USER MOD reduce.3.24.130724 H: found=0, std=0, add=836, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 837 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 45 ASN : amide:sc= -2.48! C(o=-3.4!,f=-6.4!) USER MOD Set 1.2: A 79 SER OG : rot 57:sc= -0.883 USER MOD Single : A 3 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.326) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.249 USER MOD Single : A 11 LYS NZ :NH3+ -158:sc= -0.0416 (180deg=-0.424) USER MOD Single : A 13 GLN : amide:sc= -0.377 X(o=-0.38,f=0) USER MOD Single : A 14 GLN : amide:sc= -1.2 K(o=-1.2,f=0) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 89:sc= 1.04 USER MOD Single : A 29 GLN : amide:sc= -0.0807 K(o=-0.081,f=-1.3!) USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.972 USER MOD Single : A 35 ASN : amide:sc=-0.00658 K(o=-0.0066,f=-0.57) USER MOD Single : A 38 GLN : amide:sc= -0.295 K(o=-0.29,f=-2.7!) USER MOD Single : A 39 CYS SG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -2.39 K(o=-2.4,f=0.011) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -3.53 K(o=-3.5,f=-0.98) USER MOD Single : A 53 THR OG1 : rot -68:sc= 1.18 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -0.285 X(o=-0.29,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 167:sc= -0.441 (180deg=-0.812) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -138:sc= -0.144 (180deg=-0.901) USER MOD Single : A 76 ASN : amide:sc= -1.84 K(o=-1.8,f=-4.6!) USER MOD Single : A 77 LYS NZ :NH3+ -162:sc= -0.0402 (180deg=-0.495) USER MOD Single : A 80 LYS NZ :NH3+ -179:sc= -2.11 (180deg=-2.15) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= -3.49! K(o=-3.5!,f=-0.34) USER MOD Single : A 86 SER OG : rot 54:sc= 0.963 USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 ASN : amide:sc= -4.91! C(o=-4.9!,f=-8.4!) USER MOD Single : A 92 ASN : amide:sc= -2.81! C(o=-2.8!,f=-3.1!) USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 MET CE :methyl 149:sc= -2.06! (180deg=-3.79!) USER MOD ----------------------------------------------------------------- ATOM 41 N LYS A 3 -5.939 8.718 0.828 1.00 0.00 N ATOM 42 CA LYS A 3 -6.831 9.756 1.420 1.00 0.00 C ATOM 43 C LYS A 3 -7.420 9.246 2.739 1.00 0.00 C ATOM 44 O LYS A 3 -7.375 9.918 3.749 1.00 0.00 O ATOM 45 CB LYS A 3 -7.969 10.080 0.440 1.00 0.00 C ATOM 46 CG LYS A 3 -7.411 10.272 -0.979 1.00 0.00 C ATOM 47 CD LYS A 3 -6.271 11.301 -0.969 1.00 0.00 C ATOM 48 CE LYS A 3 -5.988 11.774 -2.398 1.00 0.00 C ATOM 49 NZ LYS A 3 -5.695 10.596 -3.262 1.00 0.00 N ATOM 0 HA LYS A 3 -6.250 10.658 1.612 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -8.702 9.274 0.444 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -8.487 10.984 0.760 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -7.047 9.320 -1.366 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -8.205 10.605 -1.647 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -6.541 12.150 -0.341 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -5.373 10.859 -0.538 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -6.847 12.320 -2.788 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -5.143 12.462 -2.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -5.229 10.914 -4.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -5.067 9.940 -2.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -6.583 10.110 -3.500 1.00 0.00 H new ATOM 63 N PHE A 4 -7.975 8.061 2.740 1.00 0.00 N ATOM 64 CA PHE A 4 -8.567 7.517 3.997 1.00 0.00 C ATOM 65 C PHE A 4 -7.456 7.013 4.921 1.00 0.00 C ATOM 66 O PHE A 4 -6.343 6.768 4.499 1.00 0.00 O ATOM 67 CB PHE A 4 -9.545 6.381 3.684 1.00 0.00 C ATOM 68 CG PHE A 4 -8.966 5.442 2.654 1.00 0.00 C ATOM 69 CD1 PHE A 4 -9.098 5.749 1.300 1.00 0.00 C ATOM 70 CD2 PHE A 4 -8.325 4.260 3.046 1.00 0.00 C ATOM 71 CE1 PHE A 4 -8.592 4.881 0.330 1.00 0.00 C ATOM 72 CE2 PHE A 4 -7.820 3.387 2.075 1.00 0.00 C ATOM 73 CZ PHE A 4 -7.955 3.702 0.713 1.00 0.00 C ATOM 0 H PHE A 4 -8.043 7.449 1.927 1.00 0.00 H new ATOM 0 HA PHE A 4 -9.114 8.316 4.498 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -9.774 5.830 4.597 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -10.484 6.795 3.318 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -9.593 6.661 1.001 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -8.221 4.023 4.094 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -8.694 5.123 -0.717 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -7.328 2.473 2.373 1.00 0.00 H new ATOM 0 HZ PHE A 4 -7.565 3.031 -0.038 1.00 0.00 H new ATOM 83 N THR A 5 -7.754 6.870 6.186 1.00 0.00 N ATOM 84 CA THR A 5 -6.730 6.397 7.163 1.00 0.00 C ATOM 85 C THR A 5 -6.726 4.877 7.215 1.00 0.00 C ATOM 86 O THR A 5 -7.665 4.218 6.813 1.00 0.00 O ATOM 87 CB THR A 5 -7.034 6.940 8.558 1.00 0.00 C ATOM 88 OG1 THR A 5 -6.204 6.285 9.507 1.00 0.00 O ATOM 89 CG2 THR A 5 -8.498 6.689 8.900 1.00 0.00 C ATOM 0 H THR A 5 -8.672 7.063 6.587 1.00 0.00 H new ATOM 0 HA THR A 5 -5.754 6.759 6.839 1.00 0.00 H new ATOM 0 HB THR A 5 -6.840 8.012 8.581 1.00 0.00 H new ATOM 0 HG1 THR A 5 -6.395 6.632 10.403 1.00 0.00 H new ATOM 0 HG21 THR A 5 -8.711 7.078 9.896 1.00 0.00 H new ATOM 0 HG22 THR A 5 -9.133 7.192 8.171 1.00 0.00 H new ATOM 0 HG23 THR A 5 -8.698 5.618 8.878 1.00 0.00 H new ATOM 97 N GLU A 6 -5.666 4.324 7.713 1.00 0.00 N ATOM 98 CA GLU A 6 -5.560 2.841 7.811 1.00 0.00 C ATOM 99 C GLU A 6 -6.840 2.265 8.424 1.00 0.00 C ATOM 100 O GLU A 6 -7.336 1.250 7.989 1.00 0.00 O ATOM 101 CB GLU A 6 -4.365 2.474 8.693 1.00 0.00 C ATOM 102 CG GLU A 6 -3.106 3.159 8.158 1.00 0.00 C ATOM 103 CD GLU A 6 -1.881 2.639 8.915 1.00 0.00 C ATOM 104 OE1 GLU A 6 -2.052 2.174 10.029 1.00 0.00 O ATOM 105 OE2 GLU A 6 -0.795 2.715 8.365 1.00 0.00 O ATOM 0 H GLU A 6 -4.856 4.837 8.062 1.00 0.00 H new ATOM 0 HA GLU A 6 -5.422 2.425 6.813 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -4.550 2.783 9.722 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -4.227 1.393 8.705 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -2.998 2.963 7.091 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -3.189 4.239 8.277 1.00 0.00 H new ATOM 112 N GLU A 7 -7.380 2.911 9.426 1.00 0.00 N ATOM 113 CA GLU A 7 -8.630 2.398 10.070 1.00 0.00 C ATOM 114 C GLU A 7 -9.678 2.079 8.994 1.00 0.00 C ATOM 115 O GLU A 7 -10.386 1.085 9.061 1.00 0.00 O ATOM 116 CB GLU A 7 -9.193 3.458 11.023 1.00 0.00 C ATOM 117 CG GLU A 7 -8.110 3.886 12.017 1.00 0.00 C ATOM 118 CD GLU A 7 -7.711 2.692 12.886 1.00 0.00 C ATOM 119 OE1 GLU A 7 -6.830 1.955 12.477 1.00 0.00 O ATOM 120 OE2 GLU A 7 -8.294 2.535 13.947 1.00 0.00 O ATOM 0 H GLU A 7 -7.010 3.773 9.827 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.395 1.492 10.628 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.542 4.321 10.457 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -10.054 3.059 11.558 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -7.240 4.266 11.481 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -8.478 4.698 12.644 1.00 0.00 H new ATOM 127 N GLU A 8 -9.783 2.905 7.991 1.00 0.00 N ATOM 128 CA GLU A 8 -10.778 2.632 6.927 1.00 0.00 C ATOM 129 C GLU A 8 -10.322 1.378 6.174 1.00 0.00 C ATOM 130 O GLU A 8 -11.101 0.487 5.899 1.00 0.00 O ATOM 131 CB GLU A 8 -10.860 3.856 5.986 1.00 0.00 C ATOM 132 CG GLU A 8 -12.323 4.215 5.676 1.00 0.00 C ATOM 133 CD GLU A 8 -13.043 2.992 5.109 1.00 0.00 C ATOM 134 OE1 GLU A 8 -12.364 2.097 4.638 1.00 0.00 O ATOM 135 OE2 GLU A 8 -14.262 2.972 5.154 1.00 0.00 O ATOM 0 H GLU A 8 -9.226 3.750 7.865 1.00 0.00 H new ATOM 0 HA GLU A 8 -11.772 2.461 7.342 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -10.363 4.709 6.448 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -10.330 3.642 5.058 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -12.824 4.557 6.582 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -12.363 5.037 4.961 1.00 0.00 H new ATOM 142 N ASP A 9 -9.053 1.300 5.858 1.00 0.00 N ATOM 143 CA ASP A 9 -8.521 0.101 5.138 1.00 0.00 C ATOM 144 C ASP A 9 -9.041 -1.173 5.818 1.00 0.00 C ATOM 145 O ASP A 9 -9.213 -2.207 5.200 1.00 0.00 O ATOM 146 CB ASP A 9 -6.991 0.120 5.185 1.00 0.00 C ATOM 147 CG ASP A 9 -6.435 -0.895 4.188 1.00 0.00 C ATOM 148 OD1 ASP A 9 -6.373 -2.064 4.533 1.00 0.00 O ATOM 149 OD2 ASP A 9 -6.080 -0.486 3.098 1.00 0.00 O ATOM 0 H ASP A 9 -8.360 2.018 6.068 1.00 0.00 H new ATOM 0 HA ASP A 9 -8.853 0.119 4.100 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -6.622 1.118 4.947 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -6.645 -0.116 6.191 1.00 0.00 H new ATOM 154 N LEU A 10 -9.308 -1.096 7.090 1.00 0.00 N ATOM 155 CA LEU A 10 -9.835 -2.288 7.809 1.00 0.00 C ATOM 156 C LEU A 10 -11.297 -2.455 7.404 1.00 0.00 C ATOM 157 O LEU A 10 -11.781 -3.552 7.201 1.00 0.00 O ATOM 158 CB LEU A 10 -9.719 -2.078 9.332 1.00 0.00 C ATOM 159 CG LEU A 10 -8.435 -1.312 9.649 1.00 0.00 C ATOM 160 CD1 LEU A 10 -8.281 -1.175 11.162 1.00 0.00 C ATOM 161 CD2 LEU A 10 -7.225 -2.052 9.067 1.00 0.00 C ATOM 0 H LEU A 10 -9.185 -0.261 7.663 1.00 0.00 H new ATOM 0 HA LEU A 10 -9.265 -3.180 7.551 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -10.584 -1.526 9.700 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -9.715 -3.041 9.843 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.490 -0.320 9.201 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -7.365 -0.629 11.386 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -9.135 -0.633 11.567 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -8.233 -2.166 11.614 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.315 -1.499 9.298 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.164 -3.049 9.503 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.335 -2.135 7.986 1.00 0.00 H new ATOM 173 N LYS A 11 -11.997 -1.361 7.266 1.00 0.00 N ATOM 174 CA LYS A 11 -13.422 -1.453 6.850 1.00 0.00 C ATOM 175 C LYS A 11 -13.487 -2.125 5.477 1.00 0.00 C ATOM 176 O LYS A 11 -14.449 -2.785 5.143 1.00 0.00 O ATOM 177 CB LYS A 11 -14.034 -0.052 6.772 1.00 0.00 C ATOM 178 CG LYS A 11 -14.001 0.599 8.156 1.00 0.00 C ATOM 179 CD LYS A 11 -14.698 1.959 8.099 1.00 0.00 C ATOM 180 CE LYS A 11 -14.867 2.508 9.517 1.00 0.00 C ATOM 181 NZ LYS A 11 -15.881 1.695 10.246 1.00 0.00 N ATOM 0 H LYS A 11 -11.646 -0.416 7.422 1.00 0.00 H new ATOM 0 HA LYS A 11 -13.984 -2.039 7.578 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -13.481 0.558 6.058 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -15.061 -0.112 6.411 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -14.496 -0.044 8.884 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -12.970 0.721 8.487 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -14.113 2.654 7.496 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -15.671 1.861 7.618 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -13.914 2.480 10.046 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -15.180 3.551 9.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -16.271 2.251 11.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -16.648 1.432 9.