USER MOD reduce.3.24.130724 H: found=0, std=0, add=761, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 758 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 40 SER OG : rot 33:sc= 1.3 USER MOD Set 1.2: A 44 SER OG : rot 56:sc= 0.18 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc=-0.00354 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 MET CE :methyl 180:sc= -1.23 (180deg=-1.23) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot -126:sc= 0.708 USER MOD Single : A 20 THR OG1 : rot -29:sc= 0.121 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -2.62! C(o=-2.6!,f=-2.6!) USER MOD Single : A 31 LYS NZ :NH3+ -126:sc= -0.0118 (180deg=-2.45!) USER MOD Single : A 33 THR OG1 : rot 165:sc= 0.0678 USER MOD Single : A 35 GLN : amide:sc= -3.2! C(o=-3.2!,f=-9.6!) USER MOD Single : A 38 TYR OH : rot 130:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -151:sc= -0.498 (180deg=-1.74!) USER MOD Single : A 42 ASN : amide:sc= -0.106 K(o=-0.11,f=-2.2!) USER MOD Single : A 43 ASN : amide:sc= -0.175 K(o=-0.17,f=-2.5!) USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 47 ASN : amide:sc= -0.063 K(o=-0.063,f=-1.2) USER MOD Single : A 60 CYS SG : rot -32:sc= 0.0101 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -1.67 K(o=-1.7,f=-2.5) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -2.29 K(o=-2.3,f=-5.9!) USER MOD Single : A 67 LYS NZ :NH3+ -138:sc= 0 (180deg=-1.06) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.138 K(o=-0.14,f=-2.6!) USER MOD Single : A 74 GLN : amide:sc= -0.509 K(o=-0.51,f=-1.6!) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 CYS SG : rot 164:sc= 0.712 USER MOD Single : A 87 CYS SG : rot 180:sc= -0.045 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 159:sc= -0.0975 (180deg=-0.504) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.490 -6.466 15.630 1.00 0.00 N ATOM 2 CA GLY A 1 -0.630 -6.962 16.408 1.00 0.00 C ATOM 3 C GLY A 1 -0.325 -8.281 17.089 1.00 0.00 C ATOM 4 O GLY A 1 0.715 -8.431 17.730 1.00 0.00 O ATOM 0 H1 GLY A 1 0.231 -5.563 15.185 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.309 -6.322 16.254 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.734 -7.158 14.893 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.901 -6.222 17.161 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.495 -7.085 15.756 1.00 0.00 H new ATOM 8 N SER A 2 -1.234 -9.241 16.950 1.00 0.00 N ATOM 9 CA SER A 2 -1.060 -10.553 17.562 1.00 0.00 C ATOM 10 C SER A 2 -0.716 -11.602 16.508 1.00 0.00 C ATOM 11 O SER A 2 0.200 -12.404 16.690 1.00 0.00 O ATOM 12 CB SER A 2 -2.330 -10.963 18.310 1.00 0.00 C ATOM 13 OG SER A 2 -2.105 -12.119 19.100 1.00 0.00 O ATOM 0 H SER A 2 -2.098 -9.135 16.419 1.00 0.00 H new ATOM 0 HA SER A 2 -0.234 -10.490 18.271 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.662 -10.143 18.946 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.130 -11.157 17.596 1.00 0.00 H new ATOM 0 HG SER A 2 -2.931 -12.360 19.569 1.00 0.00 H new ATOM 19 N SER A 3 -1.458 -11.589 15.405 1.00 0.00 N ATOM 20 CA SER A 3 -1.235 -12.540 14.323 1.00 0.00 C ATOM 21 C SER A 3 0.217 -12.503 13.857 1.00 0.00 C ATOM 22 O SER A 3 0.820 -11.436 13.752 1.00 0.00 O ATOM 23 CB SER A 3 -2.167 -12.236 13.148 1.00 0.00 C ATOM 24 OG SER A 3 -2.017 -13.196 12.117 1.00 0.00 O ATOM 0 H SER A 3 -2.219 -10.930 15.238 1.00 0.00 H new ATOM 0 HA SER A 3 -1.452 -13.539 14.701 1.00 0.00 H new ATOM 0 HB2 SER A 3 -3.201 -12.227 13.493 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.952 -11.241 12.757 1.00 0.00 H new ATOM 0 HG SER A 3 -2.624 -12.981 11.379 1.00 0.00 H new ATOM 30 N GLY A 4 0.773 -13.679 13.580 1.00 0.00 N ATOM 31 CA GLY A 4 2.150 -13.760 13.129 1.00 0.00 C ATOM 32 C GLY A 4 2.463 -15.081 12.456 1.00 0.00 C ATOM 33 O GLY A 4 3.456 -15.732 12.782 1.00 0.00 O ATOM 0 H GLY A 4 0.295 -14.576 13.660 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.350 -12.945 12.433 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.817 -13.623 13.980 1.00 0.00 H new ATOM 37 N SER A 5 1.614 -15.481 11.515 1.00 0.00 N ATOM 38 CA SER A 5 1.802 -16.737 10.798 1.00 0.00 C ATOM 39 C SER A 5 2.269 -16.481 9.368 1.00 0.00 C ATOM 40 O SER A 5 1.788 -15.567 8.700 1.00 0.00 O ATOM 41 CB SER A 5 0.500 -17.540 10.785 1.00 0.00 C ATOM 42 OG SER A 5 0.392 -18.354 11.940 1.00 0.00 O ATOM 0 H SER A 5 0.789 -14.953 11.231 1.00 0.00 H new ATOM 0 HA SER A 5 2.570 -17.312 11.315 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.350 -16.860 10.735 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.462 -18.164 9.892 1.00 0.00 H new ATOM 0 HG SER A 5 -0.449 -18.856 11.909 1.00 0.00 H new ATOM 48 N SER A 6 3.211 -17.297 8.906 1.00 0.00 N ATOM 49 CA SER A 6 3.748 -17.159 7.557 1.00 0.00 C ATOM 50 C SER A 6 2.623 -17.109 6.528 1.00 0.00 C ATOM 51 O SER A 6 1.483 -17.467 6.819 1.00 0.00 O ATOM 52 CB SER A 6 4.694 -18.319 7.240 1.00 0.00 C ATOM 53 OG SER A 6 5.424 -18.071 6.052 1.00 0.00 O ATOM 0 H SER A 6 3.618 -18.061 9.446 1.00 0.00 H new ATOM 0 HA SER A 6 4.304 -16.223 7.508 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.384 -18.467 8.071 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.122 -19.240 7.133 1.00 0.00 H new ATOM 0 HG SER A 6 6.022 -18.826 5.872 1.00 0.00 H new ATOM 59 N GLY A 7 2.954 -16.661 5.320 1.00 0.00 N ATOM 60 CA GLY A 7 1.962 -16.572 4.265 1.00 0.00 C ATOM 61 C GLY A 7 2.561 -16.779 2.888 1.00 0.00 C ATOM 62 O GLY A 7 2.755 -17.914 2.451 1.00 0.00 O ATOM 0 H GLY A 7 3.891 -16.358 5.054 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.186 -17.318 4.436 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.480 -15.595 4.305 1.00 0.00 H new ATOM 66 N LYS A 8 2.853 -15.681 2.200 1.00 0.00 N ATOM 67 CA LYS A 8 3.433 -15.746 0.863 1.00 0.00 C ATOM 68 C LYS A 8 4.705 -14.909 0.781 1.00 0.00 C ATOM 69 O LYS A 8 4.661 -13.684 0.886 1.00 0.00 O ATOM 70 CB LYS A 8 2.422 -15.261 -0.178 1.00 0.00 C ATOM 71 CG LYS A 8 2.952 -15.290 -1.601 1.00 0.00 C ATOM 72 CD LYS A 8 1.973 -14.655 -2.574 1.00 0.00 C ATOM 73 CE LYS A 8 0.766 -15.549 -2.814 1.00 0.00 C ATOM 74 NZ LYS A 8 1.053 -16.610 -3.819 1.00 0.00 N ATOM 0 H LYS A 8 2.698 -14.734 2.546 1.00 0.00 H new ATOM 0 HA LYS A 8 3.689 -16.785 0.655 1.00 0.00 H new ATOM 0 HB2 LYS A 8 1.528 -15.881 -0.120 1.00 0.00 H new ATOM 0 HB3 LYS A 8 2.120 -14.243 0.068 1.00 0.00 H new ATOM 0 HG2 LYS A 8 3.905 -14.763 -1.646 1.00 0.00 H new ATOM 0 HG3 LYS A 8 3.144 -16.321 -1.898 1.00 0.00 H new ATOM 0 HD2 LYS A 8 1.642 -13.693 -2.183 1.00 0.00 H new ATOM 0 HD3 LYS A 8 2.476 -14.458 -3.521 1.00 0.00 H new ATOM 0 HE2 LYS A 8 0.464 -16.011 -1.874 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.073 -14.943 -3.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 0.206 -17.198 -3.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 1.317 -16.169 -4.