USER MOD reduce.3.24.130724 H: found=0, std=0, add=697, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 698 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 38 TYR OH : rot -7:sc= -0.113 USER MOD Set 1.2: A 55 HIS : no HE2:sc= -0.115 K(o=-0.23,f=-1) USER MOD Set 2.1: A 53 THR OG1 : rot -29:sc= 0.346 USER MOD Set 2.2: A 62 HIS :FLIP no HD1:sc= 0.161 F(o=-1.6,f=0.51) USER MOD Set 3.1: A 26 LYS NZ :NH3+ -97:sc= 1.29 (180deg=0.00578) USER MOD Set 3.2: A 30 TYR OH : rot 91:sc= -0.0792 USER MOD Single : A 4 ASN : amide:sc= -0.333 X(o=-0.33,f=-0.15) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -8.83! C(o=-8.8!,f=-20!) USER MOD Single : A 9 ASN : amide:sc=-0.00218 K(o=-0.0022,f=-1.4) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0464 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.00864 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 35 ASN : amide:sc= -1.03 K(o=-1,f=-5.4!) USER MOD Single : A 36 GLN : amide:sc= -0.303 X(o=-0.3,f=-0.059) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot -40:sc= -1.17 USER MOD Single : A 48 HIS : no HD1:sc= -4.13! C(o=-4.1!,f=-4.4!) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.661 USER MOD Single : A 50 SER OG : rot 50:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.43 K(o=-0.43,f=-4.2!) USER MOD Single : A 64 SER OG : rot 21:sc= 0.277 USER MOD Single : A 68 GLN : amide:sc= -0.0105 K(o=-0.011,f=-0.69) USER MOD Single : A 70 MET CE :methyl 175:sc= -5.53! (180deg=-5.7!) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -0.259 X(o=-0.26,f=-0.036) USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.536 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 HIS :FLIP no HE2:sc= -3.41 F(o=-5.1!,f=-3.4) USER MOD Single : A 89 LYS NZ :NH3+ 165:sc= 0.174 (180deg=-0.376) USER MOD ----------------------------------------------------------------- ATOM 37 N LEU A 3 -0.140 -10.590 -5.034 1.00 0.00 N ATOM 38 CA LEU A 3 -0.952 -9.647 -4.273 1.00 0.00 C ATOM 39 C LEU A 3 -2.328 -9.480 -4.911 1.00 0.00 C ATOM 40 O LEU A 3 -2.475 -9.598 -6.127 1.00 0.00 O ATOM 41 CB LEU A 3 -0.247 -8.292 -4.172 1.00 0.00 C ATOM 42 CG LEU A 3 -0.171 -7.495 -5.475 1.00 0.00 C ATOM 43 CD1 LEU A 3 -0.163 -6.002 -5.185 1.00 0.00 C ATOM 44 CD2 LEU A 3 1.062 -7.891 -6.272 1.00 0.00 C ATOM 0 HA LEU A 3 -1.085 -10.047 -3.268 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -0.763 -7.688 -3.426 1.00 0.00 H new ATOM 0 HB3 LEU A 3 0.767 -8.455 -3.806 1.00 0.00 H new ATOM 0 HG LEU A 3 -1.053 -7.725 -6.072 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -0.109 -5.449 -6.123 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -1.076 -5.729 -4.656 1.00 0.00 H new ATOM 0 HD13 LEU A 3 0.701 -5.756 -4.568 1.00 0.00 H new ATOM 0 HD21 LEU A 3 1.099 -7.314 -7.196 1.00 0.00 H new ATOM 0 HD22 LEU A 3 1.956 -7.690 -5.682 1.00 0.00 H new ATOM 0 HD23 LEU A 3 1.016 -8.954 -6.510 1.00 0.00 H new ATOM 56 N ASN A 4 -3.333 -9.212 -4.085 1.00 0.00 N ATOM 57 CA ASN A 4 -4.695 -9.035 -4.578 1.00 0.00 C ATOM 58 C ASN A 4 -5.420 -7.933 -3.812 1.00 0.00 C ATOM 59 O ASN A 4 -5.037 -7.579 -2.699 1.00 0.00 O ATOM 60 CB ASN A 4 -5.472 -10.348 -4.462 1.00 0.00 C ATOM 61 CG ASN A 4 -6.703 -10.369 -5.347 1.00 0.00 C ATOM 62 OD1 ASN A 4 -7.817 -10.596 -4.876 1.00 0.00 O ATOM 63 ND2 ASN A 4 -6.507 -10.135 -6.639 1.00 0.00 N ATOM 0 H ASN A 4 -3.232 -9.113 -3.075 1.00 0.00 H new ATOM 0 HA ASN A 4 -4.638 -8.741 -5.626 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -4.820 -11.179 -4.731 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -5.770 -10.500 -3.425 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -7.297 -10.139 -7.284 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -5.566 -9.951 -6.987 1.00 0.00 H new ATOM 70 N ILE A 5 -6.472 -7.399 -4.422 1.00 0.00 N ATOM 71 CA ILE A 5 -7.263 -6.338 -3.808 1.00 0.00 C ATOM 72 C ILE A 5 -8.751 -6.658 -3.889 1.00 0.00 C ATOM 73 O ILE A 5 -9.191 -7.381 -4.783 1.00 0.00 O ATOM 74 CB ILE A 5 -7.009 -4.968 -4.477 1.00 0.00 C ATOM 75 CG1 ILE A 5 -6.589 -5.145 -5.938 1.00 0.00 C ATOM 76 CG2 ILE A 5 -5.955 -4.189 -3.706 1.00 0.00 C ATOM 77 CD1 ILE A 5 -6.590 -3.854 -6.728 1.00 0.00 C ATOM 0 H ILE A 5 -6.798 -7.685 -5.345 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.953 -6.280 -2.765 1.00 0.00 H new ATOM 0 HB ILE A 5 -7.940 -4.401 -4.460 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -5.590 -5.580 -5.970 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -7.262 -5.856 -6.418 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -5.787 -3.227 -4.190 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -6.298 -4.027 -2.684 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -5.023 -4.754 -3.691 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -6.282 -4.055 -7.754 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -7.593 -3.428 -6.727 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -5.895 -3.148 -6.273 1.00 0.00 H new ATOM 89 N THR A 6 -9.526 -6.109 -2.959 1.00 0.00 N ATOM 90 CA THR A 6 -10.966 -6.331 -2.936 1.00 0.00 C ATOM 91 C THR A 6 -11.698 -5.016 -2.700 1.00 0.00 C ATOM 92 O THR A 6 -11.511 -4.367 -1.672 1.00 0.00 O ATOM 93 CB THR A 6 -11.331 -7.339 -1.845 1.00 0.00 C ATOM 94 OG1 THR A 6 -10.327 -8.329 -1.719 1.00 0.00 O ATOM 95 CG2 THR A 6 -12.645 -8.048 -2.103 1.00 0.00 C ATOM 0 H THR A 6 -9.180 -5.507 -2.212 1.00 0.00 H new ATOM 0 HA THR A 6 -11.271 -6.735 -3.901 1.00 0.00 H new ATOM 0 HB THR A 6 -11.424 -6.754 -0.930 1.00 0.00 H new ATOM 0 HG1 THR A 6 -10.579 -8.963 -1.015 1.00 0.00 H new ATOM 0 HG21 THR A 6 -12.845 -8.749 -1.293 1.00 0.00 H new ATOM 0 HG22 THR A 6 -13.450 -7.315 -2.156 1.00 0.00 H new ATOM 0 HG23 THR A 6 -12.586 -8.591 -3.046 1.00 0.00 H new ATOM 103 N GLY A 7 -12.526 -4.623 -3.661 1.00 0.00 N ATOM 104 CA GLY A 7 -13.263 -3.381 -3.538 1.00 0.00 C ATOM 105 C GLY A 7 -14.710 -3.594 -3.138 1.00 0.00 C ATOM 106 O GLY A 7 -15.452 -4.304 -3.817 1.00 0.00 O ATOM 0 H GLY A 7 -12.699 -5.142 -4.522 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.776 -2.746 -2.798 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.228 -2.847 -4.488 1.00 0.00 H new ATOM 110 N ASN A 8 -15.112 -2.972 -2.036 1.00 0.00 N ATOM 111 CA ASN A 8 -16.478 -3.087 -1.543 1.00 0.00 C ATOM 112 C ASN A 8 -17.292 -1.853 -1.923 1.00 0.00 C ATOM 113 O ASN A 8 -17.062 -0.763 -1.402 1.00 0.00 O ATOM 114 CB ASN A 8 -16.481 -3.267 -0.024 1.00 0.00 C ATOM 115 CG ASN A 8 -15.772 -2.142 0.690 1.00 0.00 C ATOM 116 OD1 ASN A 8 -16.374 -1.109 0.979 1.00 0.00 O ATOM 117 ND2 ASN A 8 -14.490 -2.338 0.980 1.00 0.00 N ATOM 0 H ASN A 8 -14.508 -2.381 -1.465 1.00 0.00 H new ATOM 0 HA ASN A 8 -16.936 -3.962 -2.004 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -17.510 -3.327 0.330 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -16.002 -4.213 0.228 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -13.960 -1.613 1.464 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -14.036 -3.213 0.719 1.00 0.00 H new ATOM 124 N ASN A 9 -18.241 -2.032 -2.837 1.00 0.00 N ATOM 125 CA ASN A 9 -19.084 -0.930 -3.290 1.00 0.00 C ATOM 126 C ASN A 9 -18.255 0.112 -4.034 1.00 0.00 C ATOM 127 O ASN A 9 -18.474 1.315 -3.889 1.00 0.00 O ATOM 128 CB ASN A 9 -19.796 -0.281 -2.101 1.00 0.00 C ATOM 129 CG ASN A 9 -21.083 0.413 -2.506 1.00 0.00 C ATOM 130 OD1 ASN A 9 -21.296 0.712 -3.681 1.00 0.00 O ATOM 131 ND2 ASN A 9 -21.948 0.671 -1.532 1.00 0.00 N ATOM 0 H ASN A 9 -18.446 -2.929 -3.278 1.00 0.00 H new ATOM 0 HA ASN A 9 -19.832 -1.332 -3.974 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -20.017 -1.043 -1.353 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -19.129 0.442 -1.632 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -22.831 1.135 -1.744 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -21.729 0.405 -0.572 1.00 0.00 H new ATOM 138 N VAL A 10 -17.304 -0.358 -4.833 1.00 0.00 N ATOM 139 CA VAL A 10 -16.443 0.528 -5.605 1.00 0.00 C ATOM 140 C VAL A 10 -15.973 -0.146 -6.891 1.00 0.00 C ATOM 141 O VAL A 10 -15.548 -1.301 -6.876 1.00 0.00 O ATOM 142 CB VAL A 10 -15.218 0.974 -4.786 1.00 0.00 C ATOM 143 CG1 VAL A 10 -14.381 -0.227 -4.390 1.00 0.00 C ATOM 144 CG2 VAL A 10 -14.386 1.982 -5.568 1.00 0.00 C ATOM 0 H VAL A 10 -17.110 -1.351 -4.963 1.00 0.00 H new ATOM 0 HA VAL A 10 -17.036 1.407 -5.858 1.00 0.00 H new ATOM 0 HB VAL A 10 -15.569 1.461 -3.876 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -13.519 0.105 -3.812 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -14.983 -0.907 -3.787 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -14.039 -0.744 -5.287 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -13.525 2.284 -4.971 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -14.042 1.527 -6.497 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -14.995 2.857 -5.796 1.00 0.00 H new ATOM 154 N GLU A 11 -16.053 0.582 -7.999 1.00 0.00 N ATOM 155 CA GLU A 11 -15.637 0.050 -9.291 1.00 0.00 C ATOM 156 C GLU A 11 -14.116 -0.019 -9.387 1.00 0.00 C ATOM 157 O GLU A 11 -13.436 1.008 -9.378 1.00 0.00 O ATOM 158 CB GLU A 11 -16.195 0.915 -10.424 1.00 0.00 C ATOM 159 CG GLU A 11 -16.700 0.110 -11.612 1.00 0.00 C ATOM 160 CD GLU A 11 -15.591 -0.265 -12.575 1.00 0.00 C ATOM 161 OE1 GLU A 11 -15.104 0.632 -13.297 1.00 0.00 O ATOM 162 OE2 GLU A 11 -15.211 -1.453 -12.610 1.00 0.00 O ATOM 0 H GLU A 11 -16.401 1.540 -8.029 1.00 0.00 H new ATOM 0 HA GLU A 11 -16.034 -0.961 -9.386 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -17.011 1.525 -10.036 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -15.418 1.600 -10.764 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -17.186 -0.797 -11.252 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -17.457 0.688 -12.142 1.00 0.00 H new ATOM 169 N ILE A 12 -13.588 -1.236 -9.481 1.00 0.00 N ATOM 170 CA ILE A 12 -12.148 -1.439 -9.580 1.00 0.00 C ATOM 171 C ILE A 12 -11.643 -1.107 -10.980 1.00 0.00 C ATOM 172 O ILE A 12 -11.665 -1.951 -11.876 1.00 0.00 O ATOM 173 CB ILE A 12 -11.761 -2.891 -9.234 1.00 0.00 C ATOM 174 CG1 ILE A 12 -12.290 -3.268 -7.848 1.00 0.00 C ATOM 175 CG2 ILE A 12 -10.250 -3.073 -9.299 1.00 0.00 C ATOM 176 CD1 ILE A 12 -11.605 -2.530 -6.717 1.00 0.00 C ATOM 0 H ILE A 12 -14.137 -2.096 -9.491 1.00 0.00 H new ATOM 0 HA ILE A 12 -11.681 -0.767 -8.860 1.00 0.00 H new ATOM 0 HB ILE A 12 -12.216 -3.554 -9.969 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -13.360 -3.064 -7.809 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -12.165 -4.341 -7.700 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -9.997 -4.104 -9.052 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -9.899 -2.844 -10.305 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -9.772 -2.401 -8.587 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -12.031 -2.847 -5.765 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -10.538 -2.754 -6.730 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -11.752 -1.457 -6.841 1.00 0.00 H new ATOM 188 N THR A 13 -11.186 0.128 -11.162 1.00 0.00 N ATOM 189 CA THR A 13 -10.672 0.572 -12.452 1.00 0.00 C ATOM 190 C THR A 13 -9.164 0.364 -12.531 1.00 0.00 C ATOM 191 O THR A 13 -8.441 0.633 -11.571 1.00 0.00 O ATOM 192 CB THR A 13 -11.011 2.045 -12.681 1.00 0.00 C ATOM 193 OG1 THR A 13 -10.911 2.775 -11.472 1.00 0.00 O ATOM 194 CG2 THR A 13 -12.402 2.260 -13.235 1.00 0.00 C ATOM 0 H THR A 13 -11.161 0.839 -10.431 1.00 0.00 H new ATOM 0 HA THR A 13 -11.146 -0.024 -13.232 1.00 0.00 H new ATOM 0 HB THR A 13 -10.288 2.398 -13.416 1.00 0.00 H new ATOM 0 HG1 THR A 13 -11.130 3.716 -11.639 1.00 0.00 H new ATOM 0 HG21 THR A 13 -12.578 3.327 -13.374 1.00 0.00 H new ATOM 0 HG22 THR A 13 -12.495 1.749 -14.194 1.00 0.00 H new ATOM 0 HG23 THR A 13 -13.137 1.859 -12.538 1.00 0.00 H new ATOM 202 N GLU A 14 -8.697 -0.124 -13.679 1.00 0.00 N ATOM 203 CA GLU A 14 -7.273 -0.383 -13.897 1.00 0.00 C ATOM 204 C GLU A 14 -6.394 0.709 -13.289 1.00 0.00 C ATOM 205 O GLU A 14 -5.283 0.441 -12.836 1.00 0.00 O ATOM 206 CB GLU A 14 -6.984 -0.508 -15.394 1.00 0.00 C ATOM 207 CG GLU A 14 -5.995 -1.611 -15.733 1.00 0.00 C ATOM 208 CD GLU A 14 -4.639 -1.074 -16.143 1.00 0.00 C ATOM 209 OE1 GLU A 14 -4.478 -0.711 -17.327 1.00 0.00 O ATOM 210 OE2 GLU A 14 -3.737 -1.016 -15.281 1.00 0.00 O ATOM 0 H GLU A 14 -9.289 -0.350 -14.479 1.00 0.00 H new ATOM 0 HA GLU A 14 -7.031 -1.321 -13.397 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.919 -0.695 -15.922 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -6.596 0.442 -15.761 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.876 -2.265 -14.869 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.399 -2.220 -16.541 1.00 0.00 H new ATOM 217 N ALA A 15 -6.897 1.940 -13.281 1.00 0.00 N ATOM 218 CA ALA A 15 -6.151 3.064 -12.728 1.00 0.00 C ATOM 219 C ALA A 15 -6.064 2.970 -11.207 1.00 0.00 C ATOM 220 O ALA A 15 -4.990 3.122 -10.626 1.00 0.00 O ATOM 221 CB ALA A 15 -6.793 4.379 -13.142 1.00 0.00 C ATOM 0 H ALA A 15 -7.816 2.183 -13.650 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.137 3.027 -13.127 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.225 5.209 -12.722 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -6.797 4.456 -14.229 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -7.818 4.416 -12.772 1.00 0.00 H new ATOM 227 N LEU A 16 -7.203 2.721 -10.568 1.00 0.00 N ATOM 228 CA LEU A 16 -7.256 2.608 -9.115 1.00 0.00 C ATOM 229 C LEU A 16 -6.349 1.486 -8.622 1.00 0.00 C ATOM 230 O LEU A 16 -5.392 1.726 -7.884 1.00 0.00 O ATOM 231 CB LEU A 16 -8.694 2.358 -8.654 1.00 0.00 C ATOM 232 CG LEU A 16 -9.048 2.949 -7.289 1.00 0.00 C ATOM 233 CD1 LEU A 16 -8.076 2.460 -6.226 1.00 0.00 C ATOM 234 CD2 LEU A 16 -9.052 4.470 -7.352 1.00 0.00 C ATOM 0 H LEU A 16 -8.101 2.594 -11.034 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.904 3.548 -8.690 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -9.375 2.770 -9.399 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -8.868 1.282 -8.623 1.00 0.00 H new ATOM 0 HG LEU A 16 -10.049 2.613 -7.018 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -8.344 2.891 -5.262 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -8.123 1.373 -6.163 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -7.064 2.765 -6.491 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -9.306 4.874 -6.372 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -8.064 4.825 -7.646 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -9.789 4.802 -8.083 1.00 0.00 H new ATOM 246 N ARG A 17 -6.655 0.259 -9.034 1.00 0.00 N ATOM 247 CA ARG A 17 -5.867 -0.902 -8.634 1.00 0.00 C ATOM 248 C ARG A 17 -4.382 -0.675 -8.901 1.00 0.00 C ATOM 249 O ARG A 17 -3.531 -1.041 -8.090 1.00 0.00 O ATOM 250 CB ARG A 17 -6.344 -2.152 -9.377 1.00 0.00 C ATOM 251 CG ARG A 17 -6.457 -1.961 -10.881 1.00 0.00 C ATOM 252 CD ARG A 17 -7.624 -2.747 -11.459 1.00 0.00 C ATOM 253 NE ARG A 17 -7.233 -3.524 -12.631 1.00 0.00 N ATOM 254 CZ ARG A 17 -8.096 -4.004 -13.523 1.00 0.00 C ATOM 255 NH1 ARG A 17 -9.398 -3.791 -13.381 1.00 0.00 N ATOM 256 NH2 ARG A 17 -7.655 -4.701 -14.563 1.00 0.00 N ATOM 0 H ARG A 17 -7.443 0.043 -9.645 1.00 0.00 H new ATOM 0 HA ARG A 17 -6.006 -1.048 -7.563 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -5.653 -2.971 -9.174 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -7.316 -2.450 -8.983 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -6.584 -0.902 -11.105 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -5.531 -2.279 -11.359 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -8.023 -3.416 -10.697 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -8.425 -2.060 -11.731 1.00 0.00 H new ATOM 0 HE ARG A 17 -6.240 -3.710 -12.775 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -9.743 -3.256 -12.584 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -10.053 -4.162 -14.069 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -6.655 -4.868 -14.678 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -8.316 -5.069 -15.247 1.00 0.00 H new ATOM 270 N GLU A 18 -4.078 -0.063 -10.042 1.00 0.00 N ATOM 271 CA GLU A 18 -2.695 0.218 -10.410 1.00 0.00 C ATOM 272 C GLU A 18 -2.042 1.147 -9.394 1.00 0.00 C ATOM 273 O GLU A 18 -0.896 0.941 -8.996 1.00 0.00 O ATOM 274 CB GLU A 18 -2.634 0.845 -11.805 1.00 0.00 C ATOM 275 CG GLU A 18 -2.588 -0.178 -12.929 1.00 0.00 C ATOM 276 CD GLU A 18 -1.324 -1.015 -12.904 1.00 0.00 C ATOM 277 OE1 GLU A 18 -0.233 -0.454 -13.138 1.00 0.00 O ATOM 278 OE2 GLU A 18 -1.426 -2.234 -12.649 1.00 0.00 O ATOM 0 H GLU A 18 -4.769 0.247 -10.725 1.00 0.00 H new ATOM 0 HA GLU A 18 -2.148 -0.725 -10.419 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.504 1.487 -11.944 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.753 1.483 -11.869 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.455 -0.834 -12.854 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.660 0.337 -13.887 1.00 0.00 H new ATOM 285 N PHE A 19 -2.781 2.172 -8.974 1.00 0.00 N ATOM 286 CA PHE A 19 -2.274 3.135 -8.002 1.00 0.00 C ATOM 287 C PHE A 19 -1.787 2.430 -6.740 1.00 0.00 C ATOM 288 O PHE A 19 -0.702 2.718 -6.236 1.00 0.00 O ATOM 289 CB PHE A 19 -3.360 4.152 -7.646 1.00 0.00 C ATOM 290 CG PHE A 19 -2.891 5.230 -6.712 1.00 0.00 C ATOM 291 CD1 PHE A 19 -2.281 6.373 -7.204 1.00 0.00 C ATOM 292 CD2 PHE A 19 -3.056 5.100 -5.343 1.00 0.00 C ATOM 293 CE1 PHE A 19 -1.848 7.367 -6.348 1.00 0.00 C ATOM 294 CE2 PHE A 19 -2.626 6.090 -4.481 1.00 0.00 C ATOM 295 CZ PHE A 19 -2.020 7.225 -4.984 1.00 0.00 C ATOM 0 H PHE A 19 -3.732 2.356 -9.292 1.00 0.00 H new ATOM 0 HA PHE A 19 -1.430 3.658 -8.452 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -3.729 4.612 -8.562 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -4.201 3.629 -7.191 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -2.143 6.488 -8.269 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.527 4.213 -4.944 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -1.376 8.254 -6.744 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -2.763 5.977 -3.416 1.00 0.00 H new ATOM 0 HZ PHE A 19 -1.681 8.000 -4.313 1.00 0.00 H new ATOM 305 N VAL A 20 -2.595 1.501 -6.236 1.00 0.00 N ATOM 306 CA VAL A 20 -2.240 0.755 -5.036 1.00 0.00 C ATOM 307 C VAL A 20 -0.952 -0.032 -5.249 1.00 0.00 C ATOM 308 O VAL A 20 -0.035 0.025 -4.429 1.00 0.00 O ATOM 309 CB VAL A 20 -3.361 -0.220 -4.624 1.00 0.00 C ATOM 310 CG1 VAL A 20 -3.045 -0.862 -3.282 1.00 0.00 C ATOM 311 CG2 VAL A 20 -4.703 0.497 -4.578 1.00 0.00 C ATOM 0 H VAL A 20 -3.497 1.249 -6.640 1.00 0.00 H new ATOM 0 HA VAL A 20 -2.096 1.484 -4.239 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.423 -1.010 -5.372 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.848 -1.547 -3.008 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.107 -1.413 -3.354 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.953 -0.087 -2.521 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.482 -0.207 -4.285 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -4.657 1.309 -3.853 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.932 0.903 -5.563 1.00 0.00 H new ATOM 321 N THR A 21 -0.888 -0.760 -6.357 1.00 0.00 N ATOM 322 CA THR A 21 0.289 -1.555 -6.684 1.00 0.00 C ATOM 323 C THR A 21 1.486 -0.653 -6.971 1.00 0.00 C ATOM 324 O THR A 21 2.632 -1.030 -6.728 1.00 0.00 O ATOM 325 CB THR A 21 0.010 -2.451 -7.892 1.00 0.00 C ATOM 326 OG1 THR A 21 -1.322 -2.932 -7.861 1.00 0.00 O ATOM 327 CG2 THR A 21 0.929 -3.650 -7.974 1.00 0.00 C ATOM 0 H THR A 21 -1.639 -0.816 -7.045 1.00 0.00 H new ATOM 0 HA THR A 21 0.523 -2.183 -5.825 1.00 0.00 H new ATOM 0 HB THR A 21 0.183 -1.821 -8.765 1.00 0.00 H new ATOM 0 HG1 THR A 21 -1.482 -3.502 -8.642 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.677 -4.242 -8.853 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.963 -3.312 -8.049 1.00 0.00 H new ATOM 0 HG23 THR A 21 0.811 -4.261 -7.079 1.00 0.00 H new ATOM 335 N ALA A 22 1.210 0.542 -7.487 1.00 0.00 N ATOM 336 CA ALA A 22 2.262 1.499 -7.804 1.00 0.00 C ATOM 337 C ALA A 22 3.075 1.843 -6.562 1.00 0.00 C ATOM 338 O ALA A 22 4.305 1.868 -6.599 1.00 0.00 O ATOM 339 CB ALA A 22 1.665 2.758 -8.414 1.00 0.00 C ATOM 0 H ALA A 22 0.266 0.869 -7.694 1.00 0.00 H new ATOM 0 HA ALA A 22 2.932 1.042 -8.532 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.463 3.464 -8.646 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.131 2.501 -9.329 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.973 3.213 -7.705 1.00 0.00 H new ATOM 345 N LYS A 23 2.379 2.104 -5.460 1.00 0.00 N ATOM 346 CA LYS A 23 3.037 2.440 -4.204 1.00 0.00 C ATOM 347 C LYS A 23 3.822 1.246 -3.676 1.00 0.00 C ATOM 348 O LYS A 23 5.008 1.357 -3.360 1.00 0.00 O ATOM 349 CB LYS A 23 2.006 2.889 -3.166 1.00 0.00 C ATOM 350 CG LYS A 23 1.051 3.957 -3.678 1.00 0.00 C ATOM 351 CD LYS A 23 1.796 5.216 -4.092 1.00 0.00 C ATOM 352 CE LYS A 23 0.898 6.162 -4.873 1.00 0.00 C ATOM 353 NZ LYS A 23 1.683 7.070 -5.755 1.00 0.00 N ATOM 0 H LYS A 23 1.360 2.089 -5.412 1.00 0.00 H new ATOM 0 HA LYS A 23 3.731 3.260 -4.389 1.00 0.00 H new ATOM 0 HB2 LYS A 23 1.429 2.023 -2.841 1.00 0.00 H new ATOM 0 HB3 LYS A 23 2.528 3.271 -2.289 1.00 0.00 H new ATOM 0 HG2 LYS A 23 0.490 3.568 -4.528 1.00 0.00 H new ATOM 0 HG3 LYS A 23 0.325 4.201 -2.902 1.00 0.00 H new ATOM 0 HD2 LYS A 23 2.177 5.723 -3.205 1.00 0.00 H new ATOM 0 HD3 LYS A 23 2.659 4.946 -4.701 1.00 0.00 H new ATOM 0 HE2 LYS A 23 0.199 5.584 -5.477 1.00 0.00 H new ATOM 0 HE3 LYS A 23 0.303 6.755 -4.