NH2 ARG A 33 -9.844 2.914 -12.730 1.00 0.00 N ATOM 0 H ARG A 33 -4.766 4.271 -8.457 1.00 0.00 H new ATOM 0 HA ARG A 33 -6.610 2.363 -7.027 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -6.252 2.710 -10.052 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -7.429 1.684 -9.256 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -8.858 3.445 -8.846 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -7.560 4.489 -8.301 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -8.677 5.252 -10.465 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -6.939 5.065 -10.582 1.00 0.00 H new ATOM 0 HE ARG A 33 -7.531 2.636 -11.499 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -7.959 5.489 -12.970 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -9.365 5.065 -13.951 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -9.935 2.071 -12.163 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -10.504 3.094 -13.486 1.00 0.00 H new ATOM 521 N ILE A 34 -4.820 0.673 -7.071 1.00 0.00 N ATOM 522 CA ILE A 34 -3.806 -0.411 -7.141 1.00 0.00 C ATOM 523 C ILE A 34 -4.424 -1.718 -7.621 1.00 0.00 C ATOM 524 O ILE A 34 -5.245 -2.304 -6.944 1.00 0.00 O ATOM 525 CB ILE A 34 -3.235 -0.621 -5.732 1.00 0.00 C ATOM 526 CG1 ILE A 34 -2.672 0.695 -5.203 1.00 0.00 C ATOM 527 CG2 ILE A 34 -2.084 -1.648 -5.807 1.00 0.00 C ATOM 528 CD1 ILE A 34 -3.708 1.355 -4.288 1.00 0.00 C ATOM 0 H ILE A 34 -5.383 0.690 -6.220 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.028 -0.123 -7.848 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.026 -0.977 -5.072 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.748 0.514 -4.655 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.426 1.359 -6.032 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.671 -1.805 -4.811 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.464 -2.593 -6.195 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.303 -1.272 -6.468 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.310 2.296 -3.907 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.621 1.548 -4.852 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.931 0.691 -3.453 1.00 0.00 H new ATOM 540 N THR A 35 -4.007 -2.149 -8.788 1.00 0.00 N ATOM 541 CA THR A 35 -4.547 -3.418 -9.352 1.00 0.00 C ATOM 542 C THR A 35 -3.449 -4.464 -9.417 1.00 0.00 C ATOM 543 O THR A 35 -2.313 -4.142 -9.705 1.00 0.00 O ATOM 544 CB THR A 35 -5.039 -3.157 -10.790 1.00 0.00 C ATOM 545 OG1 THR A 35 -3.879 -2.821 -11.520 1.00 0.00 O ATOM 546 CG2 THR A 35 -5.926 -1.898 -10.877 1.00 0.00 C ATOM 0 H THR A 35 -3.317 -1.675 -9.370 1.00 0.00 H new ATOM 0 HA THR A 35 -5.361 -3.770 -8.718 1.00 0.00 H new ATOM 0 HB THR A 35 -5.595 -4.026 -11.142 1.00 0.00 H new ATOM 0 HG1 THR A 35 -3.521 -1.970 -11.191 1.00 0.00 H new ATOM 0 HG21 THR A 35 -6.250 -1.752 -11.907 1.00 0.00 H new ATOM 0 HG22 THR A 35 -6.799 -2.023 -10.236 1.00 0.00 H new ATOM 0 HG23 THR A 35 -5.357 -1.028 -10.549 1.00 0.00 H new ATOM 554 N TYR A 36 -3.793 -5.703 -9.151 1.00 0.00 N ATOM 555 CA TYR A 36 -2.764 -6.745 -9.204 1.00 0.00 C ATOM 556 C TYR A 36 -3.373 -8.038 -9.678 1.00 0.00 C ATOM 557 O TYR A 36 -4.555 -8.268 -9.502 1.00 0.00 O ATOM 558 CB TYR A 36 -2.156 -6.929 -7.794 1.00 0.00 C ATOM 559 CG TYR A 36 -3.225 -7.399 -6.792 1.00 0.00 C ATOM 560 CD1 TYR A 36 -4.269 -6.566 -6.419 1.00 0.00 C ATOM 561 CD2 TYR A 36 -3.130 -8.648 -6.209 1.00 0.00 C ATOM 562 CE1 TYR A 36 -5.195 -6.981 -5.482 1.00 0.00 C ATOM 563 CE2 TYR A 36 -4.055 -9.058 -5.272 1.00 0.00 C ATOM 564 CZ TYR A 36 -5.094 -8.228 -4.901 1.00 0.00 C ATOM 565 OH TYR A 36 -6.020 -8.643 -3.964 1.00 0.00 O ATOM 0 H TYR A 36 -4.732 -6.017 -8.905 1.00 0.00 H new ATOM 0 HA TYR A 36 -1.979 -6.452 -9.901 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -1.346 -7.657 -7.835 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -1.723 -5.988 -7.455 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -4.359 -5.586 -6.864 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -2.324 -9.309 -6.490 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -6.005 -6.324 -5.202 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -3.966 -10.037 -4.825 1.00 0.00 H new ATOM 0 HH TYR A 36 -5.796 -9.548 -3.661 1.00 0.00 H new ATOM 575 N GLY A 37 -2.565 -8.848 -10.305 1.00 0.00 N ATOM 576 CA GLY A 37 -3.075 -10.148 -10.811 1.00 0.00 C ATOM 577 C GLY A 37 -2.108 -10.717 -11.849 1.00 0.00 C ATOM 578 O GLY A 37 -1.253 -10.015 -12.353 1.00 0.00 O ATOM 0 H GLY A 37 -1.578 -8.665 -10.487 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.190 -10.850 -9.985 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.061 -10.014 -11.255 1.00 0.00 H new ATOM 582 N GLU A 38 -2.262 -11.972 -12.151 1.00 0.00 N ATOM 583 CA GLU A 38 -1.362 -12.593 -13.149 1.00 0.00 C ATOM 584 C GLU A 38 -1.356 -11.787 -14.450 1.00 0.00 C ATOM 585 O GLU A 38 -2.297 -11.077 -14.746 1.00 0.00 O ATOM 586 CB GLU A 38 -1.885 -14.015 -13.439 1.00 0.00 C ATOM 587 CG GLU A 38 -0.841 -15.054 -13.008 1.00 0.00 C ATOM 588 CD GLU A 38 0.332 -15.041 -13.996 1.00 0.00 C ATOM 589 OE1 GLU A 38 1.007 -14.026 -14.026 1.00 0.00 O ATOM 590 OE2 GLU A 38 0.485 -16.049 -14.664 1.00 0.00 O ATOM 0 H GLU A 38 -2.968 -12.590 -11.752 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.345 -12.619 -12.757 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.820 -14.184 -12.905 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.101 -14.123 -14.502 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.485 -14.832 -12.002 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.292 -16.046 -12.975 1.00 0.00 H new ATOM 597 N THR A 39 -0.292 -11.911 -15.205 1.00 0.00 N ATOM 598 CA THR A 39 -0.209 -11.159 -16.488 1.00 0.00 C ATOM 599 C THR A 39 -1.090 -11.792 -17.559 1.00 0.00 C ATOM 600 O THR A 39 -1.342 -11.197 -18.589 1.00 0.00 O ATOM 601 CB THR A 39 1.248 -11.186 -16.977 1.00 0.00 C ATOM 602 OG1 THR A 39 1.914 -10.179 -16.249 1.00 0.00 O ATOM 603 CG2 THR A 39 1.344 -10.725 -18.438 1.00 0.00 C ATOM 0 H THR A 39 0.515 -12.496 -14.988 1.00 0.00 H new ATOM 0 HA THR A 39 -0.551 -10.139 -16.315 1.00 0.00 H new ATOM 0 HB THR A 39 1.651 -12.192 -16.863 1.00 0.00 H new ATOM 0 HG1 THR A 39 1.322 -9.837 -15.547 1.00 0.00 H new ATOM 0 HG21 THR A 39 2.385 -10.753 -18.761 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.751 -11.388 -19.068 1.00 0.00 H new ATOM 0 HG23 THR A 39 0.965 -9.707 -18.524 1.00 0.00 H new ATOM 611 N GLY A 40 -1.544 -12.983 -17.298 1.00 0.00 N ATOM 612 CA GLY A 40 -2.412 -13.671 -18.296 1.00 0.00 C ATOM 613 C GLY A 40 -3.758 -12.961 -18.415 1.00 0.00 C ATOM 614 O GLY A 40 -3.909 -12.031 -19.180 1.00 0.00 O ATOM 0 H GLY A 40 -1.355 -13.509 -16.445 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.917 -13.688 -19.267 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.567 -14.708 -17.998 1.00 0.00 H new ATOM 618 N GLY A 41 -4.708 -13.416 -17.653 1.00 0.00 N ATOM 619 CA GLY A 41 -6.055 -12.786 -17.702 1.00 0.00 C ATOM 620 C GLY A 41 -7.132 -13.848 -17.525 1.00 0.00 C ATOM 621 O GLY A 41 -8.305 -13.545 -17.447 1.00 0.00 O ATOM 0 H GLY A 41 -4.613 -14.194 -17.000 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -6.142 -12.033 -16.919 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -6.191 -12.273 -18.654 1.00 0.00 H new ATOM 625 N ASN A 42 -6.709 -15.074 -17.468 1.00 0.00 N ATOM 626 CA ASN A 42 -7.683 -16.167 -17.295 1.00 0.00 C ATOM 627 C ASN A 42 -8.249 -16.157 -15.880 1.00 0.00 C ATOM 628 O ASN A 42 -9.033 -17.008 -15.515 1.00 0.00 O ATOM 629 CB ASN A 42 -6.954 -17.497 -17.533 1.00 0.00 C ATOM 630 CG ASN A 42 -7.593 -18.220 -18.716 1.00 0.00 C ATOM 631 OD1 ASN A 42 -7.677 -17.694 -19.809 1.00 0.00 O ATOM 632 ND2 ASN A 42 -8.057 -19.426 -18.543 1.00 0.00 N ATOM 0 H ASN A 42 -5.733 -15.362 -17.534 1.00 0.00 H new ATOM 0 HA ASN A 42 -8.504 -16.040 -18.000 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -5.898 -17.315 -17.731 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -7.008 -18.119 -16.640 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -8.488 -19.923 -19.322 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.989 -19.872 -17.628 1.00 0.00 H new ATOM 639 N SER A 43 -7.838 -15.181 -15.110 1.00 0.00 N ATOM 640 CA SER A 43 -8.332 -15.085 -13.713 1.00 0.00 C ATOM 641 C SER A 43 -7.794 -13.819 -13.029 1.00 0.00 C ATOM 642 O SER A 43 -6.904 -13.893 -12.206 1.00 0.00 O ATOM 643 CB SER A 43 -7.809 -16.305 -12.934 1.00 0.00 C ATOM 644 OG SER A 43 -6.404 -16.276 -13.142 1.00 0.00 O ATOM 0 H SER A 43 -7.184 -14.451 -15.392 1.00 0.00 H new ATOM 0 HA SER A 43 -9.421 -15.050 -13.724 1.00 0.00 H new ATOM 0 HB2 SER A 43 -8.056 -16.237 -11.875 1.00 0.00 H new ATOM 0 HB3 SER A 43 -8.247 -17.232 -13.304 1.00 0.00 H new ATOM 0 HG SER A 43 -6.019 -15.508 -12.670 1.00 0.00 H new ATOM 650 N PRO A 44 -8.348 -12.669 -13.387 1.00 0.00 N ATOM 651 CA PRO A 44 -7.912 -11.404 -12.802 1.00 0.00 C ATOM 652 C PRO A 44 -8.167 -11.372 -11.301 1.00 0.00 C ATOM 653 O PRO A 44 -9.300 -11.388 -10.860 1.00 0.00 O ATOM 654 CB PRO A 44 -8.764 -10.324 -13.506 1.00 0.00 C ATOM 655 CG PRO A 44 -9.650 -11.051 -14.561 1.00 0.00 C ATOM 656 CD PRO A 44 -9.427 -12.562 -14.381 1.00 0.00 C ATOM 0 HA PRO A 44 -6.842 -11.250 -12.938 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -9.384 -9.792 -12.784 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -8.125 -9.582 -13.986 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -10.701 -10.798 -14.420 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -9.380 -10.740 -15.570 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -10.334 -13.057 -14.034 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -9.146 -13.035 -15.322 1.00 0.00 H new ATOM 664 N VAL A 45 -7.108 -11.327 -10.543 1.00 0.00 N ATOM 665 CA VAL A 45 -7.270 -11.294 -9.075 1.00 0.00 C ATOM 666 C VAL A 45 -8.211 -10.175 -8.657 1.00 0.00 C ATOM 667 O VAL A 45 -9.403 -10.383 -8.552 1.00 0.00 O ATOM 668 CB VAL A 45 -5.895 -11.075 -8.439 1.00 0.00 C ATOM 669 CG1 VAL A 45 -6.061 -10.757 -6.952 1.00 0.00 C ATOM 670 CG2 VAL A 45 -5.058 -12.344 -8.597 1.00 0.00 C ATOM 0 H VAL A 45 -6.145 -11.312 -10.879 1.00 0.00 H new ATOM 0 HA VAL A 45 -7.699 -12.239 -8.741 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.395 -10.242 -8.932 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.081 -10.602 -6.502 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.660 -9.854 -6.838 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.561 -11.589 -6.456 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.078 -12.192 -8.145 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -5.561 -13.175 -8.102 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.938 -12.571 -9.656 1.00 0.00 H new ATOM 680 N GLN A 46 -7.677 -9.006 -8.418 1.00 0.00 N ATOM 681 CA GLN A 46 -8.577 -7.893 -8.006 1.00 0.00 C ATOM 682 C GLN A 46 -7.820 -6.579 -7.861 1.00 0.00 C ATOM 683 O GLN A 46 -6.696 -6.450 -8.302 1.00 0.00 O ATOM 684 CB GLN A 46 -9.218 -8.257 -6.645 1.00 0.00 C ATOM 685 CG GLN A 46 -10.743 -8.244 -6.792 1.00 0.00 C ATOM 686 CD GLN A 46 -11.208 -6.816 -7.085 1.00 0.00 C ATOM 687 OE1 GLN A 46 -11.343 -6.001 -6.195 1.00 0.00 O ATOM 688 NE2 GLN A 46 -11.462 -6.472 -8.318 1.00 0.00 N ATOM 0 H GLN A 46 -6.685 -8.778 -8.488 1.00 0.00 H new ATOM 0 HA GLN A 46 -9.336 -7.761 -8.777 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -8.879 -9.241 -6.321 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -8.907 -7.545 -5.880 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -11.048 -8.911 -7.598 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -11.211 -8.612 -5.879 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -11.351 -7.152 -9.070 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -11.772 -5.523 -8.529 1.00 0.00 H new ATOM 697 N GLU A 47 -8.463 -5.621 -7.241 1.00 0.00 N ATOM 698 CA GLU A 47 -7.814 -4.306 -7.050 1.00 0.00 C ATOM 699 C GLU A 47 -8.490 -3.522 -5.925 1.00 0.00 C ATOM 700 O GLU A 47 -9.541 -3.899 -5.449 1.00 0.00 O ATOM 701 CB GLU A 47 -7.960 -3.512 -8.357 1.00 0.00 C ATOM 702 CG GLU A 47 -9.441 -3.194 -8.593 1.00 0.00 C ATOM 703 CD GLU A 47 -9.708 -1.728 -8.242 1.00 0.00 C ATOM 704 OE1 GLU A 47 -9.424 -1.384 -7.107 1.00 0.00 O ATOM 705 OE2 GLU A 47 -10.181 -1.037 -9.128 1.00 0.00 O ATOM 0 H GLU A 47 -9.407 -5.701 -6.863 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.767 -4.457 -6.788 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -7.382 -2.589 -8.302 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.562 -4.088 -9.192 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.704 -3.384 -9.634 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.066 -3.845 -7.982 1.00 0.00 H new ATOM 712 N PHE A 48 -7.870 -2.446 -5.522 1.00 0.00 N ATOM 713 CA PHE A 48 -8.458 -1.622 -4.434 1.00 0.00 C ATOM 714 C PHE A 48 -7.850 -0.228 -4.454 1.00 0.00 C ATOM 715 O PHE A 48 -6.645 -0.078 -4.510 1.00 0.00 O ATOM 716 CB PHE A 48 -8.160 -2.288 -3.075 1.00 0.00 C ATOM 717 CG PHE A 48 -6.676 -2.644 -2.980 1.00 0.00 C ATOM 718 CD1 PHE A 48 -6.201 -3.821 -3.531 1.00 0.00 C ATOM 719 CD2 PHE A 48 -5.793 -1.808 -2.319 1.00 0.00 C ATOM 720 CE1 PHE A 48 -4.865 -4.154 -3.419 1.00 0.00 C ATOM 721 CE2 PHE A 48 -4.460 -2.145 -2.212 1.00 0.00 C ATOM 722 CZ PHE A 48 -3.998 -3.316 -2.761 1.00 0.00 C ATOM 0 H PHE A 48 -6.986 -2.105 -5.899 1.00 0.00 H new ATOM 0 HA PHE A 48 -9.535 -1.546 -4.582 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -8.433 -1.614 -2.263 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -8.766 -3.187 -2.961 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -6.878 -4.483 -4.051 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -6.150 -0.886 -1.884 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -4.501 -5.075 -3.850 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -3.778 -1.486 -1.695 1.00 0.00 H new ATOM 0 HZ PHE A 48 -2.954 -3.578 -2.675 1.00 0.00 H new ATOM 732 N THR A 49 -8.697 0.772 -4.407 1.00 0.00 N ATOM 733 CA THR A 49 -8.183 2.167 -4.425 1.00 0.00 C ATOM 734 C THR A 49 -8.152 2.784 -3.037 1.00 0.00 C ATOM 735 O THR A 49 -8.742 2.271 -2.106 1.00 0.00 O ATOM 736 CB THR A 49 -9.113 3.008 -5.307 1.00 0.00 C ATOM 737 OG1 THR A 49 -9.992 3.655 -4.409 1.00 0.00 O ATOM 738 CG2 THR A 49 -10.026 2.114 -6.158 1.00 0.00 C ATOM 0 H THR A 49 -9.712 0.679 -4.357 1.00 0.00 H new ATOM 0 HA THR A 49 -7.163 2.149 -4.809 1.00 0.00 H new ATOM 0 HB THR A 49 -8.520 3.663 -5.945 1.00 0.00 H new ATOM 0 HG1 THR A 49 -10.619 4.216 -4.912 1.00 0.00 H new ATOM 0 HG21 THR A 49 -10.675 2.737 -6.773 1.00 0.00 H new ATOM 0 HG22 THR A 49 -9.417 1.479 -6.801 1.00 0.00 H new ATOM 0 HG23 THR A 49 -10.636 1.490 -5.505 1.00 0.00 H new ATOM 746 N VAL A 50 -7.460 3.888 -2.933 1.00 0.00 N ATOM 747 CA VAL A 50 -7.363 4.573 -1.627 1.00 0.00 C ATOM 748 C VAL A 50 -7.285 6.099 -1.838 1.00 0.00 C ATOM 749 O VAL A 50 -6.925 6.553 -2.905 1.00 0.00 O ATOM 750 CB VAL A 50 -6.069 4.106 -0.940 1.00 0.00 C ATOM 751 CG1 VAL A 50 -6.398 2.998 0.060 1.00 0.00 C ATOM 752 CG2 VAL A 50 -5.113 3.562 -2.000 1.00 0.00 C ATOM 0 H VAL A 50 -6.961 4.339 -3.700 1.00 0.00 H new ATOM 0 HA VAL A 50 -8.237 4.338 -1.020 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.605 4.942 -0.417 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -5.482 2.665 0.548 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -7.091 3.379 0.810 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.855 2.159 -0.464 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.192 3.228 -1.522 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.580 2.722 -2.514 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.884 4.347 -2.721 1.00 0.00 H new ATOM 762 N PRO A 51 -7.617 6.873 -0.809 1.00 0.00 N ATOM 763 CA PRO A 51 -7.571 8.335 -0.914 1.00 0.00 C ATOM 764 C PRO A 51 -6.150 8.856 -1.185 1.00 0.00 C ATOM 765 O PRO A 51 -5.885 10.029 -1.019 1.00 0.00 O ATOM 766 CB PRO A 51 -8.035 8.846 0.467 1.00 0.00 C ATOM 767 CG PRO A 51 -8.252 7.601 1.379 1.00 0.00 C ATOM 768 CD PRO A 51 -8.077 6.356 0.497 1.00 0.00 C ATOM 0 HA PRO A 51 -8.192 8.678 -1.742 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -7.289 9.513 0.900 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -8.958 9.418 0.374 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -7.534 7.595 2.199 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -9.246 7.620 1.825 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -7.350 5.667 0.927 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -9.014 5.809 0.397 1.00 0.00 H new ATOM 776 N GLY A 52 -5.263 7.984 -1.598 1.00 0.00 N ATOM 777 CA GLY A 52 -3.868 8.439 -1.875 1.00 0.00 C ATOM 778 C GLY A 52 -3.225 8.977 -0.593 1.00 0.00 C ATOM 779 O GLY A 52 -2.306 9.774 -0.641 1.00 0.00 O ATOM 0 H GLY A 52 -5.442 6.992 -1.753 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -3.278 7.610 -2.267 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.876 9.215 -2.641 1.00 0.00 H new ATOM 783 N SER A 53 -3.723 8.526 0.529 1.00 0.00 N ATOM 784 CA SER A 53 -3.160 8.994 1.821 1.00 0.00 C ATOM 785 C SER A 53 -2.109 8.021 2.347 1.00 0.00 C ATOM 786 O SER A 53 -1.118 8.427 2.919 1.00 0.00 O ATOM 787 CB SER A 53 -4.306 9.078 2.841 1.00 0.00 C ATOM 788 OG SER A 53 -4.292 10.433 3.268 1.00 0.00 O ATOM 0 H SER A 53 -4.490 7.858 0.602 1.00 0.00 H new ATOM 0 HA SER A 53 -2.688 9.965 1.671 1.00 0.00 H new ATOM 0 HB2 SER A 53 -5.262 8.812 2.389 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.147 8.395 3.676 1.00 0.00 H new ATOM 0 HG SER A 53 -5.003 10.576 3.928 1.00 0.00 H new ATOM 794 N LYS A 54 -2.344 6.752 2.143 1.00 0.00 N ATOM 795 CA LYS A 54 -1.366 5.744 2.626 1.00 0.00 C ATOM 796 C LYS A 54 -0.317 5.452 1.558 1.00 0.00 C ATOM 797 O LYS A 54 -0.632 4.950 0.497 1.00 0.00 O ATOM 798 CB LYS A 54 -2.122 4.444 2.946 1.00 0.00 C ATOM 799 CG LYS A 54 -2.958 4.646 4.214 1.00 0.00 C ATOM 800 CD LYS A 54 -3.583 3.309 4.627 1.00 0.00 C ATOM 801 CE LYS A 54 -4.732 3.574 5.605 1.00 0.00 C ATOM 802 NZ LYS A 54 -6.013 3.773 4.866 1.00 0.00 N ATOM 0 H LYS A 54 -3.164 6.376 1.667 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.865 6.133 3.512 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -2.767 4.169 2.111 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.417 3.625 3.088 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -2.332 5.032 5.019 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.738 5.385 4.035 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -3.951 2.779 3.749 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.832 2.671 5.093 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.830 2.736 6.295 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.510 4.457 6.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -6.781 3.951 5.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -5.921 4.587 4.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.231 2.920 4.313 1.00 0.00 H new ATOM 816 N SER A 55 0.913 5.772 1.856 1.00 0.00 N ATOM 817 CA SER A 55 1.994 5.521 0.869 1.00 0.00 C ATOM 818 C SER A 55 2.475 4.072 0.934 1.00 0.00 C ATOM 819 O SER A 55 3.415 3.698 0.258 1.00 0.00 O ATOM 820 CB SER A 55 3.170 6.452 1.196 1.00 0.00 C ATOM 821 OG SER A 55 3.344 7.217 0.013 1.00 0.00 O ATOM 0 H SER A 55 1.212 6.194 2.735 1.00 0.00 H new ATOM 0 HA SER A 55 1.609 5.709 -0.133 1.00 0.00 H new ATOM 0 HB2 SER A 55 2.949 7.088 2.053 1.00 0.00 H new ATOM 0 HB3 SER A 55 4.069 5.887 1.442 1.00 0.00 H new ATOM 0 HG SER A 55 4.084 7.847 0.137 1.00 0.00 H new ATOM 827 N THR A 56 1.821 3.286 1.752 1.00 0.00 N ATOM 828 CA THR A 56 2.219 1.858 1.880 1.00 0.00 C ATOM 829 C THR A 56 0.989 0.965 1.925 1.00 0.00 C ATOM 830 O THR A 56 -0.095 1.421 2.229 1.00 0.00 O ATOM 831 CB THR A 56 2.997 1.687 3.186 1.00 0.00 C ATOM 832 OG1 THR A 56 3.069 2.981 3.747 1.00 0.00 O ATOM 833 CG2 THR A 56 4.458 1.299 2.907 1.00 0.00 C ATOM 0 H THR A 56 1.033 3.573 2.333 1.00 0.00 H new ATOM 0 HA THR A 56 2.830 1.577 1.022 1.00 0.00 H new ATOM 0 HB THR A 56 2.517 0.931 3.808 1.00 0.00 H new ATOM 0 HG1 THR A 56 3.558 2.943 4.595 1.00 0.00 H new ATOM 0 HG21 THR A 56 4.990 1.183 3.851 1.00 0.00 H new ATOM 0 HG22 THR A 56 4.486 0.358 2.357 1.00 0.00 H