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -15.433 0.834 10.619 1.00 0.00 H new ATOM 195 N LEU A 12 -12.461 -1.970 4.681 1.00 0.00 N ATOM 196 CA LEU A 12 -12.458 -2.609 3.338 1.00 0.00 C ATOM 197 C LEU A 12 -12.388 -4.125 3.516 1.00 0.00 C ATOM 198 O LEU A 12 -13.123 -4.862 2.905 1.00 0.00 O ATOM 199 CB LEU A 12 -11.232 -2.128 2.539 1.00 0.00 C ATOM 200 CG LEU A 12 -11.552 -0.830 1.790 1.00 0.00 C ATOM 201 CD1 LEU A 12 -11.909 0.260 2.799 1.00 0.00 C ATOM 202 CD2 LEU A 12 -10.327 -0.404 0.967 1.00 0.00 C ATOM 0 H LEU A 12 -11.627 -1.428 4.906 1.00 0.00 H new ATOM 0 HA LEU A 12 -13.365 -2.339 2.797 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -10.392 -1.967 3.214 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -10.928 -2.898 1.830 1.00 0.00 H new ATOM 0 HG LEU A 12 -12.397 -0.987 1.119 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -12.137 1.185 2.270 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -12.779 -0.051 3.378 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -11.066 0.425 3.470 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -10.551 0.519 0.433 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -9.480 -0.241 1.633 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -10.080 -1.187 0.250 1.00 0.00 H new ATOM 214 N GLN A 13 -11.509 -4.604 4.347 1.00 0.00 N ATOM 215 CA GLN A 13 -11.411 -6.080 4.528 1.00 0.00 C ATOM 216 C GLN A 13 -12.798 -6.644 4.861 1.00 0.00 C ATOM 217 O GLN A 13 -13.168 -7.710 4.414 1.00 0.00 O ATOM 218 CB GLN A 13 -10.450 -6.377 5.683 1.00 0.00 C ATOM 219 CG GLN A 13 -10.347 -7.889 5.919 1.00 0.00 C ATOM 220 CD GLN A 13 -9.331 -8.150 7.029 1.00 0.00 C ATOM 221 OE1 GLN A 13 -8.496 -9.024 6.915 1.00 0.00 O ATOM 222 NE2 GLN A 13 -9.371 -7.418 8.109 1.00 0.00 N ATOM 0 H GLN A 13 -10.860 -4.047 4.904 1.00 0.00 H new ATOM 0 HA GLN A 13 -11.042 -6.542 3.612 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -9.464 -5.970 5.458 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -10.799 -5.884 6.590 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -11.320 -8.294 6.196 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -10.041 -8.393 5.002 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -10.074 -6.684 8.202 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -8.700 -7.580 8.860 1.00 0.00 H new ATOM 231 N GLN A 14 -13.568 -5.942 5.642 1.00 0.00 N ATOM 232 CA GLN A 14 -14.928 -6.454 6.009 1.00 0.00 C ATOM 233 C GLN A 14 -15.949 -6.173 4.902 1.00 0.00 C ATOM 234 O GLN A 14 -16.632 -7.062 4.437 1.00 0.00 O ATOM 235 CB GLN A 14 -15.403 -5.764 7.278 1.00 0.00 C ATOM 236 CG GLN A 14 -14.351 -5.922 8.378 1.00 0.00 C ATOM 237 CD GLN A 14 -14.825 -5.208 9.645 1.00 0.00 C ATOM 238 OE1 GLN A 14 -14.033 -4.896 10.512 1.00 0.00 O ATOM 239 NE2 GLN A 14 -16.092 -4.932 9.789 1.00 0.00 N ATOM 0 H GLN A 14 -13.321 -5.038 6.044 1.00 0.00 H new ATOM 0 HA GLN A 14 -14.849 -7.531 6.155 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -15.582 -4.707 7.083 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -16.350 -6.193 7.604 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -14.182 -6.979 8.585 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -13.399 -5.506 8.048 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -16.757 -5.194 9.061 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -16.418 -4.454 10.629 1.00 0.00 H new ATOM 248 N LEU A 15 -16.083 -4.945 4.489 1.00 0.00 N ATOM 249 CA LEU A 15 -17.083 -4.631 3.432 1.00 0.00 C ATOM 250 C LEU A 15 -16.732 -5.414 2.174 1.00 0.00 C ATOM 251 O LEU A 15 -17.542 -6.139 1.630 1.00 0.00 O ATOM 252 CB LEU A 15 -17.055 -3.130 3.122 1.00 0.00 C ATOM 253 CG LEU A 15 -17.360 -2.313 4.397 1.00 0.00 C ATOM 254 CD1 LEU A 15 -16.905 -0.863 4.198 1.00 0.00 C ATOM 255 CD2 LEU A 15 -18.870 -2.325 4.697 1.00 0.00 C ATOM 0 H LEU A 15 -15.547 -4.149 4.835 1.00 0.00 H new ATOM 0 HA LEU A 15 -18.080 -4.906 3.777 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -16.077 -2.851 2.729 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -17.788 -2.898 2.349 1.00 0.00 H new ATOM 0 HG LEU A 15 -16.825 -2.763 5.233 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -17.121 -0.287 5.098 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -15.833 -0.842 4.002 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -17.437 -0.427 3.352 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -19.066 -1.745 5.598 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -19.411 -1.887 3.858 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -19.203 -3.352 4.847 1.00 0.00 H new ATOM 267 N VAL A 16 -15.526 -5.276 1.715 1.00 0.00 N ATOM 268 CA VAL A 16 -15.100 -6.006 0.497 1.00 0.00 C ATOM 269 C VAL A 16 -15.314 -7.502 0.717 1.00 0.00 C ATOM 270 O VAL A 16 -15.631 -8.227 -0.203 1.00 0.00 O ATOM 271 CB VAL A 16 -13.618 -5.729 0.214 1.00 0.00 C ATOM 272 CG1 VAL A 16 -13.244 -6.321 -1.147 1.00 0.00 C ATOM 273 CG2 VAL A 16 -13.353 -4.210 0.193 1.00 0.00 C ATOM 0 H VAL A 16 -14.810 -4.683 2.135 1.00 0.00 H new ATOM 0 HA VAL A 16 -15.689 -5.671 -0.357 1.00 0.00 H new ATOM 0 HB VAL A 16 -13.016 -6.186 1.000 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -12.191 -6.126 -1.352 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -13.418 -7.397 -1.136 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -13.856 -5.862 -1.924 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -12.298 -4.028 -0.009 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -13.957 -3.746 -0.587 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -13.617 -3.781 1.160 1.00 0.00 H new ATOM 283 N MET A 17 -15.162 -7.978 1.929 1.00 0.00 N ATOM 284 CA MET A 17 -15.385 -9.425 2.165 1.00 0.00 C ATOM 285 C MET A 17 -16.869 -9.716 1.926 1.00 0.00 C ATOM 286 O MET A 17 -17.241 -10.789 1.491 1.00 0.00 O ATOM 287 CB MET A 17 -14.973 -9.776 3.604 1.00 0.00 C ATOM 288 CG MET A 17 -15.549 -11.134 4.010 1.00 0.00 C ATOM 289 SD MET A 17 -14.713 -11.724 5.502 1.00 0.00 S ATOM 290 CE MET A 17 -16.027 -12.826 6.078 1.00 0.00 C ATOM 0 H MET A 17 -14.897 -7.432 2.749 1.00 0.00 H new ATOM 0 HA MET A 17 -14.784 -10.033 1.488 1.00 0.00 H new ATOM 0 HB2 MET A 17 -13.886 -9.797 3.682 1.00 0.00 H new ATOM 0 HB3 MET A 17 -15.327 -9.005 4.288 1.00 0.00 H new ATOM 0 HG2 MET A 17 -16.620 -11.047 4.191 1.00 0.00 H new ATOM 0 HG3 MET A 17 -15.420 -11.852 3.200 1.00 0.00 H new ATOM 0 HE1 MET A 17 -15.718 -13.306 7.007 1.00 0.00 H new ATOM 0 HE2 MET A 17 -16.935 -12.249 6.252 1.00 0.00 H new ATOM 0 HE3 MET A 17 -16.220 -13.588 5.323 1.00 0.00 H new ATOM 300 N ARG A 18 -17.721 -8.761 2.194 1.00 0.00 N ATOM 301 CA ARG A 18 -19.177 -8.977 1.967 1.00 0.00 C ATOM 302 C ARG A 18 -19.459 -8.934 0.462 1.00 0.00 C ATOM 303 O ARG A 18 -20.396 -9.541 -0.021 1.00 0.00 O ATOM 304 CB ARG A 18 -19.972 -7.869 2.673 1.00 0.00 C ATOM 305 CG ARG A 18 -21.484 -8.201 2.674 1.00 0.00 C ATOM 306 CD ARG A 18 -21.837 -9.138 3.841 1.00 0.00 C ATOM 307 NE ARG A 18 -23.316 -9.295 3.916 1.00 0.00 N ATOM 308 CZ ARG A 18 -23.944 -10.013 3.026 1.00 0.00 C ATOM 309 NH1 ARG A 18 -23.276 -10.597 2.067 1.00 0.00 N ATOM 310 NH2 ARG A 18 -25.241 -10.150 3.094 1.00 0.00 N ATOM 0 H ARG A 18 -17.470 -7.843 2.560 1.00 0.00 H new ATOM 0 HA ARG A 18 -19.476 -9.946 2.368 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -19.618 -7.756 3.698 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -19.803 -6.916 2.171 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -22.063 -7.281 2.753 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -21.758 -8.670 1.729 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -21.363 -10.109 3.699 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -21.455 -8.731 4.777 1.00 0.00 H new ATOM 0 HE ARG A 18 -23.839 -8.840 4.665 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -22.263 -10.492 2.014 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -23.768 -11.158 1.372 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -25.763 -9.696 3.843 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -25.732 -10.711 2.398 1.00 0.00 H new ATOM 324 N TYR A 19 -18.649 -8.221 -0.287 1.00 0.00 N ATOM 325 CA TYR A 19 -18.851 -8.128 -1.768 1.00 0.00 C ATOM 326 C TYR A 19 -17.895 -9.095 -2.468 1.00 0.00 C ATOM 327 O TYR A 19 -17.983 -9.321 -3.659 1.00 0.00 O ATOM 328 CB TYR A 19 -18.556 -6.697 -2.225 1.00 0.00 C ATOM 329 CG TYR A 19 -19.511 -5.749 -1.528 1.00 0.00 C ATOM 330 CD1 TYR A 19 -20.870 -5.769 -1.858 1.00 0.00 C ATOM 331 CD2 TYR A 19 -19.046 -4.865 -0.543 1.00 0.00 C ATOM 332 CE1 TYR A 19 -21.764 -4.913 -1.205 1.00 0.00 C ATOM 333 CE2 TYR A 19 -19.940 -4.006 0.107 1.00 0.00 C ATOM 334 CZ TYR A 19 -21.299 -4.031 -0.223 1.00 0.00 C ATOM 335 OH TYR A 19 -22.181 -3.187 0.420 1.00 0.00 O ATOM 0 H TYR A 19 -17.850 -7.696 0.069 1.00 0.00 H new ATOM 0 HA TYR A 19 -19.879 -8.387 -2.019 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -17.525 -6.432 -1.991 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -18.668 -6.617 -3.306 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -21.230 -6.446 -2.618 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -17.997 -4.847 -0.286 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -22.814 -4.933 -1.459 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -19.580 -3.324 0.863 1.00 0.00 H new ATOM 0 HH TYR A 19 -21.695 -2.642 1.073 1.00 0.00 H new ATOM 345 N GLY A 20 -16.977 -9.665 -1.732 1.00 0.00 N ATOM 346 CA GLY A 20 -15.998 -10.622 -2.330 1.00 0.00 C ATOM 347 C GLY A 20 -14.727 -9.866 -2.709 1.00 0.00 C ATOM 348 O GLY A 20 -13.711 -9.993 -2.060 1.00 0.00 O ATOM 0 H GLY A 20 -16.862 -9.507 -0.731 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -15.766 -11.415 -1.619 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -16.428 -11.099 -3.211 1.00 0.00 H new ATOM 352 N ALA A 21 -14.800 -9.074 -3.755 1.00 0.00 N ATOM 353 CA ALA A 21 -13.625 -8.267 -4.234 1.00 0.00 C ATOM 354 C ALA A 21 -13.820 -7.952 -5.727 1.00 0.00 C ATOM 355 O ALA A 21 -12.913 -8.081 -6.525 1.00 0.00 O ATOM 356 CB ALA A 21 -12.304 -9.044 -4.035 1.00 0.00 C ATOM 0 H ALA A 21 -15.646 -8.949 -4.311 1.00 0.00 H new ATOM 0 HA ALA A 21 -13.566 -7.345 -3.656 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.469 -8.439 -4.389 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -12.168 -9.266 -2.976 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -12.342 -9.976 -4.599 1.00 0.00 H new ATOM 362 N LYS A 22 -15.000 -7.547 -6.119 1.00 0.00 N ATOM 363 CA LYS A 22 -15.236 -7.239 -7.568 1.00 0.00 C ATOM 364 C LYS A 22 -16.335 -6.178 -7.742 1.00 0.00 C ATOM 365 O LYS A 22 -16.582 -5.730 -8.843 1.00 0.00 O ATOM 366 CB LYS A 22 -15.656 -8.521 -8.289 1.00 0.00 C ATOM 367 CG LYS A 22 -16.954 -9.052 -7.678 1.00 0.00 C ATOM 368 CD LYS A 22 -17.241 -10.452 -8.223 1.00 0.00 C ATOM 369 CE LYS A 22 -18.481 -11.025 -7.531 1.00 0.00 C ATOM 370 NZ LYS A 22 -18.840 -12.329 -8.157 1.00 0.00 N ATOM 0 H LYS A 22 -15.806 -7.416 -5.508 1.00 0.00 H new ATOM 0 HA LYS A 22 -14.312 -6.846 -7.992 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -15.797 -8.323 -9.352 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -14.870 -9.271 -8.206 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -16.870 -9.083 -6.592 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -17.780 -8.382 -7.915 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -17.400 -10.409 -9.300 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -16.383 -11.103 -8.053 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -18.287 -11.161 -6.467 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -19.314 -10.327 -7.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -19.682 -12.719 -7.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -19.042 -12.185 -9.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -18.047 -12.994 -8.054 1.00 0.00 H new ATOM 384 N ASP A 23 -16.991 -5.766 -6.679 1.00 0.00 N ATOM 385 CA ASP A 23 -18.068 -4.727 -6.796 1.00 0.00 C ATOM 386 C ASP A 23 -17.569 -3.422 -6.174 1.00 0.00 C ATOM 387 O ASP A 23 -18.254 -2.791 -5.394 1.00 0.00 O ATOM 388 CB ASP A 23 -19.322 -5.205 -6.053 1.00 0.00 C ATOM 389 CG ASP A 23 -19.569 -6.681 -6.369 1.00 0.00 C ATOM 390 OD1 ASP A 23 -19.041 -7.516 -5.654 1.00 0.00 O ATOM 391 OD2 ASP A 23 -20.282 -6.952 -7.322 1.00 0.00 O ATOM 0 H ASP A 23 -16.826 -6.107 -5.732 1.00 0.00 H new ATOM 0 HA ASP A 23 -18.313 -4.564 -7.846 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -19.196 -5.068 -4.979 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -20.184 -4.609 -6.351 1.00 0.00 H new ATOM 396 N TRP A 24 -16.383 -3.012 -6.520 1.00 0.00 N ATOM 397 CA TRP A 24 -15.843 -1.747 -5.954 1.00 0.00 C ATOM 398 C TRP A 24 -16.704 -0.587 -6.439 1.00 0.00 C ATOM 399 O TRP A 24 -16.658 0.505 -5.908 1.00 0.00 O ATOM 400 CB TRP A 24 -14.397 -1.567 -6.413 1.00 0.00 C ATOM 401 CG TRP A 24 -13.615 -2.757 -5.970 1.00 0.00 C ATOM 402 CD1 TRP A 24 -13.410 -3.883 -6.691 1.00 0.00 C ATOM 403 CD2 TRP A 24 -12.948 -2.953 -4.703 1.00 0.00 C ATOM 404 NE1 TRP A 24 -12.648 -4.758 -5.935 1.00 0.00 N ATOM 405 CE2 TRP A 24 -12.338 -4.225 -4.699 1.00 0.00 C ATOM 406 CE3 TRP A 24 -12.815 -2.147 -3.570 1.00 0.00 C ATOM 407 CZ2 TRP A 24 -11.616 -4.682 -3.597 1.00 0.00 C ATOM 408 CZ3 TRP A 24 -12.092 -2.596 -2.459 1.00 0.00 C ATOM 409 CH2 TRP A 24 -11.492 -3.862 -2.471 1.00 0.00 C ATOM 0 H TRP A 24 -15.764 -3.497 -7.170 1.00 0.00 H new ATOM 0 HA TRP A 24 -15.863 -1.778 -4.865 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -14.352 -1.465 -7.497 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -13.975 -0.656 -5.990 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -13.779 -4.069 -7.689 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -12.352 -5.681 -6.252 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -13.274 -1.169 -3.551 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -11.157 -5.660 -3.613 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -11.996 -1.964 -1.589 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -10.934 -4.204 -1.612 1.00 0.00 H new ATOM 420 N ILE A 25 -17.512 -0.830 -7.430 1.00 0.00 N ATOM 421 CA ILE A 25 -18.406 0.236 -7.943 1.00 0.00 C ATOM 422 C ILE A 25 -19.513 0.454 -6.917 1.00 0.00 C ATOM 423 O ILE A 25 -19.985 1.552 -6.719 1.00 0.00 O ATOM 424 CB ILE A 25 -19.011 -0.192 -9.289 1.00 0.00 C ATOM 425 CG1 ILE A 25 -19.424 -1.668 -9.227 1.00 0.00 C ATOM 426 CG2 ILE A 25 -17.978 -0.004 -10.406 1.00 0.00 C ATOM 427 CD1 ILE A 25 -20.279 -2.013 -10.447 1.00 0.00 C ATOM 0 H ILE A 25 -17.590 -1.728 -7.908 1.00 0.00 H new ATOM 0 HA ILE A 25 -17.848 1.159 -8.097 1.00 0.00 H new ATOM 0 HB ILE A 25 -19.887 0.423 -9.495 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -18.539 -2.303 -9.200 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -19.983 -1.861 -8.312 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -18.412 -0.309 -11.358 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -17.687 1.045 -10.459 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -17.100 -0.614 -10.196 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -20.572 -3.062 -10.401 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -21.172 -1.387 -10.454 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -19.704 -1.836 -11.356 1.00 0.00 H new ATOM 439 N ARG A 26 -19.920 -0.592 -6.248 1.00 0.00 N ATOM 440 CA ARG A 26 -20.986 -0.453 -5.225 1.00 0.00 C ATOM 441 C ARG A 26 -20.358 0.118 -3.963 1.00 0.00 C ATOM 442 O ARG A 26 -20.829 1.079 -3.392 1.00 0.00 O ATOM 443 CB ARG A 26 -21.589 -1.826 -4.916 1.00 0.00 C ATOM 444 CG ARG A 26 -22.455 -2.287 -6.088 1.00 0.00 C ATOM 445 CD ARG A 26 -23.148 -3.597 -5.716 1.00 0.00 C ATOM 446 NE ARG A 26 -24.133 -3.958 -6.774 1.00 0.00 N ATOM 447 CZ ARG A 26 -24.781 -5.090 -6.705 1.00 0.00 C ATOM 448 NH1 ARG A 26 -24.565 -5.906 -5.710 1.00 0.00 N ATOM 449 NH2 ARG A 26 -25.645 -5.404 -7.631 1.00 0.00 N ATOM 0 H ARG A 26 -19.556 -1.537 -6.369 1.00 0.00 H new ATOM 0 HA ARG A 26 -21.775 0.205 -5.591 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -20.794 -2.549 -4.732 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -22.189 -1.774 -4.007 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -23.196 -1.525 -6.330 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -21.840 -2.427 -6.977 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -22.410 -4.392 -5.605 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -23.652 -3.494 -4.755 1.00 0.00 H new ATOM 0 HE ARG A 26 -24.301 -3.321 -7.553 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -23.890 -5.660 -4.986 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -25.071 -6.790 -5.656 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -25.814 -4.766 -8.408 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -26.151 -6.288 -7.578 1.00 0.00 H new ATOM 463 N ILE A 27 -19.288 -0.472 -3.523 1.00 0.00 N ATOM 464 CA ILE A 27 -18.618 0.031 -2.301 1.00 0.00 C ATOM 465 C ILE A 27 -18.286 1.513 -2.475 1.00 0.00 C ATOM 466 O ILE A 27 -18.337 2.288 -1.539 1.00 0.00 O ATOM 467 CB ILE A 27 -17.326 -0.749 -2.068 1.00 0.00 C ATOM 468 CG1 ILE A 27 -17.654 -2.241 -1.956 1.00 0.00 C ATOM 469 CG2 ILE A 27 -16.671 -0.262 -0.773 1.00 0.00 C ATOM 470 CD1 ILE A 27 -16.362 -3.064 -1.921 1.00 0.00 C ATOM 0 H ILE A 27 -18.848 -1.283 -3.958 1.00 0.00 H new ATOM 0 HA ILE A 27 -19.282 -0.099 -1.447 1.00 0.00 H new ATOM 0 HB ILE A 27 -16.640 -0.591 -2.900 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -18.237 -2.426 -1.054 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -18.269 -2.550 -2.801 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -15.748 -0.816 -0.602 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -16.446 0.801 -0.856 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -17.352 -0.424 0.063 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -16.607 -4.123 -1.841 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -15.795 -2.891 -2.836 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -15.763 -2.765 -1.061 1.00 0.00 H new ATOM 482 N SER A 28 -17.940 1.912 -3.667 1.00 0.00 N ATOM 483 CA SER A 28 -17.595 3.337 -3.901 1.00 0.00 C ATOM 484 C SER A 28 -18.872 4.179 -3.895 1.00 0.00 C ATOM 485 O SER A 28 -18.858 5.335 -3.526 1.00 0.00 O ATOM 486 CB SER A 28 -16.888 3.470 -5.248 1.00 0.00 C ATOM 487 OG SER A 28 -15.592 2.891 -5.155 1.00 0.00 O ATOM 0 H SER A 28 -17.882 1.310 -4.489 1.00 0.00 H new ATOM 0 HA SER A 28 -16.932 3.690 -3.111 1.00 0.00 H new ATOM 0 HB2 SER A 28 -17.467 2.973 -6.027 1.00 0.00 H new ATOM 0 HB3 SER A 28 -16.811 4.520 -5.530 1.00 0.00 H new ATOM 0 HG SER A 28 -15.644 1.937 -5.371 1.00 0.00 H new ATOM 493 N GLN A 29 -19.979 3.611 -4.289 1.00 0.00 N ATOM 494 CA GLN A 29 -21.246 4.401 -4.289 1.00 0.00 C ATOM 495 C GLN A 29 -21.558 4.821 -2.851 1.00 0.00 C ATOM 496 O GLN A 29 -21.967 5.936 -2.597 1.00 0.00 O ATOM 497 CB GLN A 29 -22.394 3.549 -4.860 1.00 0.00 C ATOM 498 CG GLN A 29 -22.315 3.520 -6.402 1.00 0.00 C ATOM 499 CD GLN A 29 -22.985 4.769 -6.988 1.00 0.00 C ATOM 500 OE1 GLN A 29 -23.983 5.235 -6.475 1.00 0.00 O ATOM 501 NE2 GLN A 29 -22.474 5.331 -8.049 1.00 0.00 N ATOM 0 H GLN A 29 -20.063 2.646 -4.608 1.00 0.00 H new ATOM 0 HA GLN A 29 -21.135 5.288 -4.913 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -22.336 2.534 -4.466 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -23.354 3.959 -4.545 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -21.273 3.474 -6.720 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -22.804 2.623 -6.782 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -21.636 4.940 -8.480 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -22.912 6.161 -8.448 1.00 0.00 H new ATOM 510 N LEU A 30 -21.346 3.946 -1.909 1.00 0.00 N ATOM 511 CA LEU A 30 -21.606 4.313 -0.493 1.00 0.00 C ATOM 512 C LEU A 30 -20.632 5.426 -0.110 1.00 0.00 C ATOM 513 O LEU A 30 -20.976 6.363 0.583 1.00 0.00 O ATOM 514 CB LEU A 30 -21.387 3.089 0.412 1.00 0.00 C ATOM 515 CG LEU A 30 -21.980 1.839 -0.245 1.00 0.00 C ATOM 516 CD1 LEU A 30 -21.866 0.662 0.724 1.00 0.00 C ATOM 517 CD2 LEU A 30 -23.455 2.082 -0.589 1.00 0.00 C ATOM 0 H LEU A 30 -21.005 2.996 -2.059 1.00 0.00 H new ATOM 0 HA LEU A 30 -22.635 4.652 -0.370 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -20.322 2.945 0.591 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -21.854 3.256 1.383 1.00 0.00 H new ATOM 0 HG LEU A 30 -21.434 1.615 -1.161 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -22.287 -0.231 0.262 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -20.817 0.488 0.963 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -22.413 0.890 1.639 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -23.871 1.190 -1.056 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -24.009 2.307 0.322 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -23.534 2.923 -1.278 1.00 0.00 H new ATOM 529 N MET A 31 -19.411 5.318 -0.578 1.00 0.00 N ATOM 530 CA MET A 31 -18.364 6.351 -0.282 1.00 0.00 C ATOM 531 C MET A 31 -17.827 6.913 -1.603 1.00 0.00 C ATOM 532 O MET A 31 -16.671 6.742 -1.937 1.00 0.00 O ATOM 533 CB MET A 31 -17.217 5.694 0.492 1.00 0.00 C ATOM 534 CG MET A 31 -17.669 5.394 1.925 1.00 0.00 C ATOM 535 SD MET A 31 -17.818 6.945 2.847 1.00 0.00 S ATOM 536 CE MET A 31 -18.687 6.272 4.285 1.00 0.00 C ATOM 0 H MET A 31 -19.090 4.546 -1.162 1.00 0.00 H new ATOM 0 HA MET A 31 -18.795 7.157 0.312 1.00 0.00 H new ATOM 0 HB2 MET A 31 -16.911 4.773 -0.004 1.00 0.00 H new ATOM 0 HB3 MET A 31 -16.349 6.353 0.504 1.00 0.00 H new ATOM 0 HG2 MET A 31 -18.625 4.871 1.914 1.00 0.00 H new ATOM 0 HG3 MET A 31 -16.951 4.735 2.414 1.00 0.00 H new ATOM 0 HE1 MET A 31 -18.884 7.072 4.998 1.00 0.00 H new ATOM 0 HE2 MET A 31 -19.631 5.830 3.966 1.00 0.00 H new ATOM 0 HE3 MET A 31 -18.070 5.508 4.758 1.00 0.00 H new ATOM 546 N ILE A 32 -18.658 7.583 -2.358 1.00 0.00 N ATOM 547 CA ILE A 32 -18.195 8.157 -3.656 1.00 0.00 C ATOM 548 C ILE A 32 -16.946 9.006 -3.425 1.00 0.00 C ATOM 549 O ILE A 32 -16.229 9.338 -4.349 1.00 0.00 O ATOM 550 CB ILE A 32 -19.303 9.032 -4.246 1.00 0.00 C ATOM 551 CG1 ILE A 32 -19.808 10.003 -3.175 1.00 0.00 C ATOM 552 CG2 ILE A 32 -20.459 8.148 -4.718 1.00 0.00 C ATOM 553 CD1 ILE A 32 -20.838 10.952 -3.789 1.00 0.00 C ATOM 0 H ILE A 32 -19.637 7.757 -2.132 1.00 0.00 H new ATOM 0 HA ILE A 32 -17.959 7.348 -4.347 1.00 0.00 H new ATOM 0 HB ILE A 32 -18.909 9.594 -5.093 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -20.255 9.449 -2.349 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -18.974 10.572 -2.763 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -21.247 8.773 -5.138 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -20.100 7.456 -5.480 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -20.854 7.584 -3.873 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -21.197 11.643 -3.026 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -20.376 11.515 -4.600 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -21.677 10.375 -4.180 1.00 0.00 H new ATOM 565 N THR A 33 -16.676 9.360 -2.201 1.00 0.00 N ATOM 566 CA THR A 33 -15.472 10.186 -1.916 1.00 0.00 C ATOM 567 C THR A 33 -14.227 9.474 -2.450 1.00 0.00 C ATOM 568 O THR A 33 -13.220 10.099 -2.721 1.00 0.00 O ATOM 569 CB THR A 33 -15.340 10.391 -0.404 1.00 0.00 C ATOM 570 OG1 THR A 33 -15.468 9.138 0.254 1.00 0.00 O ATOM 571 CG2 THR A 33 -16.437 11.338 0.085 1.00 0.00 C ATOM 0 H THR A 33 -17.237 9.113 -1.386 1.00 0.00 H new ATOM 0 HA THR A 33 -15.571 11.155 -2.404 1.00 0.00 H new ATOM 0 HB THR A 33 -14.365 10.824 -0.181 1.00 0.00 H new ATOM 0 HG1 THR A 33 -15.382 9.266 1.222 1.00 0.00 H new ATOM 0 HG21 THR A 33 -16.340 11.482 1.161 1.00 0.00 H new ATOM 0 HG22 THR A 33 -16.340 12.299 -0.420 1.00 0.00 H new ATOM 0 HG23 THR A 33 -17.414 10.909 -0.137 1.00 0.00 H new ATOM 579 N ARG A 34 -14.292 8.169 -2.606 1.00 0.00 N ATOM 580 CA ARG A 34 -13.120 7.386 -3.126 1.00 0.00 C ATOM 581 C ARG A 34 -13.517 6.732 -4.451 1.00 0.00 C ATOM 582 O ARG A 34 -14.665 6.398 -4.671 1.00 0.00 O ATOM 583 CB ARG A 34 -12.739 6.294 -2.090 1.00 0.00 C ATOM 584 CG ARG A 34 -11.557 6.757 -1.225 1.00 0.00 C ATOM 585 CD ARG A 34 -11.950 8.005 -0.424 1.00 0.00 C ATOM 586 NE ARG A 34 -13.248 7.774 0.273 1.00 0.00 N ATOM 587 CZ ARG A 34 -13.306 6.970 1.300 1.00 0.00 C ATOM 588 NH1 ARG A 34 -12.238 6.335 1.694 1.00 0.00 N ATOM 589 NH2 ARG A 34 -14.435 6.797 1.931 1.00 0.00 N ATOM 0 H ARG A 34 -15.116 7.607 -2.393 1.00 0.00 H new ATOM 0 HA ARG A 34 -12.265 8.043 -3.285 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -13.597 6.073 -1.455 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -12.478 5.370 -2.607 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -11.258 5.958 -0.546 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -10.697 6.977 -1.858 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -11.173 8.240 0.304 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -12.033 8.864 -1.090 1.00 0.00 H new ATOM 0 HE ARG A 34 -14.092 8.245 -0.053 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -11.355 6.466 1.200 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -12.285 5.707 2.497 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -15.273 7.290 1.622 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -14.480 6.169 2.733 1.00 0.00 H new ATOM 603 N ASN A 35 -12.571 6.543 -5.336 1.00 0.00 N ATOM 604 CA ASN A 35 -12.882 5.907 -6.649 1.00 0.00 C ATOM 605 C ASN A 35 -12.647 4.393 -6.546 1.00 0.00 C ATOM 606 O ASN A 35 -11.808 3.956 -5.783 1.00 0.00 O ATOM 607 CB ASN A 35 -11.963 6.498 -7.724 1.00 0.00 C ATOM 608 CG ASN A 35 -11.964 8.024 -7.613 1.00 0.00 C ATOM 609 OD1 ASN A 35 -12.974 8.620 -7.296 1.00 0.00 O ATOM 610 ND2 ASN A 35 -10.867 8.685 -7.862 1.00 0.00 N ATOM 0 H ASN A 35 -11.594 6.803 -5.204 1.00 0.00 H new ATOM 0 HA ASN A 35 -13.922 6.095 -6.915 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -10.950 6.115 -7.602 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -12.302 6.194 -8.714 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -10.857 9.702 -7.790 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -10.019 8.184 -8.128 1.00 0.00 H new ATOM 617 N PRO A 36 -13.359 3.584 -7.306 1.00 0.00 N ATOM 618 CA PRO A 36 -13.172 2.108 -7.268 1.00 0.00 C ATOM 619 C PRO A 36 -11.686 1.731 -7.227 1.00 0.00 C ATOM 620 O PRO A 36 -11.292 0.755 -6.625 1.00 0.00 O ATOM 621 CB PRO A 36 -13.814 1.639 -8.583 1.00 0.00 C ATOM 622 CG PRO A 36 -14.905 2.629 -8.843 1.00 0.00 C ATOM 623 CD PRO A 36 -14.411 3.970 -8.273 1.00 0.00 C ATOM 0 HA PRO A 36 -13.613 1.651 -6.382 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -13.088 1.626 -9.396 