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 1.035 7.699 -6.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 2.332 7.640 -5.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 2.231 6.505 -6.435 1.00 0.00 H new ATOM 367 N PHE A 24 3.154 0.099 -3.589 1.00 0.00 N ATOM 368 CA PHE A 24 3.790 -1.121 -3.106 1.00 0.00 C ATOM 369 C PHE A 24 5.068 -1.407 -3.889 1.00 0.00 C ATOM 370 O PHE A 24 6.103 -1.730 -3.308 1.00 0.00 O ATOM 371 CB PHE A 24 2.828 -2.304 -3.219 1.00 0.00 C ATOM 372 CG PHE A 24 2.117 -2.619 -1.935 1.00 0.00 C ATOM 373 CD1 PHE A 24 2.750 -3.346 -0.939 1.00 0.00 C ATOM 374 CD2 PHE A 24 0.818 -2.187 -1.723 1.00 0.00 C ATOM 375 CE1 PHE A 24 2.098 -3.636 0.246 1.00 0.00 C ATOM 376 CE2 PHE A 24 0.162 -2.474 -0.540 1.00 0.00 C ATOM 377 CZ PHE A 24 0.803 -3.199 0.444 1.00 0.00 C ATOM 0 H PHE A 24 2.173 -0.010 -3.847 1.00 0.00 H new ATOM 0 HA PHE A 24 4.050 -0.979 -2.057 1.00 0.00 H new ATOM 0 HB2 PHE A 24 2.089 -2.090 -3.991 1.00 0.00 H new ATOM 0 HB3 PHE A 24 3.383 -3.184 -3.544 1.00 0.00 H new ATOM 0 HD1 PHE A 24 3.763 -3.690 -1.090 1.00 0.00 H new ATOM 0 HD2 PHE A 24 0.312 -1.620 -2.490 1.00 0.00 H new ATOM 0 HE1 PHE A 24 2.601 -4.203 1.015 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -0.851 -2.131 -0.386 1.00 0.00 H new ATOM 0 HZ PHE A 24 0.292 -3.424 1.368 1.00 0.00 H new ATOM 387 N ALA A 25 4.988 -1.275 -5.210 1.00 0.00 N ATOM 388 CA ALA A 25 6.140 -1.511 -6.073 1.00 0.00 C ATOM 389 C ALA A 25 7.339 -0.689 -5.614 1.00 0.00 C ATOM 390 O ALA A 25 8.423 -1.228 -5.388 1.00 0.00 O ATOM 391 CB ALA A 25 5.793 -1.184 -7.518 1.00 0.00 C ATOM 0 H ALA A 25 4.138 -1.006 -5.705 1.00 0.00 H new ATOM 0 HA ALA A 25 6.406 -2.566 -6.007 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.662 -1.365 -8.151 1.00 0.00 H new ATOM 0 HB2 ALA A 25 4.968 -1.816 -7.846 1.00 0.00 H new ATOM 0 HB3 ALA A 25 5.500 -0.137 -7.594 1.00 0.00 H new ATOM 397 N LYS A 26 7.137 0.618 -5.472 1.00 0.00 N ATOM 398 CA LYS A 26 8.199 1.516 -5.032 1.00 0.00 C ATOM 399 C LYS A 26 8.792 1.043 -3.707 1.00 0.00 C ATOM 400 O LYS A 26 9.964 1.282 -3.420 1.00 0.00 O ATOM 401 CB LYS A 26 7.666 2.941 -4.889 1.00 0.00 C ATOM 402 CG LYS A 26 8.731 4.011 -5.072 1.00 0.00 C ATOM 403 CD LYS A 26 8.775 4.968 -3.891 1.00 0.00 C ATOM 404 CE LYS A 26 9.825 4.549 -2.873 1.00 0.00 C ATOM 405 NZ LYS A 26 9.507 5.051 -1.507 1.00 0.00 N ATOM 0 H LYS A 26 6.246 1.079 -5.656 1.00 0.00 H new ATOM 0 HA LYS A 26 8.986 1.508 -5.786 1.00 0.00 H new ATOM 0 HB2 LYS A 26 6.875 3.099 -5.622 1.00 0.00 H new ATOM 0 HB3 LYS A 26 7.215 3.054 -3.903 1.00 0.00 H new ATOM 0 HG2 LYS A 26 9.705 3.538 -5.193 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.532 4.570 -5.986 1.00 0.00 H new ATOM 0 HD2 LYS A 26 8.992 5.976 -4.246 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.796 5.003 -3.413 1.00 0.00 H new ATOM 0 HE2 LYS A 26 9.897 3.462 -2.852 1.00 0.00 H new ATOM 0 HE3 LYS A 26 10.800 4.927 -3.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 10.033 5.930 -1.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 8.486 5.238 -1.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 9.779 4.336 -0.802 1.00 0.00 H new ATOM 419 N LEU A 27 7.974 0.362 -2.910 1.00 0.00 N ATOM 420 CA LEU A 27 8.422 -0.157 -1.622 1.00 0.00 C ATOM 421 C LEU A 27 9.165 -1.477 -1.805 1.00 0.00 C ATOM 422 O LEU A 27 10.032 -1.832 -1.007 1.00 0.00 O ATOM 423 CB LEU A 27 7.230 -0.357 -0.684 1.00 0.00 C ATOM 424 CG LEU A 27 6.784 0.894 0.076 1.00 0.00 C ATOM 425 CD1 LEU A 27 5.850 1.735 -0.778 1.00 0.00 C ATOM 426 CD2 LEU A 27 6.114 0.510 1.386 1.00 0.00 C ATOM 0 H LEU A 27 7.000 0.157 -3.133 1.00 0.00 H new ATOM 0 HA LEU A 27 9.103 0.570 -1.179 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.387 -0.729 -1.267 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.483 -1.132 0.040 1.00 0.00 H new ATOM 0 HG LEU A 27 7.667 1.491 0.304 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.544 2.620 -0.220 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.366 2.041 -1.688 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.969 1.149 -1.039 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.803 1.412 1.914 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.241 -0.109 1.180 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.817 -0.048 2.004 1.00 0.00 H new ATOM 438 N GLU A 28 8.816 -2.196 -2.868 1.00 0.00 N ATOM 439 CA GLU A 28 9.438 -3.480 -3.177 1.00 0.00 C ATOM 440 C GLU A 28 10.932 -3.329 -3.462 1.00 0.00 C ATOM 441 O GLU A 28 11.666 -4.317 -3.486 1.00 0.00 O ATOM 442 CB GLU A 28 8.744 -4.127 -4.376 1.00 0.00 C ATOM 443 CG GLU A 28 8.610 -5.636 -4.259 1.00 0.00 C ATOM 444 CD GLU A 28 8.386 -6.308 -5.599 1.00 0.00 C ATOM 445 OE1 GLU A 28 7.222 -6.360 -6.050 1.00 0.00 O ATOM 446 OE2 GLU A 28 9.374 -6.783 -6.197 1.00 0.00 O ATOM 0 H GLU A 28 8.100 -1.908 -3.535 1.00 0.00 H new ATOM 0 HA GLU A 28 9.326 -4.120 -2.302 1.00 0.00 H new ATOM 0 HB2 GLU A 28 7.752 -3.690 -4.490 1.00 0.00 H new ATOM 0 HB3 GLU A 28 9.303 -3.889 -5.281 1.00 0.00 H new ATOM 0 HG2 GLU A 28 9.511 -6.042 -3.799 1.00 0.00 H new ATOM 0 HG3 GLU A 28 7.779 -5.873 -3.595 1.00 0.00 H new ATOM 453 N GLN A 29 11.381 -2.095 -3.674 1.00 0.00 N ATOM 454 CA GLN A 29 12.790 -1.837 -3.952 1.00 0.00 C ATOM 455 C GLN A 29 13.646 -2.103 -2.718 1.00 0.00 C ATOM 456 O GLN A 29 14.584 -2.898 -2.761 1.00 0.00 O ATOM 457 CB GLN A 29 12.984 -0.393 -4.420 1.00 0.00 C ATOM 458 CG GLN A 29 14.412 -0.077 -4.835 1.00 0.00 C ATOM 459 CD GLN A 29 14.520 1.227 -5.602 1.00 0.00 C ATOM 460 OE1 GLN A 29 13.819 1.438 -6.591 1.00 0.00 O ATOM 461 NE2 GLN A 29 15.404 2.109 -5.149 1.00 0.00 N ATOM 0 H GLN A 29 10.793 -1.262 -3.659 1.00 0.00 H new ATOM 0 HA GLN A 29 13.107 -2.514 -4.745 1.00 0.00 H new ATOM 0 HB2 GLN A 29 12.318 -0.199 -5.261 1.00 0.00 H new ATOM 0 HB3 GLN A 29 12.689 0.283 -3.618 1.00 0.00 H new ATOM 0 HG2 GLN A 29 15.042 -0.025 -3.947 1.00 0.00 H new ATOM 0 HG3 GLN A 29 14.796 -0.890 -5.451 1.00 0.00 H new ATOM 0 HE21 GLN A 29 15.964 1.892 -4.325 1.00 0.00 H new ATOM 0 HE22 GLN A 29 15.522 3.003 -5.625 1.00 0.00 H new ATOM 470 N TYR A 30 13.318 -1.430 -1.619 1.00 0.00 N ATOM 471 CA TYR A 30 14.063 -1.598 -0.372 1.00 0.00 C ATOM 472 C TYR A 30 13.486 -2.730 0.474 1.00 0.00 C ATOM 473 O TYR A 30 14.177 -3.287 1.328 1.00 0.00 O ATOM 474 CB TYR A 30 14.094 -0.294 0.435 1.00 0.00 C ATOM 475 CG TYR A 30 12.836 0.541 0.328 1.00 0.00 C ATOM 476 CD1 TYR A 30 11.651 0.131 0.923 1.00 0.00 C ATOM 477 CD2 TYR A 30 12.839 1.745 -0.366 1.00 0.00 C ATOM 478 CE1 TYR A 30 10.503 0.897 0.830 1.00 0.00 C ATOM 479 CE2 TYR A 30 11.697 2.516 -0.463 1.00 0.00 C ATOM 480 CZ TYR A 30 10.532 2.088 0.136 1.00 0.00 C ATOM 481 OH TYR A 30 9.394 2.854 0.041 1.00 0.00 O ATOM 0 H TYR A 30 12.546 -0.766 -1.565 1.00 0.00 H new ATOM 0 HA TYR A 30 15.086 -1.862 -0.640 1.00 0.00 H new ATOM 0 HB2 TYR A 30 14.267 -0.535 1.484 1.00 0.00 H new ATOM 0 HB3 TYR A 30 14.942 0.305 0.102 1.00 0.00 H new ATOM 0 HD1 TYR A 30 11.625 -0.801 1.467 1.00 0.00 H new ATOM 0 HD2 TYR A 30 13.750 2.084 -0.838 1.00 0.00 H new ATOM 0 HE1 TYR A 30 9.589 0.564 1.299 1.00 0.00 H new ATOM 0 HE2 TYR A 30 11.717 3.450 -1.006 1.00 0.00 H new ATOM 0 HH TYR A 30 9.366 3.492 0.784 1.00 0.00 H new ATOM 491 N PHE A 31 12.225 -3.078 0.232 1.00 0.00 N ATOM 492 CA PHE A 31 11.579 -4.155 0.978 1.00 0.00 C ATOM 493 C PHE A 31 11.625 -5.460 0.188 1.00 0.00 C ATOM 494 O PHE A 31 11.084 -5.549 -0.915 1.00 0.00 O ATOM 495 CB PHE A 31 10.124 -3.797 1.302 1.00 0.00 C ATOM 496 CG PHE A 31 9.969 -2.678 2.300 1.00 0.00 C ATOM 497 CD1 PHE A 31 10.967 -2.396 3.222 1.00 0.00 C ATOM 498 CD2 PHE A 31 8.815 -1.911 2.316 1.00 0.00 C ATOM 499 CE1 PHE A 31 10.816 -1.370 4.136 1.00 0.00 C ATOM 500 CE2 PHE A 31 8.658 -0.884 3.227 1.00 0.00 C ATOM 501 CZ PHE A 31 9.661 -0.614 4.138 1.00 0.00 C ATOM 0 H PHE A 31 11.633 -2.634 -0.470 1.00 0.00 H new ATOM 0 HA PHE A 31 12.124 -4.287 1.912 1.00 0.00 H new ATOM 0 HB2 PHE A 31 9.616 -3.518 0.379 1.00 0.00 H new ATOM 0 HB3 PHE A 31 9.621 -4.684 1.687 1.00 0.00 H new ATOM 0 HD1 PHE A 31 11.872 -2.985 3.226 1.00 0.00 H new ATOM 0 HD2 PHE A 31 8.028 -2.119 1.607 1.00 0.00 H new ATOM 0 HE1 PHE A 31 11.601 -1.160 4.848 1.00 0.00 H new ATOM 0 HE2 PHE A 31 7.754 -0.294 3.227 1.00 0.00 H new ATOM 0 HZ PHE A 31 9.541 0.188 4.851 1.00 0.00 H new ATOM 511 N ASP A 32 12.276 -6.468 0.759 1.00 0.00 N ATOM 512 CA ASP A 32 12.394 -7.768 0.107 1.00 0.00 C ATOM 513 C ASP A 32 11.487 -8.799 0.773 1.00 0.00 C ATOM 514 O ASP A 32 11.065 -9.767 0.141 1.00 0.00 O ATOM 515 CB ASP A 32 13.845 -8.250 0.147 1.00 0.00 C ATOM 516 CG ASP A 32 14.164 -9.215 -0.978 1.00 0.00 C ATOM 517 OD1 ASP A 32 13.551 -9.090 -2.059 1.00 0.00 O ATOM 518 OD2 ASP A 32 15.028 -10.094 -0.780 1.00 0.00 O ATOM 0 H ASP A 32 12.730 -6.410 1.671 1.00 0.00 H new ATOM 0 HA ASP A 32 12.082 -7.654 -0.931 1.00 0.00 H new ATOM 0 HB2 ASP A 32 14.512 -7.390 0.085 1.00 0.00 H new ATOM 0 HB3 ASP A 32 14.038 -8.735 1.104 1.00 0.00 H new ATOM 523 N ARG A 33 11.190 -8.586 2.050 1.00 0.00 N ATOM 524 CA ARG A 33 10.333 -9.499 2.797 1.00 0.00 C ATOM 525 C ARG A 33 8.871 -9.317 2.405 1.00 0.00 C ATOM 526 O ARG A 33 8.042 -8.914 3.222 1.00 0.00 O ATOM 527 CB ARG A 33 10.502 -9.277 4.302 1.00 0.00 C ATOM 528 CG ARG A 33 11.952 -9.158 4.743 1.00 0.00 C ATOM 529 CD ARG A 33 12.692 -10.478 4.591 1.00 0.00 C ATOM 530 NE ARG A 33 14.141 -10.294 4.577 1.00 0.00 N ATOM 531 CZ ARG A 33 15.007 -11.264 4.290 1.00 0.00 C ATOM 532 NH1 ARG A 33 14.575 -12.483 3.992 1.00 0.00 N ATOM 533 NH2 ARG A 33 16.309 -11.013 4.300 1.00 0.00 N ATOM 0 H ARG A 33 11.530 -7.790 2.589 1.00 0.00 H new ATOM 0 HA ARG A 33 10.632 -10.518 2.552 1.00 0.00 H new ATOM 0 HB2 