new ATOM 0 HG23 THR A 56 4.935 2.080 2.315 1.00 0.00 H new ATOM 841 N ALA A 57 1.170 -0.290 1.622 1.00 0.00 N ATOM 842 CA ALA A 57 0.009 -1.207 1.649 1.00 0.00 C ATOM 843 C ALA A 57 0.451 -2.665 1.648 1.00 0.00 C ATOM 844 O ALA A 57 1.591 -2.974 1.344 1.00 0.00 O ATOM 845 CB ALA A 57 -0.836 -0.951 0.394 1.00 0.00 C ATOM 0 H ALA A 57 2.061 -0.712 1.361 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.561 -1.022 2.559 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -1.698 -1.618 0.394 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.177 0.084 0.390 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.233 -1.137 -0.495 1.00 0.00 H new ATOM 851 N THR A 58 -0.467 -3.534 1.990 1.00 0.00 N ATOM 852 CA THR A 58 -0.144 -4.983 2.025 1.00 0.00 C ATOM 853 C THR A 58 -1.240 -5.790 1.341 1.00 0.00 C ATOM 854 O THR A 58 -2.399 -5.428 1.388 1.00 0.00 O ATOM 855 CB THR A 58 -0.057 -5.418 3.493 1.00 0.00 C ATOM 856 OG1 THR A 58 1.146 -4.856 3.978 1.00 0.00 O ATOM 857 CG2 THR A 58 0.150 -6.939 3.603 1.00 0.00 C ATOM 0 H THR A 58 -1.426 -3.297 2.246 1.00 0.00 H new ATOM 0 HA THR A 58 0.799 -5.157 1.506 1.00 0.00 H new ATOM 0 HB THR A 58 -0.962 -5.119 4.022 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.186 -4.959 4.952 1.00 0.00 H new ATOM 0 HG21 THR A 58 0.209 -7.223 4.654 1.00 0.00 H new ATOM 0 HG22 THR A 58 -0.688 -7.455 3.134 1.00 0.00 H new ATOM 0 HG23 THR A 58 1.076 -7.218 3.100 1.00 0.00 H new ATOM 865 N ILE A 59 -0.850 -6.867 0.713 1.00 0.00 N ATOM 866 CA ILE A 59 -1.848 -7.718 0.015 1.00 0.00 C ATOM 867 C ILE A 59 -1.556 -9.190 0.280 1.00 0.00 C ATOM 868 O ILE A 59 -0.452 -9.551 0.614 1.00 0.00 O ATOM 869 CB ILE A 59 -1.750 -7.457 -1.496 1.00 0.00 C ATOM 870 CG1 ILE A 59 -1.099 -6.105 -1.754 1.00 0.00 C ATOM 871 CG2 ILE A 59 -3.175 -7.439 -2.092 1.00 0.00 C ATOM 872 CD1 ILE A 59 -1.113 -5.824 -3.256 1.00 0.00 C ATOM 0 H ILE A 59 0.115 -7.191 0.655 1.00 0.00 H new ATOM 0 HA ILE A 59 -2.846 -7.478 0.381 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.149 -8.242 -1.956 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -1.635 -5.321 -1.219 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.075 -6.103 -1.380 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -3.118 -7.254 -3.165 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -3.656 -8.401 -1.914 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.758 -6.649 -1.618 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.648 -4.857 -3.450 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.558 -6.604 -3.777 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -2.142 -5.810 -3.614 1.00 0.00 H new ATOM 884 N SER A 60 -2.550 -10.011 0.124 1.00 0.00 N ATOM 885 CA SER A 60 -2.338 -11.459 0.364 1.00 0.00 C ATOM 886 C SER A 60 -3.254 -12.289 -0.521 1.00 0.00 C ATOM 887 O SER A 60 -4.091 -11.757 -1.222 1.00 0.00 O ATOM 888 CB SER A 60 -2.667 -11.761 1.837 1.00 0.00 C ATOM 889 OG SER A 60 -1.601 -11.163 2.557 1.00 0.00 O ATOM 0 H SER A 60 -3.494 -9.745 -0.157 1.00 0.00 H new ATOM 0 HA SER A 60 -1.303 -11.712 0.134 1.00 0.00 H new ATOM 0 HB2 SER A 60 -3.630 -11.339 2.125 1.00 0.00 H new ATOM 0 HB3 SER A 60 -2.721 -12.834 2.022 1.00 0.00 H new ATOM 0 HG SER A 60 -0.990 -11.860 2.875 1.00 0.00 H new ATOM 895 N GLY A 61 -3.077 -13.580 -0.478 1.00 0.00 N ATOM 896 CA GLY A 61 -3.935 -14.463 -1.316 1.00 0.00 C ATOM 897 C GLY A 61 -3.236 -14.806 -2.637 1.00 0.00 C ATOM 898 O GLY A 61 -3.852 -15.320 -3.549 1.00 0.00 O ATOM 0 H GLY A 61 -2.382 -14.058 0.095 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.163 -15.379 -0.771 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.885 -13.968 -1.520 1.00 0.00 H new ATOM 902 N LEU A 62 -1.963 -14.516 -2.713 1.00 0.00 N ATOM 903 CA LEU A 62 -1.216 -14.821 -3.963 1.00 0.00 C ATOM 904 C LEU A 62 -0.516 -16.175 -3.855 1.00 0.00 C ATOM 905 O LEU A 62 -0.893 -17.005 -3.052 1.00 0.00 O ATOM 906 CB LEU A 62 -0.160 -13.724 -4.177 1.00 0.00 C ATOM 907 CG LEU A 62 0.747 -13.649 -2.953 1.00 0.00 C ATOM 908 CD1 LEU A 62 2.185 -13.978 -3.366 1.00 0.00 C ATOM 909 CD2 LEU A 62 0.698 -12.234 -2.382 1.00 0.00 C ATOM 0 H LEU A 62 -1.415 -14.085 -1.969 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.913 -14.856 -4.800 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.430 -13.940 -5.068 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.646 -12.763 -4.342 1.00 0.00 H new ATOM 0 HG LEU A 62 0.411 -14.363 -2.201 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.835 -13.925 -2.493 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.222 -14.983 -3.786 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.522 -13.260 -4.114 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.344 -12.172 -1.506 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.040 -11.525 -3.136 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.326 -11.993 -2.095 1.00 0.00 H new ATOM 921 N LYS A 63 0.493 -16.375 -4.665 1.00 0.00 N ATOM 922 CA LYS A 63 1.220 -17.669 -4.614 1.00 0.00 C ATOM 923 C LYS A 63 2.716 -17.475 -5.018 1.00 0.00 C ATOM 924 O LYS A 63 2.988 -17.008 -6.106 1.00 0.00 O ATOM 925 CB LYS A 63 0.562 -18.614 -5.635 1.00 0.00 C ATOM 926 CG LYS A 63 1.065 -20.042 -5.394 1.00 0.00 C ATOM 927 CD LYS A 63 0.358 -21.008 -6.365 1.00 0.00 C ATOM 928 CE LYS A 63 -1.122 -21.169 -5.972 1.00 0.00 C ATOM 929 NZ LYS A 63 -2.003 -20.536 -6.996 1.00 0.00 N ATOM 0 H LYS A 63 0.838 -15.703 -5.351 1.00 0.00 H new ATOM 0 HA LYS A 63 1.177 -18.072 -3.602 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.523 -18.576 -5.538 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.802 -18.297 -6.650 1.00 0.00 H new ATOM 0 HG2 LYS A 63 2.144 -20.088 -5.540 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.870 -20.338 -4.363 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.432 -20.629 -7.384 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.854 -21.979 -6.349 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.367 -22.227 -5.876 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -1.298 -20.712 -4.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.998 -20.652 -6.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -1.780 -19.523 -7.