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 1.837 -17.205 -3.482 1.00 0.00 H new ATOM 88 N ALA A 9 5.837 -15.579 0.590 1.00 0.00 N ATOM 89 CA ALA A 9 7.121 -14.896 0.490 1.00 0.00 C ATOM 90 C ALA A 9 6.986 -13.583 -0.275 1.00 0.00 C ATOM 91 O ALA A 9 7.561 -12.566 0.113 1.00 0.00 O ATOM 92 CB ALA A 9 8.147 -15.796 -0.181 1.00 0.00 C ATOM 0 H ALA A 9 5.891 -16.594 0.501 1.00 0.00 H new ATOM 0 HA ALA A 9 7.461 -14.665 1.500 1.00 0.00 H new ATOM 0 HB1 ALA A 9 9.101 -15.273 -0.249 1.00 0.00 H new ATOM 0 HB2 ALA A 9 8.273 -16.705 0.407 1.00 0.00 H new ATOM 0 HB3 ALA A 9 7.804 -16.056 -1.182 1.00 0.00 H new ATOM 98 N PHE A 10 6.224 -13.613 -1.363 1.00 0.00 N ATOM 99 CA PHE A 10 6.015 -12.425 -2.183 1.00 0.00 C ATOM 100 C PHE A 10 5.352 -11.315 -1.373 1.00 0.00 C ATOM 101 O PHE A 10 5.769 -10.157 -1.427 1.00 0.00 O ATOM 102 CB PHE A 10 5.155 -12.766 -3.402 1.00 0.00 C ATOM 103 CG PHE A 10 5.175 -11.705 -4.465 1.00 0.00 C ATOM 104 CD1 PHE A 10 4.481 -10.519 -4.292 1.00 0.00 C ATOM 105 CD2 PHE A 10 5.888 -11.895 -5.638 1.00 0.00 C ATOM 106 CE1 PHE A 10 4.498 -9.541 -5.268 1.00 0.00 C ATOM 107 CE2 PHE A 10 5.909 -10.920 -6.617 1.00 0.00 C ATOM 108 CZ PHE A 10 5.212 -9.742 -6.433 1.00 0.00 C ATOM 0 H PHE A 10 5.741 -14.447 -1.698 1.00 0.00 H new ATOM 0 HA PHE A 10 6.989 -12.071 -2.521 1.00 0.00 H new ATOM 0 HB2 PHE A 10 5.503 -13.706 -3.831 1.00 0.00 H new ATOM 0 HB3 PHE A 10 4.127 -12.925 -3.078 1.00 0.00 H new ATOM 0 HD1 PHE A 10 3.920 -10.357 -3.384 1.00 0.00 H new ATOM 0 HD2 PHE A 10 6.433 -12.815 -5.789 1.00 0.00 H new ATOM 0 HE1 PHE A 10 3.953 -8.620 -5.120 1.00 0.00 H new ATOM 0 HE2 PHE A 10 6.470 -11.079 -7.526 1.00 0.00 H new ATOM 0 HZ PHE A 10 5.225 -8.980 -7.198 1.00 0.00 H new ATOM 118 N LEU A 11 4.316 -11.675 -0.623 1.00 0.00 N ATOM 119 CA LEU A 11 3.594 -10.711 0.198 1.00 0.00 C ATOM 120 C LEU A 11 4.362 -10.402 1.479 1.00 0.00 C ATOM 121 O LEU A 11 4.725 -9.255 1.735 1.00 0.00 O ATOM 122 CB LEU A 11 2.201 -11.244 0.541 1.00 0.00 C ATOM 123 CG LEU A 11 1.102 -10.955 -0.481 1.00 0.00 C ATOM 124 CD1 LEU A 11 -0.089 -11.875 -0.258 1.00 0.00 C ATOM 125 CD2 LEU A 11 0.673 -9.497 -0.406 1.00 0.00 C ATOM 0 H LEU A 11 3.958 -12.628 -0.567 1.00 0.00 H new ATOM 0 HA LEU A 11 3.493 -9.789 -0.374 1.00 0.00 H new ATOM 0 HB2 LEU A 11 2.270 -12.324 0.675 1.00 0.00 H new ATOM 0 HB3 LEU A 11 1.898 -10.822 1.499 1.00 0.00 H new ATOM 0 HG LEU A 11 1.501 -11.144 -1.478 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -0.862 -11.655 -0.995 1.00 0.00 H new ATOM 0 HD12 LEU A 11 0.228 -12.913 -0.363 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.488 -11.718 0.744 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.110 -9.310 -1.141 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.293 -9.280 0.592 1.00 0.00 H new ATOM 0 HD23 LEU A 11 1.528 -8.855 -0.616 1.00 0.00 H new ATOM 137 N GLU A 12 4.608 -11.435 2.279 1.00 0.00 N ATOM 138 CA GLU A 12 5.334 -11.274 3.533 1.00 0.00 C ATOM 139 C GLU A 12 6.422 -10.211 3.399 1.00 0.00 C ATOM 140 O GLU A 12 6.583 -9.360 4.272 1.00 0.00 O ATOM 141 CB GLU A 12 5.956 -12.604 3.963 1.00 0.00 C ATOM 142 CG GLU A 12 7.360 -12.822 3.424 1.00 0.00 C ATOM 143 CD GLU A 12 7.999 -14.091 3.954 1.00 0.00 C ATOM 144 OE1 GLU A 12 7.251 -15.025 4.314 1.00 0.00 O ATOM 145 OE2 GLU A 12 9.245 -14.150 4.011 1.00 0.00 O ATOM 0 H GLU A 12 4.315 -12.392 2.081 1.00 0.00 H new ATOM 0 HA GLU A 12 4.625 -10.950 4.295 1.00 0.00 H new ATOM 0 HB2 GLU A 12 5.983 -12.648 5.052 1.00 0.00 H new ATOM 0 HB3 GLU A 12 5.316 -13.420 3.627 1.00 0.00 H new ATOM 0 HG2 GLU A 12 7.324 -12.865 2.335 1.00 0.00 H new ATOM 0 HG3 GLU A 12 7.983 -11.968 3.689 1.00 0.00 H new ATOM 152 N ASP A 13 7.164 -10.270 2.299 1.00 0.00 N ATOM 153 CA ASP A 13 8.236 -9.313 2.049 1.00 0.00 C ATOM 154 C ASP A 13 7.679 -7.902 1.888 1.00 0.00 C ATOM 155 O ASP A 13 8.091 -6.978 2.588 1.00 0.00 O ATOM 156 CB ASP A 13 9.021 -9.710 0.798 1.00 0.00 C ATOM 157 CG ASP A 13 10.219 -8.812 0.557 1.00 0.00 C ATOM 158 OD1 ASP A 13 10.051 -7.763 -0.099 1.00 0.00 O ATOM 159 OD2 ASP A 13 11.325 -9.159 1.024 1.00 0.00 O ATOM 0 H ASP A 13 7.043 -10.970 1.567 1.00 0.00 H new ATOM 0 HA ASP A 13 8.906 -9.324 2.908 1.00 0.00 H new ATOM 0 HB2 ASP A 13 9.358 -10.742 0.896 1.00 0.00 H new ATOM 0 HB3 ASP A 13 8.361 -9.671 -0.069 1.00 0.00 H new ATOM 164 N MET A 14 6.740 -7.744 0.960 1.00 0.00 N ATOM 165 CA MET A 14 6.126 -6.446 0.708 1.00 0.00 C ATOM 166 C MET A 14 5.760 -5.754 2.017 1.00 0.00 C ATOM 167 O MET A 14 6.144 -4.609 2.255 1.00 0.00 O ATOM 168 CB MET A 14 4.879 -6.608 -0.163 1.00 0.00 C ATOM 169 CG MET A 14 4.134 -5.306 -0.406 1.00 0.00 C ATOM 170 SD MET A 14 2.437 -5.568 -0.955 1.00 0.00 S ATOM 171 CE MET A 14 1.724 -6.330 0.501 1.00 0.00 C ATOM 0 H MET A 14 6.388 -8.499 0.371 1.00 0.00 H new ATOM 0 HA MET A 14 6.851 -5.826 0.180 1.00 0.00 H new ATOM 0 HB2 MET A 14 5.169 -7.035 -1.123 1.00 0.00 H new ATOM 0 HB3 MET A 14 4.204 -7.320 0.312 1.00 0.00 H new ATOM 0 HG2 MET A 14 4.128 -4.719 0.512 1.00 0.00 H new ATOM 0 HG3 MET A 14 4.668 -4.721 -1.155 1.00 0.00 H new ATOM 0 HE1 MET A 14 0.673 -6.553 0.317 1.00 0.00 H new ATOM 0 HE2 MET A 14 2.257 -7.254 0.726 1.00 0.00 H new ATOM 0 HE3 MET A 14 1.808 -5.648 1.347 1.00 0.00 H new ATOM 181 N LYS A 15 5.014 -6.456 2.864 1.00 0.00 N ATOM 182 CA LYS A 15 4.596 -5.911 4.149 1.00 0.00 C ATOM 183 C LYS A 15 5.738 -5.150 4.815 1.00 0.00 C ATOM 184 O LYS A 15 5.648 -3.942 5.036 1.00 0.00 O ATOM 185 CB LYS A 15 4.112 -7.033 5.070 1.00 0.00 C ATOM 186 CG LYS A 15 2.656 -7.409 4.859 1.00 0.00 C ATOM 187 CD LYS A 15 2.402 -8.869 5.192 1.00 0.00 C ATOM 188 CE LYS A 15 2.135 -9.063 6.677 1.00 0.00 C ATOM 189 NZ LYS A 15 2.544 -10.418 7.142 1.00 0.00 N ATOM 0 H LYS A 15 4.687 -7.405 2.682 1.00 0.00 H new ATOM 0 HA LYS A 15 3.775 -5.217 3.970 1.00 0.00 H new ATOM 0 HB2 LYS A 15 4.733 -7.915 4.911 1.00 0.00 H new ATOM 0 HB3 LYS A 15 4.253 -6.727 6.107 1.00 0.00 H new ATOM 0 HG2 LYS A 15 2.023 -6.778 5.482 1.00 0.00 H new ATOM 0 HG3 LYS A 15 2.377 -7.217 3.823 1.00 0.00 H new ATOM 0 HD2 LYS A 15 1.550 -9.231 4.617 1.00 0.00 H new ATOM 0 HD3 LYS A 15 3.264 -9.466 4.895 1.00 0.00 H new ATOM 0 HE2 LYS A 15 2.675 -8.306 7.245 1.00 0.00 H new ATOM 0 HE3 LYS A 15 1.074 -8.915 6.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 2.346 -10.511 8.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 2.010 -11.141 6.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 3.562 -10.550 6.974 1.00 0.00 H new ATOM 203 N LYS A 16 6.813 -5.864 5.132 1.00 0.00 N ATOM 204 CA LYS A 16 7.975 -5.256 5.770 1.00 0.00 C ATOM 205 C LYS A 16 8.372 -3.965 5.060 1.00 0.00 C ATOM 206 O LYS A 16 8.346 -2.887 5.653 1.00 0.00 O ATOM 207 CB LYS A 16 9.152 -6.234 5.769 1.00 0.00 C ATOM 208 CG LYS A 16 9.116 -7.229 6.916 1.00 0.00 C ATOM 209 CD LYS A 16 8.009 -8.253 6.731 1.00 0.00 C ATOM 210 CE LYS A 16 8.115 -9.379 7.747 1.00 0.00 C ATOM 211 NZ LYS A 16 7.660 -8.951 9.099 1.00 0.00 N ATOM 0 H LYS A 16 6.904 -6.865 4.957 1.00 0.00 H new ATOM 0 HA LYS A 16 7.710 -5.017 6.800 1.00 0.00 H new ATOM 0 HB2 LYS A 16 9.159 -6.780 4.826 1.00 0.00 H new ATOM 0 HB3 LYS A 16 10.083 -5.669 5.818 1.00 0.00 H new ATOM 0 HG2 LYS A 16 10.077 -7.739 6.987 1.00 0.00 H new ATOM 0 HG3 LYS A 16 8.968 -6.697 7.856 1.00 0.00 H new ATOM 0 HD2 LYS A 16 7.040 -7.764 6.828 1.00 0.00 H new ATOM 0 HD3 LYS A 16 8.058 -8.665 5.723 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.516 -10.226 7.414 1.00 0.00 H new ATOM 0 HE3 LYS A 16 9.148 -9.721 7.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 7.748 -9.747 9.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 8.248 -8.159 9.