USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 749 hydrogens (21 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 64 HIS : no HD1:sc= -0.974 X(o=-0.67,f=-0.8) USER MOD Set 1.2: A 79 THR OG1 : rot 130:sc= 0.3 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 133:sc= 0.0303 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 160:sc= 1.68 (180deg=1.06) USER MOD Single : A 9 LYS NZ :NH3+ -144:sc= 0.896 (180deg=-0.445) USER MOD Single : A 13 TYR OH : rot -104:sc= 0.0702 USER MOD Single : A 15 MET CE :methyl -113:sc= -0.297 (180deg=-1.53) USER MOD Single : A 22 SER OG : rot -59:sc= 0.0694 USER MOD Single : A 24 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0261) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 32 THR OG1 : rot -140:sc= 0.316 USER MOD Single : A 41 ASN : amide:sc= -0.317 X(o=-0.32,f=-0.4) USER MOD Single : A 43 MET CE :methyl 178:sc= 0 (180deg=-0.00478) USER MOD Single : A 44 ASN :FLIP amide:sc= -3.6! C(o=-5.9!,f=-3.6!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl -144:sc= -1.4 (180deg=-2.8) USER MOD Single : A 51 TYR OH : rot -73:sc= 0.658 USER MOD Single : A 56 MET CE :methyl 136:sc= -1.09 (180deg=-1.67!) USER MOD Single : A 59 SER OG : rot 29:sc= 0.0774 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.0129 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 140:sc= 0.65 (180deg=0.0286) USER MOD Single : A 74 ASN :FLIP amide:sc= -0.443 F(o=-2,f=-0.44) USER MOD Single : A 77 SER OG : rot 76:sc= 0.545 USER MOD Single : A 82 GLN : amide:sc= -0.0163 X(o=-0.016,f=-0.32) USER MOD Single : A 84 LYS NZ :NH3+ -172:sc= -0.097 (180deg=-0.103) USER MOD Single : A 87 SER OG : rot -81:sc= 0.766 USER MOD Single : A 101 PNS O33 : rot 180:sc= -0.0517 USER MOD Single : A 101 PNS S44 : rot -156:sc= -3.53! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 16.735 8.960 -1.735 1.00 0.00 N ATOM 2 CA MET A 1 15.695 8.136 -2.374 1.00 0.00 C ATOM 3 C MET A 1 14.749 7.567 -1.314 1.00 0.00 C ATOM 4 O MET A 1 15.171 7.256 -0.197 1.00 0.00 O ATOM 5 CB MET A 1 16.342 6.988 -3.202 1.00 0.00 C ATOM 6 CG MET A 1 15.339 6.084 -3.946 1.00 0.00 C ATOM 7 SD MET A 1 16.141 4.765 -4.894 1.00 0.00 S ATOM 8 CE MET A 1 14.738 3.949 -5.667 1.00 0.00 C ATOM 0 H1 MET A 1 17.666 8.704 -2.120 1.00 0.00 H new ATOM 0 H2 MET A 1 16.547 9.965 -1.924 1.00 0.00 H new ATOM 0 H3 MET A 1 16.727 8.794 -0.708 1.00 0.00 H new ATOM 0 HA MET A 1 15.119 8.764 -3.053 1.00 0.00 H new ATOM 0 HB2 MET A 1 17.026 7.425 -3.930 1.00 0.00 H new ATOM 0 HB3 MET A 1 16.941 6.369 -2.533 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.654 5.640 -3.224 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.739 6.695 -4.620 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.092 3.119 -6.279 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.067 3.571 -4.896 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.204 4.661 -6.296 1.00 0.00 H new ATOM 20 N ASP A 2 13.455 7.457 -1.672 1.00 0.00 N ATOM 21 CA ASP A 2 12.450 6.802 -0.825 1.00 0.00 C ATOM 22 C ASP A 2 12.738 5.293 -0.689 1.00 0.00 C ATOM 23 O ASP A 2 13.154 4.831 0.388 1.00 0.00 O ATOM 24 CB ASP A 2 10.989 7.064 -1.320 1.00 0.00 C ATOM 25 CG ASP A 2 10.782 6.998 -2.849 1.00 0.00 C ATOM 26 OD1 ASP A 2 10.577 5.897 -3.402 1.00 0.00 O ATOM 27 OD2 ASP A 2 10.816 8.055 -3.511 1.00 0.00 O ATOM 0 H ASP A 2 13.083 7.818 -2.550 1.00 0.00 H new ATOM 0 HA ASP A 2 12.527 7.251 0.165 1.00 0.00 H new ATOM 0 HB2 ASP A 2 10.329 6.335 -0.850 1.00 0.00 H new ATOM 0 HB3 ASP A 2 10.677 8.048 -0.971 1.00 0.00 H new ATOM 32 N GLY A 3 12.555 4.564 -1.801 1.00 0.00 N ATOM 33 CA GLY A 3 12.702 3.117 -1.859 1.00 0.00 C ATOM 34 C GLY A 3 11.848 2.379 -0.829 1.00 0.00 C ATOM 35 O GLY A 3 10.679 2.077 -1.081 1.00 0.00 O ATOM 0 H GLY A 3 12.296 4.979 -2.696 1.00 0.00 H new ATOM 0 HA2 GLY A 3 12.433 2.772 -2.857 1.00 0.00 H new ATOM 0 HA3 GLY A 3 13.750 2.859 -1.704 1.00 0.00 H new ATOM 39 N GLU A 4 12.435 2.167 0.352 1.00 0.00 N ATOM 40 CA GLU A 4 11.879 1.314 1.419 1.00 0.00 C ATOM 41 C GLU A 4 10.915 2.088 2.319 1.00 0.00 C ATOM 42 O GLU A 4 10.064 1.464 2.970 1.00 0.00 O ATOM 43 CB GLU A 4 13.018 0.715 2.272 1.00 0.00 C ATOM 44 CG GLU A 4 13.855 1.765 3.025 1.00 0.00 C ATOM 45 CD GLU A 4 14.935 1.136 3.917 1.00 0.00 C ATOM 46 OE1 GLU A 4 14.600 0.630 5.011 1.00 0.00 O ATOM 47 OE2 GLU A 4 16.113 1.118 3.520 1.00 0.00 O ATOM 0 H GLU A 4 13.329 2.590 0.603 1.00 0.00 H new ATOM 0 HA GLU A 4 11.321 0.511 0.938 1.00 0.00 H new ATOM 0 HB2 GLU A 4 12.590 0.020 2.995 1.00 0.00 H new ATOM 0 HB3 GLU A 4 13.677 0.136 1.625 1.00 0.00 H new ATOM 0 HG2 GLU A 4 14.328 2.431 2.304 1.00 0.00 H new ATOM 0 HG3 GLU A 4 13.195 2.378 3.639 1.00 0.00 H new ATOM 54 N GLU A 5 11.061 3.445 2.387 1.00 0.00 N ATOM 55 CA GLU A 5 10.186 4.266 3.241 1.00 0.00 C ATOM 56 C GLU A 5 8.745 4.197 2.716 1.00 0.00 C ATOM 57 O GLU A 5 7.812 4.277 3.492 1.00 0.00 O ATOM 58 CB GLU A 5 10.639 5.744 3.373 1.00 0.00 C ATOM 59 CG GLU A 5 10.409 6.621 2.138 1.00 0.00 C ATOM 60 CD GLU A 5 10.732 8.106 2.380 1.00 0.00 C ATOM 61 OE1 GLU A 5 11.926 8.462 2.449 1.00 0.00 O ATOM 62 OE2 GLU A 5 9.795 8.919 2.502 1.00 0.00 O ATOM 0 H GLU A 5 11.764 3.972 1.868 1.00 0.00 H new ATOM 0 HA GLU A 5 10.249 3.846 4.245 1.00 0.00 H new ATOM 0 HB2 GLU A 5 10.114 6.192 4.217 1.00 0.00 H new ATOM 0 HB3 GLU A 5 11.702 5.759 3.614 1.00 0.00 H new ATOM 0 HG2 GLU A 5 11.024 6.251 1.318 1.00 0.00 H new ATOM 0 HG3 GLU A 5 9.370 6.529 1.823 1.00 0.00 H new ATOM 69 N VAL A 6 8.603 4.021 1.381 1.00 0.00 N ATOM 70 CA VAL A 6 7.311 3.761 0.713 1.00 0.00 C ATOM 71 C VAL A 6 6.624 2.556 1.356 1.00 0.00 C ATOM 72 O VAL A 6 5.486 2.663 1.818 1.00 0.00 O ATOM 73 CB VAL A 6 7.511 3.507 -0.830 1.00 0.00 C ATOM 74 CG1 VAL A 6 6.209 3.014 -1.536 1.00 0.00 C ATOM 75 CG2 VAL A 6 8.080 4.773 -1.512 1.00 0.00 C ATOM 0 H VAL A 6 9.391 4.056 0.734 1.00 0.00 H new ATOM 0 HA VAL A 6 6.682 4.643 0.834 1.00 0.00 H new ATOM 0 HB VAL A 6 8.234 2.698 -0.934 1.00 0.00 H new ATOM 0 HG11 VAL A 6 6.407 2.856 -2.596 1.00 0.00 H new ATOM 0 HG12 VAL A 6 5.883 2.077 -1.084 1.00 0.00 H new ATOM 0 HG13 VAL A 6 5.427 3.764 -1.421 1.00 0.00 H new ATOM 0 HG21 VAL A 6 8.213 4.584 -2.577 1.00 0.00 H new ATOM 0 HG22 VAL A 6 7.387 5.603 -1.375 1.00 0.00 H new ATOM 0 HG23 VAL A 6 9.042 5.026 -1.065 1.00 0.00 H new ATOM 85 N LYS A 7 7.378 1.447 1.449 1.00 0.00 N ATOM 86 CA LYS A 7 6.894 0.187 2.015 1.00 0.00 C ATOM 87 C LYS A 7 6.417 0.406 3.467 1.00 0.00 C ATOM 88 O LYS A 7 5.220 0.264 3.758 1.00 0.00 O ATOM 89 CB LYS A 7 8.002 -0.915 1.971 1.00 0.00 C ATOM 90 CG LYS A 7 8.302 -1.559 0.612 1.00 0.00 C ATOM 91 CD LYS A 7 8.988 -0.583 -0.386 1.00 0.00 C ATOM 92 CE LYS A 7 9.974 -1.296 -1.302 1.00 0.00 C ATOM 93 NZ LYS A 7 10.426 -0.445 -2.433 1.00 0.00 N ATOM 0 H LYS A 7 8.346 1.405 1.130 1.00 0.00 H new ATOM 0 HA LYS A 7 6.054 -0.155 1.411 1.00 0.00 H new ATOM 0 HB2 LYS A 7 8.927 -0.478 2.348 1.00 0.00 H new ATOM 0 HB3 LYS A 7 7.717 -1.707 2.664 1.00 0.00 H new ATOM 0 HG2 LYS A 7 8.944 -2.427 0.762 1.00 0.00 H new ATOM 0 HG3 LYS A 7 7.372 -1.922 0.175 1.00 0.00 H new ATOM 0 HD2 LYS A 7 8.227 -0.088 -0.989 1.00 0.00 H new ATOM 0 HD3 LYS A 7 9.509 0.196 0.170 1.00 0.00 H new ATOM 0 HE2 LYS A 7 10.841 -1.611 -0.721 1.00 0.00 H new ATOM 0 HE3 LYS A 7 9.509 -2.200 -1.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 11.316 -0.822 -2.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 9.700 -0.443 -3.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 10.579 0.527 -2.096 1.00 0.00 H new ATOM 107 N GLU A 8 7.346 0.818 4.346 1.00 0.00 N ATOM 108 CA GLU A 8 7.067 0.946 5.791 1.00 0.00 C ATOM 109 C GLU A 8 5.965 1.997 6.090 1.00 0.00 C ATOM 110 O GLU A 8 5.257 1.850 7.077 1.00 0.00 O ATOM 111 CB GLU A 8 8.353 1.278 6.592 1.00 0.00 C ATOM 112 CG GLU A 8 9.006 2.618 6.198 1.00 0.00 C ATOM 113 CD GLU A 8 10.137 3.064 7.137 1.00 0.00 C ATOM 114 OE1 GLU A 8 9.849 3.746 8.145 1.00 0.00 O ATOM 115 OE2 GLU A 8 11.309 2.723 6.888 1.00 0.00 O ATOM 0 H GLU A 8 8.299 1.069 4.083 1.00 0.00 H new ATOM 0 HA GLU A 8 6.695 -0.026 6.116 1.00 0.00 H new ATOM 0 HB2 GLU A 8 8.111 1.301 7.655 1.00 0.00 H new ATOM 0 HB3 GLU A 8 9.077 0.476 6.447 1.00 0.00 H new ATOM 0 HG2 GLU A 8 9.401 2.534 5.185 1.00 0.00 H new ATOM 0 HG3 GLU A 8 8.239 3.392 6.178 1.00 0.00 H new ATOM 122 N LYS A 9 5.825 3.027 5.227 1.00 0.00 N ATOM 123 CA LYS A 9 4.746 4.036 5.349 1.00 0.00 C ATOM 124 C LYS A 9 3.377 3.373 5.184 1.00 0.00 C ATOM 125 O LYS A 9 2.474 3.583 6.004 1.00 0.00 O ATOM 126 CB LYS A 9 4.915 5.181 4.300 1.00 0.00 C ATOM 127 CG LYS A 9 5.898 6.294 4.726 1.00 0.00 C ATOM 128 CD LYS A 9 6.092 7.372 3.635 1.00 0.00 C ATOM 129 CE LYS A 9 6.992 8.531 4.115 1.00 0.00 C ATOM 130 NZ LYS A 9 6.390 9.290 5.241 1.00 0.00 N ATOM 0 H LYS A 9 6.448 3.183 4.435 1.00 0.00 H new ATOM 0 HA LYS A 9 4.814 4.476 6.344 1.00 0.00 H new ATOM 0 HB2 LYS A 9 5.259 4.749 3.360 1.00 0.00 H new ATOM 0 HB3 LYS A 9 3.940 5.628 4.107 1.00 0.00 H new ATOM 0 HG2 LYS A 9 5.531 6.767 5.637 1.00 0.00 H new ATOM 0 HG3 LYS A 9 6.863 5.848 4.965 1.00 0.00 H new ATOM 0 HD2 LYS A 9 6.533 6.915 2.749 1.00 0.00 H new ATOM 0 HD3 LYS A 9 5.120 7.767 3.340 1.00 0.00 H new ATOM 0 HE2 LYS A 9 7.958 8.132 4.425 1.00 0.00 H new ATOM 0 HE3 LYS A 9 7.180 9.210 3.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 6.627 10.298 5.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 5.357 9.174 5.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 6.764 8.930 6.142 1.00 0.00 H new ATOM 144 N ILE A 10 3.252 2.560 4.127 1.00 0.00 N ATOM 145 CA ILE A 10 1.982 1.933 3.752 1.00 0.00 C ATOM 146 C ILE A 10 1.588 0.888 4.802 1.00 0.00 C ATOM 147 O ILE A 10 0.448 0.910 5.282 1.00 0.00 O ATOM 148 CB ILE A 10 2.059 1.289 2.327 1.00 0.00 C ATOM 149 CG1 ILE A 10 2.456 2.364 1.268 1.00 0.00 C ATOM 150 CG2 ILE A 10 0.722 0.591 1.939 1.00 0.00 C ATOM 151 CD1 ILE A 10 2.804 1.811 -0.105 1.00 0.00 C ATOM 0 H ILE A 10 4.028 2.320 3.510 1.00 0.00 H new ATOM 0 HA ILE A 10 1.215 2.707 3.716 1.00 0.00 H new ATOM 0 HB ILE A 10 2.830 0.519 2.348 1.00 0.00 H new ATOM 0 HG12 ILE A 10 1.632 3.070 1.161 1.00 0.00 H new ATOM 0 HG13 ILE A 10 3.311 2.926 1.645 1.00 0.00 H new ATOM 0 HG21 ILE A 10 0.814 0.156 0.944 1.00 0.00 H new ATOM 0 HG22 ILE A 10 0.500 -0.196 2.660 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.085 1.324 1.941 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.066 2.632 -0.772 1.00 0.00 H new ATOM 0 HD12 ILE A 10 3.650 1.129 -0.019 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.945 1.275 -0.510 1.00 0.00 H new ATOM 163 N ARG A 11 2.558 0.014 5.194 1.00 0.00 N ATOM 164 CA ARG A 11 2.314 -1.038 6.206 1.00 0.00 C ATOM 165 C ARG A 11 1.966 -0.415 7.563 1.00 0.00 C ATOM 166 O ARG A 11 1.136 -0.959 8.286 1.00 0.00 O ATOM 167 CB ARG A 11 3.500 -2.029 6.377 1.00 0.00 C ATOM 168 CG ARG A 11 4.772 -1.474 7.051 1.00 0.00 C ATOM 169 CD ARG A 11 5.676 -2.584 7.629 1.00 0.00 C ATOM 170 NE ARG A 11 6.951 -2.067 8.158 1.00 0.00 N ATOM 171 CZ ARG A 11 7.172 -1.711 9.437 1.00 0.00 C ATOM 172 NH1 ARG A 11 6.204 -1.809 10.351 