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.846 -20.991 -7.918 1.00 0.00 H new ATOM 943 N PRO A 64 3.680 -17.843 -4.136 1.00 0.00 N ATOM 944 CA PRO A 64 5.098 -17.680 -4.472 1.00 0.00 C ATOM 945 C PRO A 64 5.478 -18.511 -5.693 1.00 0.00 C ATOM 946 O PRO A 64 4.979 -19.602 -5.884 1.00 0.00 O ATOM 947 CB PRO A 64 5.870 -18.200 -3.238 1.00 0.00 C ATOM 948 CG PRO A 64 4.817 -18.685 -2.198 1.00 0.00 C ATOM 949 CD PRO A 64 3.425 -18.427 -2.799 1.00 0.00 C ATOM 0 HA PRO A 64 5.327 -16.641 -4.709 1.00 0.00 H new ATOM 0 HB2 PRO A 64 6.536 -19.016 -3.518 1.00 0.00 H new ATOM 0 HB3 PRO A 64 6.492 -17.412 -2.815 1.00 0.00 H new ATOM 0 HG2 PRO A 64 4.951 -19.745 -1.981 1.00 0.00 H new ATOM 0 HG3 PRO A 64 4.933 -18.150 -1.256 1.00 0.00 H new ATOM 0 HD2 PRO A 64 2.852 -19.351 -2.876 1.00 0.00 H new ATOM 0 HD3 PRO A 64 2.847 -17.745 -2.175 1.00 0.00 H new ATOM 957 N GLY A 65 6.360 -17.981 -6.497 1.00 0.00 N ATOM 958 CA GLY A 65 6.786 -18.730 -7.713 1.00 0.00 C ATOM 959 C GLY A 65 5.811 -18.490 -8.867 1.00 0.00 C ATOM 960 O GLY A 65 5.333 -19.424 -9.482 1.00 0.00 O ATOM 0 H GLY A 65 6.800 -17.070 -6.366 1.00 0.00 H new ATOM 0 HA2 GLY A 65 7.788 -18.417 -8.006 1.00 0.00 H new ATOM 0 HA3 GLY A 65 6.838 -19.796 -7.490 1.00 0.00 H new ATOM 964 N VAL A 66 5.529 -17.244 -9.136 1.00 0.00 N ATOM 965 CA VAL A 66 4.593 -16.943 -10.242 1.00 0.00 C ATOM 966 C VAL A 66 4.662 -15.473 -10.646 1.00 0.00 C ATOM 967 O VAL A 66 4.762 -14.591 -9.811 1.00 0.00 O ATOM 968 CB VAL A 66 3.163 -17.270 -9.784 1.00 0.00 C ATOM 969 CG1 VAL A 66 2.677 -16.195 -8.812 1.00 0.00 C ATOM 970 CG2 VAL A 66 2.243 -17.298 -11.007 1.00 0.00 C ATOM 0 H VAL A 66 5.904 -16.434 -8.641 1.00 0.00 H new ATOM 0 HA VAL A 66 4.872 -17.548 -11.105 1.00 0.00 H new ATOM 0 HB VAL A 66 3.151 -18.239 -9.286 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.663 -16.429 -8.488 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.336 -16.164 -7.945 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.685 -15.225 -9.309 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.226 -17.529 -10.692 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.259 -16.324 -11.496 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.589 -18.060 -11.705 1.00 0.00 H new ATOM 980 N ASP A 67 4.620 -15.249 -11.930 1.00 0.00 N ATOM 981 CA ASP A 67 4.677 -13.863 -12.448 1.00 0.00 C ATOM 982 C ASP A 67 3.456 -13.068 -12.009 1.00 0.00 C ATOM 983 O ASP A 67 2.340 -13.539 -12.109 1.00 0.00 O ATOM 984 CB ASP A 67 4.695 -13.927 -13.982 1.00 0.00 C ATOM 985 CG ASP A 67 5.890 -13.128 -14.505 1.00 0.00 C ATOM 986 OD1 ASP A 67 6.994 -13.508 -14.149 1.00 0.00 O ATOM 987 OD2 ASP A 67 5.633 -12.183 -15.232 1.00 0.00 O ATOM 0 H ASP A 67 4.548 -15.974 -12.643 1.00 0.00 H new ATOM 0 HA ASP A 67 5.570 -13.373 -12.060 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.762 -14.963 -14.314 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.767 -13.522 -14.386 1.00 0.00 H new ATOM 992 N TYR A 68 3.693 -11.875 -11.529 1.00 0.00 N ATOM 993 CA TYR A 68 2.575 -11.022 -11.074 1.00 0.00 C ATOM 994 C TYR A 68 2.714 -9.620 -11.654 1.00 0.00 C ATOM 995 O TYR A 68 3.765 -9.013 -11.560 1.00 0.00 O ATOM 996 CB TYR A 68 2.652 -10.928 -9.549 1.00 0.00 C ATOM 997 CG TYR A 68 1.581 -11.825 -8.921 1.00 0.00 C ATOM 998 CD1 TYR A 68 0.242 -11.510 -9.042 1.00 0.00 C ATOM 999 CD2 TYR A 68 1.940 -12.956 -8.217 1.00 0.00 C ATOM 1000 CE1 TYR A 68 -0.722 -12.314 -8.466 1.00 0.00 C ATOM 1001 CE2 TYR A 68 0.977 -13.760 -7.642 1.00 0.00 C ATOM 1002 CZ TYR A 68 -0.363 -13.445 -7.761 1.00 0.00 C ATOM 1003 OH TYR A 68 -1.330 -14.244 -7.177 1.00 0.00 O ATOM 0 H TYR A 68 4.620 -11.460 -11.435 1.00 0.00 H new ATOM 0 HA TYR A 68 1.627 -11.449 -11.400 1.00 0.00 H new ATOM 0 HB2 TYR A 68 3.641 -11.232 -9.206 1.00 0.00 H new ATOM 0 HB3 TYR A 68 2.507 -9.895 -9.231 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -0.054 -10.628 -9.591 1.00 0.00 H new ATOM 0 HD2 TYR A 68 2.984 -13.214 -8.115 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -1.766 -12.056 -8.568 1.00 0.00 H new ATOM 0 HE2 TYR A 68 1.273 -14.643 -7.095 1.00 0.00 H new ATOM 0 HH TYR A 68 -0.900 -14.998 -6.722 1.00 0.00 H new ATOM 1013 N THR A 69 1.651 -9.132 -12.240 1.00 0.00 N ATOM 1014 CA THR A 69 1.696 -7.770 -12.834 1.00 0.00 C ATOM 1015 C THR A 69 0.904 -6.784 -11.991 1.00 0.00 C ATOM 1016 O THR A 69 -0.241 -7.036 -11.652 1.00 0.00 O ATOM 1017 CB THR A 69 1.063 -7.835 -14.226 1.00 0.00 C ATOM 1018 OG1 THR A 69 0.796 -9.204 -14.448 1.00 0.00 O ATOM 1019 CG2 THR A 69 2.084 -7.455 -15.309 1.00 0.00 C ATOM 0 H THR A 69 0.759 -9.618 -12.331 1.00 0.00 H new ATOM 0 HA THR A 69 2.733 -7.437 -12.882 1.00 0.00 H new ATOM 0 HB THR A 69 0.198 -7.174 -14.272 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.154 -9.382 -14.288 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.611 -7.508 -16.290 1.00 0.00 H new ATOM 0 HG22 THR A 69 2.440 -6.440 -15.133 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.926 -8.146 -15.274 1.00 0.00 H new ATOM 1027 N ILE A 70 1.536 -5.679 -11.659 1.00 0.00 N ATOM 1028 CA ILE A 70 0.845 -4.646 -10.834 1.00 0.00 C ATOM 1029 C ILE A 70 0.765 -3.327 -11.592 1.00 0.00 C ATOM 1030 O ILE A 70 1.663 -2.977 -12.329 1.00 0.00 O ATOM 1031 CB ILE A 70 1.655 -4.423 -9.550 1.00 0.00 C ATOM 1032 CG1 ILE A 70 0.902 -3.475 -8.610 1.00 0.00 C ATOM 1033 CG2 ILE A 70 2.997 -3.782 -9.931 1.00 0.00 C ATOM 1034 CD1 ILE A 70 1.811 -3.089 -7.444 1.00 0.00 C ATOM 0 H ILE A 70 2.495 -5.454 -11.924 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.164 -4.989 -10.604 1.00 0.00 H new ATOM 0 HB ILE A 70 1.810 -5.376 -9.045 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.587 -2.583 -9.151 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -0.002 -3.957 -8.237 1.00 0.00 H new ATOM 0 HG21 ILE A 70 3.589 -3.615 -9.031 1.00 0.00 H new ATOM 0 HG22 ILE A 70 3.539 -4.446 -10.604 1.00 0.00 H new ATOM 0 HG23 ILE A 70 2.817 -2.829 -10.429 1.00 0.00 H new ATOM 0 HD11 ILE A 70 1.277 -2.415 -6.774 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.104 -3.986 -6.898 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.702 -2.590 -7.827 1.00 0.00 H new ATOM 1046 N THR A 71 -0.315 -2.621 -11.390 1.00 0.00 N ATOM 1047 CA THR A 71 -0.481 -1.322 -12.084 1.00 0.00 C ATOM 1048 C THR A 71 -1.153 -0.313 -11.171 1.00 0.00 C ATOM 1049 O THR A 71 -2.219 -0.570 -10.645 1.00 0.00 O ATOM 1050 CB THR A 71 -1.365 -1.540 -13.313 1.00 0.00 C ATOM 1051 OG1 THR A 71 -0.647 -2.428 -14.138 1.00 0.00 O ATOM 1052 CG2 THR A 71 -1.484 -0.250 -14.139 1.00 0.00 C ATOM 0 H THR A 71 -1.084 -2.890 -10.776 1.00 0.00 H new ATOM 0 HA THR A 71 0.499 -0.940 -12.371 1.00 0.00 H new ATOM 0 HB THR A 71 -2.351 -1.883 -13.001 1.00 0.00 H new ATOM 0 HG1 THR A 71 -1.165 -2.611 -14.950 1.00 0.00 H new ATOM 0 HG21 THR A 71 -2.117 -0.431 -15.007 1.00 0.00 H new ATOM 0 HG22 THR A 71 -1.925 0.536 -13.525 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.494 0.062 -14.471 1.00 0.00 H new ATOM 1060 N VAL A 72 -0.510 0.823 -10.997 1.00 0.00 N ATOM 1061 CA VAL A 72 -1.097 1.876 -10.114 1.00 0.00 C ATOM 1062 C VAL A 72 -1.400 3.148 -10.905 1.00 0.00 C ATOM 1063 O VAL A 72 -0.614 3.577 -11.738 1.00 0.00 O ATOM 1064 CB VAL A 72 -0.086 2.201 -8.986 1.00 