ARG A 33 9.969 -8.371 4.589 1.00 0.00 H new ATOM 0 HB3 ARG A 33 10.035 -10.104 4.837 1.00 0.00 H new ATOM 0 HG2 ARG A 33 12.451 -8.390 4.152 1.00 0.00 H new ATOM 0 HG3 ARG A 33 11.991 -8.835 5.783 1.00 0.00 H new ATOM 0 HD2 ARG A 33 12.419 -11.143 5.410 1.00 0.00 H new ATOM 0 HD3 ARG A 33 12.379 -10.965 3.667 1.00 0.00 H new ATOM 0 HE ARG A 33 14.511 -9.370 4.800 1.00 0.00 H new ATOM 0 HH11 ARG A 33 13.574 -12.681 3.982 1.00 0.00 H new ATOM 0 HH12 ARG A 33 15.243 -13.222 3.773 1.00 0.00 H new ATOM 0 HH21 ARG A 33 16.646 -10.078 4.527 1.00 0.00 H new ATOM 0 HH22 ARG A 33 16.973 -11.755 4.080 1.00 0.00 H new ATOM 547 N ILE A 34 8.558 -9.617 1.149 1.00 0.00 N ATOM 548 CA ILE A 34 7.196 -9.488 0.650 1.00 0.00 C ATOM 549 C ILE A 34 6.828 -10.661 -0.252 1.00 0.00 C ATOM 550 O ILE A 34 7.438 -10.863 -1.301 1.00 0.00 O ATOM 551 CB ILE A 34 7.005 -8.174 -0.133 1.00 0.00 C ATOM 552 CG1 ILE A 34 7.567 -6.994 0.661 1.00 0.00 C ATOM 553 CG2 ILE A 34 5.533 -7.955 -0.449 1.00 0.00 C ATOM 554 CD1 ILE A 34 7.715 -5.731 -0.159 1.00 0.00 C ATOM 0 H ILE A 34 9.230 -9.951 0.459 1.00 0.00 H new ATOM 0 HA ILE A 34 6.540 -9.482 1.521 1.00 0.00 H new ATOM 0 HB ILE A 34 7.551 -8.246 -1.073 1.00 0.00 H new ATOM 0 HG12 ILE A 34 6.913 -6.792 1.509 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.540 -7.270 1.067 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.414 -7.023 -1.002 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.163 -8.784 -1.052 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.966 -7.900 0.480 1.00 0.00 H new ATOM 0 HD11 ILE A 34 8.119 -4.936 0.468 1.00 0.00 H new ATOM 0 HD12 ILE A 34 8.393 -5.916 -0.992 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.740 -5.431 -0.544 1.00 0.00 H new ATOM 566 N ASN A 35 5.832 -11.435 0.165 1.00 0.00 N ATOM 567 CA ASN A 35 5.389 -12.592 -0.608 1.00 0.00 C ATOM 568 C ASN A 35 3.930 -12.442 -1.033 1.00 0.00 C ATOM 569 O ASN A 35 3.618 -12.476 -2.224 1.00 0.00 O ATOM 570 CB ASN A 35 5.567 -13.878 0.204 1.00 0.00 C ATOM 571 CG ASN A 35 5.186 -13.708 1.662 1.00 0.00 C ATOM 572 OD1 ASN A 35 5.709 -12.835 2.355 1.00 0.00 O ATOM 573 ND2 ASN A 35 4.269 -14.543 2.136 1.00 0.00 N ATOM 0 H ASN A 35 5.316 -11.284 1.032 1.00 0.00 H new ATOM 0 HA ASN A 35 6.005 -12.650 -1.506 1.00 0.00 H new ATOM 0 HB2 ASN A 35 4.958 -14.668 -0.236 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.606 -14.202 0.140 1.00 0.00 H new ATOM 0 HD21 ASN A 35 3.972 -14.475 3.110 1.00 0.00 H new ATOM 0 HD22 ASN A 35 3.861 -15.252 1.527 1.00 0.00 H new ATOM 580 N GLN A 36 3.043 -12.281 -0.058 1.00 0.00 N ATOM 581 CA GLN A 36 1.619 -12.131 -0.341 1.00 0.00 C ATOM 582 C GLN A 36 1.055 -10.887 0.335 1.00 0.00 C ATOM 583 O GLN A 36 1.049 -10.784 1.561 1.00 0.00 O ATOM 584 CB GLN A 36 0.852 -13.368 0.124 1.00 0.00 C ATOM 585 CG GLN A 36 -0.551 -13.467 -0.453 1.00 0.00 C ATOM 586 CD GLN A 36 -0.695 -14.608 -1.443 1.00 0.00 C ATOM 587 OE1 GLN A 36 -1.212 -14.426 -2.546 1.00 0.00 O ATOM 588 NE2 GLN A 36 -0.237 -15.790 -1.054 1.00 0.00 N ATOM 0 H GLN A 36 3.283 -12.251 0.933 1.00 0.00 H new ATOM 0 HA GLN A 36 1.500 -12.021 -1.419 1.00 0.00 H new ATOM 0 HB2 GLN A 36 1.414 -14.260 -0.154 1.00 0.00 H new ATOM 0 HB3 GLN A 36 0.788 -13.358 1.212 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -1.265 -13.603 0.359 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -0.804 -12.529 -0.946 1.00 0.00 H new ATOM 0 HE21 GLN A 36 0.184 -15.895 -0.131 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -0.306 -16.594 -1.678 1.00 0.00 H new ATOM 597 N VAL A 37 0.580 -9.945 -0.473 1.00 0.00 N ATOM 598 CA VAL A 37 0.011 -8.707 0.046 1.00 0.00 C ATOM 599 C VAL A 37 -1.427 -8.528 -0.423 1.00 0.00 C ATOM 600 O VAL A 37 -1.733 -8.711 -1.601 1.00 0.00 O ATOM 601 CB VAL A 37 0.830 -7.477 -0.395 1.00 0.00 C ATOM 602 CG1 VAL A 37 0.440 -6.253 0.421 1.00 0.00 C ATOM 603 CG2 VAL A 37 2.322 -7.754 -0.278 1.00 0.00 C ATOM 0 H VAL A 37 0.578 -10.016 -1.491 1.00 0.00 H new ATOM 0 HA VAL A 37 0.037 -8.783 1.133 1.00 0.00 H new ATOM 0 HB VAL A 37 0.605 -7.273 -1.442 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.029 -5.396 0.095 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -0.619 -6.042 0.276 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.631 -6.444 1.477 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.881 -6.873 -0.594 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.568 -7.988 0.758 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.586 -8.599 -0.914 1.00 0.00 H new ATOM 613 N TYR A 38 -2.308 -8.160 0.503 1.00 0.00 N ATOM 614 CA TYR A 38 -3.711 -7.945 0.174 1.00 0.00 C ATOM 615 C TYR A 38 -4.199 -6.613 0.731 1.00 0.00 C ATOM 616 O TYR A 38 -3.911 -6.260 1.875 1.00 0.00 O ATOM 617 CB TYR A 38 -4.582 -9.091 0.705 1.00 0.00 C ATOM 618 CG TYR A 38 -4.114 -9.672 2.022 1.00 0.00 C ATOM 619 CD1 TYR A 38 -2.926 -10.389 2.106 1.00 0.00 C ATOM 620 CD2 TYR A 38 -4.865 -9.509 3.180 1.00 0.00 C ATOM 621 CE1 TYR A 38 -2.501 -10.925 3.306 1.00 0.00 C ATOM 622 CE2 TYR A 38 -4.445 -10.041 4.383 1.00 0.00 C ATOM 623 CZ TYR A 38 -3.263 -10.749 4.442 1.00 0.00 C ATOM 624 OH TYR A 38 -2.842 -11.282 5.638 1.00 0.00 O ATOM 0 H TYR A 38 -2.075 -8.005 1.484 1.00 0.00 H new ATOM 0 HA TYR A 38 -3.798 -7.921 -0.912 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -5.604 -8.730 0.823 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -4.609 -9.886 -0.040 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -2.326 -10.529 1.219 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -5.792 -8.957 3.138 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -1.576 -11.480 3.354 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -5.040 -9.903 5.274 1.00 0.00 H new ATOM 0 HH TYR A 38 -2.053 -11.843 5.486 1.00 0.00 H new ATOM 634 N VAL A 39 -4.935 -5.873 -0.092 1.00 0.00 N ATOM 635 CA VAL A 39 -5.459 -4.574 0.309 1.00 0.00 C ATOM 636 C VAL A 39 -6.959 -4.481 0.055 1.00 0.00 C ATOM 637 O VAL A 39 -7.475 -5.058 -0.902 1.00 0.00 O ATOM 638 CB VAL A 39 -4.753 -3.429 -0.442 1.00 0.00 C ATOM 639 CG1 VAL A 39 -5.128 -2.082 0.159 1.00 0.00 C ATOM 640 CG2 VAL A 39 -3.244 -3.627 -0.423 1.00 0.00 C ATOM 0 H VAL A 39 -5.182 -6.152 -1.042 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.268 -4.474 1.377 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.086 -3.443 -1.480 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.619 -1.286 -0.385 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.206 -1.939 0.087 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -4.828 -2.055 1.206 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.763 -2.808 -0.958 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.892 -3.643 0.608 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.995 -4.572 -0.906 1.00 0.00 H new ATOM 650 N VAL A 40 -7.653 -3.746 0.919 1.00 0.00 N ATOM 651 CA VAL A 40 -9.094 -3.569 0.788 1.00 0.00 C ATOM 652 C VAL A 40 -9.513 -2.190 1.267 1.00 0.00 C ATOM 653 O VAL A 40 -9.128 -1.747 2.349 1.00 0.00 O ATOM 654 CB VAL A 40 -9.873 -4.638 1.575 1.00 0.00 C ATOM 655 CG1 VAL A 40 -11.358 -4.565 1.253 1.00 0.00 C ATOM 656 CG2 VAL A 40 -9.326 -6.025 1.278 1.00 0.00 C ATOM 0 H VAL A 40 -7.240 -3.264 1.717 1.00 0.00 H new ATOM 0 HA VAL A 40 -9.332 -3.675 -0.270 1.00 0.00 H new ATOM 0 HB VAL A 40 -9.745 -4.441 2.639 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -11.891 -5.329 1.819 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -11.741 -3.580 1.522 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -11.508 -4.733 0.187 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -9.889 -6.767 1.844 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -9.420 -6.233 0.212 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -8.275 -6.071 1.565 1.00 0.00 H new ATOM 666 N LEU A 41 -10.289 -1.512 0.438 1.00 0.00 N ATOM 667 CA LEU A 41 -10.753 -0.171 0.747 1.00 0.00 C ATOM 668 C LEU A 41 -12.256 -0.025 0.522 1.00 0.00 C ATOM 669 O LEU A 41 -12.785 -0.433 -0.511 1.00 0.00 O ATOM 670 CB LEU A 41 -9.982 0.851 -0.092 1.00 0.00 C ATOM 671 CG LEU A 41 -9.555 0.374 -1.486 1.00 0.00 C ATOM 672 CD1 LEU A 41 -8.511 -0.729 -1.385 1.00 0.00 C ATOM 673 CD2 LEU A 41 -10.760 -0.090 -2.292 1.00 0.00 C ATOM 0 H LEU A 41 -10.612 -1.872 -0.460 1.00 0.00 H new ATOM 0 HA LEU A 41 -10.565 0.015 1.804 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -10.600 1.742 -0.205 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -9.090 1.149 0.460 1.00 0.00 H new ATOM 0 HG LEU A 41 -9.104 1.217 -2.009 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.224 -1.051 -2.386 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.634 -0.352 -0.859 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.927 -1.575 -0.837 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.433 -0.424 -3.277 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -11.249 -0.915 -1.773 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -11.463 0.736 -2.404 1.00 0.00 H new ATOM 685 N LYS A 42 -12.931 0.568 1.499 1.00 0.00 N ATOM 686 CA LYS A 42 -14.369 0.782 1.419 1.00 0.00 C ATOM 687 C LYS A 42 -14.667 2.241 1.080 1.00 0.00 C ATOM 688 O LYS A 42 -14.036 3.155 1.615 1.00 0.00 O ATOM 689 CB LYS A 42 -15.040 0.380 2.740 1.00 0.00 C ATOM 690 CG LYS A 42 -16.398 1.027 2.974 1.00 0.00 C ATOM 691 CD LYS A 42 -17.021 0.559 4.280 1.00 0.00 C ATOM 692 CE LYS A 42 -16.139 0.899 5.470 1.00 0.00 C ATOM 693 NZ LYS A 42 -16.776 0.517 6.761 1.00 0.00 N ATOM 0 H LYS A 42 -12.503 0.910 2.359 1.00 0.00 H new ATOM 0 HA LYS A 42 -14.776 0.156 0.625 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -15.158 -0.703 2.759 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -14.378 0.643 3.565 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -16.288 2.111 2.990 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -17.064 0.787 2.145 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -17.999 1.024 4.405 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -17.183 -0.518 4.242 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -15.183 0.386 5.371 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -15.928 1.968 5.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -16.143 0.765 7.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -17.677 1.026 6.