1.00 0.00 N ATOM 173 NH2 ARG A 11 8.361 -1.256 9.798 1.00 0.00 N ATOM 0 H ARG A 11 3.508 0.022 4.823 1.00 0.00 H new ATOM 0 HA ARG A 11 1.470 -1.616 5.831 1.00 0.00 H new ATOM 0 HB2 ARG A 11 3.150 -2.882 6.959 1.00 0.00 H new ATOM 0 HB3 ARG A 11 3.773 -2.406 5.392 1.00 0.00 H new ATOM 0 HG2 ARG A 11 5.339 -0.892 6.324 1.00 0.00 H new ATOM 0 HG3 ARG A 11 4.485 -0.792 7.851 1.00 0.00 H new ATOM 0 HD2 ARG A 11 5.142 -3.103 8.425 1.00 0.00 H new ATOM 0 HD3 ARG A 11 5.882 -3.319 6.851 1.00 0.00 H new ATOM 0 HE ARG A 11 7.727 -1.972 7.503 1.00 0.00 H new ATOM 0 HH11 ARG A 11 5.283 -2.157 10.083 1.00 0.00 H new ATOM 0 HH12 ARG A 11 6.385 -1.536 11.317 1.00 0.00 H new ATOM 0 HH21 ARG A 11 9.107 -1.176 9.108 1.00 0.00 H new ATOM 0 HH22 ARG A 11 8.531 -0.986 10.767 1.00 0.00 H new ATOM 187 N ARG A 12 2.594 0.738 7.880 1.00 0.00 N ATOM 188 CA ARG A 12 2.326 1.465 9.129 1.00 0.00 C ATOM 189 C ARG A 12 0.909 2.025 9.113 1.00 0.00 C ATOM 190 O ARG A 12 0.228 1.966 10.120 1.00 0.00 O ATOM 191 CB ARG A 12 3.356 2.619 9.378 1.00 0.00 C ATOM 192 CG ARG A 12 4.370 2.390 10.507 1.00 0.00 C ATOM 193 CD ARG A 12 5.333 1.241 10.213 1.00 0.00 C ATOM 194 NE ARG A 12 6.447 1.215 11.174 1.00 0.00 N ATOM 195 CZ ARG A 12 7.665 1.772 10.986 1.00 0.00 C ATOM 196 NH1 ARG A 12 7.956 2.414 9.860 1.00 0.00 N ATOM 197 NH2 ARG A 12 8.573 1.681 11.936 1.00 0.00 N ATOM 0 H ARG A 12 3.291 1.182 7.283 1.00 0.00 H new ATOM 0 HA ARG A 12 2.431 0.753 9.948 1.00 0.00 H new ATOM 0 HB2 ARG A 12 3.906 2.793 8.453 1.00 0.00 H new ATOM 0 HB3 ARG A 12 2.802 3.532 9.595 1.00 0.00 H new ATOM 0 HG2 ARG A 12 4.941 3.305 10.668 1.00 0.00 H new ATOM 0 HG3 ARG A 12 3.835 2.182 11.433 1.00 0.00 H new ATOM 0 HD2 ARG A 12 4.795 0.294 10.252 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.726 1.343 9.201 1.00 0.00 H new ATOM 0 HE ARG A 12 6.287 0.735 12.059 1.00 0.00 H new ATOM 0 HH11 ARG A 12 7.256 2.492 9.122 1.00 0.00 H new ATOM 0 HH12 ARG A 12 8.879 2.829 9.733 1.00 0.00 H new ATOM 0 HH21 ARG A 12 8.355 1.193 12.805 1.00 0.00 H new ATOM 0 HH22 ARG A 12 9.494 2.098 11.803 1.00 0.00 H new ATOM 211 N TYR A 13 0.475 2.549 7.957 1.00 0.00 N ATOM 212 CA TYR A 13 -0.876 3.108 7.803 1.00 0.00 C ATOM 213 C TYR A 13 -1.945 2.006 7.951 1.00 0.00 C ATOM 214 O TYR A 13 -3.056 2.260 8.438 1.00 0.00 O ATOM 215 CB TYR A 13 -1.016 3.812 6.447 1.00 0.00 C ATOM 216 CG TYR A 13 -2.328 4.590 6.298 1.00 0.00 C ATOM 217 CD1 TYR A 13 -2.626 5.656 7.152 1.00 0.00 C ATOM 218 CD2 TYR A 13 -3.263 4.263 5.320 1.00 0.00 C ATOM 219 CE1 TYR A 13 -3.800 6.361 7.027 1.00 0.00 C ATOM 220 CE2 TYR A 13 -4.436 4.964 5.198 1.00 0.00 C ATOM 221 CZ TYR A 13 -4.703 6.008 6.044 1.00 0.00 C ATOM 222 OH TYR A 13 -5.888 6.697 5.915 1.00 0.00 O ATOM 0 H TYR A 13 1.043 2.597 7.111 1.00 0.00 H new ATOM 0 HA TYR A 13 -1.032 3.843 8.593 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -0.179 4.497 6.313 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -0.950 3.069 5.652 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -1.922 5.931 7.923 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -3.062 3.444 4.646 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -4.014 7.184 7.692 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -5.150 4.693 4.434 1.00 0.00 H new ATOM 0 HH TYR A 13 -6.622 6.155 6.273 1.00 0.00 H new ATOM 232 N ILE A 14 -1.583 0.783 7.521 1.00 0.00 N ATOM 233 CA ILE A 14 -2.404 -0.416 7.740 1.00 0.00 C ATOM 234 C ILE A 14 -2.512 -0.695 9.257 1.00 0.00 C ATOM 235 O ILE A 14 -3.580 -1.043 9.753 1.00 0.00 O ATOM 236 CB ILE A 14 -1.799 -1.653 6.980 1.00 0.00 C ATOM 237 CG1 ILE A 14 -1.714 -1.358 5.447 1.00 0.00 C ATOM 238 CG2 ILE A 14 -2.606 -2.953 7.252 1.00 0.00 C ATOM 239 CD1 ILE A 14 -0.797 -2.282 4.674 1.00 0.00 C ATOM 0 H ILE A 14 -0.716 0.602 7.014 1.00 0.00 H new ATOM 0 HA ILE A 14 -3.403 -0.243 7.341 1.00 0.00 H new ATOM 0 HB ILE A 14 -0.792 -1.817 7.362 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -2.716 -1.424 5.022 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.375 -0.332 5.307 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.154 -3.782 6.708 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.596 -3.171 8.320 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.635 -2.819 6.919 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.802 -2.002 3.621 1.00 0.00 H new ATOM 0 HD12 ILE A 14 0.217 -2.201 5.067 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -1.145 -3.310 4.778 1.00 0.00 H new ATOM 251 N MET A 15 -1.395 -0.495 9.978 1.00 0.00 N ATOM 252 CA MET A 15 -1.322 -0.668 11.445 1.00 0.00 C ATOM 253 C MET A 15 -2.131 0.417 12.202 1.00 0.00 C ATOM 254 O MET A 15 -2.753 0.127 13.233 1.00 0.00 O ATOM 255 CB MET A 15 0.175 -0.648 11.892 1.00 0.00 C ATOM 256 CG MET A 15 1.032 -1.751 11.254 1.00 0.00 C ATOM 257 SD MET A 15 2.817 -1.501 11.433 1.00 0.00 S ATOM 258 CE MET A 15 3.011 -1.683 13.197 1.00 0.00 C ATOM 0 H MET A 15 -0.510 -0.207 9.560 1.00 0.00 H new ATOM 0 HA MET A 15 -1.770 -1.629 11.697 1.00 0.00 H new ATOM 0 HB2 MET A 15 0.605 0.322 11.643 1.00 0.00 H new ATOM 0 HB3 MET A 15 0.221 -0.748 12.976 1.00 0.00 H new ATOM 0 HG2 MET A 15 0.764 -2.708 11.701 1.00 0.00 H new ATOM 0 HG3 MET A 15 0.790 -1.816 10.193 1.00 0.00 H new ATOM 0 HE1 MET A 15 3.304 -0.727 13.631 1.00 0.00 H new ATOM 0 HE2 MET A 15 2.067 -2.007 13.635 1.00 0.00 H new ATOM 0 HE3 MET A 15 3.781 -2.426 13.404 1.00 0.00 H new ATOM 268 N GLU A 16 -2.123 1.648 11.659 1.00 0.00 N ATOM 269 CA GLU A 16 -2.743 2.829 12.291 1.00 0.00 C ATOM 270 C GLU A 16 -4.256 2.860 12.022 1.00 0.00 C ATOM 271 O GLU A 16 -5.076 2.634 12.922 1.00 0.00 O ATOM 272 CB GLU A 16 -2.085 4.141 11.752 1.00 0.00 C ATOM 273 CG GLU A 16 -0.556 4.261 11.966 1.00 0.00 C ATOM 274 CD GLU A 16 -0.128 4.523 13.424 1.00 0.00 C ATOM 275 OE1 GLU A 16 -0.421 3.691 14.305 1.00 0.00 O ATOM 276 OE2 GLU A 16 0.514 5.565 13.691 1.00 0.00 O ATOM 0 H GLU A 16 -1.683 1.854 10.762 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.580 2.762 13.367 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.291 4.217 10.684 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.569 4.992 12.232 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.081 3.342 11.622 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.178 5.069 11.340 1.00 0.00 H new ATOM 283 N ASP A 17 -4.597 3.131 10.758 1.00 0.00 N ATOM 284 CA ASP A 17 -5.968 3.436 10.322 1.00 0.00 C ATOM 285 C ASP A 17 -6.780 2.160 10.054 1.00 0.00 C ATOM 286 O ASP A 17 -7.856 1.969 10.634 1.00 0.00 O ATOM 287 CB ASP A 17 -5.908 4.316 9.050 1.00 0.00 C ATOM 288 CG ASP A 17 -7.285 4.634 8.433 1.00 0.00 C ATOM 289 OD1 ASP A 17 -8.128 5.227 9.137 1.00 0.00 O ATOM 290 OD2 ASP A 17 -7.519 4.321 7.242 1.00 0.00 O ATOM 0 H ASP A 17 -3.919 3.145 9.996 1.00 0.00 H new ATOM 0 HA ASP A 17 -6.475 3.974 11.123 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -5.407 5.253 9.294 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -5.295 3.812 8.302 1.00 0.00 H new ATOM 295 N LEU A 18 -6.241 1.297 9.171 1.00 0.00 N ATOM 296 CA LEU A 18 -6.957 0.113 8.642 1.00 0.00 C ATOM 297 C LEU A 18 -7.271 -0.899 9.768 1.00 0.00 C ATOM 298 O LEU A 18 -8.385 -1.424 9.834 1.00 0.00 O ATOM 299 CB LEU A 18 -6.151 -0.576 7.494 1.00 0.00 C ATOM 300 CG LEU A 18 -6.113 0.160 6.101 1.00 0.00 C ATOM 301 CD1 LEU A 18 -5.512 1.579 6.178 1.00 0.00 C ATOM 302 CD2 LEU A 18 -5.369 -0.696 5.053 1.00 0.00 C ATOM 0 H LEU A 18 -5.296 1.399 8.802 1.00 0.00 H new ATOM 0 HA LEU A 18 -7.901 0.464 8.226 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.124 -0.709 7.834 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -6.567 -1.572 7.339 1.00 0.00 H new ATOM 0 HG LEU A 18 -7.150 0.284 5.789 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.515 2.030 5.186 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.108 2.190 6.856 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.488 1.521 6.547 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.354 -0.170 4.098 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.346 -0.872 5.387 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.881 -1.651 4.933 1.00 0.00 H new ATOM 314 N ILE A 19 -6.277 -1.161 10.641 1.00 0.00 N ATOM 315 CA ILE A 19 -6.431 -2.067 11.800 1.00 0.00 C ATOM 316 C ILE A 19 -6.587 -1.234 13.090 1.00 0.00 C ATOM 317 O ILE A 19 -7.706 -0.812 13.413 1.00 0.00 O ATOM 318 CB ILE A 19 -5.232 -3.099 11.885 1.00 0.00 C ATOM 319 CG1 ILE A 19 -5.053 -3.846 10.520 1.00 0.00 C ATOM 320 CG2 ILE A 19 -5.416 -4.110 13.056 1.00 0.00 C ATOM 321 CD1 ILE A 19 -3.824 -4.736 10.443 1.00 0.00 C ATOM 0 H ILE A 19 -5.346 -0.752 10.564 1.00 0.00 H new ATOM 0 HA ILE A 19 -7.335 -2.663 11.674 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.324 -2.533 12.092 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.938 -4.454 10.335 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -5.001 -3.107 9.720 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.572 -4.799 13.078 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -5.466 -3.568 14.000 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -6.339 -4.671 12.910 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.781 -5.213 9.464 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -2.928 -4.133 10.593 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.880 -5.501 11.217 1.00 0.00 H new ATOM 333 N GLY A 20 -5.478 -0.975 13.816 1.00 0.00 N ATOM 334 CA GLY A 20 -5.524 -0.229 15.076 1.00 0.00 C ATOM 335 C GLY A 20 -4.874 -0.993 16.237 1.00 0.00 C ATOM 336 O GLY A 20 -3.700 -0.760 16.544 1.00 0.00 O ATOM 0 H GLY A 20 -4.542 -1.275 13.544 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.018 0.728 14.946 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -6.562 -0.009 15.326 1.00 0.00 H new ATOM 340 N PRO A 21 -5.610 -1.965 16.886 1.00 0.00 N ATOM 341 CA PRO A 21 -5.173 -2.600 18.149 1.00 0.00 C ATOM 342 C PRO A 21 -4.200 -3.793 17.938 1.00 0.00 C ATOM 343 O PRO A 21 -3.121 -3.830 18.542 1.00 0.00 O ATOM 344 CB PRO A 21 -6.520 -3.038 18.793 1.00 0.00 C ATOM 345 CG PRO A 21 -7.503 -3.199 17.653 1.00 0.00 C ATOM 346 CD PRO A 21 -6.899 -2.526 16.418 1.00 0.00 C ATOM 0 HA PRO A 21 -4.591 -1.925 18.776 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -6.403 -3.973 19.341 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -6.871 -2.292 19.506 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -7.693 -4.254 17.459 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -8.460 -2.744 17.907 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -6.749 -3.243 15.611 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -7.554 -1.745 16.033 1.00 0.00 H new ATOM 354 N SER A 22 -4.593 -4.765 17.083 1.00 0.00 N ATOM 355 CA SER A 22 -3.781 -5.954 16.760 1.00 0.00 C ATOM 356 C SER A 22 -2.794 -5.604 15.625 1.00 0.00 C ATOM 357 O SER A 22 -2.859 -6.146 14.509 1.00 0.00 O ATOM 358 CB SER A 22 -4.729 -7.129 16.386 1.00 0.00 C ATOM 359 OG SER A 22 -4.015 -8.308 16.048 1.00 0.00 O ATOM 0 H SER A 22 -5.489 -4.743 16.596 1.00 0.00 H new ATOM 0 HA SER A 22 -3.189 -6.269 17.620 1.00 0.00 H new ATOM 0 HB2 SER A 22 -5.395 -7.337 17.224 1.00 0.00 H new ATOM 0 HB3 SER A 22 -5.357 -6.833 15.546 1.00 0.00 H new ATOM 0 HG SER A 22 -3.423 -8.126 15.288 1.00 0.00 H new ATOM 365 N ALA A 23 -1.885 -4.660 15.926 1.00 0.00 N ATOM 366 CA ALA A 23 -0.923 -4.139 14.955 1.00 0.00 C ATOM 367 C ALA A 23 0.332 -3.634 15.672 1.00 0.00 C ATOM 368 O ALA A 23 0.688 -2.452 15.601 1.00 0.00 O ATOM 369 CB ALA A 23 -1.566 -3.043 14.098 1.00 0.00 C ATOM 0 H ALA A 23 -1.801 -4.240 16.852 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.622 -4.944 14.285 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.836 -2.667 13.381 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.422 -3.455 13.563 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.898 -2.227 14.740 1.00 0.00 H new ATOM 375 N LYS A 24 0.987 -4.566 16.377 1.00 0.00 N ATOM 376 CA LYS A 24 2.296 -4.344 17.015 1.00 0.00 C ATOM 377 C LYS A 24 3.380 -4.153 15.919 1.00 0.00 C ATOM 378 O LYS A 24 3.121 -4.471 14.753 1.00 0.00 O ATOM 379 CB LYS A 24 2.593 -5.530 17.970 1.00 0.00 C ATOM 380 CG LYS A 24 3.794 -5.321 18.910 1.00 0.00 C ATOM 381 CD LYS A 24 3.940 -6.467 19.926 1.00 0.00 C ATOM 382 CE LYS A 24 5.158 -6.292 20.841 1.00 0.00 C ATOM 383 NZ LYS A 24 6.430 -6.445 20.103 1.00 0.00 N ATOM 0 H LYS A 24 0.621 -5.507 16.523 1.00 0.00 H new ATOM 0 HA LYS A 24 2.295 -3.434 17.616 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.706 -5.721 18.574 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.770 -6.424 17.372 1.00 0.00 H new ATOM 0 HG2 LYS A 24 4.707 -5.242 18.319 1.00 0.00 H new ATOM 0 HG3 LYS A 24 3.677 -4.377 19.443 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.038 -6.525 20.535 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.025 -7.413 19.391 1.00 0.00 H new ATOM 0 HE2 LYS A 24 5.124 -5.306 21.305 1.00 0.00 H new ATOM 0 HE3 LYS A 24 5.115 -7.025 21.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 7.225 -6.421 20.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 6.431 -7.354 19.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 6.530 -5.668 19.419 1.00 0.00 H new ATOM 397 N GLU A 25 4.576 -3.646 16.318 1.00 0.00 N ATOM 398 CA GLU A 25 5.670 -3.211 15.394 1.00 0.00 C ATOM 399 C GLU A 25 5.928 -4.174 14.216 1.00 0.00 C ATOM 400 O GLU A 25 6.086 -3.735 13.069 1.00 0.00 O ATOM 401 CB GLU A 25 6.989 -3.033 16.195 1.00 0.00 C ATOM 402 CG GLU A 25 6.924 -1.975 17.313 1.00 0.00 C ATOM 403 CD GLU A 25 6.659 -0.568 16.766 1.00 0.00 C ATOM 404 OE1 GLU A 25 7.609 0.062 16.260 1.00 0.00 O ATOM 405 OE2 GLU A 25 5.503 -0.094 16.824 1.00 0.00 O ATOM 0 H GLU A 25 4.816 -3.524 17.302 1.00 0.00 H new ATOM 0 HA GLU A 25 5.334 -2.270 14.959 1.00 0.00 H new ATOM 0 HB2 GLU A 25 7.263 -3.992 16.636 1.00 0.00 H new ATOM 0 HB3 GLU A 25 7.785 -2.762 15.502 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.137 -2.243 18.018 1.00 0.00 H new ATOM 0 HG3 GLU A 25 7.863 -1.976 17.867 1.00 0.00 H new ATOM 412 N ASP A 26 5.923 -5.476 14.510 1.00 0.00 N ATOM 413 CA ASP A 26 6.267 -6.533 13.526 1.00 0.00 C ATOM 414 C ASP A 26 5.103 -7.514 13.311 1.00 0.00 C ATOM 415 O ASP A 26 5.312 -8.650 12.858 1.00 0.00 O ATOM 416 CB ASP A 26 7.559 -7.284 13.971 1.00 0.00 C ATOM 417 CG ASP A 26 8.811 -6.393 13.950 1.00 0.00 C ATOM 418 OD1 ASP A 26 9.059 -5.662 14.933 1.00 0.00 O ATOM 419 OD2 ASP A 26 9.552 -6.410 12.945 1.00 0.00 O ATOM 0 H ASP A 26 5.682 -5.838 15.433 1.00 0.00 H new ATOM 0 HA ASP A 26 6.457 -6.050 12.568 1.00 0.00 H new ATOM 0 HB2 ASP A 26 7.416 -7.676 14.978 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.719 -8.140 13.316 1.00 0.00 H new ATOM 424 N GLU A 27 3.866 -7.064 13.613 1.00 0.00 N ATOM 425 CA GLU A 27 2.641 -7.793 13.237 1.00 0.00 C ATOM 426 C GLU A 27 2.381 -7.615 11.740 1.00 0.00 C ATOM 427 O GLU A 27 1.829 -8.500 11.086 1.00 0.00 O ATOM 428 CB GLU A 27 1.408 -7.320 14.073 1.00 0.00 C ATOM 429 CG GLU A 27 1.332 -7.907 15.490 1.00 0.00 C ATOM 430 CD GLU A 27 1.239 -9.444 15.498 1.00 0.00 C ATOM 431 OE1 GLU A 27 0.183 -9.984 15.102 1.00 0.00 O ATOM 432 OE2 GLU A 27 2.222 -10.117 15.879 1.00 0.00 O ATOM 0 H GLU A 27 3.692 -6.195 14.118 1.00 0.00 H new ATOM 0 HA GLU A 27 2.789 -8.851 13.455 1.00 0.00 H new ATOM 0 HB2 GLU A 27 1.430 -6.233 14.145 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.498 -7.585 13.535 1.00 0.00 H new ATOM 0 HG2 GLU A 27 2.213 -7.598 16.053 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.464 -7.493 16.003 1.00 0.00 H new ATOM 439 N LEU A 28 2.748 -6.433 11.217 1.00 0.00 N ATOM 440 CA LEU A 28 2.723 -6.147 9.786 1.00 0.00 C ATOM 441 C LEU A 28 4.165 -6.034 9.302 1.00 0.00 C ATOM 442 O LEU A 28 4.888 -5.101 9.668 1.00 0.00 O ATOM 443 CB LEU A 28 1.919 -4.844 9.477 1.00 0.00 C ATOM 444 CG LEU A 28 0.362 -4.989 9.462 1.00 0.00 C ATOM 445 CD1 LEU A 28 -0.081 -6.005 8.394 1.00 0.00 C ATOM 446 CD2 LEU A 28 -0.195 -5.361 10.851 1.00 0.00 C ATOM 0 H LEU A 28 3.071 -5.649 11.785 1.00 0.00 H new ATOM 0 HA LEU A 28 2.215 -6.955 9.259 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.187 -4.091 10.218 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.239 -4.465 8.506 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.055 -4.016 9.202 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.168 -6.090 8.401 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.250 -5.668 7.412 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.360 -6.978 8.612 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.280 -5.452 10.796 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.233 -6.311 11.172 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.068 -4.584 11.569 1.00 0.00 H new ATOM 458 N ASP A 29 4.565 -7.031 8.530 1.00 0.00 N ATOM 459 CA ASP A 29 5.842 -7.053 7.811 1.00 0.00 C ATOM 460 C ASP A 29 5.645 -6.497 6.407 1.00 0.00 C ATOM 461 O ASP A 29 4.509 -6.241 5.962 1.00 0.00 O ATOM 462 CB ASP A 29 6.391 -8.505 7.723 1.00 0.00 C ATOM 463 CG ASP A 29 6.671 -9.121 9.100 1.00 0.00 C ATOM 464 OD1 ASP A 29 7.760 -8.880 9.654 1.00 0.00 O ATOM 465 OD2 ASP A 29 5.811 -9.857 9.626 1.00 0.00 O ATOM 0 H ASP A 29 4.004 -7.869 8.378 1.00 0.00 H new ATOM 0 HA ASP A 29 6.561 -6.438 8.353 1.00 0.00 H new ATOM 0 HB2 ASP A 29 5.672 -9.128 7.191 1.00 0.00 H new ATOM 0 HB3 ASP A 29 7.310 -8.506 7.136 1.00 0.00 H new ATOM 470 N ASP A 30 6.756 -6.344 5.698 1.00 0.00 N ATOM 471 CA ASP A 30 6.765 -5.856 4.324 1.00 0.00 C ATOM 472 C ASP A 30 6.448 -6.987 3.325 1.00 0.00 C ATOM 473 O ASP A 30 6.180 -6.729 2.157 1.00 0.00 O ATOM 474 CB ASP A 30 8.128 -5.185 4.017 1.00 0.00 C ATOM 475 CG ASP A 30 8.507 -4.103 5.056 1.00 0.00 C ATOM 476 OD1 ASP A 30 9.132 -4.455 6.086 1.00 0.00 O ATOM 477 OD2 ASP A 30 8.168 -2.907 4.865 1.00 0.00 O ATOM 0 H ASP A 30 7.684 -6.557 6.063 1.00 0.00 H new ATOM 0 HA ASP A 30 5.980 -5.109 4.211 1.00 0.00 H new ATOM 0 HB2 ASP A 30 8.906 -5.948 3.992 1.00 0.00 H new ATOM 0 HB3 ASP A 30 8.091 -4.734 3.025 1.00 0.00 H new ATOM 482 N GLN A 31 6.452 -8.244 3.809 1.00 0.00 N ATOM 483 CA GLN A 31 6.170 -9.445 2.995 1.00 0.00 C ATOM 484 C GLN A 31 4.879 -10.139 3.467 1.00 0.00 C ATOM 485 O GLN A 31 4.498 -11.173 2.906 1.00 0.00 O ATOM 486 CB GLN A 31 7.388 -10.413 3.066 1.00 0.00 C ATOM 487 CG GLN A 31 8.703 -9.800 2.544 1.00 0.00 C ATOM 488 CD GLN A 31 9.926 -10.711 2.632 1.00 0.00 C ATOM 489 OE1 GLN A 31 9.826 -11.936 2.553 1.00 0.00 O ATOM 490 NE2 GLN A 31 11.098 -10.108 2.770 1.00 0.00 N ATOM 0 H GLN A 31 6.653 -8.458 4.786 1.00 0.00 H new ATOM 0 HA GLN A 31 6.016 -9.147 1.958 1.00 0.00 H new ATOM 0 HB2 GLN A 31 7.530 -10.727 4.100 1.00 0.00 H new ATOM 0 HB3 GLN A 31 7.162 -11.309 2.488 1.00 0.00 H new ATOM 0 HG2 GLN A 31 8.561 -9.509 1.503 1.00 0.00 H new ATOM 0 HG3 GLN A 31 8.908 -8.888 3.105 1.00 0.00 H new ATOM 0 HE21 GLN A 31 11.144 -9.091 2.832 1.00 0.00 H new ATOM 0 HE22 GLN A 31 11.954 -10.661 2.814 1.00 0.00 H new ATOM 499 N THR A 32 4.216 -9.560 4.500 1.00 0.00 N ATOM 500 CA THR A 32 2.943 -10.072 5.020 1.00 0.00 C ATOM 501 C THR A 32 1.881 -10.148 3.894 1.00 0.00 C ATOM 502 O THR A 32 1.663 -9.148 3.205 1.00 0.00 O ATOM 503 CB THR A 32 2.427 -9.185 6.201 1.00 0.00 C ATOM 504 OG1 THR A 32 3.308 -9.326 7.321 1.00 0.00 O ATOM 505 CG2 THR A 32 0.991 -9.518 6.647 1.00 0.00 C ATOM 0 H THR A 32 4.555 -8.730 4.987 1.00 0.00 H new ATOM 0 HA THR A 32 3.114 -11.079 5.399 1.00 0.00 H new ATOM 0 HB THR A 32 2.412 -8.159 5.832 1.00 0.00 H new ATOM 0 HG1 THR A 32 2.783 -9.361 8.148 1.00 0.00 H new ATOM 0 HG21 THR A 32 0.704 -8.862 7.469 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.307 -9.372 5.811 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.944 -10.556 6.978 1.00 0.00 H new ATOM 513 N PRO A 33 1.234 -11.348 3.683 1.00 0.00 N ATOM 514 CA PRO A 33 0.165 -11.510 2.683 1.00 0.00 C ATOM 515 C PRO A 33 -1.110 -10.761 3.125 1.00 0.00 C ATOM 516 O PRO A 33 -2.014 -11.335 3.723 1.00 0.00 O ATOM 517 CB PRO A 33 -0.030 -13.048 2.608 1.00 0.00 C ATOM 518 CG PRO A 33 0.397 -13.558 3.959 1.00 0.00 C ATOM 519 CD PRO A 33 1.501 -12.623 4.418 1.00 0.00 C ATOM 0 HA PRO A 33 0.405 -11.089 1.707 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -1.068 -13.305 2.399 1.00 0.00 H new ATOM 0 HB3 PRO A 33 0.573 -13.485 1.812 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -0.437 -13.554 4.661 1.00 0.00 H new ATOM 0 HG3 PRO A 33 0.755 -14.586 3.895 1.00 0.00 H new ATOM 0 HD2 PRO A 33 1.473 -12.473 5.497 1.00 0.00 H new ATOM 0 HD3 PRO A 33 2.486 -13.022 4.177 1.00 0.00 H new ATOM 527 N LEU A 34 -1.125 -9.458 2.822 1.00 0.00 N ATOM 528 CA LEU A 34 -2.125 -8.492 3.306 1.00 0.00 C ATOM 529 C LEU A 34 -3.557 -8.886 2.880 1.00 0.00 C ATOM 530 O LEU A 34 -4.499 -8.853 3.683 1.00 0.00 O ATOM 531 CB LEU A 34 -1.782 -7.091 2.738 1.00 0.00 C ATOM 532 CG LEU A 34 -0.327 -6.566 2.971 1.00 0.00 C ATOM 533 CD1 LEU A 34 -0.097 -5.232 2.241 1.00 0.00 C ATOM 534 CD2 LEU A 34 0.020 -6.455 4.473 1.00 0.00 C ATOM 0 H LEU A 34 -0.423 -9.032 2.217 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.095 -8.484 4.396 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.969 -7.106 1.664 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.475 -6.371 3.172 1.00 0.00 H new ATOM 0 HG LEU A 34 0.353 -7.304 2.545 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.922 -4.890 2.420 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.250 -5.372 1.171 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.800 -4.487 2.614 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.040 -6.087 4.585 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.671 -5.764 4.956 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.064 -7.437 4.939 1.00 0.00 H new ATOM 546 N LEU A 35 -3.686 -9.271 1.606 1.00 0.00 N ATOM 547 CA LEU A 35 -4.980 -9.620 0.993 1.00 0.00 C ATOM 548 C LEU A 35 -5.518 -10.948 1.565 1.00 0.00 C ATOM 549 O LEU A 35 -6.732 -11.122 1.738 1.00 0.00 O ATOM 550 CB LEU A 35 -4.829 -9.724 -0.541 1.00 0.00 C ATOM 551 CG LEU A 35 -6.133 -9.515 -1.360 1.00 0.00 C ATOM 552 CD1 LEU A 35 -6.698 -8.086 -1.156 1.00 0.00 C ATOM 553 CD2 LEU A 35 -5.899 -9.826 -2.849 1.00 0.00 C ATOM 0 H LEU A 35 -2.896 -9.351 0.966 1.00 0.00 H new ATOM 0 HA LEU A 35 -5.695 -8.832 1.228 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.095 -8.987 -0.867 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.423 -10.706 -0.782 1.00 0.00 H new ATOM 0 HG LEU A 35 -6.882 -10.215 -0.991 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -7.610 -7.968 -1.741 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.921 -7.930 -0.101 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.960 -7.353 -1.483 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.825 -9.673 -3.403 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.128 -9.164 -3.242 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.578 -10.862 -2.958 1.00 0.00 H new ATOM 565 N GLU A 36 -4.579 -11.870 1.850 1.00 0.00 N ATOM 566 CA GLU A 36 -4.863 -13.180 2.466 1.00 0.00 C ATOM 567 C GLU A 36 -5.307 -12.994 3.933 1.00 0.00 C ATOM 568 O GLU A 36 -6.158 -13.725 4.438 1.00 0.00 O ATOM 569 CB GLU A 36 -3.596 -14.079 2.353 1.00 0.00 C ATOM 570 CG GLU A 36 -3.672 -15.452 3.049 1.00 0.00 C ATOM 571 CD GLU A 36 -4.811 -16.343 2.525 1.00 0.00 C ATOM 572 OE1 GLU A 36 -4.654 -16.947 1.447 1.00 0.00 O ATOM 573 OE2 GLU A 36 -5.858 -16.451 3.194 1.00 0.00 O ATOM 0 H GLU A 36 -3.588 -11.724 1.656 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.682 -13.672 1.941 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -3.385 -14.242 1.296 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.749 -13.531 2.767 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -2.723 -15.972 2.914 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.803 -15.301 4.120 1.00 0.00 H new ATOM 580 N TRP A 37 -4.732 -11.978 4.596 1.00 0.00 N ATOM 581 CA TRP A 37 -5.154 -11.555 5.948 1.00 0.00 C ATOM 582 C TRP A 37 -6.525 -10.843 5.900 1.00 0.00 C ATOM 583 O TRP A 37 -7.170 -10.685 6.938 1.00 0.00 O ATOM 584 CB TRP A 37 -4.079 -10.629 6.594 1.00 0.00 C ATOM 585 CG TRP A 37 -2.858 -11.358 7.120 1.00 0.00 C ATOM 586 CD1 TRP A 37 -2.237 -12.452 6.578 1.00 0.00 C ATOM 587 CD2 TRP A 37 -2.122 -11.039 8.309 1.00 0.00 C ATOM 588 NE1 TRP A 37 -1.168 -12.823 7.350 1.00 0.00 N ATOM 589 CE2 TRP A 37 -1.080 -11.976 8.421 1.00 0.00 C ATOM 590 CE3 TRP A 37 -2.251 -10.044 9.289 1.00 0.00 C ATOM 591 CZ2 TRP A 37 -0.167 -11.950 9.469 1.00 0.00 C ATOM 592 CZ3 TRP A 37 -1.345 -10.020 10.334 1.00 0.00 C ATOM 593 CH2 TRP A 37 -0.315 -10.969 10.416 1.00 0.00 C ATOM 0 H TRP A 37 -3.964 -11.426 4.215 1.00 0.00 H new ATOM 0 HA TRP A 37 -5.256 -12.448 6.565 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -3.758 -9.895 5.855 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -4.538 -10.077 7.414 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -2.546 -12.951 5.671 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -0.540 -13.603 7.158 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -3.042 -9.311 9.229 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 0.630 -12.676 9.535 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -1.432 -9.261 11.097 1.00 0.00 H new ATOM 0 HH2 TRP A 37 0.377 -10.926 11.244 1.00 0.00 H new ATOM 604 N GLY A 38 -6.937 -10.384 4.699 1.00 0.00 N ATOM 605 CA GLY A 38 -8.234 -9.724 4.501 1.00 0.00 C ATOM 606 C GLY A 38 -8.292 -8.317 5.083 1.00 0.00 C ATOM 607 O GLY A 38 -9.354 -7.694 5.107 1.00 0.00 O ATOM 0 H GLY A 38 -6.380 -10.462 3.848 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -8.450 -9.677 3.434 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.016 -10.331 4.958 1.00 0.00 H new ATOM 611 N ILE A 39 -7.125 -7.819 5.530 1.00 0.00 N ATOM 612 CA ILE A 39 -6.966 -6.461 6.088 1.00 0.00 C ATOM 613 C ILE A 39 -7.035 -5.414 4.962 1.00 0.00 C ATOM 614 O ILE A 39 -7.126 -4.218 5.239 1.00 0.00 O ATOM 615 CB ILE A 39 -5.612 -6.338 6.879 1.00 0.00 C ATOM 616 CG1 ILE A 39 -4.393 -6.549 5.921 1.00 0.00 C ATOM 617 CG2 ILE A 39 -5.581 -7.334 8.073 1.00 0.00 C ATOM 618 CD1 ILE A 39 -3.046 -6.576 6.595 1.00 0.00 C ATOM 0 H ILE A 39 -6.256 -8.353 5.514 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.782 -6.275 6.787 1.00 0.00 H new ATOM 0 HB ILE A 39 -5.539 -5.331 7.289 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.532 -7.487 5.384 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -4.394 -5.752 5.177 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.636 -7.233 8.607 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -6.406 -7.115 8.751 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -5.679 -8.353 7.699 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.268 -6.727 5.847 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.877 -5.629 7.108 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -3.017 -7.391 7.318 1.00 0.00 H new ATOM 630 N LEU A 40 -6.944 -5.886 3.694 1.00 0.00 N ATOM 631 CA LEU A 40 -7.177 -5.075 2.494 1.00 0.00 C ATOM 632 C LEU A 40 -8.505 -5.506 1.869 1.00 0.00 C ATOM 633 O LEU A 40 -8.612 -6.607 1.319 1.00 0.00 O ATOM 634 CB LEU A 40 -6.026 -5.209 1.462 1.00 0.00 C ATOM 635 CG LEU A 40 -4.591 -4.837 1.953 1.00 0.00 C ATOM 636 CD1 LEU A 40 -3.617 -4.751 0.764 1.00 0.00 C ATOM 637 CD2 LEU A 40 -4.576 -3.539 2.797 1.00 0.00 C ATOM 0 H LEU A 40 -6.703 -6.855 3.484 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.214 -4.025 2.785 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.007 -6.239 1.107 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.265 -4.581 0.604 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.254 -5.636 2.613 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.623 -4.491 1.126 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.577 -5.714 0.256 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.961 -3.987 0.067 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.556 -3.323 3.115 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.952 -2.710 2.197 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -5.209 -3.668 3.675 1.00 0.00 H new ATOM 649 N ASN A 41 -9.512 -4.644 2.009 1.00 0.00 N ATOM 650 CA ASN A 41 -10.875 -4.849 1.488 1.00 0.00 C ATOM 651 C ASN A 41 -11.293 -3.580 0.733 1.00 0.00 C ATOM 652 O ASN A 41 -10.678 -2.525 0.935 1.00 0.00 O ATOM 653 CB ASN A 41 -11.836 -5.191 2.676 1.00 0.00 C ATOM 654 CG ASN A 41 -13.295 -5.406 2.262 1.00 0.00 C ATOM 655 OD1 ASN A 41 -14.101 -4.476 2.277 1.00 0.00 O ATOM 656 ND2 ASN A 41 -13.626 -6.622 1.854 1.00 0.00 N ATOM 0 H ASN A 41 -9.405 -3.757 2.501 1.00 0.00 H new ATOM 0 HA ASN A 41 -10.919 -5.687 0.793 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -11.475 -6.091 3.173 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -11.793 -4.384 3.407 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -14.577 -6.813 1.538 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -12.930 -7.368 1.856 1.00 0.00 H new ATOM 663 N SER A 42 -12.343 -3.710 -0.112 1.00 0.00 N ATOM 664 CA SER A 42 -12.883 -2.651 -1.008 1.00 0.00 C ATOM 665 C SER A 42 -12.930 -1.253 -0.321 1.00 0.00 C ATOM 666 O SER A 42 -12.464 -0.256 -0.891 1.00 0.00 O ATOM 667 CB SER A 42 -14.314 -3.079 -1.489 1.00 0.00 C ATOM 668 OG SER A 42 -14.534 -2.905 -2.885 1.00 0.00 O ATOM 0 H SER A 42 -12.859 -4.586 -0.194 1.00 0.00 H new ATOM 0 HA SER A 42 -12.212 -2.550 -1.861 1.00 0.00 H new ATOM 0 HB2 SER A 42 -14.473 -4.127 -1.235 1.00 0.00 H new ATOM 0 HB3 SER A 42 -15.058 -2.502 -0.940 1.00 0.00 H new ATOM 673 N MET A 43 -13.417 -1.215 0.932 1.00 0.00 N ATOM 674 CA MET A 43 -13.580 0.041 1.692 1.00 0.00 C ATOM 675 C MET A 43 -12.231 0.657 2.120 1.00 0.00 C ATOM 676 O MET A 43 -12.005 1.850 1.927 1.00 0.00 O ATOM 677 CB MET A 43 -14.499 -0.180 2.922 1.00 0.00 C ATOM 678 CG MET A 43 -14.613 1.026 3.880 1.00 0.00 C ATOM 679 SD MET A 43 -14.938 2.595 3.033 1.00 0.00 S ATOM 680 CE MET A 43 -16.472 2.270 2.163 1.00 0.00 C ATOM 0 H MET A 43 -13.707 -2.047 1.445 1.00 0.00 H new ATOM 0 HA MET A 43 -14.053 0.758 1.021 1.00 0.00 H new ATOM 0 HB2 MET A 43 -15.497 -0.439 2.568 1.00 0.00 H new ATOM 0 HB3 MET A 43 -14.128 -1.037 3.484 1.00 0.00 H new ATOM 0 HG2 MET A 43 -15.413 0.837 4.596 1.00 0.00 H new ATOM 0 HG3 MET A 43 -13.689 1.115 4.451 1.00 0.00 H new ATOM 0 HE1 MET A 43 -16.790 3.170 1.637 1.00 0.00 H new ATOM 0 HE2 MET A 43 -16.319 1.464 1.445 1.00 0.00 H new ATOM 0 HE3 MET A 43 -17.241 1.978 2.878 1.00 0.00 H new ATOM 690 N ASN A 44 -11.344 -0.147 2.708 1.00 0.00 N ATOM 691 CA ASN A 44 -10.096 0.372 3.314 1.00 0.00 C ATOM 692 C ASN A 44 -8.928 0.462 2.303 1.00 0.00 C ATOM 693 O ASN A 44 -7.880 1.040 2.613 1.00 0.00 O ATOM 694 CB ASN A 44 -9.689 -0.452 4.556 1.00 0.00 C ATOM 695 CG ASN A 44 -9.270 -1.875 4.214 1.00 0.00 C ATOM 696 OD1 ASN A 44 -8.028 -2.043 3.804 1.00 0.00 O flip ATOM 697 ND2 ASN A 44 -10.068 -2.805 4.265 1.00 0.00 N flip ATOM 0 H ASN A 44 -11.457 -1.158 2.782 1.00 0.00 H new ATOM 0 HA ASN A 44 -10.313 1.391 3.633 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -8.867 0.051 5.065 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -10.525 -0.483 5.255 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -11.022 -2.641 4.587 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -9.778 -3.742 3.985 1.00 0.00 H new ATOM 704 N ILE A 45 -9.078 -0.164 1.119 1.00 0.00 N ATOM 705 CA ILE A 45 -8.022 -0.162 0.077 1.00 0.00 C ATOM 706 C ILE A 45 -7.883 1.247 -0.549 1.00 0.00 C ATOM 707 O ILE A 45 -6.787 1.653 -0.958 1.00 0.00 O ATOM 708 CB ILE A 45 -8.308 -1.247 -1.031 1.00 0.00 C ATOM 709 CG1 ILE A 45 -7.058 -1.475 -1.934 1.00 0.00 C ATOM 710 CG2 ILE A 45 -9.551 -0.887 -1.889 1.00 0.00 C ATOM 711 CD1 ILE A 45 -7.204 -2.608 -2.934 1.00 0.00 C ATOM 0 H ILE A 45 -9.919 -0.679 0.857 1.00 0.00 H new ATOM 0 HA ILE A 45 -7.077 -0.422 0.553 1.00 0.00 H new ATOM 0 HB ILE A 45 -8.528 -2.180 -0.513 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -6.844 -0.554 -2.476 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -6.197 -1.678 -1.297 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -9.712 -1.661 -2.640 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -10.429 -0.817 -1.246 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -9.387 0.070 -2.384 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.289 -2.696 -3.520 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -7.386 -3.542 -2.402 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -8.042 -2.400 -3.599 1.00 0.00 H new ATOM 723 N VAL A 46 -9.008 1.991 -0.590 1.00 0.00 N ATOM 724 CA VAL A 46 -9.039 3.378 -1.083 1.00 0.00 C ATOM 725 C VAL A 46 -8.383 4.339 -0.064 1.00 0.00 C ATOM 726 O VAL A 46 -7.923 5.423 -0.438 1.00 0.00 O ATOM 727 CB VAL A 46 -10.500 3.854 -1.443 1.00 0.00 C ATOM 728 CG1 VAL A 46 -11.148 2.924 -2.503 1.00 0.00 C ATOM 729 CG2 VAL A 46 -11.396 3.990 -0.183 1.00 0.00 C ATOM 0 H VAL A 46 -9.917 1.645 -0.282 1.00 0.00 H new ATOM 0 HA VAL A 46 -8.460 3.401 -2.006 1.00 0.00 H new ATOM 0 HB VAL A 46 -10.415 4.849 -1.880 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -12.154 3.277 -2.731 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -10.546 2.933 -3.412 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -11.200 1.908 -2.112 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -12.392 4.320 -0.479 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -11.467 3.025 0.319 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -10.959 4.721 0.497 1.00 0.00 H new ATOM 739 N LYS A 47 -8.328 3.910 1.222 1.00 0.00 N ATOM 740 CA LYS A 47 -7.599 4.625 2.288 1.00 0.00 C ATOM 741 C LYS A 47 -6.095 4.615 1.983 1.00 0.00 C ATOM 742 O LYS A 47 -5.386 5.584 2.267 1.00 0.00 O ATOM 743 CB LYS A 47 -7.864 3.992 3.688 1.00 0.00 C ATOM 744 CG LYS A 47 -9.359 3.827 4.058 1.00 0.00 C ATOM 745 CD LYS A 47 -10.132 5.161 4.083 1.00 0.00 C ATOM 746 CE LYS A 47 -9.598 6.148 5.137 1.00 0.00 C ATOM 747 NZ LYS A 47 -10.289 7.456 5.069 1.00 0.00 N ATOM 0 H LYS A 47 -8.789 3.059 1.544 1.00 0.00 H new ATOM 0 HA LYS A 47 -7.961 5.653 2.314 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -7.386 3.013 3.724 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -7.383 4.610 4.447 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -9.831 3.155 3.342 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -9.434 3.353 5.037 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -10.076 5.625 3.098 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -11.185 4.960 4.282 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -9.726 5.721 6.132 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -8.528 6.294 4.