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.666 -8.648 9.051 1.00 0.00 H new ATOM 225 N TYR A 17 8.739 -4.083 3.789 1.00 0.00 N ATOM 226 CA TYR A 17 9.142 -2.926 2.999 1.00 0.00 C ATOM 227 C TYR A 17 8.070 -1.841 3.035 1.00 0.00 C ATOM 228 O TYR A 17 8.264 -0.781 3.629 1.00 0.00 O ATOM 229 CB TYR A 17 9.417 -3.340 1.552 1.00 0.00 C ATOM 230 CG TYR A 17 9.501 -2.173 0.594 1.00 0.00 C ATOM 231 CD1 TYR A 17 10.692 -1.480 0.416 1.00 0.00 C ATOM 232 CD2 TYR A 17 8.390 -1.763 -0.132 1.00 0.00 C ATOM 233 CE1 TYR A 17 10.774 -0.413 -0.457 1.00 0.00 C ATOM 234 CE2 TYR A 17 8.463 -0.698 -1.009 1.00 0.00 C ATOM 235 CZ TYR A 17 9.657 -0.026 -1.168 1.00 0.00 C ATOM 236 OH TYR A 17 9.734 1.036 -2.039 1.00 0.00 O ATOM 0 H TYR A 17 8.766 -4.969 3.284 1.00 0.00 H new ATOM 0 HA TYR A 17 10.056 -2.522 3.434 1.00 0.00 H new ATOM 0 HB2 TYR A 17 10.352 -3.898 1.514 1.00 0.00 H new ATOM 0 HB3 TYR A 17 8.629 -4.016 1.220 1.00 0.00 H new ATOM 0 HD1 TYR A 17 11.569 -1.781 0.970 1.00 0.00 H new ATOM 0 HD2 TYR A 17 7.453 -2.286 -0.009 1.00 0.00 H new ATOM 0 HE1 TYR A 17 11.707 0.116 -0.582 1.00 0.00 H new ATOM 0 HE2 TYR A 17 7.590 -0.393 -1.567 1.00 0.00 H new ATOM 0 HH TYR A 17 9.037 1.689 -1.820 1.00 0.00 H new ATOM 246 N ALA A 18 6.938 -2.116 2.395 1.00 0.00 N ATOM 247 CA ALA A 18 5.833 -1.166 2.356 1.00 0.00 C ATOM 248 C ALA A 18 5.686 -0.440 3.688 1.00 0.00 C ATOM 249 O ALA A 18 5.314 0.733 3.728 1.00 0.00 O ATOM 250 CB ALA A 18 4.538 -1.878 1.994 1.00 0.00 C ATOM 0 H ALA A 18 6.762 -2.988 1.897 1.00 0.00 H new ATOM 0 HA ALA A 18 6.052 -0.422 1.590 1.00 0.00 H new ATOM 0 HB1 ALA A 18 3.721 -1.157 1.968 1.00 0.00 H new ATOM 0 HB2 ALA A 18 4.641 -2.345 1.014 1.00 0.00 H new ATOM 0 HB3 ALA A 18 4.323 -2.643 2.740 1.00 0.00 H new ATOM 256 N GLU A 19 5.978 -1.144 4.777 1.00 0.00 N ATOM 257 CA GLU A 19 5.876 -0.565 6.111 1.00 0.00 C ATOM 258 C GLU A 19 6.991 0.449 6.351 1.00 0.00 C ATOM 259 O GLU A 19 6.748 1.656 6.403 1.00 0.00 O ATOM 260 CB GLU A 19 5.935 -1.664 7.174 1.00 0.00 C ATOM 261 CG GLU A 19 5.483 -1.205 8.550 1.00 0.00 C ATOM 262 CD GLU A 19 5.912 -2.154 9.652 1.00 0.00 C ATOM 263 OE1 GLU A 19 7.081 -2.594 9.634 1.00 0.00 O ATOM 264 OE2 GLU A 19 5.079 -2.458 10.532 1.00 0.00 O ATOM 0 H GLU A 19 6.287 -2.116 4.761 1.00 0.00 H new ATOM 0 HA GLU A 19 4.918 -0.050 6.183 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.311 -2.499 6.856 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.957 -2.037 7.242 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.890 -0.214 8.750 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.397 -1.111 8.559 1.00 0.00 H new ATOM 271 N THR A 20 8.215 -0.048 6.497 1.00 0.00 N ATOM 272 CA THR A 20 9.367 0.813 6.733 1.00 0.00 C ATOM 273 C THR A 20 9.532 1.830 5.610 1.00 0.00 C ATOM 274 O THR A 20 10.315 2.774 5.723 1.00 0.00 O ATOM 275 CB THR A 20 10.664 -0.007 6.861 1.00 0.00 C ATOM 276 OG1 THR A 20 11.692 0.793 7.456 1.00 0.00 O ATOM 277 CG2 THR A 20 11.126 -0.506 5.501 1.00 0.00 C ATOM 0 H THR A 20 8.434 -1.043 6.456 1.00 0.00 H new ATOM 0 HA THR A 20 9.183 1.337 7.671 1.00 0.00 H new ATOM 0 HB THR A 20 10.461 -0.869 7.496 1.00 0.00 H new ATOM 0 HG1 THR A 20 11.542 1.736 7.234 1.00 0.00 H new ATOM 0 HG21 THR A 20 12.044 -1.082 5.617 1.00 0.00 H new ATOM 0 HG22 THR A 20 10.353 -1.138 5.064 1.00 0.00 H new ATOM 0 HG23 THR A 20 11.313 0.345 4.845 1.00 0.00 H new ATOM 285 N PHE A 21 8.788 1.634 4.526 1.00 0.00 N ATOM 286 CA PHE A 21 8.853 2.535 3.381 1.00 0.00 C ATOM 287 C PHE A 21 7.779 3.615 3.478 1.00 0.00 C ATOM 288 O PHE A 21 8.015 4.774 3.134 1.00 0.00 O ATOM 289 CB PHE A 21 8.687 1.751 2.078 1.00 0.00 C ATOM 290 CG PHE A 21 8.362 2.617 0.894 1.00 0.00 C ATOM 291 CD1 PHE A 21 8.973 3.850 0.733 1.00 0.00 C ATOM 292 CD2 PHE A 21 7.446 2.198 -0.057 1.00 0.00 C ATOM 293 CE1 PHE A 21 8.675 4.649 -0.355 1.00 0.00 C ATOM 294 CE2 PHE A 21 7.144 2.993 -1.147 1.00 0.00 C ATOM 295 CZ PHE A 21 7.761 4.220 -1.296 1.00 0.00 C ATOM 0 H PHE A 21 8.133 0.859 4.417 1.00 0.00 H new ATOM 0 HA PHE A 21 9.831 3.017 3.385 1.00 0.00 H new ATOM 0 HB2 PHE A 21 9.606 1.201 1.875 1.00 0.00 H new ATOM 0 HB3 PHE A 21 7.896 1.013 2.206 1.00 0.00 H new ATOM 0 HD1 PHE A 21 9.690 4.191 1.465 1.00 0.00 H new ATOM 0 HD2 PHE A 21 6.962 1.239 0.054 1.00 0.00 H new ATOM 0 HE1 PHE A 21 9.157 5.609 -0.469 1.00 0.00 H new ATOM 0 HE2 PHE A 21 6.427 2.655 -1.881 1.00 0.00 H new ATOM 0 HZ PHE A 21 7.529 4.843 -2.147 1.00 0.00 H new ATOM 305 N LEU A 22 6.599 3.227 3.949 1.00 0.00 N ATOM 306 CA LEU A 22 5.488 4.161 4.091 1.00 0.00 C ATOM 307 C LEU A 22 5.378 4.662 5.528 1.00 0.00 C ATOM 308 O LEU A 22 4.460 5.409 5.866 1.00 0.00 O ATOM 309 CB LEU A 22 4.177 3.494 3.670 1.00 0.00 C ATOM 310 CG LEU A 22 4.118 2.980 2.231 1.00 0.00 C ATOM 311 CD1 LEU A 22 3.003 1.958 2.074 1.00 0.00 C ATOM 312 CD2 LEU A 22 3.925 4.136 1.260 1.00 0.00 C ATOM 0 H LEU A 22 6.387 2.272 4.239 1.00 0.00 H new ATOM 0 HA LEU A 22 5.679 5.015 3.441 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.986 2.657 4.342 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.367 4.209 3.813 1.00 0.00 H new ATOM 0 HG LEU A 22 5.065 2.492 2.001 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.977 1.604 1.044 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.184 1.116 2.743 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.048 2.420 2.323 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.885 3.752 0.241 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.993 4.653 1.490 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.758 4.832 1.353 1.00 0.00 H new ATOM 324 N GLU A 23 6.321 4.246 6.368 1.00 0.00 N ATOM 325 CA GLU A 23 6.329 4.653 7.768 1.00 0.00 C ATOM 326 C GLU A 23 6.193 6.168 7.894 1.00 0.00 C ATOM 327 O GLU A 23 5.277 6.683 8.537 1.00 0.00 O ATOM 328 CB GLU A 23 7.618 4.188 8.449 1.00 0.00 C ATOM 329 CG GLU A 23 7.483 2.850 9.157 1.00 0.00 C ATOM 330 CD GLU A 23 8.584 2.613 10.172 1.00 0.00 C ATOM 331 OE1 GLU A 23 9.026 3.593 10.808 1.00 0.00 O ATOM 332 OE2 GLU A 23 9.003 1.448 10.331 1.00 0.00 O ATOM 0 H GLU A 23 7.088 3.628 6.103 1.00 0.00 H new ATOM 0 HA GLU A 23 5.476 4.186 8.261 1.00 0.00 H new ATOM 0 HB2 GLU A 23 8.408 4.116 7.702 1.00 0.00 H new ATOM 0 HB3 GLU A 23 7.930 4.942 9.172 1.00 0.00 H new ATOM 0 HG2 GLU A 23 6.516 2.804 9.658 1.00 0.00 H new ATOM 0 HG3 GLU A 23 7.497 2.049 8.418 1.00 0.00 H new ATOM 339 N PRO A 24 7.126 6.900 7.267 1.00 0.00 N ATOM 340 CA PRO A 24 7.132 8.366 7.295 1.00 0.00 C ATOM 341 C PRO A 24 5.982 8.965 6.492 1.00 0.00 C ATOM 342 O PRO A 24 5.761 10.176 6.516 1.00 0.00 O ATOM 343 CB PRO A 24 8.475 8.727 6.656 1.00 0.00 C ATOM 344 CG PRO A 24 8.806 7.563 5.787 1.00 0.00 C ATOM 345 CD PRO A 24 8.246 6.354 6.484 1.00 0.00 C ATOM 0 HA PRO A 24 7.007 8.755 8.305 1.00 0.00 H new ATOM 0 HB2 PRO A 24 8.403 9.647 6.075 1.00 0.00 H new ATOM 0 HB3 PRO A 24 9.243 8.887 7.413 1.00 0.00 H new ATOM 0 HG2 PRO A 24 8.369 7.679 4.795 1.00 0.00 H new ATOM 0 HG3 PRO A 24 9.884 7.471 5.651 1.00 0.00 H new ATOM 0 HD2 PRO A 24 7.909 5.600 5.772 1.00 0.00 H new ATOM 0 HD3 PRO A 24 8.990 5.879 7.124 1.00 0.00 H new ATOM 353 N TRP A 25 5.253 8.111 5.784 1.00 0.00 N ATOM 354 CA TRP A 25 4.125 8.557 4.974 1.00 0.00 C ATOM 355 C TRP A 25 2.801 8.190 5.636 1.00 0.00 C ATOM 356 O TRP A 25 1.764 8.788 5.346 1.00 0.00 O ATOM 357 CB TRP A 25 4.198 7.942 3.576 1.00 0.00 C ATOM 358 CG TRP A 