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -16.954 -0.508 6.770 1.00 0.00 H new ATOM 707 N VAL A 43 -15.628 2.448 0.187 1.00 0.00 N ATOM 708 CA VAL A 43 -16.008 3.791 -0.229 1.00 0.00 C ATOM 709 C VAL A 43 -17.443 4.109 0.174 1.00 0.00 C ATOM 710 O VAL A 43 -18.385 3.465 -0.287 1.00 0.00 O ATOM 711 CB VAL A 43 -15.866 3.967 -1.753 1.00 0.00 C ATOM 712 CG1 VAL A 43 -16.077 5.419 -2.147 1.00 0.00 C ATOM 713 CG2 VAL A 43 -14.508 3.469 -2.223 1.00 0.00 C ATOM 0 H VAL A 43 -16.158 1.702 -0.263 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.331 4.480 0.276 1.00 0.00 H new ATOM 0 HB VAL A 43 -16.635 3.369 -2.242 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -15.972 5.522 -3.227 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -17.076 5.736 -1.847 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -15.334 6.043 -1.650 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -14.425 3.601 -3.302 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -13.721 4.036 -1.727 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -14.403 2.412 -1.978 1.00 0.00 H new ATOM 723 N GLU A 44 -17.600 5.110 1.032 1.00 0.00 N ATOM 724 CA GLU A 44 -18.918 5.521 1.494 1.00 0.00 C ATOM 725 C GLU A 44 -19.030 7.041 1.503 1.00 0.00 C ATOM 726 O GLU A 44 -18.032 7.747 1.642 1.00 0.00 O ATOM 727 CB GLU A 44 -19.197 4.963 2.891 1.00 0.00 C ATOM 728 CG GLU A 44 -18.013 5.061 3.836 1.00 0.00 C ATOM 729 CD GLU A 44 -18.298 4.446 5.192 1.00 0.00 C ATOM 730 OE1 GLU A 44 -19.282 4.862 5.839 1.00 0.00 O ATOM 731 OE2 GLU A 44 -17.536 3.547 5.608 1.00 0.00 O ATOM 0 H GLU A 44 -16.829 5.652 1.422 1.00 0.00 H new ATOM 0 HA GLU A 44 -19.662 5.120 0.805 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -20.042 5.499 3.324 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -19.494 3.918 2.802 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -17.153 4.563 3.388 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -17.742 6.109 3.966 1.00 0.00 H new ATOM 738 N LYS A 45 -20.252 7.538 1.344 1.00 0.00 N ATOM 739 CA LYS A 45 -20.501 8.977 1.324 1.00 0.00 C ATOM 740 C LYS A 45 -19.922 9.672 2.556 1.00 0.00 C ATOM 741 O LYS A 45 -19.712 10.886 2.547 1.00 0.00 O ATOM 742 CB LYS A 45 -22.004 9.250 1.236 1.00 0.00 C ATOM 743 CG LYS A 45 -22.342 10.699 0.926 1.00 0.00 C ATOM 744 CD LYS A 45 -22.948 11.402 2.131 1.00 0.00 C ATOM 745 CE LYS A 45 -22.937 12.911 1.959 1.00 0.00 C ATOM 746 NZ LYS A 45 -22.739 13.617 3.255 1.00 0.00 N ATOM 0 H LYS A 45 -21.088 6.965 1.227 1.00 0.00 H new ATOM 0 HA LYS A 45 -20.001 9.383 0.445 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -22.436 8.612 0.465 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -22.471 8.971 2.180 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -21.440 11.225 0.613 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -23.041 10.740 0.091 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -23.972 11.059 2.277 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -22.391 11.133 3.029 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -22.142 13.192 1.268 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -23.877 13.232 1.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -22.738 14.644 3.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -23.511 13.370 3.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -21.830 13.331 3.671 1.00 0.00 H new ATOM 760 N VAL A 46 -19.669 8.909 3.618 1.00 0.00 N ATOM 761 CA VAL A 46 -19.125 9.474 4.846 1.00 0.00 C ATOM 762 C VAL A 46 -17.596 9.558 4.805 1.00 0.00 C ATOM 763 O VAL A 46 -17.036 10.602 4.471 1.00 0.00 O ATOM 764 CB VAL A 46 -19.570 8.664 6.081 1.00 0.00 C ATOM 765 CG1 VAL A 46 -19.032 9.289 7.360 1.00 0.00 C ATOM 766 CG2 VAL A 46 -21.087 8.560 6.131 1.00 0.00 C ATOM 0 H VAL A 46 -19.832 7.903 3.651 1.00 0.00 H new ATOM 0 HA VAL A 46 -19.522 10.486 4.927 1.00 0.00 H new ATOM 0 HB VAL A 46 -19.158 7.658 5.997 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -19.359 8.701 8.218 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -17.943 9.307 7.326 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -19.409 10.307 7.454 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -21.384 7.985 7.008 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -21.518 9.559 6.189 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -21.447 8.061 5.232 1.00 0.00 H new ATOM 776 N THR A 47 -16.923 8.461 5.153 1.00 0.00 N ATOM 777 CA THR A 47 -15.462 8.433 5.158 1.00 0.00 C ATOM 778 C THR A 47 -14.923 7.227 4.391 1.00 0.00 C ATOM 779 O THR A 47 -15.589 6.201 4.278 1.00 0.00 O ATOM 780 CB THR A 47 -14.939 8.407 6.594 1.00 0.00 C ATOM 781 OG1 THR A 47 -15.745 9.213 7.435 1.00 0.00 O ATOM 782 CG2 THR A 47 -13.512 8.896 6.720 1.00 0.00 C ATOM 0 H THR A 47 -17.364 7.585 5.433 1.00 0.00 H new ATOM 0 HA THR A 47 -15.112 9.337 4.660 1.00 0.00 H new ATOM 0 HB THR A 47 -14.975 7.360 6.896 1.00 0.00 H new ATOM 0 HG1 THR A 47 -15.995 10.033 6.960 1.00 0.00 H new ATOM 0 HG21 THR A 47 -13.203 8.852 7.764 1.00 0.00 H new ATOM 0 HG22 THR A 47 -12.857 8.264 6.121 1.00 0.00 H new ATOM 0 HG23 THR A 47 -13.447 9.925 6.366 1.00 0.00 H new ATOM 790 N HIS A 48 -13.704 7.358 3.877 1.00 0.00 N ATOM 791 CA HIS A 48 -13.065 6.276 3.134 1.00 0.00 C ATOM 792 C HIS A 48 -12.088 5.521 4.030 1.00 0.00 C ATOM 793 O HIS A 48 -11.320 6.131 4.775 1.00 0.00 O ATOM 794 CB HIS A 48 -12.332 6.830 1.910 1.00 0.00 C ATOM 795 CG HIS A 48 -13.241 7.481 0.915 1.00 0.00 C ATOM 796 ND1 HIS A 48 -13.098 7.328 -0.448 1.00 0.00 N ATOM 797 CD2 HIS A 48 -14.314 8.289 1.089 1.00 0.00 C ATOM 798 CE1 HIS A 48 -14.041 8.014 -1.069 1.00 0.00 C ATOM 799 NE2 HIS A 48 -14.792 8.606 -0.159 1.00 0.00 N ATOM 0 H HIS A 48 -13.138 8.203 3.961 1.00 0.00 H new ATOM 0 HA HIS A 48 -13.839 5.586 2.797 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -11.588 7.555 2.239 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -11.792 6.019 1.421 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -14.718 8.622 2.033 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -14.175 8.079 -2.139 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -15.597 9.202 -0.351 1.00 0.00 H new ATOM 808 N THR A 49 -12.125 4.193 3.964 1.00 0.00 N ATOM 809 CA THR A 49 -11.241 3.370 4.786 1.00 0.00 C ATOM 810 C THR A 49 -10.528 2.311 3.952 1.00 0.00 C ATOM 811 O THR A 49 -11.118 1.703 3.062 1.00 0.00 O ATOM 812 CB THR A 49 -12.036 2.700 5.907 1.00 0.00 C ATOM 813 OG1 THR A 49 -12.725 3.667 6.680 1.00 0.00 O ATOM 814 CG2 THR A 49 -11.174 1.888 6.849 1.00 0.00 C ATOM 0 H THR A 49 -12.752 3.667 3.355 1.00 0.00 H new ATOM 0 HA THR A 49 -10.485 4.025 5.219 1.00 0.00 H new ATOM 0 HB THR A 49 -12.731 2.027 5.406 1.00 0.00 H new ATOM 0 HG1 THR A 49 -13.229 3.219 7.391 1.00 0.00 H new ATOM 0 HG21 THR A 49 -11.800 1.440 7.620 1.00 0.00 H new ATOM 0 HG22 THR A 49 -10.667 1.101 6.291 1.00 0.00 H new ATOM 0 HG23 THR A 49 -10.433 2.537 7.315 1.00 0.00 H new ATOM 822 N SER A 50 -9.252 2.092 4.259 1.00 0.00 N ATOM 823 CA SER A 50 -8.450 1.102 3.547 1.00 0.00 C ATOM 824 C SER A 50 -7.555 0.330 4.512 1.00 0.00 C ATOM 825 O SER A 50 -7.097 0.869 5.518 1.00 0.00 O ATOM 826 CB SER A 50 -7.598 1.776 2.469 1.00 0.00 C ATOM 827 OG SER A 50 -6.828 0.822 1.758 1.00 0.00 O ATOM 0 H SER A 50 -8.751 2.587 4.997 1.00 0.00 H new ATOM 0 HA SER A 50 -9.132 0.398 3.069 1.00 0.00 H new ATOM 0 HB2 SER A 50 -8.243 2.317 1.776 1.00 0.00 H new ATOM 0 HB3 SER A 50 -6.938 2.511 2.929 1.00 0.00 H new ATOM 0 HG SER A 50 -7.407 0.088 1.463 1.00 0.00 H new ATOM 833 N ASP A 51 -7.312 -0.938 4.194 1.00 0.00 N ATOM 834 CA ASP A 51 -6.473 -1.790 5.028 1.00 0.00 C ATOM 835 C ASP A 51 -5.364 -2.432 4.199 1.00 0.00 C ATOM 836 O ASP A 51 -5.553 -2.723 3.018 1.00 0.00 O ATOM 837 CB ASP A 51 -7.321 -2.873 5.702 1.00 0.00 C ATOM 838 CG ASP A 51 -7.857 -3.894 4.714 1.00 0.00 C ATOM 839 OD1 ASP A 51 -7.841 -3.609 3.499 1.00 0.00 O ATOM 840 OD2 ASP A 51 -8.290 -4.978 5.157 1.00 0.00 O ATOM 0 H ASP A 51 -7.685 -1.398 3.364 1.00 0.00 H new ATOM 0 HA ASP A 51 -6.014 -1.170 5.798 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -6.721 -3.383 6.456 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -8.156 -2.404 6.223 1.00 0.00 H new ATOM 845 N ALA A 52 -4.206 -2.649 4.818 1.00 0.00 N ATOM 846 CA ALA A 52 -3.079 -3.256 4.121 1.00 0.00 C ATOM 847 C ALA A 52 -2.304 -4.208 5.027 1.00 0.00 C ATOM 848 O ALA A 52 -1.630 -3.783 5.967 1.00 0.00 O ATOM 849 CB ALA A 52 -2.159 -2.177 3.571 1.00 0.00 C ATOM 0 H ALA A 52 -4.026 -2.415 5.794 1.00 0.00 H new ATOM 0 HA ALA A 52 -3.475 -3.842 3.292 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.321 -2.643 3.053 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.712 -1.548 2.874 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.783 -1.566 4.392 1.00 0.00 H new ATOM 855 N THR A 53 -2.408 -5.499 4.732 1.00 0.00 N ATOM 856 CA THR A 53 -1.721 -6.525 5.509 1.00 0.00 C ATOM 857 C THR A 53 -0.568 -7.127 4.712 1.00 0.00 C ATOM 858 O THR A 53 -0.784 -7.819 3.717 1.00 0.00 O ATOM 859 CB THR A 53 -2.702 -7.625 5.919 1.00 0.00 C ATOM 860 OG1 THR A 53 -3.823 -7.074 6.587 1.00 0.00 O ATOM 861 CG2 THR A 53 -2.089 -8.665 6.831 1.00 0.00 C ATOM 0 H THR A 53 -2.964 -5.861 3.957 1.00 0.00 H new ATOM 0 HA THR A 53 -1.315 -6.057 6.406 1.00 0.00 H new ATOM 0 HB THR A 53 -2.996 -8.110 4.988 1.00 0.00 H new ATOM 0 HG1 THR A 53 -3.558 -6.250 7.046 1.00 0.00 H new ATOM 0 HG21 THR A 53 -2.839 -9.415 7.083 1.00 0.00 H new ATOM 0 HG22 THR A 53 -1.252 -9.145 6.325 1.00 0.00 H new ATOM 0 HG23 THR A 53 -1.735 -8.185 7.743 1.00 0.00 H new ATOM 869 N LEU A 54 0.657 -6.851 5.150 1.00 0.00 N ATOM 870 CA LEU A 54 1.844 -7.360 4.471 1.00 0.00 C ATOM 871 C LEU A 54 2.414 -8.580 5.191 1.00 0.00 C ATOM 872 O LEU A 54 2.362 -8.673 6.418 1.00 0.00 O ATOM 873 CB LEU A 54 2.908 -6.266 4.375 1.00 0.00 C ATOM 874 CG LEU A 54 2.658 -5.211 3.296 1.00 0.00 C ATOM 875 CD1 LEU A 54 1.262 -4.622 3.436 1.00 0.00 C ATOM 876 CD2 LEU A 54 3.711 -4.114 3.368 1.00 0.00 C ATOM 0 H LEU A 54 0.853 -6.278 5.971 1.00 0.00 H new ATOM 0 HA LEU A 54 1.550 -7.665 3.467 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.981 -5.766 5.341 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.873 -6.735 4.186 1.00 0.00 H new ATOM 0 HG LEU A 54 2.730 -5.693 2.321 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.103 -3.874 2.660 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.521 -5.414 3.333 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.161 -4.155 4.416 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.517 -3.372 2.593 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.671 -3.635 4.346 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.699 -4.548 3.216 1.00 0.00 H new ATOM 888 N HIS A 55 2.960 -9.509 4.413 1.00 0.00 N ATOM 889 CA HIS A 55 3.546 -10.726 4.965 1.00 0.00 C ATOM 890 C HIS A 55 5.064 -10.605 5.057 1.00 0.00 C ATOM 891 O HIS A 55 5.717 -10.132 4.128 1.00 0.00 O ATOM 892 CB HIS A 55 3.172 -11.934 4.105 1.00 0.00 C ATOM 893 CG HIS A 55 1.847 -12.533 4.461 1.00 0.00 C ATOM 894 ND1 HIS A 55 1.707 -13.821 4.936 1.00 0.00 N ATOM 895 CD2 HIS A 55 0.598 -12.014 4.411 1.00 0.00 C ATOM 896 CE1 HIS A 55 0.428 -14.068 5.161 1.00 0.00 C ATOM 897 NE2 HIS A 55 -0.265 -12.988 4.851 1.00 0.00 N ATOM 0 H HIS A 55 3.009 -9.442 3.396 1.00 0.00 H new ATOM 0 HA HIS A 55 3.148 -10.867 5.970 1.00 0.00 H new ATOM 0 HB2 HIS A 55 3.156 -11.633 3.057 1.00 0.00 H new ATOM 0 HB3 HIS A 55 3.945 -12.696 4.206 1.00 0.00 H new ATOM 0 HD1 HIS A 55 2.471 -14.479 5.089 1.00 0.00 H new ATOM 0 HD2 HIS A 55 0.330 -11.020 4.086 1.00 0.00 H new ATOM 0 HE1 HIS A 55 0.020 -14.995 5.535 1.00 0.00 H new ATOM 906 N VAL A 56 5.618 -11.035 6.186 1.00 0.00 N ATOM 907 CA VAL A 56 7.057 -10.976 6.403 1.00 0.00 C ATOM 908 C VAL A 56 7.582 -12.295 6.959 1.00 0.00 C ATOM 909 O VAL A 56 6.866 -13.015 7.654 1.00 0.00 O ATOM 910 CB VAL A 56 7.434 -9.836 7.371 1.00 0.00 C ATOM 911 CG1 VAL A 56 8.937 -9.595 7.358 1.00 0.00 C ATOM 912 CG2 VAL A 56 6.681 -8.563 7.018 1.00 0.00 C ATOM 0 H VAL A 56 5.090 -11.429 6.965 1.00 0.00 H new ATOM 0 HA VAL A 56 7.516 -10.785 5.433 1.00 0.00 H new ATOM 0 HB VAL A 56 7.146 -10.134 8.379 1.00 0.00 H new ATOM 0 HG11 VAL A 56 9.182 -8.787 8.047 1.00 0.00 H new ATOM 0 HG12 VAL A 56 9.454 -10.504 7.666 1.00 0.00 H new ATOM 0 HG13 VAL A 56 9.253 -9.321 6.351 1.00 0.00 H new ATOM 0 HG21 VAL A 56 6.961 -7.771 7.712 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.934 -8.261 6.002 1.00 0.00 H new ATOM 0 HG23 VAL A 56 5.608 -8.744 7.087 1.00 0.00 H new ATOM 922 N ASN A 57 8.836 -12.606 6.654 1.00 0.00 N ATOM 923 CA ASN A 57 9.452 -13.839 7.128 1.00 0.00 C ATOM 924 C ASN A 57 9.572 -13.831 8.649 1.00 0.00 C ATOM 925 O ASN A 57 10.442 -13.165 9.209 1.00 0.00 O ATOM 926 CB ASN A 57 10.833 -14.021 6.497 1.00 0.00 C ATOM 927 CG ASN A 57 10.771 -14.083 4.982 1.00 0.00 C ATOM 928 OD1 ASN A 57 10.009 -13.351 4.350 1.00 0.00 O ATOM 929 ND2 ASN A 57 11.576 -14.961 4.392 1.00 0.00 N ATOM 0 H ASN A 57 9.446 -12.022 6.081 1.00 0.00 H new ATOM 0 HA ASN A 57 8.815 -14.673 6.833 1.00 0.00 H new ATOM 0 HB2 ASN A 57 11.479 -13.196 6.798 1.00 0.00 H new ATOM 0 HB3 ASN A 57 11.286 -14.936 6.878 1.00 0.00 H new ATOM 0 HD21 ASN A 57 11.578 -15.048 3.376 1.00 0.00 H new ATOM 0 HD22 ASN A 57 12.191 -15.548 4.956 1.00 0.00 H new ATOM 936 N GLY A 58 8.693 -14.576 9.312 1.00 0.00 N ATOM 937 CA GLY A 58 8.721 -14.641 10.762 1.00 0.00 C ATOM 938 C GLY A 58 7.600 -13.849 11.410 1.00 0.00 C ATOM 939 O GLY A 58 7.266 -14.080 12.572 1.00 0.00 O ATOM 0 H GLY A 58 7.963 -15.135 8.872 1.00 0.00 H new ATOM 0 HA2 GLY A 58 8.652 -15.683 11.075 1.00 0.00 H new ATOM 0 HA3 GLY A 58 9.679 -14.264 11.119 1.00 0.00 H new ATOM 943 N GLY A 59 7.020 -12.913 10.664 1.00 0.00 N ATOM 944 CA GLY A 59 5.939 -12.105 11.202 1.00 0.00 C ATOM 945 C GLY A 59 5.070 -11.493 10.121 1.00 0.00 C ATOM 946 O GLY A 59 5.420 -11.523 8.942 1.00 0.00 O ATOM 0 H GLY A 59 7.278 -12.700 9.700 1.00 0.00 H new ATOM 0 HA2 GLY A 59 5.320 -12.722 11.854 1.00 0.00 H new ATOM 0 HA3 GLY A 59 6.358 -11.310 11.819 1.00 0.00 H new ATOM 950 N GLU A 60 3.935 -10.933 10.526 1.00 0.00 N ATOM 951 CA GLU A 60 3.011 -10.306 9.586 1.00 0.00 C ATOM 952 C GLU A 60 2.435 -9.021 10.172 1.00 0.00 C ATOM 953 O GLU A 60 1.965 -9.004 11.310 1.00 0.00 O ATOM 954 CB GLU A 60 1.880 -11.273 9.230 1.00 0.00 C ATOM 955 CG GLU A 60 2.352 -12.521 8.502 1.00 0.00 C ATOM 956 CD GLU A 60 1.456 -13.718 8.756 1.00 0.00 C ATOM 957 OE1 GLU A 60 0.245 -13.516 8.980 1.00 0.00 O ATOM 958 OE2 GLU A 60 1.968 -14.857 8.731 1.00 0.00 O ATOM 0 H GLU A 60 3.632 -10.900 11.499 1.00 0.00 H new ATOM 0 HA GLU A 60 3.562 -10.056 8.679 1.00 0.00 H new ATOM 0 HB2 GLU A 60 1.365 -11.569 10.144 1.00 0.00 H new ATOM 0 HB3 GLU A 60 1.151 -10.753 8.608 1.00 0.00 H new ATOM 0 HG2 GLU A 60 2.389 -12.320 7.431 1.00 0.00 H new ATOM 0 HG3 GLU A 60 3.368 -12.759 8.817 1.00 0.00 H new ATOM 965 N ILE A 61 2.477 -7.946 9.392 1.00 0.00 N ATOM 966 CA ILE A 61 1.962 -6.658 9.843 1.00 0.00 C ATOM 967 C ILE A 61 0.595 -6.366 9.235 1.00 0.00 C ATOM 968 O ILE A 61 0.355 -6.641 8.060 1.00 0.00 O ATOM 969 CB ILE A 61 2.926 -5.511 9.482 1.00 0.00 C ATOM 970 CG1 ILE A 61 4.358 -5.873 9.879 1.00 0.00 C ATOM 971 CG2 ILE A 61 2.492 -4.219 10.160 1.00 0.00 C ATOM 972 CD1 ILE A 61 5.198 -6.371 8.724 1.00 0.00 C ATOM 0 H ILE A 61 2.861 -7.941 8.447 1.00 0.00 H new ATOM 0 HA ILE A 61 1.868 -6.719 10.927 1.00 0.00 H new ATOM 0 HB ILE A 61 2.897 -5.359 8.403 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.838 -4.997 10.315 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.329 -6.639 10.653 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.183 -3.419 9.895 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.487 -3.955 9.830 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.494 -4.357 11.241 1.00 0.00 H new ATOM 0 HD11 ILE A 61 6.201 -6.609 9.079 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.741 -7.266 8.301 1.00 0.00 H new ATOM 0 HD13 ILE A 61 5.258 -5.598 7.958 1.00 0.00 H new ATOM 984 N HIS A 62 -0.296 -5.799 10.042 1.00 0.00 N ATOM 985 CA HIS A 62 -1.638 -5.458 9.588 1.00 0.00 C ATOM 986 C HIS A 62 -2.007 -4.042 10.021 1.00 0.00 C ATOM 987 O HIS A 62 -2.172 -3.774 11.211 1.00 0.00 O ATOM 988 CB HIS A 62 -2.657 -6.456 10.139 1.00 0.00 C ATOM 989 CG HIS A 62 -4.041 -6.258 9.605 1.00 0.00 C ATOM 990 ND1 HIS A 62 -4.547 -5.302 8.789 1.00 0.00 N flip ATOM 991 CD2 HIS A 62 -5.091 -7.102 9.900 1.00 0.00 C flip ATOM 992 CE1 HIS A 62 -5.879 -5.585 8.609 1.00 0.00 C flip ATOM 993 NE2 HIS A 62 -6.181 -6.676 9.289 1.00 0.00 N flip ATOM 0 H HIS A 62 -0.111 -5.566 11.018 1.00 0.00 H new ATOM 0 HA HIS A 62 -1.652 -5.505 8.499 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -2.327 -7.467 9.902 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -2.681 -6.375 11.226 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -5.031 -7.975 10.532 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -6.568 -5.009 8.009 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -7.101 -7.115 9.334 1.00 0.00 H new ATOM 1002 N ALA A 63 -2.134 -3.138 9.055 1.00 0.00 N ATOM 1003 CA ALA A 63 -2.481 -1.754 9.351 1.00 0.00 C ATOM 1004 C ALA A 63 -3.673 -1.291 8.521 1.00 0.00 C ATOM 1005 O ALA A 63 -3.912 -1.796 7.423 1.00 0.00 O ATOM 1006 CB ALA A 63 -1.284 -0.846 9.107 1.00 0.00 C ATOM 0 H ALA A 63 -2.002 -3.339 8.064 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.762 -1.697 10.403 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -1.557 0.185 9.332 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.459 -1.151 9.750 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.977 -0.921 8.064 1.00 0.00 H new ATOM 1012 N SER A 64 -4.408 -0.314 9.043 1.00 0.00 N ATOM 1013 CA SER A 64 -5.566 0.239 8.352 1.00 0.00 C ATOM 1014 C SER A 64 -5.630 1.744 8.580 1.00 0.00 C ATOM 1015 O SER A 64 -5.598 2.204 9.721 1.00 0.00 O ATOM 1016 CB SER A 64 -6.854 -0.425 8.844 1.00 0.00 C ATOM 1017 OG SER A 64 -7.039 -0.211 10.233 1.00 0.00 O ATOM 0 H SER A 64 -4.219 0.113 9.950 1.00 0.00 H new ATOM 0 HA SER A 64 -5.465 0.042 7.285 1.00 0.00 H new ATOM 0 HB2 SER A 64 -7.706 -0.025 8.294 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.817 -1.495 8.639 1.00 0.00 H new ATOM 0 HG SER A 64 -6.519 0.570 10.516 1.00 0.00 H new ATOM 1023 N ALA A 65 -5.707 2.514 7.500 1.00 0.00 N ATOM 1024 CA ALA A 65 -5.757 3.968 7.618 1.00 0.00 C ATOM 1025 C ALA A 65 -6.875 4.575 6.778 1.00 0.00 C ATOM 1026 O ALA A 65 -7.484 3.901 5.946 1.00 0.00 O ATOM 1027 CB ALA A 65 -4.417 4.571 7.225 1.00 0.00 C ATOM 0 H ALA A 65 -5.736 2.162 6.543 1.00 0.00 H new ATOM 0 HA ALA A 65 -5.970 4.204 8.661 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.465 5.656 7.317 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.638 4.186 7.883 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.186 4.304 6.194 1.00 0.00 H new ATOM 1033 N GLU A 66 -7.125 5.860 7.005 1.00 0.00 N ATOM 1034 CA GLU A 66 -8.156 6.591 6.280 1.00 0.00 C ATOM 1035 C GLU A 66 -7.686 8.011 5.984 1.00 0.00 C ATOM 1036 O GLU A 66 -6.730 8.493 6.592 1.00 0.00 O ATOM 1037 CB GLU A 66 -9.455 6.628 7.089 1.00 0.00 C ATOM 1038 CG GLU A 66 -10.054 5.254 7.344 1.00 0.00 C ATOM 1039 CD GLU A 66 -10.354 5.012 8.811 1.00 0.00 C ATOM 1040 OE1 GLU A 66 -11.319 5.613 9.327 1.00 0.00 O ATOM 1041 OE2 GLU A 66 -9.623 4.220 9.444 1.00 0.00 O ATOM 0 H GLU A 66 -6.622 6.421 7.693 1.00 0.00 H new ATOM 0 HA GLU A 66 -8.345 6.077 5.338 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.264 7.115 8.045 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -10.185 7.241 6.560 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -10.973 5.149 6.767 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -9.364 4.489 6.987 1.00 0.00 H new ATOM 1048 N GLY A 67 -8.353 8.679 5.049 1.00 0.00 N ATOM 1049 CA GLY A 67 -7.967 10.033 4.700 1.00 0.00 C ATOM 1050 C GLY A 67 -9.134 10.885 4.244 1.00 0.00 C ATOM 1051 O GLY A 67 -9.538 11.819 4.936 1.00 0.00 O ATOM 0 H GLY A 67 -9.149 8.310 4.529 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -7.496 10.504 5.563 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.219 9.998 3.908 1.00 0.00 H new ATOM 1055 N GLN A 68 -9.675 10.566 3.071 1.00 0.00 N ATOM 1056 CA GLN A 68 -10.799 11.318 2.519 1.00 0.00 C ATOM 1057 C GLN A 68 -11.267 10.747 1.179 1.00 0.00 C ATOM 1058 O GLN A 68 -12.406 10.974 0.770 1.00 0.00 O ATOM 1059 CB GLN A 68 -10.418 12.790 2.344 1.00 0.00 C ATOM 1060 CG GLN A 68 -11.546 13.653 1.806 1.00 0.00 C ATOM 1061 CD GLN A 68 -11.078 15.036 1.393 1.00 0.00 C ATOM 1062 OE1 GLN A 68 -9.993 15.195 0.835 1.00 0.00 O ATOM 1063 NE2 GLN A 68 -11.897 16.044 1.667 1.00 0.00 N ATOM 0 H GLN A 68 -9.355 9.794 2.486 1.00 0.00 H new ATOM 0 HA GLN A 68 -11.623 11.233 3.227 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -10.094 13.189 3.305 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -9.566 12.858 1.667 