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -9.901 8.092 5.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -10.146 7.876 4.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -11.306 7.320 5.236 1.00 0.00 H new ATOM 761 N LEU A 48 -5.621 3.496 1.401 1.00 0.00 N ATOM 762 CA LEU A 48 -4.245 3.386 0.920 1.00 0.00 C ATOM 763 C LEU A 48 -4.039 4.298 -0.308 1.00 0.00 C ATOM 764 O LEU A 48 -3.100 5.080 -0.318 1.00 0.00 O ATOM 765 CB LEU A 48 -3.870 1.909 0.614 1.00 0.00 C ATOM 766 CG LEU A 48 -3.791 0.955 1.855 1.00 0.00 C ATOM 767 CD1 LEU A 48 -3.345 -0.468 1.452 1.00 0.00 C ATOM 768 CD2 LEU A 48 -2.872 1.533 2.963 1.00 0.00 C ATOM 0 H LEU A 48 -6.181 2.656 1.256 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.572 3.724 1.708 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.602 1.505 -0.085 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.905 1.896 0.107 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.798 0.882 2.265 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.302 -1.101 2.339 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.059 -0.886 0.742 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.359 -0.423 0.990 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.842 0.844 3.807 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.865 1.666 2.568 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.262 2.495 3.294 1.00 0.00 H new ATOM 780 N MET A 49 -4.958 4.242 -1.298 1.00 0.00 N ATOM 781 CA MET A 49 -4.855 5.061 -2.545 1.00 0.00 C ATOM 782 C MET A 49 -4.643 6.563 -2.239 1.00 0.00 C ATOM 783 O MET A 49 -3.784 7.209 -2.847 1.00 0.00 O ATOM 784 CB MET A 49 -6.120 4.902 -3.422 1.00 0.00 C ATOM 785 CG MET A 49 -6.430 3.471 -3.853 1.00 0.00 C ATOM 786 SD MET A 49 -8.020 3.367 -4.703 1.00 0.00 S ATOM 787 CE MET A 49 -8.358 1.617 -4.602 1.00 0.00 C ATOM 0 H MET A 49 -5.782 3.641 -1.266 1.00 0.00 H new ATOM 0 HA MET A 49 -3.984 4.689 -3.085 1.00 0.00 H new ATOM 0 HB2 MET A 49 -6.976 5.294 -2.873 1.00 0.00 H new ATOM 0 HB3 MET A 49 -6.005 5.517 -4.314 1.00 0.00 H new ATOM 0 HG2 MET A 49 -5.640 3.109 -4.511 1.00 0.00 H new ATOM 0 HG3 MET A 49 -6.440 2.820 -2.979 1.00 0.00 H new ATOM 0 HE1 MET A 49 -8.855 1.289 -5.515 1.00 0.00 H new ATOM 0 HE2 MET A 49 -7.422 1.072 -4.483 1.00 0.00 H new ATOM 0 HE3 MET A 49 -9.004 1.420 -3.746 1.00 0.00 H new ATOM 797 N VAL A 50 -5.422 7.081 -1.265 1.00 0.00 N ATOM 798 CA VAL A 50 -5.359 8.499 -0.841 1.00 0.00 C ATOM 799 C VAL A 50 -4.083 8.796 -0.006 1.00 0.00 C ATOM 800 O VAL A 50 -3.555 9.916 -0.048 1.00 0.00 O ATOM 801 CB VAL A 50 -6.652 8.944 -0.042 1.00 0.00 C ATOM 802 CG1 VAL A 50 -7.935 8.700 -0.876 1.00 0.00 C ATOM 803 CG2 VAL A 50 -6.751 8.251 1.339 1.00 0.00 C ATOM 0 H VAL A 50 -6.111 6.531 -0.751 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.313 9.087 -1.758 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.561 10.015 0.140 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -8.807 9.015 -0.303 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -7.882 9.274 -1.801 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -8.019 7.639 -1.112 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.653 8.587 1.851 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.792 7.170 1.202 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.877 8.507 1.938 1.00 0.00 H new ATOM 813 N TYR A 51 -3.600 7.779 0.736 1.00 0.00 N ATOM 814 CA TYR A 51 -2.393 7.893 1.579 1.00 0.00 C ATOM 815 C TYR A 51 -1.138 8.059 0.703 1.00 0.00 C ATOM 816 O TYR A 51 -0.347 8.981 0.909 1.00 0.00 O ATOM 817 CB TYR A 51 -2.260 6.645 2.483 1.00 0.00 C ATOM 818 CG TYR A 51 -1.007 6.636 3.370 1.00 0.00 C ATOM 819 CD1 TYR A 51 -0.928 7.453 4.502 1.00 0.00 C ATOM 820 CD2 TYR A 51 0.088 5.815 3.073 1.00 0.00 C ATOM 821 CE1 TYR A 51 0.188 7.445 5.307 1.00 0.00 C ATOM 822 CE2 TYR A 51 1.203 5.811 3.874 1.00 0.00 C ATOM 823 CZ TYR A 51 1.248 6.626 4.993 1.00 0.00 C ATOM 824 OH TYR A 51 2.359 6.629 5.797 1.00 0.00 O ATOM 0 H TYR A 51 -4.035 6.857 0.768 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.488 8.776 2.211 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -3.142 6.577 3.120 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -2.252 5.755 1.854 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.756 8.101 4.749 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.055 5.177 2.202 1.00 0.00 H new ATOM 0 HE1 TYR A 51 0.232 8.078 6.181 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.042 5.175 3.633 1.00 0.00 H new ATOM 0 HH TYR A 51 2.865 7.456 5.653 1.00 0.00 H new ATOM 834 N ILE A 52 -0.975 7.143 -0.270 1.00 0.00 N ATOM 835 CA ILE A 52 0.125 7.177 -1.257 1.00 0.00 C ATOM 836 C ILE A 52 0.015 8.466 -2.122 1.00 0.00 C ATOM 837 O ILE A 52 1.032 9.058 -2.483 1.00 0.00 O ATOM 838 CB ILE A 52 0.143 5.869 -2.175 1.00 0.00 C ATOM 839 CG1 ILE A 52 0.602 4.577 -1.397 1.00 0.00 C ATOM 840 CG2 ILE A 52 1.035 6.050 -3.428 1.00 0.00 C ATOM 841 CD1 ILE A 52 -0.330 4.048 -0.331 1.00 0.00 C ATOM 0 H ILE A 52 -1.607 6.352 -0.396 1.00 0.00 H new ATOM 0 HA ILE A 52 1.070 7.193 -0.713 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.892 5.729 -2.488 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.767 3.784 -2.126 1.00 0.00 H new ATOM 0 HG13 ILE A 52 1.565 4.787 -0.931 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.017 5.136 -4.022 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.658 6.879 -4.026 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.058 6.262 -3.119 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.106 3.159 0.125 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.479 4.811 0.433 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.289 3.792 -0.781 1.00 0.00 H new ATOM 853 N ARG A 53 -1.233 8.906 -2.401 1.00 0.00 N ATOM 854 CA ARG A 53 -1.518 10.135 -3.179 1.00 0.00 C ATOM 855 C ARG A 53 -0.950 11.401 -2.493 1.00 0.00 C ATOM 856 O ARG A 53 -0.631 12.390 -3.163 1.00 0.00 O ATOM 857 CB ARG A 53 -3.044 10.268 -3.408 1.00 0.00 C ATOM 858 CG ARG A 53 -3.473 11.475 -4.265 1.00 0.00 C ATOM 859 CD ARG A 53 -4.992 11.568 -4.430 1.00 0.00 C ATOM 860 NE ARG A 53 -5.384 12.750 -5.208 1.00 0.00 N ATOM 861 CZ ARG A 53 -6.240 12.755 -6.246 1.00 0.00 C ATOM 862 NH1 ARG A 53 -6.816 11.630 -6.655 1.00 0.00 N ATOM 863 NH2 ARG A 53 -6.519 13.890 -6.858 1.00 0.00 N ATOM 0 H ARG A 53 -2.074 8.418 -2.092 1.00 0.00 H new ATOM 0 HA ARG A 53 -1.017 10.047 -4.143 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -3.405 9.357 -3.885 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -3.537 10.337 -2.438 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.104 12.392 -3.805 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -3.008 11.402 -5.248 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -5.360 10.669 -4.924 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -5.463 11.607 -3.448 1.00 0.00 H new ATOM 0 HE ARG A 53 -4.972 13.643 -4.939 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -6.611 10.750 -6.181 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -7.463 11.646 -7.443 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -6.086 14.759 -6.544 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -7.167 13.899 -7.645 1.00 0.00 H new ATOM 877 N ASP A 54 -0.827 11.355 -1.161 1.00 0.00 N ATOM 878 CA ASP A 54 -0.208 12.443 -0.382 1.00 0.00 C ATOM 879 C ASP A 54 1.313 12.211 -0.241 1.00 0.00 C ATOM 880 O ASP A 54 2.122 13.034 -0.686 1.00 0.00 O ATOM 881 CB ASP A 54 -0.877 12.538 1.016 1.00 0.00 C ATOM 882 CG ASP A 54 -0.174 13.537 1.958 1.00 0.00 C ATOM 883 OD1 ASP A 54 -0.172 14.750 1.653 1.00 0.00 O ATOM 884 OD2 ASP A 54 0.402 13.117 2.983 1.00 0.00 O ATOM 0 H ASP A 54 -1.150 10.571 -0.593 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.360 13.385 -0.909 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.919 12.835 0.894 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.879 11.551 1.479 1.00 0.00 H new ATOM 889 N GLU A 55 1.662 11.064 0.361 1.00 0.00 N ATOM 890 CA GLU A 55 3.042 10.713 0.759 1.00 0.00 C ATOM 891 C GLU A 55 3.977 10.546 -0.457 1.00 0.00 C ATOM 892 O GLU A 55 5.002 11.230 -0.549 1.00 0.00 O ATOM 893 CB GLU A 55 3.001 9.416 1.613 1.00 0.00 C ATOM 894 CG GLU A 55 2.312 9.567 2.993 1.00 0.00 C ATOM 895 CD GLU A 55 3.270 9.993 4.124 1.00 0.00 C ATOM 896 OE1 GLU A 55 3.806 11.116 4.089 1.00 0.00 O ATOM 897 OE2 GLU A 55 3.509 9.192 5.052 1.00 0.00 O ATOM 0 H GLU A 55 0.983 10.338 0.591 1.00 0.00 H new ATOM 0 HA GLU A 55 3.453 11.533 1.348 1.00 0.00 H new ATOM 0 HB2 GLU A 55 2.483 8.642 1.047 1.00 0.00 H new ATOM 0 HB3 GLU A 55 4.022 9.068 1.769 1.00 0.00 H new ATOM 0 HG2 GLU A 55 1.512 10.303 2.911 1.00 0.00 H new ATOM 0 HG3 GLU A 55 1.846 8.619 3.262 1.00 0.00 H new ATOM 904 N MET A 56 3.621 9.629 -1.372 1.00 0.00 N ATOM 905 CA MET A 56 4.385 9.398 -2.621 1.00 0.00 C ATOM 906 C MET A 56 3.952 10.377 -3.736 1.00 0.00 C ATOM 907 O MET A 56 4.681 10.561 -4.713 1.00 0.00 O ATOM 908 CB MET A 56 4.218 7.929 -3.109 1.00 0.00 C ATOM 909 CG MET A 56 5.044 6.867 -2.351 1.00 0.00 C ATOM 910 SD MET A 56 4.039 5.596 -1.550 1.00 0.00 S ATOM 911 CE MET A 56 3.705 6.334 0.041 1.00 0.00 C ATOM 0 H MET A 56 2.803 9.028 -1.273 1.00 0.00 H new ATOM 0 HA MET A 56 5.437 9.578 -2.397 1.00 0.00 H new ATOM 0 HB2 MET A 56 3.164 7.661 -3.037 1.00 0.00 H new ATOM 0 HB3 MET A 56 4.487 7.885 -4.164 1.00 0.00 H new ATOM 0 HG2 MET A 56 5.730 6.388 -3.049 1.00 0.00 H new ATOM 0 HG3 MET A 56 5.653 7.365 -1.596 1.00 0.00 H new ATOM 0 HE1 MET A 56 2.655 6.189 0.296 1.00 0.00 H new ATOM 0 HE2 MET A 56 4.331 5.863 0.799 1.00 0.00 H new ATOM 0 HE3 MET A 56 3.925 7.401 0.000 1.00 