0.00 C ATOM 1065 CG1 VAL A 72 0.220 0.921 -8.203 1.00 0.00 C ATOM 1066 CG2 VAL A 72 1.204 2.734 -9.599 1.00 0.00 C ATOM 0 H VAL A 72 0.385 1.060 -11.425 1.00 0.00 H new ATOM 0 HA VAL A 72 -2.032 1.504 -9.694 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.510 2.951 -8.319 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.931 1.143 -7.407 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -0.701 0.531 -7.769 1.00 0.00 H new ATOM 0 HG13 VAL A 72 0.648 0.177 -8.875 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.916 2.963 -8.806 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.630 1.981 -10.263 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.990 3.639 -10.167 1.00 0.00 H new ATOM 1076 N TYR A 73 -2.552 3.713 -10.635 1.00 0.00 N ATOM 1077 CA TYR A 73 -2.961 4.961 -11.344 1.00 0.00 C ATOM 1078 C TYR A 73 -2.944 6.146 -10.385 1.00 0.00 C ATOM 1079 O TYR A 73 -3.282 6.003 -9.226 1.00 0.00 O ATOM 1080 CB TYR A 73 -4.408 4.789 -11.819 1.00 0.00 C ATOM 1081 CG TYR A 73 -4.458 4.272 -13.260 1.00 0.00 C ATOM 1082 CD1 TYR A 73 -4.044 2.989 -13.566 1.00 0.00 C ATOM 1083 CD2 TYR A 73 -4.977 5.064 -14.267 1.00 0.00 C ATOM 1084 CE1 TYR A 73 -4.149 2.510 -14.859 1.00 0.00 C ATOM 1085 CE2 TYR A 73 -5.080 4.584 -15.553 1.00 0.00 C ATOM 1086 CZ TYR A 73 -4.669 3.305 -15.860 1.00 0.00 C ATOM 1087 OH TYR A 73 -4.774 2.827 -17.149 1.00 0.00 O ATOM 0 H TYR A 73 -3.225 3.362 -9.954 1.00 0.00 H new ATOM 0 HA TYR A 73 -2.274 5.139 -12.172 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.929 4.093 -11.162 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -4.931 5.743 -11.753 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -3.636 2.357 -12.791 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -5.305 6.068 -14.043 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -3.822 1.506 -15.087 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -5.487 5.216 -16.329 1.00 0.00 H new ATOM 0 HH TYR A 73 -5.162 3.519 -17.724 1.00 0.00 H new ATOM 1097 N ALA A 74 -2.556 7.291 -10.889 1.00 0.00 N ATOM 1098 CA ALA A 74 -2.509 8.508 -10.028 1.00 0.00 C ATOM 1099 C ALA A 74 -3.422 9.574 -10.603 1.00 0.00 C ATOM 1100 O ALA A 74 -2.999 10.367 -11.420 1.00 0.00 O ATOM 1101 CB ALA A 74 -1.068 9.045 -10.014 1.00 0.00 C ATOM 0 H ALA A 74 -2.271 7.434 -11.858 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.833 8.256 -9.018 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.018 9.936 -9.388 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -0.399 8.282 -9.614 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -0.764 9.298 -11.030 1.00 0.00 H new ATOM 1107 N VAL A 75 -4.667 9.585 -10.165 1.00 0.00 N ATOM 1108 CA VAL A 75 -5.614 10.609 -10.696 1.00 0.00 C ATOM 1109 C VAL A 75 -5.833 11.736 -9.698 1.00 0.00 C ATOM 1110 O VAL A 75 -6.345 11.521 -8.611 1.00 0.00 O ATOM 1111 CB VAL A 75 -6.960 9.930 -10.986 1.00 0.00 C ATOM 1112 CG1 VAL A 75 -7.865 10.920 -11.729 1.00 0.00 C ATOM 1113 CG2 VAL A 75 -6.721 8.700 -11.870 1.00 0.00 C ATOM 0 H VAL A 75 -5.055 8.940 -9.477 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.188 11.036 -11.604 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.433 9.624 -10.053 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.824 10.448 -11.940 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -8.024 11.803 -11.110 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.391 11.214 -12.666 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.673 8.212 -12.080 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -6.257 9.010 -12.807 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -6.063 8.002 -11.352 1.00 0.00 H new ATOM 1123 N THR A 76 -5.442 12.925 -10.101 1.00 0.00 N ATOM 1124 CA THR A 76 -5.600 14.108 -9.215 1.00 0.00 C ATOM 1125 C THR A 76 -6.544 15.120 -9.818 1.00 0.00 C ATOM 1126 O THR A 76 -7.381 15.685 -9.143 1.00 0.00 O ATOM 1127 CB THR A 76 -4.225 14.759 -9.054 1.00 0.00 C ATOM 1128 OG1 THR A 76 -4.379 15.721 -8.035 1.00 0.00 O ATOM 1129 CG2 THR A 76 -3.827 15.576 -10.301 1.00 0.00 C ATOM 0 H THR A 76 -5.020 13.119 -11.009 1.00 0.00 H new ATOM 0 HA THR A 76 -6.008 13.785 -8.257 1.00 0.00 H new ATOM 0 HB THR A 76 -3.484 13.982 -8.866 1.00 0.00 H new ATOM 0 HG1 THR A 76 -3.524 16.176 -7.883 1.00 0.00 H new ATOM 0 HG21 THR A 76 -2.844 16.022 -10.146 1.00 0.00 H new ATOM 0 HG22 THR A 76 -3.794 14.920 -11.171 1.00 0.00 H new ATOM 0 HG23 THR A 76 -4.561 16.365 -10.469 1.00 0.00 H new ATOM 1137 N GLY A 77 -6.385 15.328 -11.071 1.00 0.00 N ATOM 1138 CA GLY A 77 -7.261 16.308 -11.773 1.00 0.00 C ATOM 1139 C GLY A 77 -8.721 15.851 -11.742 1.00 0.00 C ATOM 1140 O GLY A 77 -9.032 14.783 -11.253 1.00 0.00 O ATOM 0 H GLY A 77 -5.688 14.868 -11.656 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -7.171 17.286 -11.301 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -6.933 16.421 -12.806 1.00 0.00 H new ATOM 1144 N ARG A 78 -9.588 16.677 -12.267 1.00 0.00 N ATOM 1145 CA ARG A 78 -11.028 16.316 -12.281 1.00 0.00 C ATOM 1146 C ARG A 78 -11.383 15.549 -13.540 1.00 0.00 C ATOM 1147 O ARG A 78 -11.988 14.496 -13.485 1.00 0.00 O ATOM 1148 CB ARG A 78 -11.850 17.612 -12.252 1.00 0.00 C ATOM 1149 CG ARG A 78 -11.518 18.390 -10.980 1.00 0.00 C ATOM 1150 CD ARG A 78 -12.108 19.797 -11.089 1.00 0.00 C ATOM 1151 NE ARG A 78 -13.570 19.687 -11.365 1.00 0.00 N ATOM 1152 CZ ARG A 78 -14.422 20.090 -10.465 1.00 0.00 C ATOM 1153 NH1 ARG A 78 -14.774 21.347 -10.444 1.00 0.00 N ATOM 1154 NH2 ARG A 78 -14.902 19.220 -9.620 1.00 0.00 N ATOM 0 H ARG A 78 -9.359 17.580 -12.683 1.00 0.00 H new ATOM 0 HA ARG A 78 -11.244 15.689 -11.416 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -11.628 18.217 -13.131 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -12.915 17.382 -12.284 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -11.925 17.878 -10.108 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -10.438 18.444 -10.843 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -11.939 20.349 -10.165 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -11.614 20.352 -11.887 1.00 0.00 H new ATOM 0 HE ARG A 78 -13.899 19.300 -12.249 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -14.383 21.997 -11.126 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -15.440 21.679 -9.746 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -14.609 18.244 -9.671 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -15.570 19.515 -8.908 1.00 0.00 H new ATOM 1168 N GLY A 79 -11.002 16.096 -14.649 1.00 0.00 N ATOM 1169 CA GLY A 79 -11.299 15.428 -15.948 1.00 0.00 C ATOM 1170 C GLY A 79 -10.061 14.698 -16.462 1.00 0.00 C ATOM 1171 O GLY A 79 -9.674 13.676 -15.933 1.00 0.00 O ATOM 0 H GLY A 79 -10.496 16.979 -14.720 