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -14.210 0.627 -8.493 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -15.110 2.711 -9.910 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -15.834 2.320 -8.363 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -14.015 4.615 -9.057 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -15.218 4.518 -7.787 1.00 0.00 H new ATOM 631 N ARG A 37 -10.869 2.511 -7.880 1.00 0.00 N ATOM 632 CA ARG A 37 -9.408 2.228 -7.914 1.00 0.00 C ATOM 633 C ARG A 37 -8.762 2.561 -6.564 1.00 0.00 C ATOM 634 O ARG A 37 -7.739 2.013 -6.209 1.00 0.00 O ATOM 635 CB ARG A 37 -8.757 3.082 -9.004 1.00 0.00 C ATOM 636 CG ARG A 37 -9.237 2.609 -10.378 1.00 0.00 C ATOM 637 CD ARG A 37 -8.624 3.493 -11.466 1.00 0.00 C ATOM 638 NE ARG A 37 -9.172 4.874 -11.352 1.00 0.00 N ATOM 639 CZ ARG A 37 -10.400 5.122 -11.717 1.00 0.00 C ATOM 640 NH1 ARG A 37 -11.150 4.160 -12.183 1.00 0.00 N ATOM 641 NH2 ARG A 37 -10.878 6.332 -11.615 1.00 0.00 N ATOM 0 H ARG A 37 -11.156 3.342 -8.397 1.00 0.00 H new ATOM 0 HA ARG A 37 -9.260 1.169 -8.124 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -9.012 4.132 -8.859 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -7.671 3.006 -8.940 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -8.952 1.569 -10.536 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -10.325 2.652 -10.430 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -7.539 3.512 -11.366 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -8.846 3.082 -12.451 1.00 0.00 H new ATOM 0 HE ARG A 37 -8.587 5.626 -10.988 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -10.776 3.214 -12.262 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -12.110 4.354 -12.468 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -10.292 7.083 -11.250 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -11.838 6.527 -11.900 1.00 0.00 H new ATOM 655 N GLN A 38 -9.324 3.475 -5.821 1.00 0.00 N ATOM 656 CA GLN A 38 -8.704 3.854 -4.519 1.00 0.00 C ATOM 657 C GLN A 38 -8.866 2.744 -3.479 1.00 0.00 C ATOM 658 O GLN A 38 -7.925 2.393 -2.796 1.00 0.00 O ATOM 659 CB GLN A 38 -9.361 5.137 -4.008 1.00 0.00 C ATOM 660 CG GLN A 38 -9.028 6.296 -4.954 1.00 0.00 C ATOM 661 CD GLN A 38 -7.552 6.671 -4.807 1.00 0.00 C ATOM 662 OE1 GLN A 38 -6.870 6.172 -3.934 1.00 0.00 O ATOM 663 NE2 GLN A 38 -7.026 7.537 -5.629 1.00 0.00 N ATOM 0 H GLN A 38 -10.182 3.974 -6.057 1.00 0.00 H new ATOM 0 HA GLN A 38 -7.637 4.012 -4.677 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.441 5.004 -3.945 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -9.008 5.363 -3.002 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -9.240 6.010 -5.984 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -9.657 7.157 -4.726 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -7.598 7.957 -6.362 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -6.043 7.794 -5.538 1.00 0.00 H new ATOM 672 N CYS A 39 -10.038 2.188 -3.330 1.00 0.00 N ATOM 673 CA CYS A 39 -10.219 1.116 -2.314 1.00 0.00 C ATOM 674 C CYS A 39 -9.757 -0.220 -2.896 1.00 0.00 C ATOM 675 O CYS A 39 -9.322 -1.103 -2.182 1.00 0.00 O ATOM 676 CB CYS A 39 -11.690 1.043 -1.937 1.00 0.00 C ATOM 677 SG CYS A 39 -12.241 2.660 -1.340 1.00 0.00 S ATOM 0 H CYS A 39 -10.872 2.429 -3.865 1.00 0.00 H new ATOM 0 HA CYS A 39 -9.627 1.336 -1.426 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -12.283 0.741 -2.800 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -11.842 0.288 -1.166 1.00 0.00 H new ATOM 0 HG CYS A 39 -13.499 2.599 -1.020 1.00 0.00 H new ATOM 683 N ARG A 40 -9.832 -0.374 -4.190 1.00 0.00 N ATOM 684 CA ARG A 40 -9.378 -1.648 -4.814 1.00 0.00 C ATOM 685 C ARG A 40 -7.875 -1.782 -4.586 1.00 0.00 C ATOM 686 O ARG A 40 -7.383 -2.813 -4.172 1.00 0.00 O ATOM 687 CB ARG A 40 -9.688 -1.604 -6.319 1.00 0.00 C ATOM 688 CG ARG A 40 -8.951 -2.715 -7.094 1.00 0.00 C ATOM 689 CD ARG A 40 -9.257 -4.084 -6.487 1.00 0.00 C ATOM 690 NE ARG A 40 -8.758 -5.152 -7.399 1.00 0.00 N ATOM 691 CZ ARG A 40 -9.387 -5.407 -8.514 1.00 0.00 C ATOM 692 NH1 ARG A 40 -10.455 -4.728 -8.832 1.00 0.00 N ATOM 693 NH2 ARG A 40 -8.946 -6.341 -9.313 1.00 0.00 N ATOM 0 H ARG A 40 -10.188 0.326 -4.841 1.00 0.00 H new ATOM 0 HA ARG A 40 -9.891 -2.502 -4.373 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -10.762 -1.708 -6.471 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -9.402 -0.632 -6.720 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -9.254 -2.699 -8.141 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -7.877 -2.532 -7.070 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -8.784 -4.175 -5.509 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -10.330 -4.194 -6.333 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.924 -5.684 -7.152 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -10.799 -3.997 -8.209 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -10.946 -4.928 -9.704 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -8.110 -6.871 -9.066 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -9.437 -6.541 -10.184 1.00 0.00 H new ATOM 707 N GLU A 41 -7.139 -0.736 -4.850 1.00 0.00 N ATOM 708 CA GLU A 41 -5.664 -0.790 -4.646 1.00 0.00 C ATOM 709 C GLU A 41 -5.373 -1.342 -3.250 1.00 0.00 C ATOM 710 O GLU A 41 -4.370 -1.989 -3.028 1.00 0.00 O ATOM 711 CB GLU A 41 -5.073 0.624 -4.789 1.00 0.00 C ATOM 712 CG GLU A 41 -4.932 0.986 -6.275 1.00 0.00 C ATOM 713 CD GLU A 41 -4.680 2.488 -6.420 1.00 0.00 C ATOM 714 OE1 GLU A 41 -5.336 3.249 -5.726 1.00 0.00 O ATOM 715 OE2 GLU A 41 -3.837 2.853 -7.222 1.00 0.00 O ATOM 0 H GLU A 41 -7.496 0.154 -5.198 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.209 -1.440 -5.394 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.716 1.348 -4.289 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.100 0.672 -4.301 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.109 0.425 -6.719 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -5.837 0.706 -6.815 1.00 0.00 H new ATOM 722 N ARG A 42 -6.242 -1.100 -2.304 1.00 0.00 N ATOM 723 CA ARG A 42 -5.987 -1.634 -0.931 1.00 0.00 C ATOM 724 C ARG A 42 -6.096 -3.158 -0.938 1.00 0.00 C ATOM 725 O ARG A 42 -5.316 -3.845 -0.309 1.00 0.00 O ATOM 726 CB ARG A 42 -7.011 -1.070 0.047 1.00 0.00 C ATOM 727 CG ARG A 42 -6.977 0.462 0.021 1.00 0.00 C ATOM 728 CD ARG A 42 -5.569 0.984 0.372 1.00 0.00 C ATOM 729 NE ARG A 42 -4.744 1.047 -0.867 1.00 0.00 N ATOM 730 CZ ARG A 42 -3.518 1.495 -0.814 1.00 0.00 C ATOM 731 NH1 ARG A 42 -3.015 1.888 0.324 1.00 0.00 N ATOM 732 NH2 ARG A 42 -2.797 1.550 -1.900 1.00 0.00 N ATOM 0 H ARG A 42 -7.103 -0.565 -2.417 1.00 0.00 H new ATOM 0 HA ARG A 42 -4.985 -1.338 -0.622 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -8.008 -1.424 -0.215 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -6.799 -1.429 1.054 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -7.267 0.820 -0.967 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -7.704 0.859 0.730 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -5.638 1.972 0.827 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -5.097 0.328 1.104 1.00 0.00 H new ATOM 0 HE ARG A 42 -5.137 0.740 -1.757 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -3.579 1.845 1.173 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -2.058 2.238 0.365 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -3.191 1.243 -2.790 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -1.840 1.900 -1.859 1.00 0.00 H new ATOM 746 N TRP A 43 -7.066 -3.693 -1.633 1.00 0.00 N ATOM 747 CA TRP A 43 -7.242 -5.178 -1.674 1.00 0.00 C ATOM 748 C TRP A 43 -5.898 -5.868 -1.890 1.00 0.00 C ATOM 749 O TRP A 43 -5.472 -6.652 -1.078 1.00 0.00 O ATOM 750 CB TRP A 43 -8.162 -5.515 -2.854 1.00 0.00 C ATOM 751 CG TRP A 43 -8.535 -6.965 -2.840 1.00 0.00 C ATOM 752 CD1 TRP A 43 -8.207 -7.859 -3.804 1.00 0.00 C ATOM 753 CD2 TRP A 43 -9.309 -7.703 -1.848 1.00 0.00 C ATOM 754 NE1 TRP A 43 -8.727 -9.094 -3.467 1.00 0.00 N ATOM 755 CE2 TRP A 43 -9.411 -9.051 -2.268 1.00 0.00 C ATOM 756 CE3 TRP A 43 -9.923 -7.339 -0.638 1.00 0.00 C ATOM 757 CZ2 TRP A 43 -10.096 -10.004 -1.511 1.00 0.00 C ATOM 758 CZ3 TRP A 43 -10.615 -8.293 0.125 1.00 0.00 C ATOM 759 CH2 TRP A 43 -10.699 -9.624 -0.310 1.00 0.00 C ATOM 0 H TRP A 43 -7.748 -3.164 -2.177 1.00 0.00 H new ATOM 0 HA TRP A 43 -7.667 -5.521 -0.731 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -9.062 -4.903 -2.805 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -7.662 -5.272 -3.792 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -7.632 -7.641 -4.692 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -8.619 -9.935 -4.034 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -9.862 -6.318 -0.292 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -10.159 -11.027 -1.852 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -11.085 -8.000 1.052 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -11.229 -10.354 0.283 1.00 0.00 H new ATOM 770 N ASN A 44 -5.216 -5.564 -2.955 1.00 0.00 N ATOM 771 CA ASN A 44 -3.898 -6.220 -3.209 1.00 0.00 C ATOM 772 C ASN A 44 -2.792 -5.559 -2.388 1.00 0.00 C ATOM 773 O ASN A 44 -1.912 -6.221 -1.874 1.00 0.00 O ATOM 774 CB ASN A 44 -3.557 -6.103 -4.697 1.00 0.00 C ATOM 775 CG ASN A 44 -4.750 -6.569 -5.532 1.00 0.00 C ATOM 776 OD1 ASN A 44 -4.754 -7.672 -6.043 1.00 0.00 O ATOM 777 ND2 ASN A 44 -5.770 -5.772 -5.694 1.00 0.00 N ATOM 0 H ASN A 44 -5.510 -4.891 -3.663 1.00 0.00 H new ATOM 0 HA ASN A 44 -3.969 -7.268 -2.917 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -3.308 -5.071 -4.944 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -2.680 -6.707 -4.928 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -6.570 -6.074 -6.249 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -5.767 -4.846 -5.265 1.00 0.00 H new ATOM 784 N ASN A 45 -2.807 -4.259 -2.275 1.00 0.00 N ATOM 785 CA ASN A 45 -1.730 -3.568 -1.506 1.00 0.00 C ATOM 786 C ASN A 45 -2.029 -3.593 -0.006 1.00 0.00 C ATOM 787 O ASN A 45 -1.442 -2.846 0.752 1.00 0.00 O ATOM 788 CB ASN A 45 -1.626 -2.115 -1.974 1.00 0.00 C ATOM 789 CG ASN A 45 -1.557 -2.073 -3.501 1.00 0.00 C ATOM 790 OD1 ASN A 45 -1.531 -3.100 -4.148 1.00 0.00 O ATOM 791 ND2 ASN A 45 -1.528 -0.918 -4.110 1.00 0.00 N ATOM 0 H ASN A 45 -3.515 -3.646 -2.680 1.00 0.00 H new ATOM 0 HA ASN A 45 -0.789 -4.089 -1.683 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -2.487 -1.546 -1.623 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.739 -1.647 -1.547 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -1.484 -0.879 -5.128 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -1.550 -0.055 -3.567 1.00 0.00 H new ATOM 798 N TYR A 46 -2.924 -4.436 0.450 1.00 0.00 N ATOM 799 CA TYR A 46 -3.209 -4.468 1.921 1.00 0.00 C ATOM 800 C TYR A 46 -3.701 -5.862 2.347 1.00 0.00 C ATOM 801 O TYR A 46 -3.096 -6.491 3.194 1.00 0.00 O ATOM 802 CB TYR A 46 -4.250 -3.375 2.267 1.00 0.00 C ATOM 803 CG TYR A 46 -3.875 -2.688 3.574 1.00 0.00 C ATOM 804 CD1 TYR A 46 -3.776 -3.442 4.751 1.00 0.00 C ATOM 805 CD2 TYR A 46 -3.619 -1.308 3.608 1.00 0.00 C ATOM 806 CE1 TYR A 46 -3.426 -2.821 5.955 1.00 0.00 C ATOM 807 CE2 TYR A 46 -3.270 -0.690 4.813 1.00 0.00 C ATOM 808 CZ TYR A 46 -3.174 -1.446 5.987 1.00 0.00 C ATOM 809 OH TYR A 46 -2.827 -0.835 7.175 1.00 0.00 O ATOM 0 H TYR A 46 -3.460 -5.091 -0.118 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.291 -4.263 2.472 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -4.299 -2.641 1.463 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -5.241 -3.820 2.353 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -3.970 -4.504 4.729 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -3.692 -0.723 2.703 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -3.350 -3.404 6.861 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -3.074 0.372 4.838 1.00 0.00 H new ATOM 0 HH TYR A 46 -2.686 0.122 7.021 1.00 0.00 H new ATOM 819 N ILE A 47 -4.783 -6.359 1.784 1.00 0.00 N ATOM 820 CA ILE A 47 -5.282 -7.723 2.191 1.00 0.00 C ATOM 821 C ILE A 47 -5.876 -8.488 0.989 1.00 0.00 C ATOM 822 O ILE A 47 -6.804 -8.058 0.333 1.00 0.00 O ATOM 823 CB ILE A 47 -6.313 -7.609 3.360 1.00 0.00 C ATOM 824 CG1 ILE A 47 -7.747 -7.296 2.880 1.00 0.00 C ATOM 825 CG2 ILE A 47 -5.882 -6.509 4.335 1.00 0.00 C ATOM 826 CD1 ILE A 47 -7.793 -5.954 2.146 1.00 0.00 C ATOM 0 H ILE A 47 -5.337 -5.888 1.069 1.00 0.00 H new ATOM 0 HA ILE A 47 -4.429 -8.299 2.550 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.327 -8.585 3.846 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -8.095 -8.089 2.219 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -8.424 -7.272 3.734 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.607 -6.437 5.146 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -4.901 -6.750 4.745 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -5.831 -5.556 3.809 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -8.813 -5.754 1.817 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -7.466 -5.160 2.818 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -7.133 -5.990 1.280 1.00 0.00 H new ATOM 838 N ASN A 48 -5.321 -9.645 0.722 1.00 0.00 N ATOM 839 CA ASN A 48 -5.796 -10.528 -0.393 1.00 0.00 C ATOM 840 C ASN A 48 -4.875 -11.765 -0.477 1.00 0.00 C ATOM 841 O ASN A 48 -5.350 -12.878 -0.578 1.00 0.00 O ATOM 842 CB ASN A 48 -5.830 -9.750 -1.747 1.00 0.00 C ATOM 843 CG ASN A 48 -4.988 -10.431 -2.841 1.00 0.00 C ATOM 844 OD1 ASN A 48 -5.432 -11.368 -3.474 1.00 0.00 O ATOM 845 ND2 ASN A 48 -3.783 -9.990 -3.084 1.00 0.00 N ATOM 0 H ASN A 48 -4.534 -10.026 1.247 1.00 0.00 H new ATOM 0 HA ASN A 48 -6.816 -10.855 -0.190 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -6.862 -9.665 -2.088 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -5.462 -8.736 -1.589 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -3.214 -10.432 -3.806 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -3.411 -9.203 -2.552 1.00 0.00 H new ATOM 852 N PRO A 49 -3.569 -11.579 -0.453 1.00 0.00 N ATOM 853 CA PRO A 49 -2.594 -12.691 -0.547 1.00 0.00 C ATOM 854 C PRO A 49 -2.075 -13.127 0.833 1.00 0.00 C ATOM 855 O PRO A 49 -1.333 -14.081 0.946 1.00 0.00 O ATOM 856 CB PRO A 49 -1.469 -12.063 -1.396 1.00 0.00 C ATOM 857 CG PRO A 49 -1.549 -10.564 -1.140 1.00 0.00 C ATOM 858 CD PRO A 49 -2.848 -10.306 -0.334 1.00 0.00 C ATOM 0 HA PRO A 49 -3.019 -13.599 -0.974 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.495 -12.458 -1.109 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -1.605 -12.288 -2.454 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -0.676 -10.221 -0.584 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.564 -10.013 -2.080 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.635 -10.058 0.706 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.422 -9.477 -0.748 1.00 0.00 H new ATOM 866 N ALA A 50 -2.448 -12.426 1.873 1.00 0.00 N ATOM 867 CA ALA A 50 -1.966 -12.790 3.239 1.00 0.00 C ATOM 868 C ALA A 50 -0.473 -12.463 3.328 1.00 0.00 C ATOM 869 O ALA A 50 0.356 -13.317 3.572 1.00 0.00 O ATOM 870 CB ALA A 50 -2.214 -14.288 3.508 1.00 0.00 C ATOM 0 H ALA A 50 -3.067 -11.616 1.835 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.510 -12.221 3.993 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.859 -14.542 4.507 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.281 -14.498 3.438 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.678 -14.884 2.770 1.00 0.00 H new ATOM 876 N LEU A 51 -0.134 -11.220 3.114 1.00 0.00 N ATOM 877 CA LEU A 51 1.296 -10.787 3.158 1.00 0.00 C ATOM 878 C LEU A 51 1.619 -10.243 4.555 1.00 0.00 C ATOM 879 O LEU A 51 2.464 -9.385 4.719 1.00 0.00 O ATOM 880 CB LEU A 51 1.538 -9.702 2.081 1.00 0.00 C ATOM 881 CG LEU A 51 0.282 -8.835 1.888 1.00 0.00 C ATOM 882 CD1 LEU A 51 -0.091 -8.142 3.200 1.00 0.00 C ATOM 883 CD2 LEU A 51 0.557 -7.783 0.811 1.00 0.00 C ATOM 0 H LEU A 51 -0.797 -10.473 2.907 1.00 0.00 H new ATOM 0 HA LEU A 51 1.949 -11.635 2.952 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.378 -9.073 2.374 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.808 -10.174 1.137 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.548 -9.471 1.580 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.981 -7.532 3.049 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.291 -8.893 3.964 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.734 -7.507 3.523 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.330 -7.166 0.670 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.391 -7.154 1.121 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.806 -8.279 -0.127 1.00 0.00 H new ATOM 895 N ARG A 52 0.961 -10.742 5.564 1.00 0.00 N ATOM 896 CA ARG A 52 1.241 -10.258 6.945 1.00 0.00 C ATOM 897 C ARG A 52 2.728 -10.450 7.250 1.00 0.00 C ATOM 898 O ARG A 52 3.226 -10.016 8.270 1.00 0.00 O ATOM 899 CB ARG A 52 0.405 -11.057 7.947 1.00 0.00 C ATOM 900 CG ARG A 52 -1.081 -10.777 7.710 1.00 0.00 C ATOM 901 CD ARG A 52 -1.911 -11.490 8.779 1.00 0.00 C ATOM 902 NE ARG A 52 -3.339 -11.081 8.654 1.00 0.00 N ATOM 903 CZ ARG A 52 -4.227 -11.544 9.492 1.00 0.00 C ATOM 904 NH1 ARG A 52 -3.866 -12.367 10.439 1.00 0.00 N ATOM 905 NH2 ARG A 52 -5.476 -11.185 9.382 1.00 0.00 N ATOM 0 H ARG A 52 0.243 -11.463 5.493 1.00 0.00 H new ATOM 0 HA ARG A 52 0.983 -9.202 7.024 1.00 0.00 H new ATOM 0 HB2 ARG A 52 0.607 -12.122 7.838 1.00 0.00 H new ATOM 0 HB3 ARG A 52 0.680 -10.783 8.966 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -1.270 -9.704 7.744 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -1.373 -11.121 6.718 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -1.820 -12.570 8.665 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -1.536 -11.241 9.772 1.00 0.00 H new ATOM 0 HE ARG A 52 -3.623 -10.439 7.914 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -2.889 -12.649 10.525 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -4.560 -12.728 11.093 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -5.759 -10.543 8.642 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -6.170 -11.546 10.036 1.00 0.00 H new ATOM 919 N THR A 53 3.444 -11.101 6.368 1.00 0.00 N ATOM 920 CA THR A 53 4.903 -11.327 6.595 1.00 0.00 C ATOM 921 C THR A 53 5.596 -11.553 5.249 1.00 0.00 C ATOM 922 O THR A 53 6.060 -12.637 4.956 1.00 0.00 O ATOM 923 CB THR A 53 5.095 -12.562 7.480 1.00 0.00 C ATOM 924 OG1 THR A 53 6.437 -13.014 7.373 1.00 0.00 O ATOM 925 CG2 THR A 53 4.142 -13.669 7.027 1.00 0.00 C ATOM 0 H THR A 53 3.079 -11.487 5.497 1.00 0.00 H new ATOM 0 HA THR A 53 5.336 -10.456 7.087 1.00 0.00 H new ATOM 0 HB THR A 53 4.880 -12.305 8.517 1.00 0.00 H new ATOM 0 HG1 THR A 53 6.594 -13.361 6.470 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.279 -14.548 7.657 1.00 0.00 H new ATOM 0 HG22 THR A 53 3.113 -13.320 7.110 1.00 0.00 H new ATOM 0 HG23 THR A 53 4.354 -13.930 5.990 1.00 0.00 H new ATOM 933 N ASP A 54 5.666 -10.532 4.429 1.00 0.00 N ATOM 934 CA ASP A 54 6.325 -10.653 3.087 1.00 0.00 C ATOM 935 C ASP A 54 7.315 -9.499 2.909 1.00 0.00 C ATOM 936 O ASP A 54 7.106 -8.619 2.098 1.00 0.00 O ATOM 937 CB ASP A 54 5.257 -10.569 1.994 1.00 0.00 C ATOM 938 CG ASP A 54 5.897 -10.840 0.632 1.00 0.00 C ATOM 939 OD1 ASP A 54 6.652 -9.998 0.177 1.00 0.00 O ATOM 940 OD2 ASP A 54 5.621 -11.885 0.067 1.00 0.00 O ATOM 0 H ASP A 54 5.290 -9.607 4.634 1.00 0.00 H new ATOM 0 HA ASP A 54 6.850 -11.606 3.018 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.467 -11.294 2.187 1.00 0.00 H new ATOM 0 HB3 ASP A 54 4.793 -9.583 2.000 1.00 0.00 H new ATOM 945 N PRO A 55 8.386 -9.494 3.666 1.00 0.00 N ATOM 946 CA PRO A 55 9.413 -8.416 3.587 1.00 0.00 C ATOM 947 C PRO A 55 10.332 -8.592 2.377 1.00 0.00 C ATOM 948 O PRO A 55 10.793 -9.678 2.084 1.00 0.00 O ATOM 949 CB PRO A 55 10.190 -8.584 4.896 1.00 0.00 C ATOM 950 CG PRO A 55 10.140 -10.053 5.153 1.00 0.00 C ATOM 951 CD PRO A 55 8.751 -10.509 4.677 1.00 0.00 C ATOM 0 HA PRO A 55 8.975 -7.425 3.465 1.00 0.00 H new ATOM 0 HB2 PRO A 55 11.216 -8.229 4.801 1.00 0.00 H new ATOM 0 HB3 PRO A 55 9.732 -8.020 5.708 1.00 0.00 H new ATOM 0 HG2 PRO A 55 10.930 -10.573 4.611 1.00 0.00 H new ATOM 0 HG3 PRO A 55 10.283 -10.271 6.211 1.00 0.00 H new ATOM 0 HD2 PRO A 55 8.782 -11.511 4.248 1.00 0.00 H new ATOM 0 HD3 PRO A 55 8.034 -10.535 5.497 1.00 0.00 H new ATOM 959 N TRP A 56 10.603 -7.529 1.675 1.00 0.00 N ATOM 960 CA TRP A 56 11.495 -7.621 0.481 1.00 0.00 C ATOM 961 C TRP A 56 12.961 -7.579 0.937 1.00 0.00 C ATOM 962 O TRP A 56 13.256 -7.684 2.111 1.00 0.00 O ATOM 963 CB TRP A 56 11.186 -6.474 -0.510 1.00 0.00 C ATOM 964 CG TRP A 56 10.612 -5.276 0.186 1.00 0.00 C ATOM 965 CD1 TRP A 56 9.334 -5.159 0.623 1.00 0.00 C ATOM 966 CD2 TRP A 56 11.264 -4.013 0.495 1.00 0.00 C ATOM 967 NE1 TRP A 56 9.154 -3.893 1.158 1.00 0.00 N ATOM 968 CE2 TRP A 56 10.320 -3.152 1.109 1.00 0.00 C ATOM 969 CE3 TRP A 56 12.570 -3.535 0.301 1.00 0.00 C ATOM 970 CZ2 TRP A 56 10.666 -1.859 1.507 1.00 0.00 C ATOM 971 CZ3 TRP A 56 12.921 -2.241 0.702 1.00 0.00 C ATOM 972 CH2 TRP A 56 11.971 -1.401 1.302 1.00 0.00 C ATOM 0 H TRP A 56 10.245 -6.595 1.875 1.00 0.00 H new ATOM 0 HA TRP A 56 11.316 -8.564 -0.036 1.00 0.00 H new ATOM 0 HB2 TRP A 56 12.100 -6.188 -1.032 1.00 0.00 H new ATOM 0 HB3 TRP A 56 10.484 -6.826 -1.266 1.00 0.00 H new ATOM 0 HD1 TRP A 56 8.578 -5.928 0.564 1.00 0.00 H new ATOM 0 HE1 TRP A 56 8.272 -3.551 1.540 1.00 0.00 H new ATOM 0 HE3 TRP A 56 13.310 -4.171 -0.162 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 9.931 -1.217 1.970 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 13.930 -1.887 0.549 1.00 0.00 H new ATOM 0 HH2 TRP A 56 12.247 -0.402 1.605 1.00 0.00 H new ATOM 983 N SER A 57 13.881 -7.454 0.005 1.00 0.00 N ATOM 984 CA SER A 57 15.341 -7.436 0.353 1.00 0.00 C ATOM 985 C SER A 57 16.032 -6.274 -0.396 1.00 0.00 C ATOM 986 O SER A 57 15.394 -5.541 -1.125 1.00 0.00 O ATOM 987 CB SER A 57 15.936 -8.804 -0.056 1.00 0.00 C ATOM 988 OG SER A 57 14.868 -9.707 -0.309 1.00 0.00 O ATOM 0 H SER A 57 13.680 -7.363 -0.991 1.00 0.00 H new ATOM 0 HA SER A 57 15.494 -7.279 1.421 1.00 0.00 H new ATOM 0 HB2 SER A 57 16.558 -8.695 -0.945 1.00 0.00 H new ATOM 0 HB3 SER A 57 16.577 -9.190 0.737 1.00 0.00 H new ATOM 0 HG SER A 57 15.232 -10.578 -0.571 1.00 0.00 H new ATOM 994 N PRO A 58 17.325 -6.099 -0.210 1.00 0.00 N ATOM 995 CA PRO A 58 18.104 -4.999 -0.869 1.00 0.00 C ATOM 996 C PRO A 58 17.829 -4.871 -2.377 1.00 0.00 C ATOM 997 O PRO A 58 18.183 -3.890 -2.996 1.00 0.00 O ATOM 998 CB PRO A 58 19.563 -5.392 -0.601 1.00 0.00 C ATOM 999 CG PRO A 58 19.505 -6.113 0.702 1.00 0.00 C ATOM 1000 CD PRO A 58 18.205 -6.923 0.651 1.00 0.00 C ATOM 0 HA PRO A 58 17.831 -4.021 -0.473 1.00 0.00 H new ATOM 0 HB2 PRO A 58 19.957 -6.029 -1.393 1.00 0.00 H new ATOM 0 HB3 PRO A 58 20.209 -4.516 -0.545 1.00 0.00 H new ATOM 0 HG2 PRO A 58 20.370 -6.763 0.832 1.00 0.00 H new ATOM 0 HG3 PRO A 58 19.502 -5.415 1.539 1.00 0.00 H new ATOM 0 HD2 PRO A 58 18.365 -7.915 0.230 1.00 0.00 H new ATOM 0 HD3 PRO A 58 17.779 -7.063 1.644 1.00 0.00 H new ATOM 1008 N GLU A 59 17.210 -5.854 -2.966 1.00 0.00 N ATOM 1009 CA GLU A 59 16.923 -5.799 -4.421 1.00 0.00 C ATOM 1010 C GLU A 59 15.819 -4.783 -4.664 1.00 0.00 C ATOM 1011 O GLU A 59 15.883 -3.992 -5.583 1.00 0.00 O ATOM 1012 CB GLU A 59 16.468 -7.176 -4.908 1.00 0.00 C ATOM 1013 CG GLU A 59 17.640 -8.157 -4.832 1.00 0.00 C ATOM 1014 CD GLU A 59 17.180 -9.541 -5.296 1.00 0.00 C ATOM 1015 OE1 GLU A 59 17.078 -9.737 -6.496 1.00 0.00 O ATOM 1016 OE2 GLU A 59 16.939 -10.379 -4.445 1.00 0.00 O ATOM 0 H GLU A 59 16.889 -6.700 -2.495 1.00 0.00 H new ATOM 0 HA GLU A 59 17.822 -5.508 -4.965 1.00 0.00 H new ATOM 0 HB2 GLU A 59 15.640 -7.534 -4.297 1.00 0.00 H new ATOM 0 HB3 GLU A 59 16.102 -7.109 -5.933 1.00 0.00 H new ATOM 0 HG2 GLU A 59 18.462 -7.807 -5.457 1.00 0.00 H new ATOM 0 HG3 GLU A 59 18.017 -8.211 -3.811 1.00 0.00 H new ATOM 1023 N GLU A 60 14.806 -4.779 -3.836 1.00 0.00 N ATOM 1024 CA GLU A 60 13.718 -3.790 -4.021 1.00 0.00 C ATOM 1025 C GLU A 60 14.158 -2.482 -3.369 1.00 0.00 C ATOM 1026 O GLU A 60 13.711 -1.420 -3.733 1.00 0.00 O ATOM 1027 CB GLU A 60 12.432 -4.302 -3.372 1.00 0.00 C ATOM 1028 CG GLU A 60 12.186 -5.753 -3.794 1.00 0.00 C ATOM 1029 CD GLU A 60 12.102 -5.835 -5.319 1.00 0.00 C ATOM 1030 OE1 GLU A 60 11.079 -5.447 -5.859 1.00 0.00 O ATOM 1031 OE2 GLU A 60 13.062 -6.285 -5.922 1.00 0.00 O ATOM 0 H GLU A 60 14.691 -5.415 -3.047 1.00 0.00 H new ATOM 0 HA GLU A 60 13.521 -3.632 -5.081 1.00 0.00 H new ATOM 0 HB2 GLU A 60 12.509 -4.236 -2.287 1.00 0.00 H new ATOM 0 HB3 GLU A 60 11.589 -3.678 -3.670 1.00 0.00 H new ATOM 0 HG2 GLU A 60 12.991 -6.390 -3.429 1.00 0.00 H new ATOM 0 HG3 GLU A 60 11.262 -6.121 -3.348 1.00 0.00 H new ATOM 1038 N ASP A 61 15.053 -2.554 -2.416 1.00 0.00 N ATOM 1039 CA ASP A 61 15.536 -1.306 -1.755 1.00 0.00 C ATOM 1040 C ASP A 61 16.305 -0.473 -2.783 1.00 0.00 C ATOM 1041 O ASP A 61 15.969 0.661 -3.059 1.00 0.00 O ATOM 1042 CB ASP A 61 16.470 -1.666 -0.583 1.00 0.00 C ATOM 1043 CG ASP A 61 16.530 -0.503 0.415 1.00 0.00 C ATOM 1044 OD1 ASP A 61 15.485 -0.121 0.914 1.00 0.00 