0.00 H new ATOM 921 N GLY A 57 2.751 10.972 -3.590 1.00 0.00 N ATOM 922 CA GLY A 57 2.171 11.853 -4.610 1.00 0.00 C ATOM 923 C GLY A 57 1.558 11.082 -5.776 1.00 0.00 C ATOM 924 O GLY A 57 1.395 11.633 -6.870 1.00 0.00 O ATOM 0 H GLY A 57 2.163 10.853 -2.765 1.00 0.00 H new ATOM 0 HA2 GLY A 57 1.405 12.478 -4.151 1.00 0.00 H new ATOM 0 HA3 GLY A 57 2.944 12.522 -4.989 1.00 0.00 H new ATOM 928 N VAL A 58 1.191 9.803 -5.530 1.00 0.00 N ATOM 929 CA VAL A 58 0.758 8.853 -6.580 1.00 0.00 C ATOM 930 C VAL A 58 -0.664 8.334 -6.284 1.00 0.00 C ATOM 931 O VAL A 58 -0.913 7.754 -5.226 1.00 0.00 O ATOM 932 CB VAL A 58 1.746 7.629 -6.678 1.00 0.00 C ATOM 933 CG1 VAL A 58 1.334 6.647 -7.808 1.00 0.00 C ATOM 934 CG2 VAL A 58 3.211 8.104 -6.840 1.00 0.00 C ATOM 0 H VAL A 58 1.187 9.400 -4.593 1.00 0.00 H new ATOM 0 HA VAL A 58 0.761 9.387 -7.530 1.00 0.00 H new ATOM 0 HB VAL A 58 1.680 7.079 -5.739 1.00 0.00 H new ATOM 0 HG11 VAL A 58 2.039 5.817 -7.844 1.00 0.00 H new ATOM 0 HG12 VAL A 58 0.333 6.264 -7.610 1.00 0.00 H new ATOM 0 HG13 VAL A 58 1.340 7.170 -8.764 1.00 0.00 H new ATOM 0 HG21 VAL A 58 3.869 7.238 -6.905 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.302 8.698 -7.749 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.494 8.711 -5.980 1.00 0.00 H new ATOM 944 N SER A 59 -1.582 8.551 -7.224 1.00 0.00 N ATOM 945 CA SER A 59 -2.944 8.005 -7.155 1.00 0.00 C ATOM 946 C SER A 59 -2.972 6.636 -7.869 1.00 0.00 C ATOM 947 O SER A 59 -2.544 6.530 -9.022 1.00 0.00 O ATOM 948 CB SER A 59 -3.941 9.007 -7.799 1.00 0.00 C ATOM 949 OG SER A 59 -3.548 9.388 -9.113 1.00 0.00 O ATOM 0 H SER A 59 -1.406 9.111 -8.058 1.00 0.00 H new ATOM 0 HA SER A 59 -3.244 7.859 -6.117 1.00 0.00 H new ATOM 0 HB2 SER A 59 -4.933 8.557 -7.835 1.00 0.00 H new ATOM 0 HB3 SER A 59 -4.016 9.896 -7.172 1.00 0.00 H new ATOM 0 HG SER A 59 -3.040 8.659 -9.527 1.00 0.00 H new ATOM 955 N ILE A 60 -3.423 5.578 -7.156 1.00 0.00 N ATOM 956 CA ILE A 60 -3.544 4.232 -7.738 1.00 0.00 C ATOM 957 C ILE A 60 -4.981 4.090 -8.288 1.00 0.00 C ATOM 958 O ILE A 60 -5.938 4.084 -7.496 1.00 0.00 O ATOM 959 CB ILE A 60 -3.241 3.046 -6.721 1.00 0.00 C ATOM 960 CG1 ILE A 60 -1.855 3.216 -5.993 1.00 0.00 C ATOM 961 CG2 ILE A 60 -3.301 1.675 -7.459 1.00 0.00 C ATOM 962 CD1 ILE A 60 -1.838 4.229 -4.861 1.00 0.00 C ATOM 0 H ILE A 60 -3.707 5.636 -6.178 1.00 0.00 H new ATOM 0 HA ILE A 60 -2.788 4.143 -8.518 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.012 3.078 -5.951 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.550 2.247 -5.597 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.108 3.508 -6.732 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -3.092 0.872 -6.752 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -4.294 1.534 -7.885 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.559 1.659 -8.257 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -0.840 4.271 -4.426 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.107 5.212 -5.248 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.555 3.932 -4.096 1.00 0.00 H new ATOM 974 N PRO A 61 -5.161 4.008 -9.646 1.00 0.00 N ATOM 975 CA PRO A 61 -6.503 3.832 -10.251 1.00 0.00 C ATOM 976 C PRO A 61 -7.071 2.415 -10.007 1.00 0.00 C ATOM 977 O PRO A 61 -6.312 1.467 -9.757 1.00 0.00 O ATOM 978 CB PRO A 61 -6.247 4.102 -11.754 1.00 0.00 C ATOM 979 CG PRO A 61 -4.812 3.722 -11.972 1.00 0.00 C ATOM 980 CD PRO A 61 -4.095 4.089 -10.684 1.00 0.00 C ATOM 0 HA PRO A 61 -7.252 4.496 -9.820 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -6.913 3.510 -12.381 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -6.421 5.149 -12.003 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -4.716 2.657 -12.185 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -4.389 4.257 -12.823 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -3.277 3.400 -10.472 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -3.664 5.089 -10.737 1.00 0.00 H new ATOM 988 N SER A 62 -8.408 2.290 -10.122 1.00 0.00 N ATOM 989 CA SER A 62 -9.137 1.036 -9.845 1.00 0.00 C ATOM 990 C SER A 62 -8.823 -0.045 -10.904 1.00 0.00 C ATOM 991 O SER A 62 -8.881 -1.248 -10.615 1.00 0.00 O ATOM 992 CB SER A 62 -10.655 1.311 -9.752 1.00 0.00 C ATOM 993 OG SER A 62 -11.149 1.938 -10.924 1.00 0.00 O ATOM 0 H SER A 62 -9.014 3.058 -10.410 1.00 0.00 H new ATOM 0 HA SER A 62 -8.799 0.648 -8.884 1.00 0.00 H new ATOM 0 HB2 SER A 62 -11.185 0.372 -9.591 1.00 0.00 H new ATOM 0 HB3 SER A 62 -10.858 1.944 -8.888 1.00 0.00 H new ATOM 0 HG SER A 62 -12.112 2.095 -10.830 1.00 0.00 H new ATOM 999 N THR A 63 -8.454 0.409 -12.120 1.00 0.00 N ATOM 1000 CA THR A 63 -8.032 -0.466 -13.227 1.00 0.00 C ATOM 1001 C THR A 63 -6.651 -1.108 -12.933 1.00 0.00 C ATOM 1002 O THR A 63 -6.318 -2.159 -13.487 1.00 0.00 O ATOM 1003 CB THR A 63 -7.985 0.334 -14.583 1.00 0.00 C ATOM 1004 OG1 THR A 63 -7.644 -0.537 -15.674 1.00 0.00 O ATOM 1005 CG2 THR A 63 -6.988 1.507 -14.539 1.00 0.00 C ATOM 0 H THR A 63 -8.441 1.400 -12.360 1.00 0.00 H new ATOM 0 HA THR A 63 -8.768 -1.265 -13.320 1.00 0.00 H new ATOM 0 HB THR A 63 -8.983 0.745 -14.735 1.00 0.00 H new ATOM 0 HG1 THR A 63 -7.621 -0.023 -16.508 1.00 0.00 H new ATOM 0 HG21 THR A 63 -6.994 2.026 -15.498 1.00 0.00 H new ATOM 0 HG22 THR A 63 -7.277 2.201 -13.749 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.987 1.126 -14.339 1.00 0.00 H new ATOM 1013 N HIS A 64 -5.855 -0.456 -12.053 1.00 0.00 N ATOM 1014 CA HIS A 64 -4.520 -0.943 -11.638 1.00 0.00 C ATOM 1015 C HIS A 64 -4.629 -1.810 -10.376 1.00 0.00 C ATOM 1016 O HIS A 64 -3.636 -2.414 -9.960 1.00 0.00 O ATOM 1017 CB HIS A 64 -3.531 0.255 -11.405 1.00 0.00 C ATOM 1018 CG HIS A 64 -2.343 0.238 -12.329 1.00 0.00 C ATOM 1019 ND1 HIS A 64 -2.303 0.928 -13.517 1.00 0.00 N ATOM 1020 CD2 HIS A 64 -1.160 -0.416 -12.242 1.00 0.00 C ATOM 1021 CE1 HIS A 64 -1.158 0.696 -14.121 1.00 0.00 C ATOM 1022 NE2 HIS A 64 -0.444 -0.113 -13.372 1.00 0.00 N ATOM 0 H HIS A 64 -6.122 0.424 -11.611 1.00 0.00 H new ATOM 0 HA HIS A 64 -4.119 -1.558 -12.444 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -4.071 1.193 -11.536 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -3.180 0.231 -10.373 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -0.840 -1.057 -11.434 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -0.855 1.103 -15.074 1.00 0.00 H new ATOM 0 HE2 HIS A 64 0.489 -0.459 -13.594 1.00 0.00 H new ATOM 1031 N ILE A 65 -5.826 -1.854 -9.765 1.00 0.00 N ATOM 1032 CA ILE A 65 -6.069 -2.681 -8.585 1.00 0.00 C ATOM 1033 C ILE A 65 -6.307 -4.113 -9.049 1.00 0.00 C ATOM 1034 O ILE A 65 -7.179 -4.367 -9.883 1.00 0.00 O ATOM 1035 CB ILE A 65 -7.293 -2.226 -7.713 1.00 0.00 C ATOM 1036 CG1 ILE A 65 -7.198 -0.717 -7.348 1.00 0.00 C ATOM 1037 CG2 ILE A 65 -7.394 -3.105 -6.431 1.00 0.00 C ATOM 1038 CD1 ILE A 65 -5.998 -0.334 -6.521 1.00 0.00 C ATOM 0 H ILE A 65 -6.639 -1.322 -10.076 1.00 0.00 H new ATOM 0 HA ILE A 65 -5.189 -2.585 -7.949 1.00 0.00 H new ATOM 0 HB ILE A 65 -8.201 -2.362 -8.301 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -7.185 -0.136 -8.270 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -8.100 -0.433 -6.805 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -8.246 -2.781 -5.834 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -7.526 -4.149 -6.715 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -6.480 -3.001 -5.846 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.022 0.737 -6.319 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -6.016 -0.881 -5.579 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.087 -0.580 -7.066 1.00 0.00 H new ATOM 1050 N THR A 66 -5.496 -5.009 -8.525 1.00 0.00 N ATOM 1051 CA THR A 66 -5.623 -6.440 -8.736 1.00 0.00 C ATOM 1052 C THR A 66 -5.031 -7.155 -7.519 1.00 0.00 C ATOM 1053 O THR A 66 -4.199 -6.587 -6.789 1.00 0.00 O ATOM 1054 CB THR A 66 -4.937 -6.899 -10.082 1.00 0.00 C ATOM 1055 OG1 THR A 66 -4.886 -8.335 -10.164 1.00 0.00 O ATOM 1056 CG2 THR A 66 -3.525 -6.318 -10.246 1.00 0.00 C ATOM 0 H THR A 66 -4.710 -4.758 -7.925 1.00 0.00 H new ATOM 0 HA THR A 66 -6.676 -6.704 -8.838 1.00 0.00 H new ATOM 0 HB THR A 66 -5.551 -6.511 -10.895 1.00 0.00 H new ATOM 0 HG1 THR A 66 -4.459 -8.600 -11.006 1.00 0.00 H new ATOM 0 HG21 THR A 66 -3.096 -6.663 -11.187 1.00 0.00 H new ATOM 0 HG22 THR A 66 -3.578 -5.229 -10.249 1.00 0.00 H new ATOM 0 HG23 THR A 66 -2.897 -6.648 -9.418 1.00 0.00 H new ATOM 1064 N GLY A 67 -5.468 -8.407 -7.314 1.00 0.00 N ATOM 1065 CA GLY A 67 -5.021 -9.225 -6.195 1.00 0.00 C ATOM 1066 C GLY A 67 -3.563 -9.664 -6.297 1.00 0.00 C ATOM 1067 O GLY A 67 -3.042 -10.280 -5.374 1.00 0.00 O ATOM 0 H GLY A 67 -6.140 -8.873 -7.923 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -5.158 -8.665 -5.270 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -5.654 -10.110 -6.129 1.00 0.00 H new ATOM 1071 N LYS A 68 -2.925 -9.354 -7.438 1.00 0.00 N ATOM 1072 CA LYS A 68 -1.484 -9.537 -7.644 1.00 0.00 C ATOM 1073 C LYS A 68 -0.679 -8.478 -6.871 1.00 0.00 C ATOM 1074 O LYS A 68 0.305 -8.802 -6.198 1.00 0.00 O ATOM 1075 CB LYS A 68 -1.152 -9.449 -9.159 1.00 0.00 C ATOM 1076 CG LYS A 68 -1.878 -10.501 -10.025 1.00 0.00 C ATOM 1077 CD LYS A 68 -1.600 -10.341 -11.535 1.00 0.00 C ATOM 1078 CE LYS A 68 -0.107 -10.449 -11.891 1.00 0.00 C ATOM 1079 NZ LYS A 68 0.117 -10.304 -13.344 1.00 0.00 N ATOM 0 H LYS A 68 -3.403 -8.965 -8.251 1.00 0.00 H new ATOM 0 HA LYS A 68 -1.206 -10.522 -7.268 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -1.413 -8.454 -9.520 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -0.076 -9.564 -9.292 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -1.570 -11.498 -9.709 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -2.951 -10.428 -9.850 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -2.154 -11.104 -12.083 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -1.977 -9.374 -11.867 1.00 0.00 H new ATOM 0 HE2 LYS A 68 0.451 -9.680 -11.358 1.00 0.00 H new ATOM 0 HE3 LYS A 68 0.279 -11.412 -11.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 1.134 -10.382 -13.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -0.396 -11.053 -13.