25 4.940 8.794 2.590 1.00 0.00 C ATOM 359 CD1 TRP A 25 4.454 9.876 1.914 1.00 0.00 C ATOM 360 CD2 TRP A 25 6.299 8.632 2.170 1.00 0.00 C ATOM 361 NE1 TRP A 25 5.429 10.397 1.098 1.00 0.00 N ATOM 362 CE2 TRP A 25 6.570 9.653 1.238 1.00 0.00 C ATOM 363 CE3 TRP A 25 7.314 7.727 2.493 1.00 0.00 C ATOM 364 CZ2 TRP A 25 7.813 9.789 0.625 1.00 0.00 C ATOM 365 CZ3 TRP A 25 8.546 7.864 1.884 1.00 0.00 C ATOM 366 CH2 TRP A 25 8.788 8.889 0.960 1.00 0.00 C ATOM 0 H TRP A 25 5.422 7.106 5.754 1.00 0.00 H new ATOM 0 HA TRP A 25 4.179 9.642 4.888 1.00 0.00 H new ATOM 0 HB2 TRP A 25 4.682 6.968 3.640 1.00 0.00 H new ATOM 0 HB3 TRP A 25 3.186 7.771 3.209 1.00 0.00 H new ATOM 0 HD1 TRP A 25 3.451 10.265 2.007 1.00 0.00 H new ATOM 0 HE1 TRP A 25 5.320 11.207 0.487 1.00 0.00 H new ATOM 0 HE3 TRP A 25 7.138 6.935 3.206 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 8.001 10.577 -0.089 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 9.337 7.169 2.124 1.00 0.00 H new ATOM 0 HH2 TRP A 25 9.763 8.970 0.503 1.00 0.00 H new ATOM 377 N PHE A 26 2.843 7.204 6.525 1.00 0.00 N ATOM 378 CA PHE A 26 1.645 6.756 7.227 1.00 0.00 C ATOM 379 C PHE A 26 1.869 6.753 8.737 1.00 0.00 C ATOM 380 O PHE A 26 1.013 7.192 9.505 1.00 0.00 O ATOM 381 CB PHE A 26 1.245 5.356 6.756 1.00 0.00 C ATOM 382 CG PHE A 26 0.492 5.354 5.457 1.00 0.00 C ATOM 383 CD1 PHE A 26 -0.543 6.248 5.239 1.00 0.00 C ATOM 384 CD2 PHE A 26 0.819 4.456 4.453 1.00 0.00 C ATOM 385 CE1 PHE A 26 -1.238 6.249 4.044 1.00 0.00 C ATOM 386 CE2 PHE A 26 0.128 4.452 3.257 1.00 0.00 C ATOM 387 CZ PHE A 26 -0.903 5.348 3.052 1.00 0.00 C ATOM 0 H PHE A 26 3.693 6.700 6.777 1.00 0.00 H new ATOM 0 HA PHE A 26 0.838 7.452 6.998 1.00 0.00 H new ATOM 0 HB2 PHE A 26 2.143 4.747 6.647 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.631 4.885 7.523 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -0.810 6.953 6.012 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.623 3.752 4.608 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -2.042 6.953 3.886 1.00 0.00 H new ATOM 0 HE2 PHE A 26 0.394 3.748 2.482 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.446 5.344 2.118 1.00 0.00 H new ATOM 397 N LYS A 27 3.027 6.253 9.156 1.00 0.00 N ATOM 398 CA LYS A 27 3.367 6.192 10.572 1.00 0.00 C ATOM 399 C LYS A 27 3.764 7.568 11.097 1.00 0.00 C ATOM 400 O LYS A 27 4.460 8.323 10.419 1.00 0.00 O ATOM 401 CB LYS A 27 4.507 5.198 10.802 1.00 0.00 C ATOM 402 CG LYS A 27 4.598 4.696 12.233 1.00 0.00 C ATOM 403 CD LYS A 27 5.427 3.426 12.327 1.00 0.00 C ATOM 404 CE LYS A 27 6.114 3.307 13.679 1.00 0.00 C ATOM 405 NZ LYS A 27 6.602 1.924 13.934 1.00 0.00 N ATOM 0 H LYS A 27 3.746 5.884 8.534 1.00 0.00 H new ATOM 0 HA LYS A 27 2.485 5.856 11.117 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.375 4.346 10.135 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.451 5.672 10.531 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.040 5.468 12.863 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.596 4.507 12.618 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.786 2.559 12.166 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.176 3.420 11.535 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.953 4.002 13.722 1.00 0.00 H new ATOM 0 HE3 LYS A 27 5.419 3.598 14.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.064 1.885 14.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.799 1.264 13.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.285 1.656 13.197 1.00 0.00 H new ATOM 419 N ALA A 28 3.319 7.886 12.308 1.00 0.00 N ATOM 420 CA ALA A 28 3.632 9.169 12.924 1.00 0.00 C ATOM 421 C ALA A 28 5.093 9.543 12.702 1.00 0.00 C ATOM 422 O ALA A 28 5.947 8.691 12.455 1.00 0.00 O ATOM 423 CB ALA A 28 3.315 9.132 14.412 1.00 0.00 C ATOM 0 H ALA A 28 2.741 7.272 12.882 1.00 0.00 H new ATOM 0 HA ALA A 28 3.013 9.931 12.451 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.554 10.097 14.859 1.00 0.00 H new ATOM 0 HB2 ALA A 28 2.255 8.919 14.553 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.909 8.353 14.891 1.00 0.00 H new ATOM 429 N PRO A 29 5.391 10.848 12.790 1.00 0.00 N ATOM 430 CA PRO A 29 4.383 11.872 13.082 1.00 0.00 C ATOM 431 C PRO A 29 3.408 12.072 11.927 1.00 0.00 C ATOM 432 O PRO A 29 2.465 12.856 12.028 1.00 0.00 O ATOM 433 CB PRO A 29 5.216 13.137 13.303 1.00 0.00 C ATOM 434 CG PRO A 29 6.471 12.904 12.534 1.00 0.00 C ATOM 435 CD PRO A 29 6.734 11.425 12.609 1.00 0.00 C ATOM 0 HA PRO A 29 3.761 11.600 13.935 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.692 14.023 12.946 1.00 0.00 H new ATOM 0 HB3 PRO A 29 5.424 13.294 14.361 1.00 0.00 H new ATOM 0 HG2 PRO A 29 6.361 13.229 11.499 1.00 0.00 H new ATOM 0 HG3 PRO A 29 7.300 13.470 12.959 1.00 0.00 H new ATOM 0 HD2 PRO A 29 7.211 11.055 11.701 1.00 0.00 H new ATOM 0 HD3 PRO A 29 7.394 11.176 13.440 1.00 0.00 H new ATOM 443 N ASN A 30 3.641 11.357 10.831 1.00 0.00 N ATOM 444 CA ASN A 30 2.782 11.457 9.657 1.00 0.00 C ATOM 445 C ASN A 30 1.499 10.654 9.851 1.00 0.00 C ATOM 446 O ASN A 30 1.485 9.647 10.559 1.00 0.00 O ATOM 447 CB ASN A 30 3.523 10.962 8.413 1.00 0.00 C ATOM 448 CG ASN A 30 4.490 11.994 7.867 1.00 0.00 C ATOM 449 OD1 ASN A 30 4.239 12.609 6.830 1.00 0.00 O ATOM 450 ND2 ASN A 30 5.603 12.189 8.565 1.00 0.00 N ATOM 0 H ASN A 30 4.417 10.703 10.732 1.00 0.00 H new ATOM 0 HA ASN A 30 2.516 12.505 9.521 1.00 0.00 H new ATOM 0 HB2 ASN A 30 4.068 10.050 8.657 1.00 0.00 H new ATOM 0 HB3 ASN A 30 2.798 10.703 7.641 1.00 0.00 H new ATOM 0 HD21 ASN A 30 6.291 12.871 8.247 1.00 0.00 H new ATOM 0 HD22 ASN A 30 5.769 11.657 9.419 1.00 0.00 H new ATOM 457 N LYS A 31 0.423 11.107 9.218 1.00 0.00 N ATOM 458 CA LYS A 31 -0.865 10.431 9.318 1.00 0.00 C ATOM 459 C LYS A 31 -1.889 11.068 8.384 1.00 0.00 C ATOM 460 O LYS A 31 -1.712 12.199 7.933 1.00 0.00 O ATOM 461 CB LYS A 31 -1.377 10.476 10.760 1.00 0.00 C ATOM 462 CG LYS A 31 -1.295 11.855 11.391 1.00 0.00 C ATOM 463 CD LYS A 31 -2.397 12.066 12.416 1.00 0.00 C ATOM 464 CE LYS A 31 -3.684 12.543 11.761 1.00 0.00 C ATOM 465 NZ LYS A 31 -4.635 13.112 12.756 1.00 0.00 N ATOM 0 H LYS A 31 0.417 11.940 8.630 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.725 9.392 9.020 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.413 10.138 10.780 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.801 9.775 11.363 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.323 11.980 11.869 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.369 12.616 10.614 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.583 11.134 12.949 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.072 12.797 13.156 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.451 13.297 11.009 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.157 11.710 11.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.554 12.633 12.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.259 12.972 13.