O ATOM 1045 OD2 ASP A 61 17.621 -0.016 0.661 1.00 0.00 O ATOM 0 H ASP A 61 15.468 -3.419 -2.069 1.00 0.00 H new ATOM 0 HA ASP A 61 14.688 -0.738 -1.372 1.00 0.00 H new ATOM 0 HB2 ASP A 61 16.111 -2.566 -0.084 1.00 0.00 H new ATOM 0 HB3 ASP A 61 17.469 -1.886 -0.958 1.00 0.00 H new ATOM 1050 N MET A 62 17.334 -1.040 -3.355 1.00 0.00 N ATOM 1051 CA MET A 62 18.124 -0.296 -4.367 1.00 0.00 C ATOM 1052 C MET A 62 17.209 0.074 -5.532 1.00 0.00 C ATOM 1053 O MET A 62 17.337 1.127 -6.125 1.00 0.00 O ATOM 1054 CB MET A 62 19.279 -1.175 -4.868 1.00 0.00 C ATOM 1055 CG MET A 62 18.728 -2.380 -5.640 1.00 0.00 C ATOM 1056 SD MET A 62 20.034 -3.619 -5.834 1.00 0.00 S ATOM 1057 CE MET A 62 20.783 -2.928 -7.330 1.00 0.00 C ATOM 0 H MET A 62 17.658 -1.988 -3.162 1.00 0.00 H new ATOM 0 HA MET A 62 18.537 0.610 -3.923 1.00 0.00 H new ATOM 0 HB2 MET A 62 19.938 -0.592 -5.511 1.00 0.00 H new ATOM 0 HB3 MET A 62 19.878 -1.517 -4.024 1.00 0.00 H new ATOM 0 HG2 MET A 62 17.880 -2.810 -5.107 1.00 0.00 H new ATOM 0 HG3 MET A 62 18.363 -2.064 -6.617 1.00 0.00 H new ATOM 0 HE1 MET A 62 21.627 -3.548 -7.634 1.00 0.00 H new ATOM 0 HE2 MET A 62 20.043 -2.905 -8.130 1.00 0.00 H new ATOM 0 HE3 MET A 62 21.131 -1.915 -7.128 1.00 0.00 H new ATOM 1067 N LEU A 63 16.277 -0.783 -5.859 1.00 0.00 N ATOM 1068 CA LEU A 63 15.347 -0.467 -6.985 1.00 0.00 C ATOM 1069 C LEU A 63 14.299 0.535 -6.490 1.00 0.00 C ATOM 1070 O LEU A 63 13.794 1.346 -7.240 1.00 0.00 O ATOM 1071 CB LEU A 63 14.656 -1.754 -7.466 1.00 0.00 C ATOM 1072 CG LEU A 63 14.003 -1.534 -8.854 1.00 0.00 C ATOM 1073 CD1 LEU A 63 15.038 -1.706 -9.978 1.00 0.00 C ATOM 1074 CD2 LEU A 63 12.878 -2.557 -9.064 1.00 0.00 C ATOM 0 H LEU A 63 16.120 -1.680 -5.400 1.00 0.00 H new ATOM 0 HA LEU A 63 15.904 -0.037 -7.818 1.00 0.00 H new ATOM 0 HB2 LEU A 63 15.383 -2.564 -7.524 1.00 0.00 H new ATOM 0 HB3 LEU A 63 13.897 -2.058 -6.745 1.00 0.00 H new ATOM 0 HG LEU A 63 13.605 -0.520 -8.885 1.00 0.00 H new ATOM 0 HD11 LEU A 63 14.557 -1.547 -10.943 1.00 0.00 H new ATOM 0 HD12 LEU A 63 15.840 -0.979 -9.848 1.00 0.00 H new ATOM 0 HD13 LEU A 63 15.452 -2.714 -9.941 1.00 0.00 H new ATOM 0 HD21 LEU A 63 12.421 -2.400 -10.041 1.00 0.00 H new ATOM 0 HD22 LEU A 63 13.289 -3.565 -9.014 1.00 0.00 H new ATOM 0 HD23 LEU A 63 12.124 -2.434 -8.286 1.00 0.00 H new ATOM 1086 N LEU A 64 13.980 0.485 -5.225 1.00 0.00 N ATOM 1087 CA LEU A 64 12.976 1.434 -4.667 1.00 0.00 C ATOM 1088 C LEU A 64 13.622 2.808 -4.543 1.00 0.00 C ATOM 1089 O LEU A 64 13.004 3.816 -4.793 1.00 0.00 O ATOM 1090 CB LEU A 64 12.518 0.939 -3.282 1.00 0.00 C ATOM 1091 CG LEU A 64 11.677 2.027 -2.539 1.00 0.00 C ATOM 1092 CD1 LEU A 64 10.510 1.375 -1.784 1.00 0.00 C ATOM 1093 CD2 LEU A 64 12.544 2.781 -1.511 1.00 0.00 C ATOM 0 H LEU A 64 14.373 -0.174 -4.553 1.00 0.00 H new ATOM 0 HA LEU A 64 12.108 1.495 -5.324 1.00 0.00 H new ATOM 0 HB2 LEU A 64 11.924 0.032 -3.396 1.00 0.00 H new ATOM 0 HB3 LEU A 64 13.389 0.676 -2.681 1.00 0.00 H new ATOM 0 HG LEU A 64 11.303 2.722 -3.291 1.00 0.00 H new ATOM 0 HD11 LEU A 64 9.933 2.145 -1.271 1.00 0.00 H new ATOM 0 HD12 LEU A 64 9.867 0.850 -2.491 1.00 0.00 H new ATOM 0 HD13 LEU A 64 10.900 0.667 -1.053 1.00 0.00 H new ATOM 0 HD21 LEU A 64 11.938 3.533 -1.006 1.00 0.00 H new ATOM 0 HD22 LEU A 64 12.933 2.076 -0.777 1.00 0.00 H new ATOM 0 HD23 LEU A 64 13.374 3.268 -2.023 1.00 0.00 H new ATOM 1105 N ASP A 65 14.870 2.860 -4.166 1.00 0.00 N ATOM 1106 CA ASP A 65 15.551 4.180 -4.037 1.00 0.00 C ATOM 1107 C ASP A 65 15.316 4.989 -5.313 1.00 0.00 C ATOM 1108 O ASP A 65 15.262 6.201 -5.295 1.00 0.00 O ATOM 1109 CB ASP A 65 17.052 3.959 -3.842 1.00 0.00 C ATOM 1110 CG ASP A 65 17.718 5.280 -3.455 1.00 0.00 C ATOM 1111 OD1 ASP A 65 17.105 6.038 -2.722 1.00 0.00 O ATOM 1112 OD2 ASP A 65 18.831 5.513 -3.898 1.00 0.00 O ATOM 0 H ASP A 65 15.446 2.049 -3.942 1.00 0.00 H new ATOM 0 HA ASP A 65 15.150 4.721 -3.180 1.00 0.00 H new ATOM 0 HB2 ASP A 65 17.222 3.213 -3.066 1.00 0.00 H new ATOM 0 HB3 ASP A 65 17.495 3.571 -4.759 1.00 0.00 H new ATOM 1117 N GLN A 66 15.167 4.314 -6.421 1.00 0.00 N ATOM 1118 CA GLN A 66 14.926 5.028 -7.710 1.00 0.00 C ATOM 1119 C GLN A 66 13.459 5.453 -7.809 1.00 0.00 C ATOM 1120 O GLN A 66 13.149 6.549 -8.233 1.00 0.00 O ATOM 1121 CB GLN A 66 15.268 4.101 -8.877 1.00 0.00 C ATOM 1122 CG GLN A 66 16.660 3.503 -8.664 1.00 0.00 C ATOM 1123 CD GLN A 66 17.021 2.612 -9.855 1.00 0.00 C ATOM 1124 OE1 GLN A 66 17.470 1.497 -9.679 1.00 0.00 O ATOM 1125 NE2 GLN A 66 16.841 3.059 -11.067 1.00 0.00 N ATOM 0 H GLN A 66 15.202 3.297 -6.490 1.00 0.00 H new ATOM 0 HA GLN A 66 15.557 5.916 -7.749 1.00 0.00 H new ATOM 0 HB2 GLN A 66 14.527 3.305 -8.952 1.00 0.00 H new ATOM 0 HB3 GLN A 66 15.238 4.654 -9.816 1.00 0.00 H new ATOM 0 HG2 GLN A 66 17.397 4.299 -8.555 1.00 0.00 H new ATOM 0 HG3 GLN A 66 16.681 2.922 -7.742 1.00 0.00 H new ATOM 0 HE21 GLN A 66 16.464 3.995 -11.215 1.00 0.00 H new ATOM 0 HE22 GLN A 66 17.077 2.472 -11.867 1.00 0.00 H new ATOM 1134 N LYS A 67 12.551 4.594 -7.434 1.00 0.00 N ATOM 1135 CA LYS A 67 11.102 4.952 -7.520 1.00 0.00 C ATOM 1136 C LYS A 67 10.730 5.877 -6.360 1.00 0.00 C ATOM 1137 O LYS A 67 10.200 6.952 -6.552 1.00 0.00 O ATOM 1138 CB LYS A 67 10.261 3.677 -7.444 1.00 0.00 C ATOM 1139 CG LYS A 67 10.605 2.767 -8.624 1.00 0.00 C ATOM 1140 CD LYS A 67 9.717 1.521 -8.587 1.00 0.00 C ATOM 1141 CE LYS A 67 9.953 0.687 -9.847 1.00 0.00 C ATOM 1142 NZ LYS A 67 11.330 0.118 -9.816 1.00 0.00 N ATOM 0 H LYS A 67 12.747 3.661 -7.072 1.00 0.00 H new ATOM 0 HA LYS A 67 10.910 5.463 -8.464 1.00 0.00 H new ATOM 0 HB2 LYS A 67 10.451 3.159 -6.504 1.00 0.00 H new ATOM 0 HB3 LYS A 67 9.200 3.927 -7.461 1.00 0.00 H new ATOM 0 HG2 LYS A 67 10.460 3.301 -9.563 1.00 0.00 H new ATOM 0 HG3 LYS A 67 11.655 2.479 -8.580 1.00 0.00 H new ATOM 0 HD2 LYS A 67 9.940 0.929 -7.699 1.00 0.00 H new ATOM 0 HD3 LYS A 67 8.668 1.811 -8.521 1.00 0.00 H new ATOM 0 HE2 LYS A 67 9.218 -0.115 -9.908 1.00 0.00 H new ATOM 0 HE3 LYS A 67 9.824 1.306 -10.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 11.418 -0.617 -10.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 12.022 0.873 -9.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 11.512 -0.300 -8.881 1.00 0.00 H new ATOM 1156 N TYR A 68 11.011 5.465 -5.156 1.00 0.00 N ATOM 1157 CA TYR A 68 10.686 6.310 -3.971 1.00 0.00 C ATOM 1158 C TYR A 68 11.277 7.711 -4.180 1.00 0.00 C ATOM 1159 O TYR A 68 10.653 8.712 -3.894 1.00 0.00 O ATOM 1160 CB TYR A 68 11.285 5.647 -2.713 1.00 0.00 C ATOM 1161 CG TYR A 68 11.442 6.656 -1.595 1.00 0.00 C ATOM 1162 CD1 TYR A 68 12.579 7.470 -1.554 1.00 0.00 C ATOM 1163 CD2 TYR A 68 10.454 6.781 -0.610 1.00 0.00 C ATOM 1164 CE1 TYR A 68 12.731 8.409 -0.530 1.00 0.00 C ATOM 1165 CE2 TYR A 68 10.607 7.721 0.415 1.00 0.00 C ATOM 1166 CZ TYR A 68 11.745 8.535 0.457 1.00 0.00 C ATOM 1167 OH TYR A 68 11.895 9.463 1.468 1.00 0.00 O ATOM 0 H TYR A 68 11.455 4.573 -4.939 1.00 0.00 H new ATOM 0 HA TYR A 68 9.607 6.401 -3.845 1.00 0.00 H new ATOM 0 HB2 TYR A 68 10.641 4.831 -2.385 1.00 0.00 H new ATOM 0 HB3 TYR A 68 12.254 5.210 -2.953 1.00 0.00 H new ATOM 0 HD1 TYR A 68 13.340 7.373 -2.314 1.00 0.00 H new ATOM 0 HD2 TYR A 68 9.576 6.153 -0.642 1.00 0.00 H new ATOM 0 HE1 TYR A 68 13.609 9.038 -0.500 1.00 0.00 H new ATOM 0 HE2 TYR A 68 9.846 7.819 1.175 1.00 0.00 H new ATOM 0 HH TYR A 68 11.121 9.421 2.068 1.00 0.00 H new ATOM 1177 N ALA A 69 12.473 7.785 -4.680 1.00 0.00 N ATOM 1178 CA ALA A 69 13.100 9.114 -4.913 1.00 0.00 C ATOM 1179 C ALA A 69 12.146 9.973 -5.750 1.00 0.00 C ATOM 1180 O ALA A 69 12.088 11.179 -5.609 1.00 0.00 O ATOM 1181 CB ALA A 69 14.422 8.916 -5.663 1.00 0.00 C ATOM 0 H ALA A 69 13.047 6.982 -4.939 1.00 0.00 H new ATOM 0 HA ALA A 69 13.296 9.613 -3.964 1.00 0.00 H new ATOM 0 HB1 ALA A 69 14.889 9.885 -5.839 1.00 0.00 H new ATOM 0 HB2 ALA A 69 15.089 8.294 -5.066 1.00 0.00 H new ATOM 0 HB3 ALA A 69 14.229 8.428 -6.618 1.00 0.00 H new ATOM 1187 N GLU A 70 11.392 9.349 -6.619 1.00 0.00 N ATOM 1188 CA GLU A 70 10.428 10.096 -7.477 1.00 0.00 C ATOM 1189 C GLU A 70 9.050 10.123 -6.807 1.00 0.00 C ATOM 1190 O GLU A 70 8.463 11.168 -6.607 1.00 0.00 O ATOM 1191 CB GLU A 70 10.323 9.385 -8.830 1.00 0.00 C ATOM 1192 CG GLU A 70 11.605 9.617 -9.637 1.00 0.00 C ATOM 1193 CD GLU A 70 11.654 11.070 -10.119 1.00 0.00 C ATOM 1194 OE1 GLU A 70 10.994 11.371 -11.099 1.00 0.00 O ATOM 1195 OE2 GLU A 70 12.351 11.855 -9.497 1.00 0.00 O ATOM 0 H GLU A 70 11.405 8.340 -6.771 1.00 0.00 H new ATOM 0 HA GLU A 70 10.775 11.120 -7.617 1.00 0.00 H new ATOM 0 HB2 GLU A 70 10.165 8.317 -8.679 1.00 0.00 H new ATOM 0 HB3 GLU A 70 9.461 9.760 -9.383 1.00 0.00 H new ATOM 0 HG2 GLU A 70 12.478 9.398 -9.022 1.00 0.00 H new ATOM 0 HG3 GLU A 70 11.637 8.939 -10.490 1.00 0.00 H new ATOM 1202 N TYR A 71 8.521 8.972 -6.484 1.00 0.00 N ATOM 1203 CA TYR A 71 7.169 8.913 -5.854 1.00 0.00 C ATOM 1204 C TYR A 71 7.240 9.316 -4.379 1.00 0.00 C ATOM 1205 O TYR A 71 6.407 10.055 -3.892 1.00 0.00 O ATOM 1206 CB TYR A 71 6.630 7.488 -5.977 1.00 0.00 C ATOM 1207 CG TYR A 71 6.407 7.161 -7.436 1.00 0.00 C ATOM 1208 CD1 TYR A 71 5.238 7.589 -8.076 1.00 0.00 C ATOM 1209 CD2 TYR A 71 7.367 6.432 -8.151 1.00 0.00 C ATOM 1210 CE1 TYR A 71 5.028 7.290 -9.427 1.00 0.00 C ATOM 1211 CE2 TYR A 71 7.157 6.133 -9.502 1.00 0.00 C ATOM 1212 CZ TYR A 71 5.986 6.562 -10.140 1.00 0.00 C ATOM 1213 OH TYR A 71 5.779 6.267 -11.473 1.00 0.00 O ATOM 0 H TYR A 71 8.969 8.067 -6.630 1.00 0.00 H new ATOM 0 HA TYR A 71 6.505 9.610 -6.365 1.00 0.00 H new ATOM 0 HB2 TYR A 71 7.334 6.782 -5.538 1.00 0.00 H new ATOM 0 HB3 TYR A 71 5.696 7.392 -5.424 1.00 0.00 H new ATOM 0 HD1 TYR A 71 4.497 8.151 -7.527 1.00 0.00 H new ATOM 0 HD2 TYR A 71 8.270 6.101 -7.659 1.00 0.00 H new ATOM 0 HE1 TYR A 71 4.126 7.622 -9.919 1.00 0.00 H new ATOM 0 HE2 TYR A 71 7.897 5.572 -10.052 1.00 0.00 H new ATOM 0 HH TYR A 71 6.542 5.757 -11.817 1.00 0.00 H new ATOM 1223 N GLY A 72 8.222 8.841 -3.662 1.00 0.00 N ATOM 1224 CA GLY A 72 8.344 9.196 -2.210 1.00 0.00 C ATOM 1225 C GLY A 72 7.665 8.104 -1.374 1.00 0.00 C ATOM 1226 O GLY A 72 7.636 6.959 -1.779 1.00 0.00 O ATOM 0 H GLY A 72 8.950 8.220 -4.016 1.00 0.00 H new ATOM 0 HA2 GLY A 72 9.394 9.287 -1.931 1.00 0.00 H new ATOM 0 HA3 GLY A 72 7.878 10.163 -2.018 1.00 0.00 H new ATOM 1230 N PRO A 73 7.120 8.423 -0.218 1.00 0.00 N ATOM 1231 CA PRO A 73 6.455 7.399 0.631 1.00 0.00 C ATOM 1232 C PRO A 73 5.062 7.048 0.105 1.00 0.00 C ATOM 1233 O PRO A 73 4.196 6.624 0.845 1.00 0.00 O ATOM 1234 CB PRO A 73 6.390 8.058 2.018 1.00 0.00 C ATOM 1235 CG PRO A 73 6.318 9.531 1.737 1.00 0.00 C ATOM 1236 CD PRO A 73 7.070 9.763 0.409 1.00 0.00 C ATOM 0 HA PRO A 73 6.994 6.452 0.644 1.00 0.00 H new ATOM 0 HB2 PRO A 73 5.518 7.718 2.577 1.00 0.00 H new ATOM 0 HB3 PRO A 73 7.268 7.811 2.615 1.00 0.00 H new ATOM 0 HG2 PRO A 73 5.282 9.860 1.658 1.00 0.00 H new ATOM 0 HG3 PRO A 73 6.774 10.103 2.546 1.00 0.00 H new ATOM 0 HD2 PRO A 73 6.548 10.480 -0.224 1.00 0.00 H new ATOM 0 HD3 PRO A 73 8.070 10.160 0.582 1.00 0.00 H new ATOM 1244 N LYS A 74 4.845 7.203 -1.175 1.00 0.00 N ATOM 1245 CA LYS A 74 3.519 6.858 -1.752 1.00 0.00 C ATOM 1246 C LYS A 74 3.497 5.354 -2.007 1.00 0.00 C ATOM 1247 O LYS A 74 3.381 4.902 -3.130 1.00 0.00 O ATOM 1248 CB LYS A 74 3.332 7.613 -3.068 1.00 0.00 C ATOM 1249 CG LYS A 74 2.985 9.078 -2.782 1.00 0.00 C ATOM 1250 CD LYS A 74 2.765 9.818 -4.104 1.00 0.00 C ATOM 1251 CE LYS A 74 2.291 11.244 -3.818 1.00 0.00 C ATOM 1252 NZ LYS A 74 1.003 11.198 -3.071 1.00 0.00 N ATOM 0 H LYS A 74 5.531 7.554 -1.843 1.00 0.00 H new ATOM 0 HA LYS A 74 2.715 7.135 -1.070 1.00 0.00 H new ATOM 0 HB2 LYS A 74 4.243 7.555 -3.663 1.00 0.00 H new ATOM 0 HB3 LYS A 74 2.538 7.150 -3.654 1.00 0.00 H new ATOM 0 HG2 LYS A 74 2.087 9.137 -2.166 1.00 0.00 H new ATOM 0 HG3 LYS A 74 3.790 9.550 -2.218 1.00 0.00 H new ATOM 0 HD2 LYS A 74 3.691 9.840 -4.679 1.00 0.00 H new ATOM 0 HD3 LYS A 74 2.026 9.292 -4.709 1.00 0.00 H new ATOM 0 HE2 LYS A 74 3.042 11.779 -3.237 1.00 0.00 H new ATOM 0 HE3 LYS A 74 2.163 11.790 -4.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 0.357 11.920 -3.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 0.573 10.257 -3.