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -0.229 -9.375 -13.657 1.00 0.00 H new ATOM 1093 N TYR A 69 -1.123 -7.208 -6.978 1.00 0.00 N ATOM 1094 CA TYR A 69 -0.422 -6.057 -6.383 1.00 0.00 C ATOM 1095 C TYR A 69 -0.752 -5.915 -4.895 1.00 0.00 C ATOM 1096 O TYR A 69 0.141 -5.798 -4.065 1.00 0.00 O ATOM 1097 CB TYR A 69 -0.755 -4.749 -7.153 1.00 0.00 C ATOM 1098 CG TYR A 69 -0.256 -4.726 -8.611 1.00 0.00 C ATOM 1099 CD1 TYR A 69 0.925 -5.381 -8.990 1.00 0.00 C ATOM 1100 CD2 TYR A 69 -0.962 -4.044 -9.607 1.00 0.00 C ATOM 1101 CE1 TYR A 69 1.368 -5.361 -10.297 1.00 0.00 C ATOM 1102 CE2 TYR A 69 -0.520 -4.024 -10.914 1.00 0.00 C ATOM 1103 CZ TYR A 69 0.644 -4.683 -11.252 1.00 0.00 C ATOM 1104 OH TYR A 69 1.084 -4.663 -12.558 1.00 0.00 O ATOM 0 H TYR A 69 -1.975 -6.955 -7.478 1.00 0.00 H new ATOM 0 HA TYR A 69 0.649 -6.238 -6.469 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -1.835 -4.604 -7.149 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -0.318 -3.905 -6.619 1.00 0.00 H new ATOM 0 HD1 TYR A 69 1.499 -5.911 -8.245 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -1.872 -3.522 -9.348 1.00 0.00 H new ATOM 0 HE1 TYR A 69 2.278 -5.875 -10.569 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -1.083 -3.495 -11.669 1.00 0.00 H new ATOM 0 HH TYR A 69 0.460 -4.143 -13.106 1.00 0.00 H new ATOM 1114 N PHE A 70 -2.032 -5.976 -4.535 1.00 0.00 N ATOM 1115 CA PHE A 70 -2.452 -5.809 -3.124 1.00 0.00 C ATOM 1116 C PHE A 70 -2.453 -7.151 -2.364 1.00 0.00 C ATOM 1117 O PHE A 70 -3.061 -7.271 -1.306 1.00 0.00 O ATOM 1118 CB PHE A 70 -3.799 -5.049 -3.067 1.00 0.00 C ATOM 1119 CG PHE A 70 -3.618 -3.557 -3.396 1.00 0.00 C ATOM 1120 CD1 PHE A 70 -3.453 -3.128 -4.715 1.00 0.00 C ATOM 1121 CD2 PHE A 70 -3.558 -2.597 -2.380 1.00 0.00 C ATOM 1122 CE1 PHE A 70 -3.233 -1.793 -5.005 1.00 0.00 C ATOM 1123 CE2 PHE A 70 -3.350 -1.261 -2.676 1.00 0.00 C ATOM 1124 CZ PHE A 70 -3.186 -0.859 -3.986 1.00 0.00 C ATOM 0 H PHE A 70 -2.800 -6.138 -5.187 1.00 0.00 H new ATOM 0 HA PHE A 70 -1.720 -5.196 -2.597 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -4.500 -5.496 -3.772 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -4.235 -5.153 -2.074 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -3.498 -3.848 -5.519 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -3.676 -2.903 -1.351 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -3.098 -1.480 -6.030 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -3.316 -0.532 -1.880 1.00 0.00 H new ATOM 0 HZ PHE A 70 -3.021 0.183 -4.215 1.00 0.00 H new ATOM 1134 N LYS A 71 -1.676 -8.113 -2.899 1.00 0.00 N ATOM 1135 CA LYS A 71 -1.405 -9.417 -2.284 1.00 0.00 C ATOM 1136 C LYS A 71 -0.559 -9.228 -1.024 1.00 0.00 C ATOM 1137 O LYS A 71 -0.899 -9.729 0.049 1.00 0.00 O ATOM 1138 CB LYS A 71 -0.655 -10.293 -3.313 1.00 0.00 C ATOM 1139 CG LYS A 71 -0.189 -11.672 -2.806 1.00 0.00 C ATOM 1140 CD LYS A 71 0.506 -12.496 -3.917 1.00 0.00 C ATOM 1141 CE LYS A 71 1.694 -11.752 -4.570 1.00 0.00 C ATOM 1142 NZ LYS A 71 2.780 -11.468 -3.598 1.00 0.00 N ATOM 0 H LYS A 71 -1.208 -7.996 -3.798 1.00 0.00 H new ATOM 0 HA LYS A 71 -2.338 -9.904 -1.999 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -1.304 -10.444 -4.175 1.00 0.00 H new ATOM 0 HB3 LYS A 71 0.218 -9.742 -3.664 1.00 0.00 H new ATOM 0 HG2 LYS A 71 0.499 -11.537 -1.971 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -1.047 -12.227 -2.426 1.00 0.00 H new ATOM 0 HD2 LYS A 71 0.861 -13.436 -3.495 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -0.225 -12.747 -4.686 1.00 0.00 H new ATOM 0 HE2 LYS A 71 2.090 -12.352 -5.390 1.00 0.00 H new ATOM 0 HE3 LYS A 71 1.341 -10.815 -5.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 3.702 -11.622 -4.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 2.712 -10.480 -3.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 2.688 -12.102 -2.779 1.00 0.00 H new ATOM 1156 N ASP A 72 0.533 -8.461 -1.183 1.00 0.00 N ATOM 1157 CA ASP A 72 1.451 -8.112 -0.099 1.00 0.00 C ATOM 1158 C ASP A 72 2.056 -6.736 -0.401 1.00 0.00 C ATOM 1159 O ASP A 72 1.837 -6.175 -1.478 1.00 0.00 O ATOM 1160 CB ASP A 72 2.566 -9.193 0.107 1.00 0.00 C ATOM 1161 CG ASP A 72 3.782 -9.041 -0.820 1.00 0.00 C ATOM 1162 OD1 ASP A 72 3.675 -9.362 -2.021 1.00 0.00 O ATOM 1163 OD2 ASP A 72 4.850 -8.596 -0.343 1.00 0.00 O ATOM 0 H ASP A 72 0.802 -8.063 -2.083 1.00 0.00 H new ATOM 0 HA ASP A 72 0.895 -8.076 0.838 1.00 0.00 H new ATOM 0 HB2 ASP A 72 2.907 -9.152 1.142 1.00 0.00 H new ATOM 0 HB3 ASP A 72 2.130 -10.180 -0.046 1.00 0.00 H new ATOM 1168 N LEU A 73 2.853 -6.231 0.535 1.00 0.00 N ATOM 1169 CA LEU A 73 3.360 -4.857 0.501 1.00 0.00 C ATOM 1170 C LEU A 73 4.431 -4.639 -0.590 1.00 0.00 C ATOM 1171 O LEU A 73 4.461 -3.561 -1.191 1.00 0.00 O ATOM 1172 CB LEU A 73 3.907 -4.490 1.887 1.00 0.00 C ATOM 1173 CG LEU A 73 4.484 -3.056 2.019 1.00 0.00 C ATOM 1174 CD1 LEU A 73 3.414 -1.986 1.737 1.00 0.00 C ATOM 1175 CD2 LEU A 73 5.147 -2.868 3.381 1.00 0.00 C ATOM 0 H LEU A 73 3.169 -6.764 1.345 1.00 0.00 H new ATOM 0 HA LEU A 73 2.530 -4.200 0.242 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.107 -4.610 2.617 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.688 -5.203 2.150 1.00 0.00 H new ATOM 0 HG LEU A 73 5.255 -2.927 1.259 1.00 0.00 H new ATOM 0 HD11 LEU A 73 3.855 -0.995 1.839 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.033 -2.111 0.724 1.00 0.00 H new ATOM 0 HD13 LEU A 73 2.595 -2.094 2.449 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.546 -1.856 3.455 1.00 0.00 H new ATOM 0 HD22 LEU A 73 4.411 -3.026 4.169 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.959 -3.587 3.493 1.00 0.00 H new ATOM 1187 N ASN A 74 5.300 -5.643 -0.843 1.00 0.00 N ATOM 1188 CA ASN A 74 6.298 -5.566 -1.946 1.00 0.00 C ATOM 1189 C ASN A 74 5.586 -5.418 -3.294 1.00 0.00 C ATOM 1190 O ASN A 74 6.016 -4.636 -4.157 1.00 0.00 O ATOM 1191 CB ASN A 74 7.216 -6.812 -1.999 1.00 0.00 C ATOM 1192 CG ASN A 74 8.150 -6.920 -0.800 1.00 0.00 C ATOM 1193 OD1 ASN A 74 7.766 -7.697 0.194 1.00 0.00 O flip ATOM 1194 ND2 ASN A 74 9.232 -6.332 -0.787 1.00 0.00 N flip ATOM 0 H ASN A 74 5.335 -6.510 -0.307 1.00 0.00 H new ATOM 0 HA ASN A 74 6.920 -4.694 -1.746 1.00 0.00 H new ATOM 0 HB2 ASN A 74 6.598 -7.709 -2.052 1.00 0.00 H new ATOM 0 HB3 ASN A 74 7.810 -6.779 -2.912 1.00 0.00 H new ATOM 0 HD21 ASN A 74 9.499 -5.738 -1.572 1.00 0.00 H new ATOM 0 HD22 ASN A 74 9.861 -6.439 0.009 1.00 0.00 H new ATOM 1201 N ALA A 75 4.485 -6.170 -3.438 1.00 0.00 N ATOM 1202 CA ALA A 75 3.655 -6.175 -4.643 1.00 0.00 C ATOM 1203 C ALA A 75 2.862 -4.852 -4.785 1.00 0.00 C ATOM 1204 O ALA A 75 2.547 -4.426 -5.902 1.00 0.00 O ATOM 1205 CB ALA A 75 2.739 -7.403 -4.617 1.00 0.00 C ATOM 0 H ALA A 75 4.145 -6.798 -2.710 1.00 0.00 H new ATOM 0 HA ALA A 75 4.293 -6.241 -5.524 1.00 0.00 H new ATOM 0 HB1 ALA A 75 2.118 -7.413 -5.513 1.00 0.00 H new ATOM 0 HB2 ALA A 75 3.345 -8.308 -4.586 1.00 0.00 H new ATOM 0 HB3 ALA A 75 2.102 -7.363 -3.734 1.00 0.00 H new ATOM 1211 N ILE A 76 2.513 -4.222 -3.645 1.00 0.00 N ATOM 1212 CA ILE A 76 1.893 -2.875 -3.636 1.00 0.00 C ATOM 1213 C ILE A 76 2.915 -1.824 -4.081 1.00 0.00 C ATOM 1214 O ILE A 76 2.639 -1.000 -4.951 1.00 0.00 O ATOM 1215 CB ILE A 76 1.332 -2.498 -2.205 1.00 0.00 C ATOM 1216 CG1 ILE A 76 0.136 -3.417 -1.822 1.00 0.00 C ATOM 1217 CG2 ILE A 76 0.936 -0.997 -2.084 1.00 0.00 C ATOM 1218 CD1 ILE A 76 -0.485 -3.128 -0.473 1.00 0.00 C ATOM 0 H ILE A 76 2.649 -4.622 -2.717 1.00 0.00 H new ATOM 0 HA ILE A 76 1.055 -2.893 -4.333 1.00 0.00 H new ATOM 0 HB ILE A 76 2.146 -2.663 -1.499 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.634 -3.324 -2.587 1.00 0.00 H new ATOM 0 HG13 ILE A 76 0.474 -4.453 -1.835 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.559 -0.800 -1.081 1.00 0.00 H new ATOM 0 HG22 ILE A 76 1.810 -0.374 -2.272 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.161 -0.765 -2.815 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.309 -3.819 -0.296 1.00 0.00 H new ATOM 0 HD12 ILE A 76 0.266 -3.252 0.307 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.860 -2.105 -0.457 1.00 0.00 H new ATOM 1230 N SER A 77 4.108 -1.894 -3.497 1.00 0.00 N ATOM 1231 CA SER A 77 5.133 -0.863 -3.649 1.00 0.00 C ATOM 1232 C SER A 77 5.727 -0.884 -5.063 1.00 0.00 C ATOM 1233 O SER A 77 6.078 0.170 -5.585 1.00 0.00 O ATOM 1234 CB SER A 77 6.217 -1.057 -2.585 1.00 0.00 C ATOM 1235 OG SER A 77 5.674 -0.947 -1.278 1.00 0.00 O ATOM 0 H SER A 77 4.393 -2.671 -2.902 1.00 0.00 H new ATOM 0 HA SER A 77 4.677 0.117 -3.506 1.00 0.00 H new ATOM 0 HB2 SER A 77 6.681 -2.035 -2.708 1.00 0.00 H new ATOM 0 HB3 SER A 77 7.002 -0.312 -2.720 1.00 0.00 H new ATOM 0 HG SER A 77 5.185 -1.767 -1.057 1.00 0.00 H new ATOM 1241 N ARG A 78 5.789 -2.087 -5.696 1.00 0.00 N ATOM 1242 CA ARG A 78 6.319 -2.227 -7.066 1.00 0.00 C ATOM 1243 C ARG A 78 5.421 -1.480 -8.068 1.00 0.00 C ATOM 1244 O ARG A 78 5.931 -0.854 -9.012 1.00 0.00 O ATOM 1245 CB ARG A 78 6.477 -3.715 -7.493 1.00 0.00 C ATOM 1246 CG ARG A 78 5.159 -4.508 -7.591 1.00 0.00 C ATOM 1247 CD ARG A 78 5.326 -5.950 -8.095 1.00 0.00 C ATOM 1248 NE ARG A 78 5.637 -6.013 -9.534 1.00 0.00 N ATOM 1249 CZ ARG A 78 5.837 -7.142 -10.232 1.00 0.00 C ATOM 1250 NH1 ARG A 78 5.776 -8.329 -9.651 1.00 0.00 N ATOM 1251 NH2 ARG A 78 6.087 -7.075 -11.519 1.00 0.00 N ATOM 0 H ARG A 78 5.479 -2.964 -5.277 1.00 0.00 H new ATOM 0 HA ARG A 78 7.314 -1.782 -7.069 1.00 0.00 H new ATOM 0 HB2 ARG A 78 6.976 -3.748 -8.461 1.00 0.00 H new ATOM 0 HB3 ARG A 78 7.132 -4.215 -6.779 1.00 0.00 H new ATOM 0 HG2 ARG A 78 4.688 -4.531 -6.608 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.479 -3.979 -8.258 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.122 -6.438 -7.533 1.00 0.00 H new ATOM 0 HD3 ARG A 78 4.410 -6.508 -7.900 1.00 0.00 H new ATOM 0 HE ARG A 78 5.706 -5.130 -10.039 1.00 0.00 H new ATOM 0 HH11 ARG A 78 5.574 -8.399 -8.654 1.00 0.00 H new ATOM 0 HH12 ARG A 78 5.931 -9.174 -10.200 1.00 0.00 H new ATOM 0 HH21 ARG A 78 6.129 -6.168 -11.984 1.00 0.00 H new ATOM 0 HH22 ARG A 78 6.240 -7.930 -12.054 1.00 0.00 H new ATOM 1265 N THR A 79 4.080 -1.532 -7.850 1.00 0.00 N ATOM 1266 CA THR A 79 3.127 -0.866 -8.744 1.00 0.00 C ATOM 1267 C THR A 79 3.106 0.641 -8.451 1.00 0.00 C ATOM 1268 O THR A 79 2.962 1.407 -9.372 1.00 0.00 O ATOM 1269 CB THR A 79 1.666 -1.466 -8.692 1.00 0.00 C ATOM 1270 OG1 THR A 79 0.950 -1.094 -9.881 1.00 0.00 O ATOM 1271 CG2 THR A 79 0.841 -0.994 -7.482 1.00 0.00 C ATOM 0 H THR A 79 3.649 -2.026 -7.068 1.00 0.00 H new ATOM 0 HA THR A 79 3.479 -1.046 -9.760 1.00 0.00 H new ATOM 0 HB THR A 79 1.792 -2.545 -8.608 1.00 0.00 H new ATOM 0 HG1 THR A 79 0.535 -1.889 -10.275 1.00 0.00 H new ATOM 0 HG21 THR A 79 -0.149 -1.449 -7.517 1.00 0.00 H new ATOM 0 HG22 THR A 79 1.344 -1.290 -6.561 1.00 0.00 H new ATOM 0 HG23 THR A 79 0.743 0.091 -7.510 1.00 0.00 H new ATOM 1279 N VAL A 80 3.265 1.037 -7.164 1.00 0.00 N ATOM 1280 CA VAL A 80 3.293 2.466 -6.740 1.00 0.00 C ATOM 1281 C VAL A 80 4.495 3.201 -7.370 1.00 0.00 C ATOM 1282 O VAL A 80 4.344 4.306 -7.911 1.00 0.00 O ATOM 1283 CB VAL A 80 3.332 2.596 -5.162 1.00 0.00 C ATOM 1284 CG1 VAL A 80 3.685 4.039 -4.696 1.00 0.00 C ATOM 1285 CG2 VAL A 80 1.992 2.120 -4.530 1.00 0.00 C ATOM 0 H VAL A 80 3.377 0.381 -6.391 1.00 0.00 H new ATOM 0 HA VAL A 80 2.375 2.934 -7.095 1.00 0.00 H new ATOM 0 HB VAL A 80 4.130 1.943 -4.810 1.00 0.00 H new ATOM 0 HG11 VAL A 80 3.699 4.076 -3.607 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.666 4.316 -5.081 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.937 4.736 -5.073 1.00 0.00 H new ATOM 0 HG21 VAL A 80 2.045 2.220 -3.446 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.173 2.730 -4.911 1.00 0.00 H new ATOM 0 HG23 VAL A 80 1.818 1.076 -4.790 1.00 0.00 H new ATOM 1295 N GLU A 81 5.673 2.561 -7.302 1.00 0.00 N ATOM 1296 CA GLU A 81 6.917 3.084 -7.889 1.00 0.00 C ATOM 1297 C GLU A 81 6.822 3.139 -9.428 1.00 0.00 C ATOM 1298 O GLU A 81 7.338 4.070 -10.061 1.00 0.00 O ATOM 1299 CB GLU A 81 8.109 2.208 -7.434 1.00 0.00 C ATOM 1300 CG GLU A 81 8.364 2.261 -5.912 1.00 0.00 C ATOM 1301 CD GLU A 81 9.452 1.280 -5.437 1.00 0.00 C ATOM 1302 OE1 GLU A 81 10.652 1.587 -5.601 1.00 0.00 O ATOM 1303 OE2 GLU A 81 9.115 0.196 -4.906 1.00 0.00 O ATOM 0 H GLU A 81 5.790 1.661 -6.836 1.00 0.00 H new ATOM 0 HA GLU A 81 7.074 4.104 -7.538 1.00 0.00 H new ATOM 0 HB2 GLU A 81 7.924 1.175 -7.728 1.00 0.00 H new ATOM 0 HB3 GLU A 81 9.009 2.532 -7.957 1.00 0.00 H new ATOM 0 HG2 GLU A 81 8.654 3.275 -5.635 1.00 0.00 H new ATOM 0 HG3 GLU A 81 7.434 2.041 -5.388 1.00 0.00 H new ATOM 1310 N GLN A 82 6.128 2.146 -10.009 1.00 0.00 N ATOM 1311 CA GLN A 82 5.874 2.080 -11.466 1.00 0.00 C ATOM 1312 C GLN A 82 4.955 3.240 -11.886 1.00 0.00 C ATOM 1313 O GLN A 82 5.266 3.976 -12.814 1.00 0.00 O ATOM 1314 CB GLN A 82 5.235 0.717 -11.848 1.00 0.00 C ATOM 1315 CG GLN A 82 4.917 0.536 -13.355 1.00 0.00 C ATOM 1316 CD GLN A 82 6.154 0.541 -14.269 1.00 0.00 C ATOM 1317 OE1 GLN A 82 7.253 0.145 -13.861 1.00 0.00 O ATOM 1318 NE2 GLN A 82 5.980 0.969 -15.514 1.00 0.00 N ATOM 0 H GLN A 82 5.727 1.367 -9.488 1.00 0.00 H new ATOM 0 HA GLN A 82 6.824 2.170 -11.994 1.00 0.00 H new ATOM 0 HB2 GLN A 82 5.908 -0.082 -11.537 1.00 0.00 H new ATOM 0 HB3 GLN A 82 4.312 0.595 -11.281 1.00 0.00 H new ATOM 0 HG2 GLN A 82 4.383 -0.405 -13.491 1.00 0.00 H new ATOM 0 HG3 GLN A 82 4.244 1.333 -13.670 1.00 0.00 H new ATOM 0 HE21 GLN A 82 5.061 1.289 -15.819 1.00 0.00 H new ATOM 0 HE22 GLN A 82 6.765 0.978 -16.165 1.00 0.00 H new ATOM 1327 N LEU A 83 3.864 3.405 -11.122 1.00 0.00 N ATOM 1328 CA LEU A 83 2.826 4.435 -11.330 1.00 0.00 C ATOM 1329 C LEU A 83 3.396 5.844 -11.151 1.00 0.00 C ATOM 1330 O LEU A 83 2.902 6.787 -11.757 1.00 0.00 O ATOM 1331 CB LEU A 83 1.655 4.214 -10.328 1.00 0.00 C ATOM 1332 CG LEU A 83 0.704 3.021 -10.633 1.00 0.00 C ATOM 1333 CD1 LEU A 83 -0.298 2.781 -9.484 1.00 0.00 C ATOM 1334 CD2 LEU A 83 -0.005 3.224 -11.981 1.00 0.00 C ATOM 0 H LEU A 83 3.671 2.809 -10.317 1.00 0.00 H new ATOM 0 HA LEU A 83 2.460 4.343 -12.352 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.078 4.069 -9.334 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.059 5.126 -10.291 1.00 0.00 H new ATOM 0 HG LEU A 83 1.310 2.118 -10.710 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.944 1.940 -9.735 1.00 0.00 H new ATOM 0 HD12 LEU A 83 0.247 2.559 -8.566 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.905 3.674 -9.338 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -0.665 2.379 -12.176 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -0.591 4.143 -11.949 1.00 0.00 H new ATOM 0 HD23 LEU A 83 0.738 3.295 -12.776 1.00 0.00 H new ATOM 1346 N LYS A 84 4.421 5.959 -10.296 1.00 0.00 N ATOM 1347 CA LYS A 84 5.128 7.219 -10.038 1.00 0.00 C ATOM 1348 C LYS A 84 5.930 7.649 -11.282 1.00 0.00 C ATOM 1349 O LYS A 84 6.006 8.843 -11.607 1.00 0.00 O ATOM 1350 CB LYS A 84 6.051 7.038 -8.807 1.00 0.00 C ATOM 1351 CG LYS A 84 6.762 8.323 -8.332 1.00 0.00 C ATOM 1352 CD LYS A 84 7.509 8.141 -6.992 1.00 0.00 C ATOM 1353 CE LYS A 84 8.502 6.960 -6.996 1.00 0.00 C ATOM 1354 NZ LYS A 84 9.203 6.837 -5.699 1.00 0.00 N ATOM 0 H LYS A 84 4.786 5.172 -9.759 1.00 0.00 H new ATOM 0 HA LYS A 84 4.408 8.009 -9.824 1.00 0.00 H new ATOM 0 HB2 LYS A 84 5.458 6.642 -7.982 1.00 0.00 H new ATOM 0 HB3 LYS A 84 6.806 6.289 -9.045 1.00 0.00 H new ATOM 0 HG2 LYS A 84 7.471 8.643 -9.096 1.00 0.00 H new ATOM 0 HG3 LYS A 84 6.026 9.120 -8.226 1.00 0.00 H new ATOM 0 HD2 LYS A 84 8.049 9.059 -6.759 1.00 0.00 H new ATOM 0 HD3 LYS A 84 6.780 7.989 -6.196 1.00 0.00 H new ATOM 0 HE2 LYS A 84 7.968 6.035 -7.211 1.00 0.00 H new ATOM 0 HE3 LYS A 84 9.232 7.100 -7.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 9.956 6.124 -5.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 9.620 7.754 -5.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 8.526 6.546 -4.965 1.00 0.00 H new ATOM 1368 N ALA A 85 6.503 6.649 -11.974 1.00 0.00 N ATOM 1369 CA ALA A 85 7.235 6.852 -13.233 1.00 0.00 C ATOM 1370 C ALA A 85 6.248 7.156 -14.376 1.00 0.00 C ATOM 1371 O ALA A 85 6.453 8.093 -15.149 1.00 0.00 O ATOM 1372 CB ALA A 85 8.099 5.616 -13.557 1.00 0.00 C ATOM 0 H ALA A 85 6.470 5.675 -11.674 1.00 0.00 H new ATOM 0 HA ALA A 85 7.902 7.707 -13.123 1.00 0.00 H new ATOM 0 HB1 ALA A 85 8.635 5.781 -14.492 1.00 0.00 H new ATOM 0 HB2 ALA A 85 8.816 5.452 -12.752 1.00 0.00 H new ATOM 0 HB3 ALA A 85 7.458 4.740 -13.656 1.00 0.00 H new ATOM 1378 N GLU A 86 5.148 6.377 -14.422 1.00 0.00 N ATOM 1379 CA GLU A 86 4.136 6.440 -15.497 1.00 0.00 C ATOM 1380 C GLU A 86 3.360 7.775 -15.486 1.00 0.00 C ATOM 1381 O GLU A 86 3.129 8.357 -16.545 1.00 0.00 O ATOM 1382 CB GLU A 86 3.156 5.243 -15.387 1.00 0.00 C ATOM 1383 CG GLU A 86 3.808 3.868 -15.633 1.00 0.00 C ATOM 1384 CD GLU A 86 2.813 2.694 -15.616 1.00 0.00 C ATOM 1385 OE1 GLU A 86 2.141 2.479 -14.578 1.00 0.00 O ATOM 1386 OE2 GLU A 86 2.716 1.960 -16.629 1.00 0.00 O ATOM 0 H GLU A 86 4.935 5.680 -13.708 1.00 0.00 H new ATOM 0 HA GLU A 86 4.666 6.381 -16.447 1.00 0.00 H new ATOM 0 HB2 GLU A 86 2.706 5.247 -14.394 1.00 0.00 H new ATOM 0 HB3 GLU A 86 2.347 5.383 -16.104 1.00 0.00 H new ATOM 0 HG2 GLU A 86 4.318 3.886 -16.596 1.00 0.00 H new ATOM 0 HG3 GLU A 86 4.570 3.697 -14.872 1.00 0.00 H new ATOM 1393 N SER A 87 2.992 8.254 -14.277 1.00 0.00 N ATOM 1394 CA SER A 87 2.263 9.536 -14.098 1.00 0.00 C ATOM 1395 C SER A 87 3.176 10.732 -14.441 1.00 0.00 C ATOM 1396 O SER A 87 2.696 11.790 -14.868 1.00 0.00 O ATOM 1397 CB SER A 87 1.727 9.670 -12.648 1.00 0.00 C ATOM 1398 OG SER A 87 2.784 9.624 -11.699 1.00 0.00 O ATOM 0 H SER A 87 3.189 7.769 -13.401 1.00 0.00 H new ATOM 0 HA SER A 87 1.413 9.538 -14.780 1.00 0.00 H new ATOM 0 HB2 SER A 87 1.184 10.609 -12.545 1.00 0.00 H new ATOM 0 HB3 SER A 87 1.018 8.867 -12.445 1.00 0.00 H new ATOM 0 HG SER A 87 3.031 8.691 -11.529 1.00 0.00 H new ATOM 1404 N ALA A 88 4.499 10.541 -14.246 1.00 0.00 N ATOM 1405 CA ALA A 88 5.531 11.527 -14.622 1.00 0.00 C ATOM 1406 C ALA A 88 5.768 11.517 -16.151 1.00 0.00 C ATOM 1407 O ALA A 88 6.311 12.474 -16.707 1.00 0.00 O ATOM 1408 CB ALA A 88 6.836 11.251 -13.851 1.00 0.00 C ATOM 0 H ALA A 88 4.881 9.695 -13.822 1.00 0.00 H new ATOM 0 HA ALA A 88 5.180 12.523 -14.350 1.00 0.00 H new ATOM 0 HB1 ALA A 88 7.590 11.985 -14.137 1.00 0.00 H new ATOM 0 HB2 ALA A 88 6.648 11.323 -12.780 1.00 0.00 H new ATOM 0 HB3 ALA A 88 7.195 10.250 -14.090 1.00 0.00 H new ATOM 1414 N LEU A 89 5.372 10.413 -16.819 1.00 0.00 N ATOM 1415 CA LEU A 89 5.394 10.291 -18.295 1.00 0.00 C ATOM 1416 C LEU A 89 4.024 10.671 -18.906 1.00 0.00 C ATOM 1417 O LEU A 89 3.828 10.534 -20.115 1.00 0.00 O ATOM 1418 CB LEU A 89 5.788 8.842 -18.713 1.00 0.00 C ATOM 1419 CG LEU A 89 7.202 8.355 -18.267 1.00 0.00 C ATOM 1420 CD1 LEU A 89 7.430 6.872 -18.640 1.00 0.00 C ATOM 1421 CD2 LEU A 89 8.331 9.266 -18.827 1.00 0.00 C ATOM 0 H LEU A 89 5.026 9.576 -16.349 1.00 0.00 H new ATOM 0 HA LEU A 89 6.141 10.985 -18.680 1.00 0.00 H new ATOM 0 HB2 LEU A 89 5.046 8.155 -18.307 1.00 0.00 H new ATOM 0 HB3 LEU A 89 5.728 8.771 -19.799 1.00 0.00 H new ATOM 0 HG LEU A 89 7.242 8.430 -17.180 1.00 0.00 H new ATOM 0 HD11 LEU A 89 8.424 6.564 -18.316 1.00 0.00 H new ATOM 0 HD12 LEU A 89 6.680 6.253 -18.148 1.00 0.00 H new ATOM 0 HD13 LEU A 89 7.347 6.752 -19.720 1.00 0.00 H new ATOM 0 HD21 LEU A 89 9.299 8.892 -18.493 1.00 0.00 H new ATOM 0 HD22 LEU A 89 8.296 9.261 -19.916 1.00 0.00 H new ATOM 0 HD23 LEU A 89 8.190 10.284 -18.464 1.00 0.00 H new ATOM 1433 N GLU A 90 3.071 11.134 -18.070 1.00 0.00 N ATOM 1434 CA GLU A 90 1.742 11.596 -18.521 1.00 0.00 C ATOM 1435 C GLU A 90 1.554 13.057 -18.075 1.00 0.00 C ATOM 1436 CB GLU A 90 0.621 10.675 -17.953 1.00 0.00 C ATOM 1437 CG GLU A 90 0.709 9.217 -18.420 1.00 0.00 C ATOM 1438 CD GLU A 90 -0.399 8.329 -17.843 1.00 0.00 C ATOM 1439 OE1 GLU A 90 -0.210 7.747 -16.752 1.00 0.00 O ATOM 1440 OE2 GLU A 90 -1.463 8.199 -18.491 1.00 0.00 O ATOM 0 H GLU A 90 3.202 11.198 -17.061 1.00 0.00 H new ATOM 0 HA GLU A 90 1.676 11.545 -19.608 1.00 0.00 H new ATOM 0 HB2 GLU A 90 0.663 10.699 -16.864 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -0.348 11.080 -18.243 1.00 0.00 H new ATOM 0 HG2 GLU A 90 0.659 9.188 -19.508 1.00 0.00 H new ATOM 0 HG3 GLU A 90 1.678 8.809 -18.134 1.00 0.00 H new TER 1447 GLU A 90 HETATM 1448 P24 PNS A 101 -14.328 -1.506 -3.632 1.00 52.50 P HETATM 1449 O25 PNS A 101 -15.186 -1.519 -4.841 1.00 32.10 O HETATM 1450 O26 PNS A 101 -14.573 -0.373 -2.706 1.00 2.30 O HETATM 1451 O27 PNS A 101 -12.793 -1.545 -4.077 1.00 34.34 O HETATM 1452 C28 PNS A 101 -12.447 -1.815 -5.440 1.00 60.14 C HETATM 1453 C29 PNS A 101 -11.927 -3.244 -5.649 1.00 65.10 C HETATM 1454 C30 PNS A 101 -13.031 -4.239 -5.256 1.00 3.52 C HETATM 1455 C31 PNS A 101 -10.706 -3.473 -4.757 1.00 53.45 C HETATM 1456 C32 PNS A 101 -11.592 -3.403 -7.140 1.00 30.55 C HETATM 1457 O33 PNS A 101 -10.649 -2.397 -7.546 1.00 74.22 O HETATM 1458 C34 PNS A 101 -10.994 -4.794 -7.487 1.00 70.30 C HETATM 1459 O35 PNS A 101 -9.765 -4.955 -7.558 1.00 71.33 O HETATM 1460 N36 PNS A 101 -11.874 -5.781 -7.722 1.00 71.25 N HETATM 1461 C37 PNS A 101 -11.534 -7.176 -8.061 1.00 73.10 C HETATM 1462 C38 PNS A 101 -10.700 -7.893 -6.982 1.00 31.02 C HETATM 1463 C39 PNS A 101 -11.395 -7.959 -5.629 1.00 12.45 C HETATM 1464 O40 PNS A 101 -12.424 -8.627 -5.480 1.00 43.24 O HETATM 1465 N41 PNS A 101 -10.830 -7.259 -4.630 1.00 35.14 N HETATM 1466 C42 PNS A 101 -11.351 -7.191 -3.258 1.00 71.31 C HETATM 1467 C43 PNS A 101 -10.276 -7.495 -2.217 1.00 53.13 C HETATM 1468 S44 PNS A 101 -10.997 -7.461 -0.562 1.00 53.23 S HETATM 0 H432 PNS A 101 -9.835 -8.473 -2.411 1.00 53.13 H new HETATM 0 H431 PNS A 101 -9.471 -6.763 -2.288 1.00 53.13 H new HETATM 0 H422 PNS A 101 -12.172 -7.899 -3.147 1.00 71.31 H new HETATM 0 H421 PNS A 101 -11.760 -6.197 -3.075 1.00 71.31 H new HETATM 0 H382 PNS A 101 -9.746 -7.378 -6.868 1.00 31.02 H new HETATM 0 H381 PNS A 101 -10.477 -8.906 -7.318 1.00 31.02 H new HETATM 0 H372 PNS A 101 -10.982 -7.187 -9.001 1.00 73.10 H new HETATM 0 H371 PNS A 101 -12.455 -7.735 -8.226 1.00 73.10 H new HETATM 0 H313 PNS A 101 -10.334 -4.487 -4.903 1.00 53.45 H new HETATM 0 H312 PNS A 101 -10.987 -3.336 -3.713 1.00 53.45 H new HETATM 0 H311 PNS A 101 -9.925 -2.759 -5.019 1.00 53.45 H new HETATM 0 H303 PNS A 101 -12.671 -5.258 -5.401 1.00 3.52 H new HETATM 0 H302 PNS A 101 -13.910 -4.072 -5.879 1.00 3.52 H new HETATM 0 H301 PNS A 101 -13.296 -4.093 -4.209 1.00 3.52 H new HETATM 0 H282 PNS A 101 -11.686 -1.105 -5.765 1.00 60.14 H new HETATM 0 H281 PNS A 101 -13.322 -1.655 -6.071 1.00 60.14 H new HETATM 0 H44 PNS A 101 -10.065 -7.222 0.312 1.00 53.23 H new HETATM 0 H41 PNS A 101 -9.979 -6.738 -4.840 1.00 35.14 H new HETATM 0 H36 PNS A 101 -12.865 -5.545 -7.661 1.00 71.25 H new HETATM 0 H33 PNS A 101 -10.441 -2.508 -8.497 1.00 74.22 H new HETATM 0 H32 PNS A 101 -12.537 -3.297 -7.673 1.00 30.55 H new