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -12.120 14.722 -15.823 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -11.624 16.168 -16.680 1.00 0.00 H new ATOM 1175 N ASP A 80 -9.468 15.238 -17.484 1.00 0.00 N ATOM 1176 CA ASP A 80 -8.259 14.596 -18.048 1.00 0.00 C ATOM 1177 C ASP A 80 -7.503 15.564 -18.945 1.00 0.00 C ATOM 1178 O ASP A 80 -6.417 15.273 -19.403 1.00 0.00 O ATOM 1179 CB ASP A 80 -8.703 13.388 -18.888 1.00 0.00 C ATOM 1180 CG ASP A 80 -8.329 12.097 -18.157 1.00 0.00 C ATOM 1181 OD1 ASP A 80 -7.141 11.830 -18.108 1.00 0.00 O ATOM 1182 OD2 ASP A 80 -9.254 11.453 -17.691 1.00 0.00 O ATOM 0 H ASP A 80 -9.768 16.094 -17.951 1.00 0.00 H new ATOM 0 HA ASP A 80 -7.603 14.290 -17.233 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -9.779 13.425 -19.057 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -8.225 13.416 -19.867 1.00 0.00 H new ATOM 1187 N SER A 81 -8.094 16.702 -19.180 1.00 0.00 N ATOM 1188 CA SER A 81 -7.432 17.696 -20.040 1.00 0.00 C ATOM 1189 C SER A 81 -6.450 18.604 -19.263 1.00 0.00 C ATOM 1190 O SER A 81 -5.368 18.881 -19.740 1.00 0.00 O ATOM 1191 CB SER A 81 -8.519 18.568 -20.686 1.00 0.00 C ATOM 1192 OG SER A 81 -9.738 18.027 -20.192 1.00 0.00 O ATOM 0 H SER A 81 -9.004 16.978 -18.811 1.00 0.00 H new ATOM 0 HA SER A 81 -6.846 17.159 -20.786 1.00 0.00 H new ATOM 0 HB2 SER A 81 -8.407 19.616 -20.408 1.00 0.00 H new ATOM 0 HB3 SER A 81 -8.474 18.520 -21.774 1.00 0.00 H new ATOM 0 HG SER A 81 -10.493 18.533 -20.559 1.00 0.00 H new ATOM 1198 N PRO A 82 -6.841 19.061 -18.075 1.00 0.00 N ATOM 1199 CA PRO A 82 -5.971 19.927 -17.282 1.00 0.00 C ATOM 1200 C PRO A 82 -4.718 19.197 -16.796 1.00 0.00 C ATOM 1201 O PRO A 82 -3.649 19.382 -17.344 1.00 0.00 O ATOM 1202 CB PRO A 82 -6.842 20.380 -16.081 1.00 0.00 C ATOM 1203 CG PRO A 82 -8.244 19.719 -16.258 1.00 0.00 C ATOM 1204 CD PRO A 82 -8.151 18.769 -17.466 1.00 0.00 C ATOM 0 HA PRO A 82 -5.607 20.766 -17.875 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -6.388 20.074 -15.138 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -6.928 21.466 -16.056 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -8.527 19.171 -15.359 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -9.009 20.478 -16.423 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -8.219 17.726 -17.155 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -8.963 18.945 -18.171 1.00 0.00 H new ATOM 1212 N ALA A 83 -4.875 18.384 -15.789 1.00 0.00 N ATOM 1213 CA ALA A 83 -3.701 17.632 -15.251 1.00 0.00 C ATOM 1214 C ALA A 83 -3.999 16.144 -15.113 1.00 0.00 C ATOM 1215 O ALA A 83 -4.775 15.737 -14.270 1.00 0.00 O ATOM 1216 CB ALA A 83 -3.373 18.194 -13.857 1.00 0.00 C ATOM 0 H ALA A 83 -5.761 18.206 -15.315 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.867 17.749 -15.943 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -2.518 17.661 -13.442 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -3.134 19.254 -13.939 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -4.234 18.066 -13.201 1.00 0.00 H new ATOM 1222 N SER A 84 -3.366 15.360 -15.953 1.00 0.00 N ATOM 1223 CA SER A 84 -3.579 13.889 -15.907 1.00 0.00 C ATOM 1224 C SER A 84 -2.237 13.170 -15.887 1.00 0.00 C ATOM 1225 O SER A 84 -1.552 13.107 -16.889 1.00 0.00 O ATOM 1226 CB SER A 84 -4.354 13.464 -17.168 1.00 0.00 C ATOM 1227 OG SER A 84 -4.114 14.514 -18.095 1.00 0.00 O ATOM 0 H SER A 84 -2.712 15.681 -16.667 1.00 0.00 H new ATOM 0 HA SER A 84 -4.139 13.630 -15.008 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.999 12.507 -17.550 1.00 0.00 H new ATOM 0 HB3 SER A 84 -5.418 13.350 -16.962 1.00 0.00 H new ATOM 0 HG SER A 84 -4.966 14.820 -18.470 1.00 0.00 H new ATOM 1233 N SER A 85 -1.879 12.650 -14.741 1.00 0.00 N ATOM 1234 CA SER A 85 -0.583 11.932 -14.637 1.00 0.00 C ATOM 1235 C SER A 85 -0.494 10.811 -15.663 1.00 0.00 C ATOM 1236 O SER A 85 -1.235 10.788 -16.626 1.00 0.00 O ATOM 1237 CB SER A 85 -0.477 11.321 -13.229 1.00 0.00 C ATOM 1238 OG SER A 85 -1.124 10.061 -13.346 1.00 0.00 O ATOM 0 H SER A 85 -2.426 12.693 -13.881 1.00 0.00 H new ATOM 0 HA SER A 85 0.226 12.638 -14.823 1.00 0.00 H new ATOM 0 HB2 SER A 85 0.563 11.208 -12.921 1.00 0.00 H new ATOM 0 HB3 SER A 85 -0.963 11.951 -12.484 1.00 0.00 H new ATOM 0 HG SER A 85 -1.938 10.059 -12.800 1.00 0.00 H new ATOM 1244 N LYS A 86 0.419 9.899 -15.428 1.00 0.00 N ATOM 1245 CA LYS A 86 0.591 8.762 -16.367 1.00 0.00 C ATOM 1246 C LYS A 86 0.566 7.420 -15.590 1.00 0.00 C ATOM 1247 O LYS A 86 1.350 7.242 -14.678 1.00 0.00 O ATOM 1248 CB LYS A 86 1.972 8.902 -17.029 1.00 0.00 C ATOM 1249 CG LYS A 86 2.006 8.066 -18.312 1.00 0.00 C ATOM 1250 CD LYS A 86 3.348 8.288 -19.015 1.00 0.00 C ATOM 1251 CE LYS A 86 3.488 7.293 -20.170 1.00 0.00 C ATOM 1252 NZ LYS A 86 4.379 7.847 -21.226 1.00 0.00 N ATOM 0 H LYS A 86 1.049 9.899 -14.626 1.00 0.00 H new ATOM 0 HA LYS A 86 -0.212 8.771 -17.104 1.00 0.00 H new ATOM 0 HB2 LYS A 86 2.174 9.948 -17.258 1.00 0.00 H new ATOM 0 HB3 LYS A 86 2.752 8.569 -16.344 1.00 0.00 H new ATOM 0 HG2 LYS A 86 1.874 7.010 -18.077 1.00 0.00 H new ATOM 0 HG3 LYS A 86 1.185 8.351 -18.969 1.00 0.00 H new ATOM 0 HD2 LYS A 86 3.410 9.309 -19.391 1.00 0.00 H new ATOM 0 HD3 LYS A 86 4.167 8.159 -18.308 1.00 0.00 H new ATOM 0 HE2 LYS A 86 3.893 6.351 -19.800 1.00 0.00 H new ATOM 0 HE3 LYS A 86 2.507 7.074 -20.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 4.465 7.161 -22.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 3.976 8.734 -21.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 5.320 8.034 -20.824 1.00 0.00 H new ATOM 1266 N PRO A 87 -0.331 6.484 -15.944 1.00 0.00 N ATOM 1267 CA PRO A 87 -0.385 5.209 -15.238 1.00 0.00 C ATOM 1268 C PRO A 87 0.892 4.419 -15.468 1.00 0.00 C ATOM 1269 O PRO A 87 1.563 4.612 -16.463 1.00 0.00 O ATOM 1270 CB PRO A 87 -1.575 4.454 -15.863 1.00 0.00 C ATOM 1271 CG PRO A 87 -2.063 5.291 -17.080 1.00 0.00 C ATOM 1272 CD PRO A 87 -1.314 6.624 -17.041 1.00 0.00 C ATOM 0 HA PRO A 87 -0.494 5.349 -14.163 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -1.274 3.455 -16.179 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -2.377 4.330 -15.135 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -1.864 4.765 -18.014 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -3.140 5.453 -17.029 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -0.818 6.825 -17.991 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -1.996 7.454 -16.855 1.00 0.00 H new ATOM 1280 N ILE A 88 1.214 3.546 -14.550 1.00 0.00 N ATOM 1281 CA ILE A 88 2.452 2.747 -14.727 1.00 0.00 C ATOM 1282 C ILE A 88 2.278 1.345 -14.170 1.00 0.00 C ATOM 1283 O ILE A 88 1.492 1.119 -13.272 1.00 0.00 O ATOM 1284 CB ILE A 88 3.599 3.447 -13.993 1.00 0.00 C ATOM 1285 CG1 ILE A 88 4.939 2.941 -14.530 1.00 0.00 C ATOM 1286 CG2 ILE A 88 3.500 3.114 -12.494 1.00 0.00 C ATOM 1287 CD1 ILE A 88 5.496 3.951 -15.535 1.00 0.00 C ATOM 0 H ILE A 88 0.681 3.357 -13.701 1.00 0.00 H new ATOM 0 HA ILE A 88 2.672 2.667 -15.792 1.00 0.00 H new ATOM 0 HB ILE A 88 3.532 4.524 -14.147 1.00 0.00 H new ATOM 0 HG12 ILE A 88 5.643 2.801 -13.710 1.00 0.00 H new ATOM 0 HG13 ILE A 88 4.809 1.970 -15.007 1.00 0.00 H new ATOM 0 HG21 ILE A 88 4.311 3.606 -11.958 1.00 0.00 H new ATOM 0 HG22 ILE A 88 2.544 3.464 -12.106 1.00 0.00 H new ATOM 0 HG23 ILE A 88 3.575 2.035 -12.355 1.00 0.00 H new ATOM 0 HD11 ILE A 88 6.451 3.593 -15.919 1.00 0.00 H new ATOM 0 HD12 ILE A 88 4.794 4.068 -16.360 1.00 0.00 H new ATOM 0 HD13 ILE A 88 5.641 4.913 -15.042 1.00 0.00 H new ATOM 1299 N SER A 89 3.024 0.428 -14.712 1.00 0.00 N ATOM 1300 CA SER A 89 2.925 -0.964 -14.238 1.00 0.00 C ATOM 1301 C SER A 89 4.250 -1.693 -14.422 1.00 0.00 C ATOM 1302 O SER A 89 5.032 -1.350 -15.288 1.00 0.00 O ATOM 1303 CB SER A 89 1.861 -1.678 -15.079 1.00 0.00 C ATOM 1304 OG SER A 89 2.475 -1.835 -16.351 1.00 0.00 O ATOM 0 H SER A 89 3.696 0.588 -15.462 1.00 0.00 H new ATOM 0 HA SER A 89 2.666 -0.964 -13.179 1.00 0.00 H new ATOM 0 HB2 SER A 89 1.590 -2.641 -14.645 1.00 0.00 H new ATOM 0 HB3 SER A 89 0.946 -1.090 -15.148 1.00 0.00 H new ATOM 0 HG SER A 89 1.856 -2.291 -16.959 1.00 0.00 H new ATOM 1310 N ILE A 90 4.478 -2.686 -13.611 1.00 0.00 N ATOM 1311 CA ILE A 90 5.745 -3.445 -13.730 1.00 0.00 C ATOM 1312 C ILE A 90 5.526 -4.916 -13.397 1.00 0.00 C ATOM 1313 O ILE A 90 4.741 -5.252 -12.525 1.00 0.00 O ATOM 1314 CB ILE A 90 6.766 -2.852 -12.749 1.00 0.00 C ATOM 1315 CG1 ILE A 90 6.055 -2.286 -11.522 1.00 0.00 C ATOM 1316 CG2 ILE A 90 7.511 -1.706 -13.459 1.00 0.00 C ATOM 1317 CD1 ILE A 90 6.992 -2.374 -10.316 1.00 0.00 C ATOM 0 H ILE A 90 3.845 -3.001 -12.876 1.00 0.00 H new ATOM 0 HA ILE A 90 6.110 -3.372 -14.755 1.00 0.00 H new ATOM 0 HB ILE A 90 7.459 -3.632 -12.432 1.00 0.00 H new ATOM 0 HG12 ILE A 90 5.766 -1.250 -11.699 1.00 0.00 H new ATOM 0 HG13 ILE A 90 5.139 -2.843 -11.328 1.00 0.00 H new ATOM 0 HG21 ILE A 90 8.242 -1.270 -12.778 1.00 0.00 H new ATOM 0 HG22 ILE A 90 8.022 -2.095 -14.340 1.00 0.00 H new ATOM 0 HG23 ILE A 90 6.797 -0.941 -13.762 1.00 0.00 H new ATOM 0 HD11 ILE A 90 6.491 -1.971 -9.436 1.00 0.00 H new ATOM 0 HD12 ILE A 90 7.258 -3.416 -10.137 1.00 0.00 H new ATOM 0 HD13 ILE A 90 7.896 -1.798 -10.514 1.00 0.00 H new ATOM 1329 N ASN A 91 6.213 -5.770 -14.107 1.00 0.00 N ATOM 1330 CA ASN A 91 6.066 -7.213 -13.853 1.00 0.00 C ATOM 1331 C ASN A 91 7.136 -7.690 -12.886 1.00 0.00 C ATOM 1332 O ASN A 91 8.199 -7.108 -12.801 1.00 0.00 O ATOM 1333 CB ASN A 91 6.242 -7.948 -15.183 1.00 0.00 C ATOM 1334 CG ASN A 91 7.119 -7.106 -16.112 1.00 0.00 C ATOM 1335 OD1 ASN A 91 6.637 -6.442 -17.008 1.00 0.00 O ATOM 1336 ND2 ASN A 91 8.412 -7.102 -15.929 1.00 0.00 N ATOM 0 H ASN A 91 6.867 -5.521 -14.849 1.00 0.00 H new ATOM 0 HA ASN A 91 5.085 -7.411 -13.421 1.00 0.00 H new ATOM 0 HB2 ASN A 91 6.700 -8.923 -15.015 1.00 0.00 H new ATOM 0 HB3 ASN A 91 5.271 -8.127 -15.644 1.00 0.00 H new ATOM 0 HD21 ASN A 91 9.011 -6.543 -16.537 1.00 0.00 H new ATOM 0 HD22 ASN A 91 8.823 -7.657 -15.178 1.00 0.00 H new ATOM 1343 N TYR A 92 6.848 -8.741 -12.171 1.00 0.00 N ATOM 1344 CA TYR A 92 7.856 -9.249 -11.211 1.00 0.00 C ATOM 1345 C TYR A 92 7.461 -10.615 -10.664 1.00 0.00 C ATOM 1346 O TYR A 92 6.323 -10.837 -10.295 1.00 0.00 O ATOM 1347 CB TYR A 92 7.946 -8.258 -10.037 1.00 0.00 C ATOM 1348 CG TYR A 92 9.136 -8.628 -9.146 1.00 0.00 C ATOM 1349 CD1 TYR A 92 9.049 -9.686 -8.260 1.00 0.00 C ATOM 1350 CD2 TYR A 92 10.313 -7.912 -9.217 1.00 0.00 C ATOM 1351 CE1 TYR A 92 10.123 -10.022 -7.463 1.00 0.00 C ATOM 1352 CE2 TYR A 92 11.389 -8.249 -8.417 1.00 0.00 C ATOM 1353 CZ TYR A 92 11.300 -9.306 -7.534 1.00 0.00 C ATOM 1354 OH TYR A 92 12.376 -9.647 -6.736 1.00 0.00 O ATOM 0 H TYR A 92 5.971 -9.261 -12.210 1.00 0.00 H new ATOM 0 HA TYR A 92 8.812 -9.347 -11.725 1.00 0.00 H new ATOM 0 HB2 TYR A 92 8.062 -7.242 -10.413 1.00 0.00 H new ATOM 0 HB3 TYR A 92 7.023 -8.280 -9.457 1.00 0.00 H new ATOM 0 HD1 TYR A 92 8.133 -10.254 -8.192 1.00 0.00 H new ATOM 0 HD2 TYR A 92 10.395 -7.082 -9.903 1.00 0.00 H new ATOM 0 HE1 TYR A 92 10.042 -10.853 -6.778 1.00 0.00 H new ATOM 0 HE2 TYR A 92 12.305 -7.681 -8.483 1.00 0.00 H new ATOM 0 HH TYR A 92 13.123 -9.039 -6.916 1.00 0.00 H new ATOM 1364 N ARG A 93 8.415 -11.510 -10.615 1.00 0.00 N ATOM 1365 CA ARG A 93 8.118 -12.865 -10.094 1.00 0.00 C ATOM 1366 C ARG A 93 8.106 -12.855 -8.579 1.00 0.00 C ATOM 1367 O ARG A 93 9.142 -12.766 -7.949 1.00 0.00 O ATOM 1368 CB ARG A 93 9.213 -13.827 -10.584 1.00 0.00 C ATOM 1369 CG ARG A 93 8.773 -15.270 -10.329 1.00 0.00 C ATOM 1370 CD ARG A 93 10.012 -16.173 -10.272 1.00 0.00 C ATOM 1371 NE ARG A 93 10.735 -15.916 -8.993 1.00 0.00 N ATOM 1372 CZ ARG A 93 11.811 -16.603 -8.709 1.00 0.00 C ATOM 1373 NH1 ARG A 93 12.838 -16.533 -9.513 1.00 0.00 N ATOM 1374 NH2 ARG A 93 11.823 -17.337 -7.630 1.00 0.00 N ATOM 0 H ARG A 93 9.378 -11.356 -10.913 1.00 0.00 H new ATOM 0 HA ARG A 93 7.139 -13.185 -10.451 1.00 0.00 H new ATOM 0 HB2 ARG A 93 9.398 -13.674 -11.647 1.00 0.00 H new ATOM 0 HB3 ARG A 93 10.150 -13.624 -10.065 1.00 0.00 H new ATOM 0 HG2 ARG A 93 8.219 -15.334 -9.393 1.00 0.00 H new ATOM 0 HG3 ARG A 93 8.102 -15.603 -11.120 1.00 0.00 H new ATOM 0 HD2 ARG A 93 9.719 -17.221 -10.336 1.00 0.00 H new ATOM 0 HD3 ARG A 93 10.665 -15.972 -11.122 1.00 0.00 H new ATOM 0 HE ARG A 93 10.392 -15.208 -8.343 1.00 0.00 H new ATOM 0 HH11 ARG A 93 12.793 -15.949 -10.348 1.00 0.00 H new ATOM 0 HH12 ARG A 93 13.685 -17.063 -9.306 1.00 0.00 H new ATOM 0 HH21 ARG A 93 11.002 -17.368 -7.025 1.00 0.00 H new ATOM 0 HH22 ARG A 93 12.653 -17.880 -7.392 1.00 0.00 H new ATOM 1388 N THR A 94 6.922 -12.945 -8.019 1.00 0.00 N ATOM 1389 CA THR A 94 6.803 -12.940 -6.529 1.00 0.00 C ATOM 1390 C THR A 94 6.120 -14.210 -6.034 1.00 0.00 C ATOM 1391 O THR A 94 5.946 -15.089 -6.861 1.00 0.00 O ATOM 1392 CB THR A 94 5.961 -11.726 -6.110 1.00 0.00 C ATOM 1393 OG1 THR A 94 5.584 -11.099 -7.318 1.00 0.00 O ATOM 1394 CG2 THR A 94 6.825 -10.671 -5.378 1.00 0.00 C ATOM 1395 OXT THR A 94 5.805 -14.230 -4.856 1.00 0.00 O ATOM 0 H THR A 94 6.040 -13.021 -8.526 1.00 0.00 H new ATOM 0 HA THR A 94 7.801 -12.890 -6.094 1.00 0.00 H new ATOM 0 HB THR A 94 5.141 -12.053 -5.470 1.00 0.00 H new ATOM 0 HG1 THR A 94 5.038 -10.310 -7.120 1.00 0.00 H new ATOM 0 HG21 THR A 94 6.201 -9.824 -5.094 1.00 0.00 H new ATOM 0 HG22 THR A 94 7.262 -11.116 -4.484 1.00 0.00 H new ATOM 0 HG23 THR A 94 7.621 -10.330 -6.040 1.00 0.00 H new TER 1403 THR A 94