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 1.179 11.385 -2.063 1.00 0.00 H new ATOM 1266 N TRP A 75 3.627 4.577 -0.969 1.00 0.00 N ATOM 1267 CA TRP A 75 3.636 3.100 -1.121 1.00 0.00 C ATOM 1268 C TRP A 75 2.467 2.655 -2.012 1.00 0.00 C ATOM 1269 O TRP A 75 2.415 1.532 -2.472 1.00 0.00 O ATOM 1270 CB TRP A 75 3.521 2.449 0.264 1.00 0.00 C ATOM 1271 CG TRP A 75 4.266 3.259 1.285 1.00 0.00 C ATOM 1272 CD1 TRP A 75 3.707 3.811 2.386 1.00 0.00 C ATOM 1273 CD2 TRP A 75 5.682 3.615 1.327 1.00 0.00 C ATOM 1274 NE1 TRP A 75 4.693 4.450 3.117 1.00 0.00 N ATOM 1275 CE2 TRP A 75 5.922 4.368 2.501 1.00 0.00 C ATOM 1276 CE3 TRP A 75 6.774 3.357 0.478 1.00 0.00 C ATOM 1277 CZ2 TRP A 75 7.193 4.845 2.824 1.00 0.00 C ATOM 1278 CZ3 TRP A 75 8.055 3.839 0.798 1.00 0.00 C ATOM 1279 CH2 TRP A 75 8.264 4.580 1.969 1.00 0.00 C ATOM 0 H TRP A 75 3.729 4.909 -0.010 1.00 0.00 H new ATOM 0 HA TRP A 75 4.569 2.789 -1.591 1.00 0.00 H new ATOM 0 HB2 TRP A 75 2.472 2.368 0.549 1.00 0.00 H new ATOM 0 HB3 TRP A 75 3.921 1.436 0.231 1.00 0.00 H new ATOM 0 HD1 TRP A 75 2.661 3.761 2.651 1.00 0.00 H new ATOM 0 HE1 TRP A 75 4.529 4.925 4.005 1.00 0.00 H new ATOM 0 HE3 TRP A 75 6.627 2.785 -0.426 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 7.347 5.415 3.728 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 8.884 3.637 0.137 1.00 0.00 H new ATOM 0 HH2 TRP A 75 9.252 4.945 2.209 1.00 0.00 H new ATOM 1290 N ASN A 76 1.537 3.532 -2.259 1.00 0.00 N ATOM 1291 CA ASN A 76 0.378 3.171 -3.120 1.00 0.00 C ATOM 1292 C ASN A 76 0.861 3.029 -4.561 1.00 0.00 C ATOM 1293 O ASN A 76 0.380 2.205 -5.314 1.00 0.00 O ATOM 1294 CB ASN A 76 -0.683 4.271 -3.041 1.00 0.00 C ATOM 1295 CG ASN A 76 -1.940 3.825 -3.790 1.00 0.00 C ATOM 1296 OD1 ASN A 76 -1.868 3.021 -4.697 1.00 0.00 O ATOM 1297 ND2 ASN A 76 -3.098 4.317 -3.445 1.00 0.00 N ATOM 0 H ASN A 76 1.529 4.487 -1.901 1.00 0.00 H new ATOM 0 HA ASN A 76 -0.057 2.231 -2.780 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -0.924 4.484 -2.000 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -0.298 5.194 -3.474 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -3.943 4.026 -3.937 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -3.159 4.992 -2.683 1.00 0.00 H new ATOM 1304 N LYS A 77 1.825 3.822 -4.945 1.00 0.00 N ATOM 1305 CA LYS A 77 2.366 3.737 -6.330 1.00 0.00 C ATOM 1306 C LYS A 77 3.406 2.625 -6.371 1.00 0.00 C ATOM 1307 O LYS A 77 3.618 1.991 -7.379 1.00 0.00 O ATOM 1308 CB LYS A 77 3.042 5.059 -6.691 1.00 0.00 C ATOM 1309 CG LYS A 77 2.040 6.226 -6.586 1.00 0.00 C ATOM 1310 CD LYS A 77 1.115 6.257 -7.812 1.00 0.00 C ATOM 1311 CE LYS A 77 0.314 7.561 -7.810 1.00 0.00 C ATOM 1312 NZ LYS A 77 -0.415 7.695 -6.516 1.00 0.00 N ATOM 0 H LYS A 77 2.263 4.529 -4.354 1.00 0.00 H new ATOM 0 HA LYS A 77 1.560 3.534 -7.035 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.886 5.236 -6.025 1.00 0.00 H new ATOM 0 HB3 LYS A 77 3.441 5.005 -7.704 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.446 6.122 -5.678 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.580 7.170 -6.507 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.702 6.179 -8.727 1.00 0.00 H new ATOM 0 HD3 LYS A 77 0.439 5.402 -7.794 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.982 8.411 -7.953 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -0.393 7.568 -8.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -1.179 8.393 -6.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -0.820 6.775 -6.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 0.245 8.010 -5.777 1.00 0.00 H new ATOM 1326 N ILE A 78 4.059 2.393 -5.272 1.00 0.00 N ATOM 1327 CA ILE A 78 5.092 1.326 -5.219 1.00 0.00 C ATOM 1328 C ILE A 78 4.405 -0.038 -5.136 1.00 0.00 C ATOM 1329 O ILE A 78 4.677 -0.939 -5.905 1.00 0.00 O ATOM 1330 CB ILE A 78 5.949 1.543 -3.970 1.00 0.00 C ATOM 1331 CG1 ILE A 78 6.304 3.035 -3.844 1.00 0.00 C ATOM 1332 CG2 ILE A 78 7.226 0.702 -4.054 1.00 0.00 C ATOM 1333 CD1 ILE A 78 6.912 3.559 -5.150 1.00 0.00 C ATOM 0 H ILE A 78 3.921 2.902 -4.399 1.00 0.00 H new ATOM 0 HA ILE A 78 5.717 1.360 -6.112 1.00 0.00 H new ATOM 0 HB ILE A 78 5.386 1.232 -3.090 1.00 0.00 H new ATOM 0 HG12 ILE A 78 5.410 3.607 -3.598 1.00 0.00 H new ATOM 0 HG13 ILE A 78 7.009 3.178 -3.025 1.00 0.00 H new ATOM 0 HG21 ILE A 78 7.828 0.864 -3.160 1.00 0.00 H new ATOM 0 HG22 ILE A 78 6.963 -0.353 -4.127 1.00 0.00 H new ATOM 0 HG23 ILE A 78 7.798 0.995 -4.935 1.00 0.00 H new ATOM 0 HD11 ILE A 78 7.156 4.616 -5.040 1.00 0.00 H new ATOM 0 HD12 ILE A 78 7.819 2.999 -5.379 1.00 0.00 H new ATOM 0 HD13 ILE A 78 6.194 3.435 -5.961 1.00 0.00 H new ATOM 1345 N SER A 79 3.526 -0.188 -4.188 1.00 0.00 N ATOM 1346 CA SER A 79 2.813 -1.486 -4.011 1.00 0.00 C ATOM 1347 C SER A 79 2.242 -1.981 -5.340 1.00 0.00 C ATOM 1348 O SER A 79 2.027 -3.163 -5.522 1.00 0.00 O ATOM 1349 CB SER A 79 1.677 -1.311 -3.004 1.00 0.00 C ATOM 1350 OG SER A 79 1.183 -2.590 -2.630 1.00 0.00 O ATOM 0 H SER A 79 3.267 0.539 -3.521 1.00 0.00 H new ATOM 0 HA SER A 79 3.526 -2.224 -3.644 1.00 0.00 H new ATOM 0 HB2 SER A 79 2.034 -0.774 -2.125 1.00 0.00 H new ATOM 0 HB3 SER A 79 0.877 -0.712 -3.440 1.00 0.00 H new ATOM 0 HG SER A 79 1.915 -3.129 -2.263 1.00 0.00 H new ATOM 1356 N LYS A 80 1.982 -1.104 -6.272 1.00 0.00 N ATOM 1357 CA LYS A 80 1.413 -1.564 -7.576 1.00 0.00 C ATOM 1358 C LYS A 80 2.543 -2.138 -8.427 1.00 0.00 C ATOM 1359 O LYS A 80 2.331 -2.971 -9.285 1.00 0.00 O ATOM 1360 CB LYS A 80 0.702 -0.382 -8.284 1.00 0.00 C ATOM 1361 CG LYS A 80 1.670 0.447 -9.179 1.00 0.00 C ATOM 1362 CD LYS A 80 1.687 -0.100 -10.635 1.00 0.00 C ATOM 1363 CE LYS A 80 0.617 0.604 -11.486 1.00 0.00 C ATOM 1364 NZ LYS A 80 -0.637 0.752 -10.695 1.00 0.00 N ATOM 0 H LYS A 80 2.136 -0.099 -6.191 1.00 0.00 H new ATOM 0 HA LYS A 80 0.669 -2.344 -7.416 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -0.114 -0.767 -8.896 1.00 0.00 H new ATOM 0 HB3 LYS A 80 0.256 0.272 -7.534 1.00 0.00 H new ATOM 0 HG2 LYS A 80 1.362 1.493 -9.183 1.00 0.00 H new ATOM 0 HG3 LYS A 80 2.676 0.413 -8.762 1.00 0.00 H new ATOM 0 HD2 LYS A 80 2.671 0.055 -11.077 1.00 0.00 H new ATOM 0 HD3 LYS A 80 1.506 -1.175 -10.628 1.00 0.00 H new ATOM 0 HE2 LYS A 80 0.976 1.583 -11.802 1.00 0.00 H new ATOM 0 HE3 LYS A 80 0.422 0.029 -12.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -1.364 1.213 -11.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -0.974 -0.187 -10.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -0.450 1.333 -9.853 1.00 0.00 H new ATOM 1378 N PHE A 81 3.747 -1.704 -8.178 1.00 0.00 N ATOM 1379 CA PHE A 81 4.899 -2.229 -8.950 1.00 0.00 C ATOM 1380 C PHE A 81 5.257 -3.587 -8.356 1.00 0.00 C ATOM 1381 O PHE A 81 6.073 -4.319 -8.882 1.00 0.00 O ATOM 1382 CB PHE A 81 6.086 -1.253 -8.822 1.00 0.00 C ATOM 1383 CG PHE A 81 5.976 -0.163 -9.876 1.00 0.00 C ATOM 1384 CD1 PHE A 81 6.093 -0.497 -11.232 1.00 0.00 C ATOM 1385 CD2 PHE A 81 5.760 1.173 -9.505 1.00 0.00 C ATOM 1386 CE1 PHE A 81 5.994 0.497 -12.212 1.00 0.00 C ATOM 1387 CE2 PHE A 81 5.662 2.167 -10.486 1.00 0.00 C ATOM 1388 CZ PHE A 81 5.778 1.829 -11.839 1.00 0.00 C ATOM 0 H PHE A 81 3.980 -1.007 -7.471 1.00 0.00 H new ATOM 0 HA PHE A 81 4.657 -2.332 -10.008 1.00 0.00 H new ATOM 0 HB2 PHE A 81 6.097 -0.809 -7.827 1.00 0.00 H new ATOM 0 HB3 PHE A 81 7.026 -1.792 -8.941 1.00 0.00 H new ATOM 0 HD1 PHE A 81 6.260 -1.524 -11.521 1.00 0.00 H new ATOM 0 HD2 PHE A 81 5.669 1.435 -8.461 1.00 0.00 H new ATOM 0 HE1 PHE A 81 6.084 0.237 -13.256 1.00 0.00 H new ATOM 0 HE2 PHE A 81 5.497 3.195 -10.199 1.00 0.00 H new ATOM 0 HZ PHE A 81 5.701 2.596 -12.596 1.00 0.00 H new ATOM 1398 N LEU A 82 4.632 -3.920 -7.252 1.00 0.00 N ATOM 1399 CA LEU A 82 4.894 -5.232 -6.572 1.00 0.00 C ATOM 1400 C LEU A 82 3.634 -6.099 -6.677 1.00 0.00 C ATOM 1401 O LEU A 82 3.638 -7.137 -7.306 1.00 0.00 O ATOM 1402 CB LEU A 82 5.240 -4.972 -5.098 1.00 0.00 C ATOM 1403 CG LEU A 82 6.294 -3.854 -4.995 1.00 0.00 C ATOM 1404 CD1 LEU A 82 6.527 -3.498 -3.529 1.00 0.00 C ATOM 1405 CD2 LEU A 82 7.618 -4.314 -5.622 1.00 0.00 C ATOM 0 H LEU A 82 3.942 -3.331 -6.786 1.00 0.00 H new ATOM 0 HA LEU A 82 5.728 -5.749 -7.046 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.342 -4.688 -4.549 1.00 0.00 H new ATOM 0 HB3 LEU A 82 5.619 -5.885 -4.638 1.00 0.00 H new ATOM 0 HG LEU A 82 5.929 -2.978 -5.531 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.273 -2.707 -3.461 1.00 0.00 H new ATOM 0 HD12 LEU A 82 5.593 -3.155 -3.085 1.00 0.00 H new ATOM 0 HD13 LEU A 82 6.882 -4.378 -2.993 1.00 0.00 H new ATOM 0 HD21 LEU A 82 8.355 -3.515 -5.543 1.00 0.00 H new ATOM 0 HD22 LEU A 82 7.982 -5.197 -5.096 1.00 0.00 H new ATOM 0 HD23 LEU A 82 7.458 -4.557 -6.672 1.00 0.00 H new ATOM 1417 N LYS A 83 2.553 -5.672 -6.072 1.00 0.00 N ATOM 1418 CA LYS A 83 1.280 -6.445 -6.135 1.00 0.00 C ATOM 1419 C LYS A 83 1.393 -7.653 -5.210 1.00 0.00 C ATOM 1420 O LYS A 83 0.478 -8.442 -5.085 1.00 0.00 O ATOM 1421 CB LYS A 83 1.011 -6.886 -7.595 1.00 0.00 C ATOM 1422 CG LYS A 83 -0.501 -6.939 -7.886 1.00 0.00 C ATOM 1423 CD LYS A 83 -0.736 -7.141 -9.392 1.00 0.00 C ATOM 1424 CE LYS A 83 -0.265 -5.908 -10.194 1.00 0.00 C ATOM 1425 NZ LYS A 83 -1.091 -5.781 -11.428 1.00 0.00 N ATOM 0 H LYS A 83 2.501 -4.809 -5.531 1.00 0.00 H new ATOM 0 HA LYS A 83 0.444 -5.826 -5.809 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.493 -6.192 -8.283 1.00 0.00 H new ATOM 0 HB3 LYS A 83 1.453 -7.867 -7.770 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -0.960 -7.753 -7.325 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -0.977 -6.016 -7.555 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -0.200 -8.027 -9.732 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -1.795 -7.318 -9.578 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -0.356 -5.008 -9.587 1.00 0.00 H new ATOM 0 HE3 LYS A 83 0.788 -6.010 -10.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -0.778 -4.952 -11.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -0.982 -6.637 -12.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -2.091 -5.665 -11.166 1.00 0.00 H new ATOM 1439 N ASN A 84 2.518 -7.784 -4.556 1.00 0.00 N ATOM 1440 CA ASN A 84 2.740 -8.921 -3.612 1.00 0.00 C ATOM 1441 C ASN A 84 3.011 -8.352 -2.221 1.00 0.00 C ATOM 1442 O ASN A 84 2.913 -9.037 -1.222 1.00 0.00 O ATOM 1443 CB ASN A 84 3.952 -9.729 -4.078 1.00 0.00 C ATOM 1444 CG ASN A 84 3.601 -10.484 -5.363 1.00 0.00 C ATOM 1445 OD1 ASN A 84 4.402 -11.243 -5.873 1.00 0.00 O ATOM 1446 ND2 ASN A 84 2.430 -10.306 -5.911 1.00 0.00 N ATOM 0 H ASN A 84 3.305 -7.141 -4.637 1.00 0.00 H new ATOM 0 HA ASN A 84 1.863 -9.567 -3.585 1.00 0.00 H new ATOM 0 HB2 ASN A 84 4.799 -9.065 -4.254 1.00 0.00 H new ATOM 0 HB3 ASN A 84 4.254 -10.432 -3.302 1.00 0.00 H new ATOM 0 HD21 ASN A 84 2.187 -10.804 -6.767 1.00 0.00 H new ATOM 0 HD22 ASN A 84 1.758 -9.669 -5.483 1.00 0.00 H new ATOM 1453 N ARG A 85 3.348 -7.093 -2.160 1.00 0.00 N ATOM 1454 CA ARG A 85 3.632 -6.418 -0.859 1.00 0.00 C ATOM 1455 C ARG A 85 2.449 -5.511 -0.528 1.00 0.00 C ATOM 1456 O ARG A 85 1.576 -5.297 -1.347 1.00 0.00 O ATOM 1457 CB ARG A 85 4.904 -5.571 -1.014 1.00 0.00 C ATOM 1458 CG ARG A 85 6.167 -6.434 -0.861 1.00 0.00 C ATOM 1459 CD ARG A 85 6.081 -7.695 -1.727 1.00 0.00 C ATOM 1460 NE ARG A 85 7.452 -8.263 -1.899 1.00 0.00 N ATOM 1461 CZ ARG A 85 7.608 -9.511 -2.253 1.00 0.00 C ATOM 1462 NH1 ARG A 85 6.565 -10.272 -2.438 1.00 0.00 N ATOM 1463 NH2 ARG A 85 8.807 -9.999 -2.415 1.00 0.00 N ATOM 0 H ARG A 85 3.441 -6.489 -2.977 1.00 0.00 H new ATOM 0 HA ARG A 85 3.776 -7.148 -0.063 1.00 0.00 H new ATOM 0 HB2 ARG A 85 4.906 -5.088 -1.991 1.00 0.00 H new ATOM 0 HB3 ARG A 85 4.909 -4.778 -0.267 1.00 0.00 H new ATOM 0 HG2 ARG A 85 7.045 -5.853 -1.145 1.00 0.00 H new ATOM 0 HG3 ARG A 85 6.295 -6.715 0.184 1.00 0.00 H new ATOM 0 HD2 ARG A 85 5.426 -8.429 -1.258 1.00 0.00 H new ATOM 0 HD3 ARG A 85 5.648 -7.456 -2.698 1.00 0.00 H new ATOM 0 HE ARG A 85 8.269 -7.674 -1.739 1.00 0.00 H new ATOM 0 HH11 ARG A 85 5.627 -9.893 -2.306 1.00 0.00 H new ATOM 0 HH12 ARG A 85 6.687 -11.246 -2.714 1.00 0.00 H new ATOM 0 HH21 ARG A 85 9.623 -9.406 -2.265 1.00 0.00 H new ATOM 0 HH22 ARG A 85 8.928 -10.973 -2.691 1.00 0.00 H new ATOM 1477 N SER A 86 2.418 -4.974 0.666 1.00 0.00 N ATOM 1478 CA SER A 86 1.304 -4.070 1.079 1.00 0.00 C ATOM 1479 C SER A 86 1.897 -2.748 1.529 1.00 0.00 C ATOM 1480 O SER A 86 2.999 -2.678 2.032 1.00 0.00 O ATOM 1481 CB SER A 86 0.529 -4.692 2.244 1.00 0.00 C ATOM 1482 OG SER A 86 -0.060 -3.661 3.028 1.00 0.00 O ATOM 0 H SER A 86 3.129 -5.127 1.382 1.00 0.00 H new ATOM 0 HA SER A 86 0.626 -3.919 0.239 1.00 0.00 H new ATOM 0 HB2 SER A 86 -0.243 -5.361 1.865 1.00 0.00 H new ATOM 0 HB3 SER A 86 1.198 -5.294 2.859 1.00 0.00 H new ATOM 0 HG SER A 86 -0.603 -3.082 2.453 1.00 0.00 H new ATOM 1488 N ASP A 87 1.163 -1.703 1.357 1.00 0.00 N ATOM 1489 CA ASP A 87 1.659 -0.367 1.767 1.00 0.00 C ATOM 1490 C ASP A 87 2.012 -0.415 3.250 1.00 