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.757 14.129 12.577 1.00 0.00 H new ATOM 479 N GLY A 32 -2.960 10.335 8.098 1.00 0.00 N ATOM 480 CA GLY A 32 -3.996 10.846 7.220 1.00 0.00 C ATOM 481 C GLY A 32 -4.701 9.745 6.452 1.00 0.00 C ATOM 482 O GLY A 32 -4.760 8.601 6.904 1.00 0.00 O ATOM 0 H GLY A 32 -3.129 9.396 8.459 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.727 11.399 7.810 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -3.555 11.551 6.515 1.00 0.00 H new ATOM 486 N THR A 33 -5.240 10.090 5.287 1.00 0.00 N ATOM 487 CA THR A 33 -5.947 9.124 4.456 1.00 0.00 C ATOM 488 C THR A 33 -5.130 8.758 3.222 1.00 0.00 C ATOM 489 O THR A 33 -4.139 9.415 2.904 1.00 0.00 O ATOM 490 CB THR A 33 -7.318 9.664 4.008 1.00 0.00 C ATOM 491 OG1 THR A 33 -7.152 10.901 3.307 1.00 0.00 O ATOM 492 CG2 THR A 33 -8.235 9.872 5.205 1.00 0.00 C ATOM 0 H THR A 33 -5.200 11.032 4.898 1.00 0.00 H new ATOM 0 HA THR A 33 -6.098 8.234 5.066 1.00 0.00 H new ATOM 0 HB THR A 33 -7.774 8.930 3.344 1.00 0.00 H new ATOM 0 HG1 THR A 33 -7.974 11.112 2.817 1.00 0.00 H new ATOM 0 HG21 THR A 33 -9.197 10.254 4.864 1.00 0.00 H new ATOM 0 HG22 THR A 33 -8.383 8.922 5.719 1.00 0.00 H new ATOM 0 HG23 THR A 33 -7.782 10.589 5.890 1.00 0.00 H new ATOM 500 N PHE A 34 -5.553 7.706 2.529 1.00 0.00 N ATOM 501 CA PHE A 34 -4.860 7.253 1.328 1.00 0.00 C ATOM 502 C PHE A 34 -5.760 6.351 0.488 1.00 0.00 C ATOM 503 O PHE A 34 -6.865 6.001 0.903 1.00 0.00 O ATOM 504 CB PHE A 34 -3.579 6.505 1.705 1.00 0.00 C ATOM 505 CG PHE A 34 -3.789 5.443 2.745 1.00 0.00 C ATOM 506 CD1 PHE A 34 -4.095 5.785 4.053 1.00 0.00 C ATOM 507 CD2 PHE A 34 -3.680 4.101 2.417 1.00 0.00 C ATOM 508 CE1 PHE A 34 -4.289 4.810 5.013 1.00 0.00 C ATOM 509 CE2 PHE A 34 -3.873 3.122 3.372 1.00 0.00 C ATOM 510 CZ PHE A 34 -4.177 3.476 4.672 1.00 0.00 C ATOM 0 H PHE A 34 -6.372 7.151 2.778 1.00 0.00 H new ATOM 0 HA PHE A 34 -4.600 8.130 0.736 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -3.158 6.047 0.810 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -2.844 7.221 2.072 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -4.183 6.826 4.325 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -3.441 3.817 1.403 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -4.528 5.091 6.028 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -3.786 2.080 3.102 1.00 0.00 H new ATOM 0 HZ PHE A 34 -4.327 2.712 5.420 1.00 0.00 H new ATOM 520 N GLN A 35 -5.279 5.981 -0.694 1.00 0.00 N ATOM 521 CA GLN A 35 -6.040 5.121 -1.593 1.00 0.00 C ATOM 522 C GLN A 35 -5.124 4.132 -2.306 1.00 0.00 C ATOM 523 O GLN A 35 -4.310 4.519 -3.144 1.00 0.00 O ATOM 524 CB GLN A 35 -6.797 5.965 -2.620 1.00 0.00 C ATOM 525 CG GLN A 35 -5.931 7.009 -3.306 1.00 0.00 C ATOM 526 CD GLN A 35 -6.625 7.658 -4.487 1.00 0.00 C ATOM 527 OE1 GLN A 35 -7.004 8.829 -4.433 1.00 0.00 O ATOM 528 NE2 GLN A 35 -6.796 6.900 -5.564 1.00 0.00 N ATOM 0 H GLN A 35 -4.366 6.263 -1.052 1.00 0.00 H new ATOM 0 HA GLN A 35 -6.757 4.558 -0.996 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -7.224 5.306 -3.376 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -7.630 6.464 -2.125 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -5.655 7.778 -2.584 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -5.006 6.543 -3.644 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -6.466 5.935 -5.566 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -7.257 7.283 -6.389 1.00 0.00 H new ATOM 537 N ILE A 36 -5.263 2.855 -1.967 1.00 0.00 N ATOM 538 CA ILE A 36 -4.448 1.810 -2.575 1.00 0.00 C ATOM 539 C ILE A 36 -5.048 1.346 -3.898 1.00 0.00 C ATOM 540 O ILE A 36 -6.268 1.262 -4.044 1.00 0.00 O ATOM 541 CB ILE A 36 -4.297 0.597 -1.639 1.00 0.00 C ATOM 542 CG1 ILE A 36 -3.653 1.022 -0.318 1.00 0.00 C ATOM 543 CG2 ILE A 36 -3.472 -0.491 -2.311 1.00 0.00 C ATOM 544 CD1 ILE A 36 -3.933 0.070 0.824 1.00 0.00 C ATOM 0 H ILE A 36 -5.932 2.519 -1.275 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.464 2.242 -2.756 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.288 0.195 -1.426 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.575 1.102 -0.458 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.014 2.015 -0.050 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.374 -1.342 -1.637 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.968 -0.810 -3.228 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.482 -0.102 -2.550 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.446 0.434 1.729 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.008 0.008 0.991 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.547 -0.919 0.576 1.00 0.00 H new ATOM 556 N VAL A 37 -4.182 1.043 -4.860 1.00 0.00 N ATOM 557 CA VAL A 37 -4.626 0.583 -6.171 1.00 0.00 C ATOM 558 C VAL A 37 -3.667 -0.454 -6.743 1.00 0.00 C ATOM 559 O VAL A 37 -2.459 -0.226 -6.813 1.00 0.00 O ATOM 560 CB VAL A 37 -4.750 1.754 -7.164 1.00 0.00 C ATOM 561 CG1 VAL A 37 -5.072 1.240 -8.559 1.00 0.00 C ATOM 562 CG2 VAL A 37 -5.808 2.741 -6.693 1.00 0.00 C ATOM 0 H VAL A 37 -3.169 1.108 -4.756 1.00 0.00 H new ATOM 0 HA VAL A 37 -5.607 0.129 -6.032 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.793 2.274 -7.207 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -5.156 2.082 -9.247 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -4.276 0.575 -8.895 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -6.015 0.694 -8.537 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -5.883 3.562 -7.406 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -6.771 2.235 -6.620 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.529 3.134 -5.715 1.00 0.00 H new ATOM 572 N TYR A 38 -4.213 -1.594 -7.152 1.00 0.00 N ATOM 573 CA TYR A 38 -3.405 -2.669 -7.717 1.00 0.00 C ATOM 574 C TYR A 38 -3.274 -2.514 -9.229 1.00 0.00 C ATOM 575 O TYR A 38 -4.190 -2.845 -9.981 1.00 0.00 O ATOM 576 CB TYR A 38 -4.022 -4.028 -7.384 1.00 0.00 C ATOM 577 CG TYR A 38 -3.305 -5.193 -8.027 1.00 0.00 C ATOM 578 CD1 TYR A 38 -2.191 -5.767 -7.425 1.00 0.00 C ATOM 579 CD2 TYR A 38 -3.740 -5.721 -9.236 1.00 0.00 C ATOM 580 CE1 TYR A 38 -1.532 -6.831 -8.009 1.00 0.00 C ATOM 581 CE2 TYR A 38 -3.088 -6.786 -9.827 1.00 0.00 C ATOM 582 CZ TYR A 38 -1.984 -7.337 -9.210 1.00 0.00 C ATOM 583 OH TYR A 38 -1.331 -8.397 -9.795 1.00 0.00 O ATOM 0 H TYR A 38 -5.211 -1.798 -7.103 1.00 0.00 H new ATOM 0 HA TYR A 38 -2.410 -2.612 -7.276 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -4.020 -4.163 -6.302 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -5.064 -4.033 -7.704 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.835 -5.374 -6.484 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -4.603 -5.291 -9.723 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -0.668 -7.264 -7.528 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -3.441 -7.185 -10.767 1.00 0.00 H new ATOM 0 HH TYR A 38 -1.982 -9.089 -10.036 1.00 0.00 H new ATOM 593 N LYS A 39 -2.126 -2.009 -9.668 1.00 0.00 N ATOM 594 CA LYS A 39 -1.870 -1.812 -11.089 1.00 0.00 C ATOM 595 C LYS A 39 -1.020 -2.946 -11.652 1.00 0.00 C ATOM 596 O LYS A 39 -0.036 -3.360 -11.039 1.00 0.00 O ATOM 597 CB LYS A 39 -1.169 -0.471 -11.321 1.00 0.00 C ATOM 598 CG LYS A 39 -2.075 0.732 -11.123 1.00 0.00 C ATOM 599 CD LYS A 39 -1.629 1.911 -11.971 1.00 0.00 C ATOM 600 CE LYS A 39 -2.807 2.784 -12.374 1.00 0.00 C ATOM 601 NZ LYS A 39 -3.942 1.976 -12.900 1.00 0.00 N ATOM 0 H LYS A 39 -1.358 -1.729 -9.059 1.00 0.00 H new ATOM 0 HA LYS A 39 -2.829 -1.809 -11.608 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.321 -0.392 -10.641 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -0.769 -0.451 -12.335 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.099 0.464 -11.381 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -2.076 1.019 -10.071 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -0.906 2.508 -11.415 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -1.122 1.547 -12.865 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -3.142 3.363 -11.513 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -2.487 3.498 -13.