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -12.001 13.157 0.949 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -12.320 13.748 2.567 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -12.788 15.866 2.131 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -11.636 16.997 1.413 1.00 0.00 H new ATOM 1072 N ASP A 69 -10.397 10.005 0.497 1.00 0.00 N ATOM 1073 CA ASP A 69 -10.746 9.412 -0.788 1.00 0.00 C ATOM 1074 C ASP A 69 -10.052 8.067 -0.968 1.00 0.00 C ATOM 1075 O ASP A 69 -9.265 7.645 -0.121 1.00 0.00 O ATOM 1076 CB ASP A 69 -10.364 10.355 -1.933 1.00 0.00 C ATOM 1077 CG ASP A 69 -8.991 10.973 -1.745 1.00 0.00 C ATOM 1078 OD1 ASP A 69 -7.999 10.358 -2.189 1.00 0.00 O ATOM 1079 OD2 ASP A 69 -8.909 12.070 -1.154 1.00 0.00 O ATOM 0 H ASP A 69 -9.449 9.802 0.813 1.00 0.00 H new ATOM 0 HA ASP A 69 -11.824 9.252 -0.806 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -10.385 9.806 -2.874 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -11.108 11.148 -2.010 1.00 0.00 H new ATOM 1084 N MET A 70 -10.350 7.394 -2.074 1.00 0.00 N ATOM 1085 CA MET A 70 -9.756 6.094 -2.363 1.00 0.00 C ATOM 1086 C MET A 70 -8.239 6.196 -2.508 1.00 0.00 C ATOM 1087 O MET A 70 -7.526 5.204 -2.352 1.00 0.00 O ATOM 1088 CB MET A 70 -10.362 5.509 -3.640 1.00 0.00 C ATOM 1089 CG MET A 70 -9.932 4.077 -3.918 1.00 0.00 C ATOM 1090 SD MET A 70 -11.162 2.869 -3.388 1.00 0.00 S ATOM 1091 CE MET A 70 -11.253 1.820 -4.837 1.00 0.00 C ATOM 0 H MET A 70 -11.000 7.728 -2.786 1.00 0.00 H new ATOM 0 HA MET A 70 -9.974 5.433 -1.524 1.00 0.00 H new ATOM 0 HB2 MET A 70 -11.449 5.545 -3.566 1.00 0.00 H new ATOM 0 HB3 MET A 70 -10.079 6.135 -4.486 1.00 0.00 H new ATOM 0 HG2 MET A 70 -9.747 3.958 -4.986 1.00 0.00 H new ATOM 0 HG3 MET A 70 -8.990 3.879 -3.407 1.00 0.00 H new ATOM 0 HE1 MET A 70 -11.907 0.973 -4.632 1.00 0.00 H new ATOM 0 HE2 MET A 70 -11.651 2.391 -5.675 1.00 0.00 H new ATOM 0 HE3 MET A 70 -10.256 1.457 -5.086 1.00 0.00 H new ATOM 1101 N TYR A 71 -7.749 7.396 -2.804 1.00 0.00 N ATOM 1102 CA TYR A 71 -6.317 7.618 -2.968 1.00 0.00 C ATOM 1103 C TYR A 71 -5.669 8.021 -1.646 1.00 0.00 C ATOM 1104 O TYR A 71 -4.545 7.617 -1.344 1.00 0.00 O ATOM 1105 CB TYR A 71 -6.062 8.695 -4.022 1.00 0.00 C ATOM 1106 CG TYR A 71 -6.346 8.240 -5.435 1.00 0.00 C ATOM 1107 CD1 TYR A 71 -5.878 7.015 -5.898 1.00 0.00 C ATOM 1108 CD2 TYR A 71 -7.079 9.032 -6.308 1.00 0.00 C ATOM 1109 CE1 TYR A 71 -6.135 6.594 -7.188 1.00 0.00 C ATOM 1110 CE2 TYR A 71 -7.340 8.619 -7.601 1.00 0.00 C ATOM 1111 CZ TYR A 71 -6.867 7.400 -8.036 1.00 0.00 C ATOM 1112 OH TYR A 71 -7.124 6.985 -9.322 1.00 0.00 O ATOM 0 H TYR A 71 -8.323 8.229 -2.935 1.00 0.00 H new ATOM 0 HA TYR A 71 -5.869 6.681 -3.299 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -6.681 9.564 -3.798 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -5.023 9.018 -3.955 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -5.304 6.382 -5.238 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -7.452 9.988 -5.971 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -5.765 5.639 -7.531 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -7.912 9.248 -8.267 1.00 0.00 H new ATOM 0 HH TYR A 71 -7.652 7.668 -9.787 1.00 0.00 H new ATOM 1122 N ALA A 72 -6.382 8.823 -0.862 1.00 0.00 N ATOM 1123 CA ALA A 72 -5.875 9.288 0.423 1.00 0.00 C ATOM 1124 C ALA A 72 -5.665 8.126 1.388 1.00 0.00 C ATOM 1125 O ALA A 72 -4.612 8.011 2.014 1.00 0.00 O ATOM 1126 CB ALA A 72 -6.826 10.311 1.025 1.00 0.00 C ATOM 0 H ALA A 72 -7.314 9.165 -1.095 1.00 0.00 H new ATOM 0 HA ALA A 72 -4.908 9.761 0.253 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.436 10.650 1.985 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -6.920 11.162 0.350 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -7.805 9.855 1.172 1.00 0.00 H new ATOM 1132 N ALA A 73 -6.674 7.268 1.506 1.00 0.00 N ATOM 1133 CA ALA A 73 -6.599 6.116 2.399 1.00 0.00 C ATOM 1134 C ALA A 73 -5.342 5.292 2.137 1.00 0.00 C ATOM 1135 O ALA A 73 -4.778 4.694 3.052 1.00 0.00 O ATOM 1136 CB ALA A 73 -7.840 5.249 2.246 1.00 0.00 C ATOM 0 H ALA A 73 -7.553 7.349 0.995 1.00 0.00 H new ATOM 0 HA ALA A 73 -6.549 6.487 3.423 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -7.771 4.393 2.918 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -8.726 5.834 2.494 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -7.914 4.897 1.217 1.00 0.00 H new ATOM 1142 N ILE A 74 -4.908 5.269 0.881 1.00 0.00 N ATOM 1143 CA ILE A 74 -3.718 4.521 0.498 1.00 0.00 C ATOM 1144 C ILE A 74 -2.449 5.288 0.855 1.00 0.00 C ATOM 1145 O ILE A 74 -1.414 4.691 1.151 1.00 0.00 O ATOM 1146 CB ILE A 74 -3.709 4.212 -1.011 1.00 0.00 C ATOM 1147 CG1 ILE A 74 -5.053 3.622 -1.441 1.00 0.00 C ATOM 1148 CG2 ILE A 74 -2.572 3.258 -1.350 1.00 0.00 C ATOM 1149 CD1 ILE A 74 -5.359 2.283 -0.803 1.00 0.00 C ATOM 0 H ILE A 74 -5.363 5.760 0.112 1.00 0.00 H new ATOM 0 HA ILE A 74 -3.742 3.583 1.053 1.00 0.00 H new ATOM 0 HB ILE A 74 -3.551 5.142 -1.556 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -5.847 4.325 -1.188 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -5.061 3.509 -2.525 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -2.579 3.049 -2.420 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.621 3.714 -1.075 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -2.701 2.327 -0.798 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -6.327 1.926 -1.154 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -4.586 1.565 -1.076 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -5.384 2.394 0.281 1.00 0.00 H new ATOM 1161 N ASP A 75 -2.534 6.613 0.823 1.00 0.00 N ATOM 1162 CA ASP A 75 -1.391 7.460 1.143 1.00 0.00 C ATOM 1163 C ASP A 75 -1.002 7.325 2.614 1.00 0.00 C ATOM 1164 O ASP A 75 0.136 6.981 2.938 1.00 0.00 O ATOM 1165 CB ASP A 75 -1.707 8.921 0.814 1.00 0.00 C ATOM 1166 CG ASP A 75 -0.777 9.493 -0.237 1.00 0.00 C ATOM 1167 OD1 ASP A 75 0.416 9.122 -0.239 1.00 0.00 O ATOM 1168 OD2 ASP A 75 -1.241 10.310 -1.060 1.00 0.00 O ATOM 0 H ASP A 75 -3.382 7.124 0.579 1.00 0.00 H new ATOM 0 HA ASP A 75 -0.547 7.133 0.536 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -2.736 8.997 0.464 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -1.635 9.519 1.723 1.00 0.00 H new ATOM 1173 N GLY A 76 -1.954 7.597 3.500 1.00 0.00 N ATOM 1174 CA GLY A 76 -1.693 7.499 4.924 1.00 0.00 C ATOM 1175 C GLY A 76 -1.448 6.073 5.373 1.00 0.00 C ATOM 1176 O GLY A 76 -0.603 5.820 6.233 1.00 0.00 O ATOM 0 H GLY A 76 -2.902 7.884 3.257 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.825 8.109 5.174 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -2.540 7.909 5.474 1.00 0.00 H new ATOM 1180 N LEU A 77 -2.188 5.137 4.790 1.00 0.00 N ATOM 1181 CA LEU A 77 -2.050 3.727 5.133 1.00 0.00 C ATOM 1182 C LEU A 77 -0.700 3.184 4.679 1.00 0.00 C ATOM 1183 O LEU A 77 0.003 2.523 5.442 1.00 0.00 O ATOM 1184 CB LEU A 77 -3.183 2.915 4.495 1.00 0.00 C ATOM 1185 CG LEU A 77 -3.062 1.396 4.646 1.00 0.00 C ATOM 1186 CD1 LEU A 77 -2.789 1.021 6.093 1.00 0.00 C ATOM 1187 CD2 LEU A 77 -4.324 0.711 4.143 1.00 0.00 C ATOM 0 H LEU A 77 -2.891 5.330 4.076 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.109 3.634 6.217 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.128 3.233 4.934 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.228 3.156 3.433 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.221 1.056 4.042 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.707 -0.062 6.179 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.857 1.483 6.419 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -3.607 1.373 6.721 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.222 -0.368 4.257 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -5.181 1.058 4.720 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.474 0.952 3.091 1.00 0.00 H new ATOM 1199 N ILE A 78 -0.339 3.478 3.436 1.00 0.00 N ATOM 1200 CA ILE A 78 0.932 3.023 2.883 1.00 0.00 C ATOM 1201 C ILE A 78 2.106 3.777 3.505 1.00 0.00 C ATOM 1202 O ILE A 78 3.257 3.350 3.396 1.00 0.00 O ATOM 1203 CB ILE A 78 0.969 3.187 1.348 1.00 0.00 C ATOM 1204 CG1 ILE A 78 -0.082 2.287 0.697 1.00 0.00 C ATOM 1205 CG2 ILE A 78 2.355 2.864 0.804 1.00 0.00 C ATOM 1206 CD1 ILE A 78 0.183 0.812 0.898 1.00 0.00 C ATOM 0 H ILE A 78 -0.907 4.029 2.792 1.00 0.00 H new ATOM 0 HA ILE A 78 1.023 1.964 3.124 1.00 0.00 H new ATOM 0 HB ILE A 78 0.742 4.225 1.106 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -1.062 2.531 1.106 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -0.120 2.499 -0.371 1.00 0.00 H new ATOM 0 HG21 ILE A 78 2.358 2.986 -0.279 1.00 0.00 H new ATOM 0 HG22 ILE A 78 3.086 3.540 1.247 1.00 0.00 H new ATOM 0 HG23 ILE A 78 2.613 1.835 1.054 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -0.601 0.232 0.411 1.00 0.00 H new ATOM 0 HD12 ILE A 78 1.149 0.553 0.464 1.00 0.00 H new ATOM 0 HD13 ILE A 78 0.192 0.586 1.964 1.00 0.00 H new ATOM 1218 N ASP A 79 1.812 4.888 4.174 1.00 0.00 N ATOM 1219 CA ASP A 79 2.850 5.676 4.823 1.00 0.00 C ATOM 1220 C ASP A 79 3.313 4.985 6.100 1.00 0.00 C ATOM 1221 O ASP A 79 4.506 4.751 6.298 1.00 0.00 O ATOM 1222 CB ASP A 79 2.336 7.082 5.139 1.00 0.00 C ATOM 1223 CG ASP A 79 2.785 8.106 4.116 1.00 0.00 C ATOM 1224 OD1 ASP A 79 2.542 7.885 2.910 1.00 0.00 O ATOM 1225 OD2 ASP A 79 3.378 9.129 4.519 1.00 0.00 O ATOM 0 H ASP A 79 0.868 5.260 4.280 1.00 0.00 H new ATOM 0 HA ASP A 79 3.697 5.762 4.142 1.00 0.00 H new ATOM 0 HB2 ASP A 79 1.247 7.067 5.180 1.00 0.00 H new ATOM 0 HB3 ASP A 79 2.688 7.381 6.126 1.00 0.00 H new ATOM 1230 N LYS A 80 2.356 4.656 6.962 1.00 0.00 N ATOM 1231 CA LYS A 80 2.657 3.984 8.219 1.00 0.00 C ATOM 1232 C LYS A 80 3.299 2.623 7.967 1.00 0.00 C ATOM 1233 O LYS A 80 4.214 2.216 8.685 1.00 0.00 O ATOM 1234 CB LYS A 80 1.384 3.813 9.050 1.00 0.00 C ATOM 1235 CG LYS A 80 0.654 5.118 9.322 1.00 0.00 C ATOM 1236 CD LYS A 80 -0.844 4.899 9.467 1.00 0.00 C ATOM 1237 CE LYS A 80 -1.627 6.165 9.158 1.00 0.00 C ATOM 1238 NZ LYS A 80 -2.115 6.834 10.396 1.00 0.00 N ATOM 0 H LYS A 80 1.365 4.845 6.812 1.00 0.00 H new ATOM 0 HA LYS A 80 3.363 4.603 8.773 1.00 0.00 H new ATOM 0 HB2 LYS A 80 0.710 3.131 8.531 1.00 0.00 H new ATOM 0 HB3 LYS A 80 1.641 3.345 10.000 1.00 0.00 H new ATOM 0 HG2 LYS A 80 1.046 5.573 10.232 1.00 0.00 H new ATOM 0 HG3 LYS A 80 0.843 5.818 8.509 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -1.162 4.101 8.796 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -1.068 4.571 10.482 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -0.995 6.855 8.598 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -2.476 5.920 8.