0.00 C ATOM 1491 O ASP A 87 2.841 0.330 3.731 1.00 0.00 O ATOM 1492 CB ASP A 87 0.577 0.685 1.512 1.00 0.00 C ATOM 1493 CG ASP A 87 -0.773 0.162 2.007 1.00 0.00 C ATOM 1494 OD1 ASP A 87 -0.888 -0.090 3.196 1.00 0.00 O ATOM 1495 OD2 ASP A 87 -1.667 0.021 1.190 1.00 0.00 O ATOM 0 H ASP A 87 0.230 -1.710 0.946 1.00 0.00 H new ATOM 0 HA ASP A 87 2.544 -0.099 1.189 1.00 0.00 H new ATOM 0 HB2 ASP A 87 0.829 1.613 2.025 1.00 0.00 H new ATOM 0 HB3 ASP A 87 0.522 0.914 0.448 1.00 0.00 H new ATOM 1500 N ASN A 88 1.396 -1.308 3.968 1.00 0.00 N ATOM 1501 CA ASN A 88 1.696 -1.442 5.416 1.00 0.00 C ATOM 1502 C ASN A 88 3.019 -2.189 5.569 1.00 0.00 C ATOM 1503 O ASN A 88 3.743 -2.001 6.525 1.00 0.00 O ATOM 1504 CB ASN A 88 0.578 -2.235 6.095 1.00 0.00 C ATOM 1505 CG ASN A 88 0.757 -2.172 7.613 1.00 0.00 C ATOM 1506 OD1 ASN A 88 0.557 -1.138 8.218 1.00 0.00 O ATOM 1507 ND2 ASN A 88 1.128 -3.244 8.258 1.00 0.00 N ATOM 0 H ASN A 88 0.693 -1.955 3.611 1.00 0.00 H new ATOM 0 HA ASN A 88 1.767 -0.458 5.879 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -0.393 -1.827 5.815 1.00 0.00 H new ATOM 0 HB3 ASN A 88 0.597 -3.272 5.759 1.00 0.00 H new ATOM 0 HD21 ASN A 88 1.250 -3.214 9.270 1.00 0.00 H new ATOM 0 HD22 ASN A 88 1.296 -4.112 7.750 1.00 0.00 H new ATOM 1514 N ASN A 89 3.343 -3.036 4.623 1.00 0.00 N ATOM 1515 CA ASN A 89 4.616 -3.793 4.699 1.00 0.00 C ATOM 1516 C ASN A 89 5.739 -2.917 4.150 1.00 0.00 C ATOM 1517 O ASN A 89 6.797 -2.796 4.725 1.00 0.00 O ATOM 1518 CB ASN A 89 4.480 -5.055 3.840 1.00 0.00 C ATOM 1519 CG ASN A 89 5.625 -6.017 4.153 1.00 0.00 C ATOM 1520 OD1 ASN A 89 6.421 -5.766 5.035 1.00 0.00 O ATOM 1521 ND2 ASN A 89 5.741 -7.118 3.464 1.00 0.00 N ATOM 0 H ASN A 89 2.773 -3.232 3.800 1.00 0.00 H new ATOM 0 HA ASN A 89 4.840 -4.070 5.729 1.00 0.00 H new ATOM 0 HB2 ASN A 89 3.523 -5.538 4.035 1.00 0.00 H new ATOM 0 HB3 ASN A 89 4.493 -4.790 2.783 1.00 0.00 H new ATOM 0 HD21 ASN A 89 6.500 -7.768 3.666 1.00 0.00 H new ATOM 0 HD22 ASN A 89 5.072 -7.329 2.723 1.00 0.00 H new ATOM 1528 N ILE A 90 5.505 -2.305 3.032 1.00 0.00 N ATOM 1529 CA ILE A 90 6.545 -1.436 2.422 1.00 0.00 C ATOM 1530 C ILE A 90 6.920 -0.329 3.401 1.00 0.00 C ATOM 1531 O ILE A 90 8.067 -0.172 3.769 1.00 0.00 O ATOM 1532 CB ILE A 90 5.983 -0.843 1.133 1.00 0.00 C ATOM 1533 CG1 ILE A 90 5.599 -1.997 0.204 1.00 0.00 C ATOM 1534 CG2 ILE A 90 7.037 0.031 0.449 1.00 0.00 C ATOM 1535 CD1 ILE A 90 4.878 -1.478 -1.044 1.00 0.00 C ATOM 0 H ILE A 90 4.632 -2.368 2.508 1.00 0.00 H new ATOM 0 HA ILE A 90 7.441 -2.014 2.195 1.00 0.00 H new ATOM 0 HB ILE A 90 5.113 -0.226 1.359 1.00 0.00 H new ATOM 0 HG12 ILE A 90 6.494 -2.546 -0.090 1.00 0.00 H new ATOM 0 HG13 ILE A 90 4.955 -2.698 0.735 1.00 0.00 H new ATOM 0 HG21 ILE A 90 6.624 0.448 -0.469 1.00 0.00 H new ATOM 0 HG22 ILE A 90 7.327 0.842 1.117 1.00 0.00 H new ATOM 0 HG23 ILE A 90 7.912 -0.574 0.211 1.00 0.00 H new ATOM 0 HD11 ILE A 90 4.616 -2.317 -1.688 1.00 0.00 H new ATOM 0 HD12 ILE A 90 3.971 -0.951 -0.748 1.00 0.00 H new ATOM 0 HD13 ILE A 90 5.533 -0.796 -1.586 1.00 0.00 H new ATOM 1547 N ARG A 91 5.960 0.431 3.841 1.00 0.00 N ATOM 1548 CA ARG A 91 6.255 1.518 4.814 1.00 0.00 C ATOM 1549 C ARG A 91 6.981 0.916 6.014 1.00 0.00 C ATOM 1550 O ARG A 91 7.815 1.541 6.640 1.00 0.00 O ATOM 1551 CB ARG A 91 4.938 2.139 5.283 1.00 0.00 C ATOM 1552 CG ARG A 91 5.216 3.417 6.087 1.00 0.00 C ATOM 1553 CD ARG A 91 3.956 3.825 6.854 1.00 0.00 C ATOM 1554 NE ARG A 91 4.133 5.195 7.411 1.00 0.00 N ATOM 1555 CZ ARG A 91 4.082 6.235 6.623 1.00 0.00 C ATOM 1556 NH1 ARG A 91 3.875 6.074 5.344 1.00 0.00 N ATOM 1557 NH2 ARG A 91 4.237 7.434 7.113 1.00 0.00 N ATOM 0 H ARG A 91 4.981 0.347 3.569 1.00 0.00 H new ATOM 0 HA ARG A 91 6.876 2.283 4.347 1.00 0.00 H new ATOM 0 HB2 ARG A 91 4.309 2.370 4.423 1.00 0.00 H new ATOM 0 HB3 ARG A 91 4.389 1.426 5.897 1.00 0.00 H new ATOM 0 HG2 ARG A 91 6.039 3.250 6.782 1.00 0.00 H new ATOM 0 HG3 ARG A 91 5.523 4.221 5.417 1.00 0.00 H new ATOM 0 HD2 ARG A 91 3.091 3.800 6.192 1.00 0.00 H new ATOM 0 HD3 ARG A 91 3.762 3.116 7.659 1.00 0.00 H new ATOM 0 HE ARG A 91 4.294 5.321 8.410 1.00 0.00 H new ATOM 0 HH11 ARG A 91 3.753 5.136 4.961 1.00 0.00 H new ATOM 0 HH12 ARG A 91 3.835 6.886 4.728 1.00 0.00 H new ATOM 0 HH21 ARG A 91 4.398 7.560 8.112 1.00 0.00 H new ATOM 0 HH22 ARG A 91 4.197 8.246 6.497 1.00 0.00 H new ATOM 1571 N ASN A 92 6.650 -0.300 6.340 1.00 0.00 N ATOM 1572 CA ASN A 92 7.293 -0.970 7.506 1.00 0.00 C ATOM 1573 C ASN A 92 8.730 -1.368 7.162 1.00 0.00 C ATOM 1574 O ASN A 92 9.630 -1.191 7.960 1.00 0.00 O ATOM 1575 CB ASN A 92 6.496 -2.219 7.891 1.00 0.00 C ATOM 1576 CG ASN A 92 7.152 -2.888 9.100 1.00 0.00 C ATOM 1577 OD1 ASN A 92 7.975 -2.293 9.765 1.00 0.00 O ATOM 1578 ND2 ASN A 92 6.819 -4.111 9.414 1.00 0.00 N ATOM 0 H ASN A 92 5.958 -0.864 5.847 1.00 0.00 H new ATOM 0 HA ASN A 92 7.307 -0.274 8.345 1.00 0.00 H new ATOM 0 HB2 ASN A 92 5.466 -1.949 8.125 1.00 0.00 H new ATOM 0 HB3 ASN A 92 6.460 -2.914 7.052 1.00 0.00 H new ATOM 0 HD21 ASN A 92 7.250 -4.567 10.218 1.00 0.00 H new ATOM 0 HD22 ASN A 92 6.127 -4.611 8.855 1.00 0.00 H new ATOM 1585 N ARG A 93 8.970 -1.902 5.992 1.00 0.00 N ATOM 1586 CA ARG A 93 10.371 -2.292 5.652 1.00 0.00 C ATOM 1587 C ARG A 93 11.203 -1.013 5.501 1.00 0.00 C ATOM 1588 O ARG A 93 12.221 -0.845 6.142 1.00 0.00 O ATOM 1589 CB ARG A 93 10.396 -3.111 4.340 1.00 0.00 C ATOM 1590 CG ARG A 93 10.332 -4.627 4.628 1.00 0.00 C ATOM 1591 CD ARG A 93 9.200 -4.960 5.624 1.00 0.00 C ATOM 1592 NE ARG A 93 9.754 -5.008 7.006 1.00 0.00 N ATOM 1593 CZ ARG A 93 9.035 -5.493 7.982 1.00 0.00 C ATOM 1594 NH1 ARG A 93 7.830 -5.939 7.748 1.00 0.00 N ATOM 1595 NH2 ARG A 93 9.522 -5.534 9.193 1.00 0.00 N ATOM 0 H ARG A 93 8.272 -2.082 5.270 1.00 0.00 H new ATOM 0 HA ARG A 93 10.788 -2.915 6.443 1.00 0.00 H new ATOM 0 HB2 ARG A 93 9.554 -2.822 3.711 1.00 0.00 H new ATOM 0 HB3 ARG A 93 11.304 -2.882 3.782 1.00 0.00 H new ATOM 0 HG2 ARG A 93 10.172 -5.170 3.697 1.00 0.00 H new ATOM 0 HG3 ARG A 93 11.287 -4.963 5.033 1.00 0.00 H new ATOM 0 HD2 ARG A 93 8.413 -4.208 5.562 1.00 0.00 H new ATOM 0 HD3 ARG A 93 8.746 -5.918 5.369 1.00 0.00 H new ATOM 0 HE ARG A 93 10.696 -4.662 7.190 1.00 0.00 H new ATOM 0 HH11 ARG A 93 7.450 -5.909 6.802 1.00 0.00 H new ATOM 0 HH12 ARG A 93 7.269 -6.318 8.511 1.00 0.00 H new ATOM 0 HH21 ARG A 93 10.464 -5.187 9.376 1.00 0.00 H new ATOM 0 HH22 ARG A 93 8.961 -5.913 9.956 1.00 0.00 H new ATOM 1609 N TRP A 94 10.773 -0.100 4.671 1.00 0.00 N ATOM 1610 CA TRP A 94 11.533 1.167 4.489 1.00 0.00 C ATOM 1611 C TRP A 94 11.831 1.772 5.859 1.00 0.00 C ATOM 1612 O TRP A 94 12.875 2.344 6.082 1.00 0.00 O ATOM 1613 CB TRP A 94 10.699 2.151 3.666 1.00 0.00 C ATOM 1614 CG TRP A 94 11.467 3.420 3.480 1.00 0.00 C ATOM 1615 CD1 TRP A 94 11.206 4.587 4.113 1.00 0.00 C ATOM 1616 CD2 TRP A 94 12.612 3.672 2.615 1.00 0.00 C ATOM 1617 NE1 TRP A 94 12.118 5.539 3.692 1.00 0.00 N ATOM 1618 CE2 TRP A 94 13.005 5.023 2.769 1.00 0.00 C ATOM 1619 CE3 TRP A 94 13.341 2.867 1.720 1.00 0.00 C ATOM 1620 CZ2 TRP A 94 14.083 5.556 2.061 1.00 0.00 C ATOM 1621 CZ3 TRP A 94 14.426 3.401 1.006 1.00 0.00 C ATOM 1622 CH2 TRP A 94 14.796 4.743 1.176 1.00 0.00 C ATOM 0 H TRP A 94 9.925 -0.179 4.110 1.00 0.00 H new ATOM 0 HA TRP A 94 12.467 0.963 3.966 1.00 0.00 H new ATOM 0 HB2 TRP A 94 10.455 1.716 2.697 1.00 0.00 H new ATOM 0 HB3 TRP A 94 9.755 2.355 4.171 1.00 0.00 H new ATOM 0 HD1 TRP A 94 10.415 4.749 4.830 1.00 0.00 H new ATOM 0 HE1 TRP A 94 12.133 6.504 4.023 1.00 0.00 H new ATOM 0 HE3 TRP A 94 13.064 1.832 1.581 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 14.364 6.590 2.196 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 14.979 2.774 0.322 1.00 0.00 H new ATOM 0 HH2 TRP A 94 15.631 5.148 0.624 1.00 0.00 H new ATOM 1633 N MET A 95 10.922 1.635 6.784 1.00 0.00 N ATOM 1634 CA MET A 95 11.157 2.190 8.144 1.00 0.00 C ATOM 1635 C MET A 95 12.287 1.405 8.814 1.00 0.00 C ATOM 1636 O MET A 95 12.994 1.915 9.658 1.00 0.00 O ATOM 1637 CB MET A 95 9.880 2.056 8.977 1.00 0.00 C ATOM 1638 CG MET A 95 10.070 2.762 10.321 1.00 0.00 C ATOM 1639 SD MET A 95 8.514 2.724 11.248 1.00 0.00 S ATOM 1640 CE MET A 95 8.777 1.140 12.084 1.00 0.00 C ATOM 0 H MET A 95 10.027 1.163 6.656 1.00 0.00 H new ATOM 0 HA MET A 95 11.431 3.242 8.071 1.00 0.00 H new ATOM 0 HB2 MET A 95 9.037 2.492 8.441 1.00 0.00 H new ATOM 0 HB3 MET A 95 9.646 1.003 9.137 1.00 0.00 H new ATOM 0 HG2 MET A 95 10.858 2.273 10.893 1.00 0.00 H new ATOM 0 HG3 MET A 95 10.385 3.793 10.161 1.00 0.00 H new ATOM 0 HE1 MET A 95 7.920 0.918 12.720 1.00 0.00 H new ATOM 0 HE2 MET A 95 8.892 0.351 11.341 1.00 0.00 H new ATOM 0 HE3 MET A 95 9.678 1.196 12.695 1.00 0.00 H new ATOM 1650 N MET A 96 12.466 0.165 8.435 1.00 0.00 N ATOM 1651 CA MET A 96 13.550 -0.661 9.035 1.00 0.00 C ATOM 1652 C MET A 96 14.871 -0.329 8.346 1.00 0.00 C ATOM 1653 O MET A 96 15.899 -0.193 8.978 1.00 0.00 O ATOM 1654 CB MET A 96 13.223 -2.145 8.836 1.00 0.00 C ATOM 1655 CG MET A 96 14.176 -3.001 9.674 1.00 0.00 C ATOM 1656 SD MET A 96 13.767 -2.820 11.429 1.00 0.00 S ATOM 1657 CE MET A 96 14.516 -4.366 11.996 1.00 0.00 C ATOM 0 H MET A 96 11.902 -0.311 7.731 1.00 0.00 H new ATOM 0 HA MET A 96 13.632 -0.449 10.101 1.00 0.00 H new ATOM 0 HB2 MET A 96 12.191 -2.342 9.127 1.00 0.00 H new ATOM 0 HB3 MET A 96 13.313 -2.409 7.782 1.00 0.00 H new ATOM 0 HG2 MET A 96 14.098 -4.047 9.378 1.00 0.00 H new ATOM 0 HG3 MET A 96 15.207 -2.696 9.497 1.00 0.00 H new ATOM 0 HE1 MET A 96 14.879 -4.242 13.016 1.00 0.00 H new ATOM 0 HE2 MET A 96 13.772 -5.162 11.970 1.00 0.00 H new ATOM 0 HE3 MET A 96 15.350 -4.627 11.344 1.00 0.00 H new ATOM 1667 N ILE A 97 14.849 -0.200 7.045 1.00 0.00 N ATOM 1668 CA ILE A 97 16.099 0.119 6.300 1.00 0.00 C ATOM 1669 C ILE A 97 16.364 1.622 6.410 1.00 0.00 C ATOM 1670 O ILE A 97 17.495 2.068 6.391 1.00 0.00 O ATOM 1671 CB ILE A 97 15.929 -0.291 4.822 1.00 0.00 C ATOM 1672 CG1 ILE A 97 16.087 -1.813 4.687 1.00 0.00 C ATOM 1673 CG2 ILE A 97 16.988 0.396 3.941 1.00 0.00 C ATOM 1674 CD1 ILE A 97 15.121 -2.539 5.627 1.00 0.00 C ATOM 0 H ILE A 97 14.015 -0.303 6.466 1.00 0.00 H new ATOM 0 HA ILE A 97 16.943 -0.428 6.720 1.00 0.00 H new ATOM 0 HB ILE A 97 14.936 0.016 4.494 1.00 0.00 H new ATOM 0 HG12 ILE A 97 15.896 -2.114 3.657 1.00 0.00 H new ATOM 0 HG13 ILE A 97 17.113 -2.100 4.918 1.00 0.00 H new ATOM 0 HG21 ILE A 97 16.850 0.093 2.903 1.00 0.00 H new ATOM 0 HG22 ILE A 97 16.881 1.478 4.021 1.00 0.00 H new ATOM 0 HG23 ILE A 97 17.984 0.104 4.275 1.00 0.00 H new ATOM 0 HD11 ILE A 97 15.247 -3.616 5.517 1.00 0.00 H new ATOM 0 HD12 ILE A 97 15.331 -2.252 6.657 1.00 0.00 H new ATOM 0 HD13 ILE A 97 14.096 -2.267 5.376 1.00 0.00 H new ATOM 1686 N ALA A 98 15.332 2.402 6.533 1.00 0.00 N ATOM 1687 CA ALA A 98 15.526 3.871 6.651 1.00 0.00 C ATOM 1688 C ALA A 98 16.404 4.142 7.864 1.00 0.00 C ATOM 1689 O ALA A 98 16.948 5.216 8.029 1.00 0.00 O ATOM 1690 CB ALA A 98 14.174 4.572 6.826 1.00 0.00 C ATOM 0 H ALA A 98 14.362 2.087 6.557 1.00 0.00 H new ATOM 0 HA ALA A 98 15.999 4.254 5.747 1.00 0.00 H new ATOM 0 HB1 ALA A 98 14.330 5.647 6.911 1.00 0.00 H new ATOM 0 HB2 ALA A 98 13.542 4.364 5.963 1.00 0.00 H new ATOM 0 HB3 ALA A 98 13.687 4.203 7.729 1.00 0.00 H new ATOM 1696 N ARG A 99 16.545 3.169 8.721 1.00 0.00 N ATOM 1697 CA ARG A 99 17.383 3.361 9.923 1.00 0.00 C ATOM 1698 C ARG A 99 18.842 3.437 9.489 1.00 0.00 C ATOM 1699 O ARG A 99 19.690 3.947 10.195 1.00 0.00 O ATOM 1700 CB ARG A 99 17.191 2.183 10.887 1.00 0.00 C ATOM 1701 CG ARG A 99 15.821 2.283 11.558 1.00 0.00 C ATOM 1702 CD ARG A 99 15.652 1.129 12.549 1.00 0.00 C ATOM 1703 NE ARG A 99 15.984 -0.157 11.874 1.00 0.00 N ATOM 1704 CZ ARG A 99 16.174 -1.238 12.582 1.00 0.00 C ATOM 1705 NH1 ARG A 99 16.074 -1.192 13.883 1.00 0.00 N ATOM 1706 NH2 ARG A 99 16.466 -2.363 11.989 1.00 0.00 N ATOM 0 H ARG A 99 16.112 2.249 8.635 1.00 0.00 H new ATOM 0 HA ARG A 99 17.095 4.281 10.433 1.00 0.00 H new ATOM 0 HB2 ARG A 99 17.273 1.241 10.346 1.00 0.00 H new ATOM 0 HB3 ARG A 99 17.977 2.187 11.642 1.00 0.00 H new ATOM 0 HG2 ARG A 99 15.727 3.238 12.076 1.00 0.00 H new ATOM 0 HG3 ARG A 99 15.033 2.249 10.806 1.00 0.00 H new ATOM 0 HD2 ARG A 99 16.302 1.278 13.411 1.00 0.00 H new ATOM 0 HD3 ARG A 99 14.628 1.103 12.922 1.00 0.00 H new ATOM 0 HE ARG A 99 16.063 -0.193 10.858 1.00 0.00 H new ATOM 0 HH11 ARG A 99 15.848 -0.312 14.346 1.00 0.00 H new ATOM 0 HH12 ARG A 99 16.222 -2.036 14.436 1.00 0.00 H new ATOM 0 HH21 ARG A 99 16.546 -2.398 10.973 1.00 0.00 H new ATOM 0 HH22 ARG A 99 16.614 -3.207 12.542 1.00 0.00 H new