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -4.482 2.542 -13.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -3.574 1.124 -13.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.564 1.698 -12.114 1.00 0.00 H new ATOM 615 N SER A 40 -1.405 -3.443 -12.824 1.00 0.00 N ATOM 616 CA SER A 40 -0.679 -4.531 -13.468 1.00 0.00 C ATOM 617 C SER A 40 -0.432 -4.222 -14.941 1.00 0.00 C ATOM 618 O SER A 40 -1.357 -4.233 -15.753 1.00 0.00 O ATOM 619 CB SER A 40 -1.458 -5.841 -13.334 1.00 0.00 C ATOM 620 OG SER A 40 -2.693 -5.773 -14.025 1.00 0.00 O ATOM 0 H SER A 40 -2.215 -3.109 -13.346 1.00 0.00 H new ATOM 0 HA SER A 40 0.285 -4.637 -12.970 1.00 0.00 H new ATOM 0 HB2 SER A 40 -0.862 -6.664 -13.728 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.638 -6.054 -12.280 1.00 0.00 H new ATOM 0 HG SER A 40 -2.594 -5.204 -14.817 1.00 0.00 H new ATOM 626 N ARG A 41 0.824 -3.946 -15.278 1.00 0.00 N ATOM 627 CA ARG A 41 1.194 -3.631 -16.653 1.00 0.00 C ATOM 628 C ARG A 41 1.427 -4.906 -17.458 1.00 0.00 C ATOM 629 O ARG A 41 0.972 -5.026 -18.595 1.00 0.00 O ATOM 630 CB ARG A 41 2.453 -2.762 -16.678 1.00 0.00 C ATOM 631 CG ARG A 41 2.167 -1.273 -16.573 1.00 0.00 C ATOM 632 CD ARG A 41 3.423 -0.447 -16.803 1.00 0.00 C ATOM 633 NE ARG A 41 3.915 -0.569 -18.173 1.00 0.00 N ATOM 634 CZ ARG A 41 5.175 -0.340 -18.524 1.00 0.00 C ATOM 635 NH1 ARG A 41 6.066 0.021 -17.611 1.00 0.00 N ATOM 636 NH2 ARG A 41 5.547 -0.471 -19.791 1.00 0.00 N ATOM 0 H ARG A 41 1.602 -3.934 -14.618 1.00 0.00 H new ATOM 0 HA ARG A 41 0.371 -3.080 -17.108 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.104 -3.057 -15.855 1.00 0.00 H new ATOM 0 HB3 ARG A 41 2.999 -2.954 -17.602 1.00 0.00 H new ATOM 0 HG2 ARG A 41 1.408 -0.995 -17.304 1.00 0.00 H new ATOM 0 HG3 ARG A 41 1.758 -1.049 -15.588 1.00 0.00 H new ATOM 0 HD2 ARG A 41 3.213 0.600 -16.585 1.00 0.00 H new ATOM 0 HD3 ARG A 41 4.200 -0.768 -16.109 1.00 0.00 H new ATOM 0 HE ARG A 41 3.255 -0.845 -18.900 1.00 0.00 H new ATOM 0 HH11 ARG A 41 5.784 0.123 -16.636 1.00 0.00 H new ATOM 0 HH12 ARG A 41 7.033 0.196 -17.884 1.00 0.00 H new ATOM 0 HH21 ARG A 41 4.865 -0.748 -20.497 1.00 0.00 H new ATOM 0 HH22 ARG A 41 6.515 -0.295 -20.059 1.00 0.00 H new ATOM 650 N ASN A 42 2.140 -5.856 -16.860 1.00 0.00 N ATOM 651 CA ASN A 42 2.434 -7.122 -17.522 1.00 0.00 C ATOM 652 C ASN A 42 1.235 -8.062 -17.457 1.00 0.00 C ATOM 653 O ASN A 42 0.667 -8.433 -18.484 1.00 0.00 O ATOM 654 CB ASN A 42 3.653 -7.786 -16.879 1.00 0.00 C ATOM 655 CG ASN A 42 4.940 -7.040 -17.171 1.00 0.00 C ATOM 656 OD1 ASN A 42 4.940 -5.820 -17.337 1.00 0.00 O ATOM 657 ND2 ASN A 42 6.047 -7.771 -17.235 1.00 0.00 N ATOM 0 H ASN A 42 2.524 -5.773 -15.919 1.00 0.00 H new ATOM 0 HA ASN A 42 2.652 -6.914 -18.569 1.00 0.00 H new ATOM 0 HB2 ASN A 42 3.506 -7.842 -15.800 1.00 0.00 H new ATOM 0 HB3 ASN A 42 3.739 -8.810 -17.243 1.00 0.00 H new ATOM 0 HD21 ASN A 42 6.943 -7.324 -17.428 1.00 0.00 H new ATOM 0 HD22 ASN A 42 6.001 -8.780 -17.091 1.00 0.00 H new ATOM 664 N ASN A 43 0.854 -8.442 -16.242 1.00 0.00 N ATOM 665 CA ASN A 43 -0.279 -9.339 -16.042 1.00 0.00 C ATOM 666 C ASN A 43 -0.702 -9.362 -14.576 1.00 0.00 C ATOM 667 O ASN A 43 0.008 -8.858 -13.706 1.00 0.00 O ATOM 668 CB ASN A 43 0.076 -10.754 -16.504 1.00 0.00 C ATOM 669 CG ASN A 43 1.141 -11.396 -15.636 1.00 0.00 C ATOM 670 OD1 ASN A 43 2.073 -10.731 -15.184 1.00 0.00 O ATOM 671 ND2 ASN A 43 1.007 -12.695 -15.399 1.00 0.00 N ATOM 0 H ASN A 43 1.313 -8.143 -15.381 1.00 0.00 H new ATOM 0 HA ASN A 43 -1.114 -8.968 -16.637 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -0.821 -11.373 -16.491 1.00 0.00 H new ATOM 0 HB3 ASN A 43 0.425 -10.719 -17.536 1.00 0.00 H new ATOM 0 HD21 ASN A 43 1.693 -13.181 -14.822 1.00 0.00 H new ATOM 0 HD22 ASN A 43 0.218 -13.207 -15.794 1.00 0.00 H new ATOM 678 N SER A 44 -1.864 -9.952 -14.311 1.00 0.00 N ATOM 679 CA SER A 44 -2.384 -10.038 -12.951 1.00 0.00 C ATOM 680 C SER A 44 -2.352 -11.478 -12.448 1.00 0.00 C ATOM 681 O SER A 44 -3.340 -12.206 -12.553 1.00 0.00 O ATOM 682 CB SER A 44 -3.814 -9.497 -12.894 1.00 0.00 C ATOM 683 OG SER A 44 -3.820 -8.083 -12.808 1.00 0.00 O ATOM 0 H SER A 44 -2.462 -10.377 -15.019 1.00 0.00 H new ATOM 0 HA SER A 44 -1.748 -9.432 -12.306 1.00 0.00 H new ATOM 0 HB2 SER A 44 -4.362 -9.813 -13.782 1.00 0.00 H new ATOM 0 HB3 SER A 44 -4.332 -9.919 -12.033 1.00 0.00 H new ATOM 0 HG SER A 44 -3.317 -7.707 -13.561 1.00 0.00 H new ATOM 689 N HIS A 45 -1.210 -11.883 -11.902 1.00 0.00 N ATOM 690 CA HIS A 45 -1.049 -13.236 -11.381 1.00 0.00 C ATOM 691 C HIS A 45 -1.556 -13.330 -9.945 1.00 0.00 C ATOM 692 O HIS A 45 -2.566 -13.978 -9.674 1.00 0.00 O ATOM 693 CB HIS A 45 0.419 -13.658 -11.445 1.00 0.00 C ATOM 694 CG HIS A 45 0.683 -15.003 -10.841 1.00 0.00 C ATOM 695 ND1 HIS A 45 0.257 -16.182 -11.416 1.00 0.00 N ATOM 696 CD2 HIS A 45 1.335 -15.353 -9.708 1.00 0.00 C ATOM 697 CE1 HIS A 45 0.634 -17.198 -10.661 1.00 0.00 C ATOM 698 NE2 HIS A 45 1.290 -16.722 -9.618 1.00 0.00 N ATOM 0 H HIS A 45 -0.383 -11.294 -11.809 1.00 0.00 H new ATOM 0 HA HIS A 45 -1.640 -13.910 -12.001 1.00 0.00 H new ATOM 0 HB2 HIS A 45 0.741 -13.667 -12.486 1.00 0.00 H new ATOM 0 HB3 HIS A 45 1.025 -12.913 -10.931 1.00 0.00 H new ATOM 0 HD2 HIS A 45 1.804 -14.680 -9.005 1.00 0.00 H new ATOM 0 HE1 HIS A 45 0.439 -18.241 -10.862 1.00 0.00 H new ATOM 0 HE2 HIS A 45 1.697 -17.281 -8.868 1.00 0.00 H new ATOM 706 N VAL A 46 -0.847 -12.679 -9.029 1.00 0.00 N ATOM 707 CA VAL A 46 -1.225 -12.689 -7.621 1.00 0.00 C ATOM 708 C VAL A 46 -2.566 -11.996 -7.407 1.00 0.00 C ATOM 709 O VAL A 46 -2.941 -11.102 -8.163 1.00 0.00 O ATOM 710 CB VAL A 46 -0.159 -11.999 -6.748 1.00 0.00 C ATOM 711 CG1 VAL A 46 0.050 -10.561 -7.197 1.00 0.00 C ATOM 712 CG2 VAL A 46 -0.553 -12.057 -5.280 1.00 0.00 C ATOM 0 H VAL A 46 -0.008 -12.138 -9.237 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.307 -13.734 -7.323 1.00 0.00 H new ATOM 0 HB VAL A 46 0.784 -12.532 -6.868 1.00 0.00 H new ATOM 0 HG11 VAL A 46 0.806 -10.090 -6.569 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.382 -10.549 -8.235 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.888 -10.012 -7.109 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.211 -11.565 -4.678 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -1.508 -11.550 -5.139 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -0.645 -13.098 -4.969 1.00 0.00 H new ATOM 722 N ASN A 47 -3.284 -12.416 -6.370 1.00 0.00 N ATOM 723 CA ASN A 47 -4.585 -11.836 -6.056 1.00 0.00 C ATOM 724 C ASN A 47 -4.435 -10.399 -5.565 1.00 0.00 C ATOM 725 O ASN A 47 -3.871 -10.153 -4.498 1.00 0.00 O ATOM 726 CB ASN A 47 -5.299 -12.677 -4.997 1.00 0.00 C ATOM 727 CG ASN A 47 -6.153 -13.771 -5.608 1.00 0.00 C ATOM 728 OD1 ASN A 47 -6.039 -14.074 -6.796 1.00 0.00 O ATOM 