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -2.644 7.693 10.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -2.738 6.186 10.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -1.304 7.091 10.994 1.00 0.00 H new ATOM 1252 N LEU A 81 2.819 1.926 6.941 1.00 0.00 N ATOM 1253 CA LEU A 81 3.356 0.612 6.601 1.00 0.00 C ATOM 1254 C LEU A 81 4.836 0.694 6.249 1.00 0.00 C ATOM 1255 O LEU A 81 5.634 -0.120 6.706 1.00 0.00 O ATOM 1256 CB LEU A 81 2.578 -0.010 5.443 1.00 0.00 C ATOM 1257 CG LEU A 81 1.337 -0.802 5.862 1.00 0.00 C ATOM 1258 CD1 LEU A 81 0.073 -0.132 5.352 1.00 0.00 C ATOM 1259 CD2 LEU A 81 1.422 -2.237 5.364 1.00 0.00 C ATOM 0 H LEU A 81 2.064 2.246 6.334 1.00 0.00 H new ATOM 0 HA LEU A 81 3.247 -0.023 7.480 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.273 0.783 4.760 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.244 -0.671 4.888 1.00 0.00 H new ATOM 0 HG LEU A 81 1.297 -0.820 6.951 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.796 -0.712 5.661 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.003 0.875 5.764 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.104 -0.077 4.264 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.530 -2.783 5.673 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.492 -2.241 4.276 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.305 -2.717 5.786 1.00 0.00 H new ATOM 1271 N ALA A 82 5.200 1.681 5.437 1.00 0.00 N ATOM 1272 CA ALA A 82 6.590 1.856 5.033 1.00 0.00 C ATOM 1273 C ALA A 82 7.495 2.057 6.247 1.00 0.00 C ATOM 1274 O ALA A 82 8.388 1.251 6.509 1.00 0.00 O ATOM 1275 CB ALA A 82 6.719 3.030 4.077 1.00 0.00 C ATOM 0 H ALA A 82 4.555 2.369 5.047 1.00 0.00 H new ATOM 0 HA ALA A 82 6.909 0.948 4.521 1.00 0.00 H new ATOM 0 HB1 ALA A 82 7.762 3.148 3.784 1.00 0.00 H new ATOM 0 HB2 ALA A 82 6.112 2.846 3.191 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.375 3.940 4.569 1.00 0.00 H new ATOM 1281 N ARG A 83 7.263 3.142 6.979 1.00 0.00 N ATOM 1282 CA ARG A 83 8.059 3.461 8.163 1.00 0.00 C ATOM 1283 C ARG A 83 8.135 2.280 9.129 1.00 0.00 C ATOM 1284 O ARG A 83 9.149 2.081 9.799 1.00 0.00 O ATOM 1285 CB ARG A 83 7.473 4.680 8.879 1.00 0.00 C ATOM 1286 CG ARG A 83 7.615 5.975 8.096 1.00 0.00 C ATOM 1287 CD ARG A 83 7.937 7.146 9.010 1.00 0.00 C ATOM 1288 NE ARG A 83 7.578 8.427 8.405 1.00 0.00 N ATOM 1289 CZ ARG A 83 7.558 9.580 9.069 1.00 0.00 C ATOM 1290 NH1 ARG A 83 7.877 9.617 10.358 1.00 0.00 N ATOM 1291 NH2 ARG A 83 7.221 10.700 8.444 1.00 0.00 N ATOM 0 H ARG A 83 6.528 3.818 6.773 1.00 0.00 H new ATOM 0 HA ARG A 83 9.072 3.686 7.828 1.00 0.00 H new ATOM 0 HB2 ARG A 83 6.417 4.500 9.078 1.00 0.00 H new ATOM 0 HB3 ARG A 83 7.965 4.794 9.845 1.00 0.00 H new ATOM 0 HG2 ARG A 83 8.403 5.866 7.351 1.00 0.00 H new ATOM 0 HG3 ARG A 83 6.691 6.178 7.555 1.00 0.00 H new ATOM 0 HD2 ARG A 83 7.403 7.028 9.953 1.00 0.00 H new ATOM 0 HD3 ARG A 83 9.002 7.141 9.244 1.00 0.00 H new ATOM 0 HE ARG A 83 7.328 8.438 7.416 1.00 0.00 H new ATOM 0 HH11 ARG A 83 8.139 8.759 10.843 1.00 0.00 H new ATOM 0 HH12 ARG A 83 7.860 10.503 10.862 1.00 0.00 H new ATOM 0 HH21 ARG A 83 6.977 10.678 7.454 1.00 0.00 H new ATOM 0 HH22 ARG A 83 7.206 11.584 8.953 1.00 0.00 H new ATOM 1305 N GLN A 84 7.061 1.501 9.202 1.00 0.00 N ATOM 1306 CA GLN A 84 7.016 0.346 10.093 1.00 0.00 C ATOM 1307 C GLN A 84 7.845 -0.807 9.538 1.00 0.00 C ATOM 1308 O GLN A 84 8.598 -1.454 10.267 1.00 0.00 O ATOM 1309 CB GLN A 84 5.568 -0.106 10.301 1.00 0.00 C ATOM 1310 CG GLN A 84 4.894 0.543 11.498 1.00 0.00 C ATOM 1311 CD GLN A 84 5.117 -0.231 12.783 1.00 0.00 C ATOM 1312 OE1 GLN A 84 5.587 0.320 13.778 1.00 0.00 O ATOM 1313 NE2 GLN A 84 4.779 -1.514 12.766 1.00 0.00 N ATOM 0 H GLN A 84 6.212 1.647 8.657 1.00 0.00 H new ATOM 0 HA GLN A 84 7.440 0.643 11.052 1.00 0.00 H new ATOM 0 HB2 GLN A 84 4.993 0.121 9.403 1.00 0.00 H new ATOM 0 HB3 GLN A 84 5.549 -1.189 10.426 1.00 0.00 H new ATOM 0 HG2 GLN A 84 5.274 1.557 11.619 1.00 0.00 H new ATOM 0 HG3 GLN A 84 3.824 0.624 11.308 1.00 0.00 H new ATOM 0 HE21 GLN A 84 4.393 -1.928 11.918 1.00 0.00 H new ATOM 0 HE22 GLN A 84 4.905 -2.086 13.601 1.00 0.00 H new ATOM 1322 N LEU A 85 7.701 -1.058 8.242 1.00 0.00 N ATOM 1323 CA LEU A 85 8.435 -2.132 7.583 1.00 0.00 C ATOM 1324 C LEU A 85 9.940 -1.923 7.708 1.00 0.00 C ATOM 1325 O LEU A 85 10.688 -2.866 7.963 1.00 0.00 O ATOM 1326 CB LEU A 85 8.036 -2.222 6.106 1.00 0.00 C ATOM 1327 CG LEU A 85 6.799 -3.077 5.798 1.00 0.00 C ATOM 1328 CD1 LEU A 85 7.212 -4.480 5.386 1.00 0.00 C ATOM 1329 CD2 LEU A 85 5.852 -3.132 6.990 1.00 0.00 C ATOM 0 H LEU A 85 7.082 -0.532 7.626 1.00 0.00 H new ATOM 0 HA LEU A 85 8.178 -3.069 8.077 1.00 0.00 H new ATOM 0 HB2 LEU A 85 7.858 -1.213 5.735 1.00 0.00 H new ATOM 0 HB3 LEU A 85 8.880 -2.623 5.545 1.00 0.00 H new ATOM 0 HG LEU A 85 6.268 -2.609 4.969 1.00 0.00 H new ATOM 0 HD11 LEU A 85 6.323 -5.073 5.171 1.00 0.00 H new ATOM 0 HD12 LEU A 85 7.837 -4.428 4.495 1.00 0.00 H new ATOM 0 HD13 LEU A 85 7.772 -4.947 6.196 1.00 0.00 H new ATOM 0 HD21 LEU A 85 4.986 -3.745 6.739 1.00 0.00 H new ATOM 0 HD22 LEU A 85 6.369 -3.567 7.846 1.00 0.00 H new ATOM 0 HD23 LEU A 85 5.522 -2.124 7.239 1.00 0.00 H new ATOM 1341 N THR A 86 10.377 -0.680 7.529 1.00 0.00 N ATOM 1342 CA THR A 86 11.793 -0.348 7.623 1.00 0.00 C ATOM 1343 C THR A 86 12.297 -0.512 9.055 1.00 0.00 C ATOM 1344 O THR A 86 13.407 -0.994 9.282 1.00 0.00 O ATOM 1345 CB THR A 86 12.038 1.087 7.141 1.00 0.00 C ATOM 1346 OG1 THR A 86 10.818 1.798 7.032 1.00 0.00 O ATOM 1347 CG2 THR A 86 12.733 1.154 5.798 1.00 0.00 C ATOM 0 H THR A 86 9.771 0.113 7.318 1.00 0.00 H new ATOM 0 HA THR A 86 12.345 -1.036 6.983 1.00 0.00 H new ATOM 0 HB THR A 86 12.687 1.537 7.892 1.00 0.00 H new ATOM 0 HG1 THR A 86 10.998 2.711 6.724 1.00 0.00 H new ATOM 0 HG21 THR A 86 12.877 2.197 5.514 1.00 0.00 H new ATOM 0 HG22 THR A 86 13.702 0.659 5.865 1.00 0.00 H new ATOM 0 HG23 THR A 86 12.122 0.654 5.047 1.00 0.00 H new ATOM 1355 N LYS A 87 11.475 -0.102 10.017 1.00 0.00 N ATOM 1356 CA LYS A 87 11.836 -0.199 11.427 1.00 0.00 C ATOM 1357 C LYS A 87 12.248 -1.624 11.798 1.00 0.00 C ATOM 1358 O LYS A 87 13.397 -1.871 12.164 1.00 0.00 O ATOM 1359 CB LYS A 87 10.667 0.251 12.306 1.00 0.00 C ATOM 1360 CG LYS A 87 10.808 1.672 12.824 1.00 0.00 C ATOM 1361 CD LYS A 87 9.452 2.344 12.986 1.00 0.00 C ATOM 1362 CE LYS A 87 9.598 3.809 13.361 1.00 0.00 C ATOM 1363 NZ LYS A 87 9.422 4.028 14.823 1.00 0.00 N ATOM 0 H LYS A 87 10.554 0.301 9.845 1.00 0.00 H new ATOM 0 HA LYS A 87 12.689 0.458 11.599 1.00 0.00 H new ATOM 0 HB2 LYS A 87 9.742 0.171 11.735 1.00 0.00 H new ATOM 0 HB3 LYS A 87 10.578 -0.429 13.153 1.00 0.00 H new ATOM 0 HG2 LYS A 87 11.327 1.661 13.783 1.00 0.00 H new ATOM 0 HG3 LYS A 87 11.423 2.252 12.136 1.00 0.00 H new ATOM 0 HD2 LYS A 87 8.890 2.260 12.056 1.00 0.00 H new ATOM 0 HD3 LYS A 87 8.878 1.826 13.754 1.00 0.00 H new ATOM 0 HE2 LYS A 87 10.582 4.165 13.056 1.00 0.00 H new ATOM 0 HE3 LYS A 87 8.862 4.399 12.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 9.529 5.040 15.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 8.474 3.712 15.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 10.140 3.486 15.344 1.00 0.00 H new ATOM 1377 N HIS A 88 11.303 -2.553 11.705 1.00 0.00 N ATOM 1378 CA HIS A 88 11.573 -3.948 12.037 1.00 0.00 C ATOM 1379 C HIS A 88 12.633 -4.539 11.110 1.00 0.00 C ATOM 1380 O HIS A 88 13.388 -5.430 11.501 1.00 0.00 O ATOM 1381 CB HIS A 88 10.279 -4.774 11.975 1.00 0.00 C ATOM 1382 CG HIS A 88 9.908 -5.236 10.597 1.00 0.00 C ATOM 1383 ND1 HIS A 88 10.504 -6.133 9.772 1.00 0.00 N flip ATOM 1384 CD2 HIS A 88 8.799 -4.775 9.919 1.00 0.00 C flip ATOM 1385 CE1 HIS A 88 9.750 -6.194 8.627 1.00 0.00 C flip ATOM 1386 NE2 HIS A 88 8.728 -5.367 8.739 1.00 0.00 N flip ATOM 0 H HIS A 88 10.346 -2.367 11.404 1.00 0.00 H new ATOM 0 HA HIS A 88 11.961 -3.985 13.055 1.00 0.00 H new ATOM 0 HB2 HIS A 88 10.386 -5.645 12.621 1.00 0.00 H new ATOM 0 HB3 HIS A 88 9.461 -4.177 12.378 1.00 0.00 H new ATOM 0 HD1 HIS A 88 11.354 -6.663 9.966 1.00 0.00 H new ATOM 0 HD2 HIS A 88 8.098 -4.044 10.294 1.00 0.00 H new ATOM 0 HE1 HIS A 88 9.960 -6.819 7.771 1.00 0.00 H new ATOM 1395 N LYS A 89 12.682 -4.039 9.879 1.00 0.00 N ATOM 1396 CA LYS A 89 13.650 -4.519 8.897 1.00 0.00 C ATOM 1397 C LYS A 89 15.071 -4.097 9.265 1.00 0.00 C ATOM 1398 O LYS A 89 16.043 -4.662 8.763 1.00 0.00 O ATOM 1399 CB LYS A 89 13.297 -4.001 7.503 1.00 0.00 C ATOM 1400 CG LYS A 89 12.317 -4.892 6.756 1.00 0.00 C ATOM 1401 CD LYS A 89 12.114 -4.421 5.325 1.00 0.00 C ATOM 1402 CE LYS A 89 11.849 -5.588 4.387 1.00 0.00 C ATOM 1403 NZ LYS A 89 10.408 -5.692 4.025 1.00 0.00 N ATOM 0 H LYS A 89 12.064 -3.303 9.538 1.00 0.00 H new ATOM 0 HA LYS A 89 13.608 -5.608 8.895 1.00 0.00 H new ATOM 0 HB2 LYS A 89 12.872 -3.001 7.592 1.00 0.00 H new ATOM 0 HB3 LYS A 89 14.211 -3.907 6.916 1.00 0.00 H new ATOM 0 HG2 LYS A 89 12.686 -5.918 6.754 1.00 0.00 H new ATOM 0 HG3 LYS A 89 11.360 -4.898 7.277 1.00 0.00 H new ATOM 0 HD2 LYS A 89 11.277 -3.724 5.286 1.00 0.00 H new ATOM 0 HD3 LYS A 89 12.998 -3.878 4.991 1.00 0.00 H new ATOM 0 HE2 LYS A 89 12.443 -5.468 3.481 1.00 0.00 H new ATOM 0 HE3 LYS A 89 12.173 -6.515 4.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 10.301 -6.321 3.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 9.875 -6.079 4.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 10.041 -4.748 3.788 1.00 0.00 H new ATOM 1417 N ASP A 90 15.189 -3.104 10.144 1.00 0.00 N ATOM 1418 CA ASP A 90 16.495 -2.620 10.571 1.00 0.00 C ATOM 1419 C ASP A 90 17.139 -3.601 11.547 1.00 0.00 C ATOM 1420 O ASP A 90 18.360 -3.757 11.572 1.00 0.00 O ATOM 1421 CB ASP A 90 16.365 -1.243 11.225 1.00 0.00 C ATOM 1422 CG ASP A 90 17.493 -0.309 10.834 1.00 0.00 C ATOM 1423 OD1 ASP A 90 17.866 -0.293 9.642 1.00 0.00 O ATOM 1424 OD2 ASP A 90 18.005 0.408 11.720 1.00 0.00 O ATOM 0 H ASP A 90 14.398 -2.622 10.572 1.00 0.00 H new ATOM 0 HA ASP A 90 17.132 -2.535 9.690 1.00 0.00 H new ATOM 0 HB2 ASP A 90 15.412 -0.797 10.940 1.00 0.00 H new ATOM 0 HB3 ASP A 90 16.351 -1.358 12.309 1.00 0.00 H new