729 ND2 ASN A 47 -7.017 -14.371 -4.796 1.00 0.00 N ATOM 0 H ASN A 47 -2.987 -13.155 -5.733 1.00 0.00 H new ATOM 0 HA ASN A 47 -5.182 -11.829 -6.968 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -4.560 -13.125 -4.333 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -5.926 -12.029 -4.385 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -7.619 -15.114 -5.151 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -7.078 -14.088 -3.818 1.00 0.00 H new ATOM 736 N ARG A 48 -4.945 -9.455 -6.349 1.00 0.00 N ATOM 737 CA ARG A 48 -4.868 -8.043 -5.994 1.00 0.00 C ATOM 738 C ARG A 48 -5.530 -7.785 -4.644 1.00 0.00 C ATOM 739 O ARG A 48 -4.926 -7.196 -3.748 1.00 0.00 O ATOM 740 CB ARG A 48 -5.533 -7.187 -7.073 1.00 0.00 C ATOM 741 CG ARG A 48 -7.018 -7.466 -7.242 1.00 0.00 C ATOM 742 CD ARG A 48 -7.522 -6.998 -8.598 1.00 0.00 C ATOM 743 NE ARG A 48 -7.130 -7.907 -9.672 1.00 0.00 N ATOM 744 CZ ARG A 48 -7.701 -7.918 -10.871 1.00 0.00 C ATOM 745 NH1 ARG A 48 -8.683 -7.072 -11.148 1.00 0.00 N ATOM 746 NH2 ARG A 48 -7.289 -8.775 -11.796 1.00 0.00 N ATOM 0 H ARG A 48 -5.416 -9.642 -7.234 1.00 0.00 H new ATOM 0 HA ARG A 48 -3.815 -7.769 -5.921 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -5.395 -6.134 -6.826 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -5.029 -7.360 -8.024 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -7.203 -8.535 -7.133 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -7.576 -6.963 -6.452 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -8.609 -6.915 -8.572 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -7.131 -6.002 -8.806 1.00 0.00 H new ATOM 0 HE ARG A 48 -6.376 -8.570 -9.491 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -9.002 -6.411 -10.440 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -9.120 -7.082 -12.070 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -6.533 -9.427 -11.587 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -7.729 -8.782 -12.716 1.00 0.00 H new ATOM 760 N GLU A 49 -6.775 -8.230 -4.507 1.00 0.00 N ATOM 761 CA GLU A 49 -7.520 -8.045 -3.266 1.00 0.00 C ATOM 762 C GLU A 49 -6.612 -8.233 -2.054 1.00 0.00 C ATOM 763 O GLU A 49 -6.603 -7.410 -1.139 1.00 0.00 O ATOM 764 CB GLU A 49 -8.691 -9.027 -3.197 1.00 0.00 C ATOM 765 CG GLU A 49 -9.727 -8.816 -4.289 1.00 0.00 C ATOM 766 CD GLU A 49 -11.025 -9.548 -4.009 1.00 0.00 C ATOM 767 OE1 GLU A 49 -10.966 -10.720 -3.582 1.00 0.00 O ATOM 768 OE2 GLU A 49 -12.101 -8.949 -4.218 1.00 0.00 O ATOM 0 H GLU A 49 -7.289 -8.721 -5.239 1.00 0.00 H new ATOM 0 HA GLU A 49 -7.908 -7.027 -3.253 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.306 -10.044 -3.265 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.176 -8.934 -2.225 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -9.930 -7.750 -4.391 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -9.320 -9.156 -5.241 1.00 0.00 H new ATOM 775 N GLU A 50 -5.850 -9.323 -2.056 1.00 0.00 N ATOM 776 CA GLU A 50 -4.940 -9.620 -0.956 1.00 0.00 C ATOM 777 C GLU A 50 -3.944 -8.482 -0.752 1.00 0.00 C ATOM 778 O GLU A 50 -3.871 -7.891 0.325 1.00 0.00 O ATOM 779 CB GLU A 50 -4.191 -10.927 -1.222 1.00 0.00 C ATOM 780 CG GLU A 50 -4.920 -12.160 -0.715 1.00 0.00 C ATOM 781 CD GLU A 50 -4.333 -13.449 -1.258 1.00 0.00 C ATOM 782 OE1 GLU A 50 -3.678 -13.400 -2.320 1.00 0.00 O ATOM 783 OE2 GLU A 50 -4.530 -14.505 -0.621 1.00 0.00 O ATOM 0 H GLU A 50 -5.845 -10.014 -2.806 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.533 -9.729 -0.048 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.025 -11.029 -2.294 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.210 -10.876 -0.751 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.882 -12.178 0.374 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -5.971 -12.097 -0.996 1.00 0.00 H new ATOM 790 N VAL A 51 -3.176 -8.182 -1.795 1.00 0.00 N ATOM 791 CA VAL A 51 -2.184 -7.115 -1.732 1.00 0.00 C ATOM 792 C VAL A 51 -2.798 -5.823 -1.205 1.00 0.00 C ATOM 793 O VAL A 51 -2.355 -5.282 -0.191 1.00 0.00 O ATOM 794 CB VAL A 51 -1.560 -6.847 -3.115 1.00 0.00 C ATOM 795 CG1 VAL A 51 -0.488 -5.772 -3.018 1.00 0.00 C ATOM 796 CG2 VAL A 51 -0.989 -8.130 -3.699 1.00 0.00 C ATOM 0 H VAL A 51 -3.222 -8.663 -2.693 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.404 -7.448 -1.047 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.342 -6.487 -3.784 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.059 -5.596 -4.004 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -0.931 -4.849 -2.645 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.295 -6.100 -2.335 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -0.552 -7.922 -4.676 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -0.220 -8.522 -3.034 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.785 -8.867 -3.807 1.00 0.00 H new ATOM 806 N ILE A 52 -3.821 -5.335 -1.898 1.00 0.00 N ATOM 807 CA ILE A 52 -4.497 -4.107 -1.499 1.00 0.00 C ATOM 808 C ILE A 52 -5.047 -4.219 -0.081 1.00 0.00 C ATOM 809 O ILE A 52 -4.552 -3.572 0.841 1.00 0.00 O ATOM 810 CB ILE A 52 -5.650 -3.761 -2.459 1.00 0.00 C ATOM 811 CG1 ILE A 52 -5.132 -3.657 -3.895 1.00 0.00 C ATOM 812 CG2 ILE A 52 -6.319 -2.462 -2.037 1.00 0.00 C ATOM 813 CD1 ILE A 52 -6.233 -3.592 -4.931 1.00 0.00 C ATOM 0 H ILE A 52 -4.200 -5.771 -2.739 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.753 -3.311 -1.536 1.00 0.00 H new ATOM 0 HB ILE A 52 -6.391 -4.559 -2.416 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.507 -2.768 -3.984 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -4.496 -4.516 -4.106 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -7.132 -2.231 -2.725 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -6.717 -2.569 -1.028 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -5.588 -1.654 -2.055 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -5.793 -3.519 -5.926 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -6.844 -4.492 -4.869 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.856 -2.717 -4.745 1.00 0.00 H new ATOM 825 N ARG A 53 -6.074 -5.046 0.085 1.00 0.00 N ATOM 826 CA ARG A 53 -6.692 -5.244 1.391 1.00 0.00 C ATOM 827 C ARG A 53 -5.640 -5.244 2.496 1.00 0.00 C ATOM 828 O ARG A 53 -5.698 -4.433 3.420 1.00 0.00 O ATOM 829 CB ARG A 53 -7.473 -6.560 1.415 1.00 0.00 C ATOM 830 CG ARG A 53 -8.711 -6.550 0.533 1.00 0.00 C ATOM 831 CD ARG A 53 -9.804 -5.670 1.118 1.00 0.00 C ATOM 832 NE ARG A 53 -10.525 -6.337 2.198 1.00 0.00 N ATOM 833 CZ ARG A 53 -11.341 -7.369 2.009 1.00 0.00 C ATOM 834 NH1 ARG A 53 -11.537 -7.848 0.789 1.00 0.00 N ATOM 835 NH2 ARG A 53 -11.962 -7.923 3.043 1.00 0.00 N ATOM 0 H ARG A 53 -6.496 -5.590 -0.668 1.00 0.00 H new ATOM 0 HA ARG A 53 -7.380 -4.418 1.569 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.816 -7.369 1.095 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -7.770 -6.778 2.441 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -8.447 -6.192 -0.462 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -9.085 -7.567 0.417 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -9.364 -4.746 1.493 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -10.506 -5.392 0.331 1.00 0.00 H new ATOM 0 HE ARG A 53 -10.396 -5.992 3.149 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -11.061 -7.425 -0.008 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -12.164 -8.640 0.647 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -11.813 -7.557 3.983 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -12.588 -8.715 2.897 1.00 0.00 H new ATOM 849 N GLU A 54 -4.681 -6.158 2.393 1.00 0.00 N ATOM 850 CA GLU A 54 -3.617 -6.263 3.385 1.00 0.00 C ATOM 851 C GLU A 54 -2.886 -4.933 3.542 1.00 0.00 C ATOM 852 O GLU A 54 -2.882 -4.337 4.620 1.00 0.00 O ATOM 853 CB GLU A 54 -2.625 -7.359 2.988 1.00 0.00 C ATOM 854 CG GLU A 54 -1.959 -8.036 4.173 1.00 0.00 C ATOM 855 CD GLU A 54 -1.584 -7.057 5.269 1.00 0.00 C ATOM 856 OE1 GLU A 54 -2.503 -6.464 5.874 1.00 0.00 O ATOM 857 OE2 GLU A 54 -0.374 -6.884 5.522 1.00 0.00 O ATOM 0 H GLU A 54 -4.619 -6.836 1.634 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.071 -6.523 4.341 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -3.146 -8.112 2.396 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.856 -6.927 2.348 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.631 -8.791 4.580 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.063 -8.556 3.833 1.00 0.00 H new ATOM 864 N LEU A 55 -2.269 -4.472 2.460 1.00 0.00 N ATOM 865 CA LEU A 55 -1.534 -3.213 2.476 1.00 0.00 C ATOM 866 C LEU A 55 -2.223 -2.191 3.375 1.00 0.00 C ATOM 867 O LEU A 55 -1.571 -1.492 4.150 1.00 0.00 O ATOM 868 CB LEU A 55 -1.406 -2.656 1.057 1.00 0.00 C ATOM 869 CG LEU A 55 -0.190 -3.126 0.258 1.00 0.00 C ATOM 870 CD1 LEU A 55 -0.405 -2.892 -1.229 1.00 0.00 C ATOM 871 CD2 LEU A 55 1.069 -2.416 0.735 1.00 0.00 C ATOM 0 H LEU A 55 -2.263 -4.952 1.560 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.538 -3.408 2.875 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.305 -2.922 0.501 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.378 -1.568 1.117 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.064 -4.196 0.422 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.471 -3.233 -1.781 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.282 -3.447 -1.562 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.558 -1.828 -1.412 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.924 -2.763 0.155 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.953 -1.340 0.602 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.233 -2.635 1.790 1.00 0.00 H new ATOM 883 N ALA A 56 -3.545 -2.113 3.268 1.00 0.00 N ATOM 884 CA ALA A 56 -4.324 -1.181 4.074 1.00 0.00 C ATOM 885 C ALA A 56 -4.269 -1.555 5.551 1.00 0.00 C ATOM 886 O ALA A 56 -4.112 -0.693 6.415 1.00 0.00 O ATOM 887 CB ALA A 56 -5.766 -1.142 3.591 1.00 0.00 C ATOM 0 H ALA A 56 -4.100 -2.684 2.631 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.888 -0.189 3.960 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -6.336 -0.442 4.202 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.792 -0.820 2.550 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.205 -2.136 3.674 1.00 0.00 H new ATOM 893 N GLY A 57 -4.401 -2.847 5.836 1.00 0.00 N ATOM 894 CA GLY A 57 -4.365 -3.312 7.210 1.00 0.00 C ATOM 895 C GLY A 57 -3.090 -2.910 7.925 1.00 0.00 C ATOM 896 O GLY A 57 -3.079 -2.750 9.146 1.00 0.00 O ATOM 0 H GLY A 57 -4.532 -3.580 5.139 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -5.223 -2.909 7.749 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.460 -4.398 7.225 1.00 0.00 H new ATOM 900 N ILE A 58 -2.013 -2.747 7.164 1.00 0.00 N ATOM 901 CA ILE A 58 -0.728 -2.362 7.733 1.00 0.00 C ATOM 902 C ILE A 58 -0.695 -0.872 8.059 1.00 0.00 C ATOM 903 O ILE A 58 -0.446 -0.481 9.199 1.00 0.00 O ATOM 904 CB ILE A 58 0.433 -2.691 6.776 1.00 0.00 C ATOM 905 CG1 ILE A 58 0.358 -4.153 6.331 1.00 0.00 C ATOM 906 CG2 ILE A 58 1.769 -2.403 7.444 1.00 0.00 C ATOM 907 CD1 ILE A 58 1.111 -4.436 5.050 1.00 0.00 C ATOM 0 H ILE A 58 -2.005 -2.876 6.152 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.606 -2.936 8.651 1.00 0.00 H new ATOM 0 HB ILE A 58 0.347 -2.057 5.893 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.756 -4.786 7.124 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.688 -4.430 6.197 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.579 -2.641 6.755 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.821 -1.348 7.715 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.866 -3.013 8.342 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.014 -5.492 4.796 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.698 -3.829 4.244 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.164 -4.191 5.186 1.00 0.00 H new ATOM 919 N VAL A 59 -0.952 -0.045 7.051 1.00 0.00 N ATOM 920 CA VAL A 59 -0.955 1.402 7.230 1.00 0.00 C ATOM 921 C VAL A 59 -1.575 1.788 8.569 1.00 0.00 C ATOM 922 O VAL A 59 -1.175 2.774 9.188 1.00 0.00 O ATOM 923 CB VAL A 59 -1.725 2.106 6.098 1.00 0.00 C ATOM 924 CG1 VAL A 59 -1.808 3.602 6.359 1.00 0.00 C ATOM 925 CG2 VAL A 59 -1.070 1.826 4.754 1.00 0.00 C ATOM 0 H VAL A 59 -1.161 -0.353 6.101 1.00 0.00 H new ATOM 0 HA VAL A 59 0.085 1.726 7.207 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.740 1.710 6.071 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.356 4.083 5.548 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.326 3.779 7.302 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.802 4.018 6.414 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.627 2.331 3.965 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.044 2.193 4.766 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.069 0.752 4.567 1.00 0.00 H new ATOM 935 N CYS A 60 -2.553 1.004 9.009 1.00 0.00 N ATOM 936 CA CYS A 60 -3.230 1.264 10.275 1.00 0.00 C ATOM 937 C CYS A 60 -2.321 0.933 11.455 1.00 0.00 C ATOM 938 O CYS A 60 -2.169 1.732 12.379 1.00 0.00 O ATOM 939 CB CYS A 60 -4.520 0.447 10.364 1.00 0.00 C ATOM 940 SG CYS A 60 -5.970 1.282 9.680 1.00 0.00 S ATOM 0 H CYS A 60 -2.895 0.184 8.508 1.00 0.00 H new ATOM 0 HA CYS A 60 -3.477 2.325 10.316 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -4.376 -0.497 9.839 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -4.713 0.205 11.409 1.00 0.00 H new ATOM 0 HG CYS A 60 -5.852 2.565 9.850 1.00 0.00 H new ATOM 946 N THR A 61 -1.720 -0.253 11.418 1.00 0.00 N ATOM 947 CA THR A 61 -0.829 -0.691 12.485 1.00 0.00 C ATOM 948 C THR A 61 0.165 0.403 12.855 1.00 0.00 C ATOM 949 O THR A 61 0.570 0.523 14.012 1.00 0.00 O ATOM 950 CB THR A 61 -0.053 -1.960 12.083 1.00 0.00 C ATOM 951 OG1 THR A 61 0.257 -2.734 13.247 1.00 0.00 O ATOM 952 CG2 THR A 61 1.230 -1.600 11.350 1.00 0.00 C ATOM 0 H THR A 61 -1.834 -0.927 10.661 1.00 0.00 H new ATOM 0 HA THR A 61 -1.456 -0.915 13.348 1.00 0.00 H new ATOM 0 HB THR A 61 -0.682 -2.547 11.414 1.00 0.00 H new ATOM 0 HG1 THR A 61 0.749 -3.539 12.983 1.00 0.00 H new ATOM 0 HG21 THR A 61 1.761 -2.512 11.076 1.00 0.00 H new ATOM 0 HG22 THR A 61 0.988 -1.036 10.449 1.00 0.00 H new ATOM 0 HG23 THR A 61 1.862 -0.993 11.999 1.00 0.00 H new ATOM 960 N LEU A 62 0.556 1.200 11.867 1.00 0.00 N ATOM 961 CA LEU A 62 1.504 2.286 12.089 1.00 0.00 C ATOM 962 C LEU A 62 0.891 3.373 12.967 1.00 0.00 C ATOM 963 O LEU A 62 1.299 3.564 14.112 1.00 0.00 O ATOM 964 CB LEU A 62 1.947 2.884 10.753 1.00 0.00 C ATOM 965 CG LEU A 62 2.549 1.904 9.745 1.00 0.00 C ATOM 966 CD1 LEU A 62 2.586 2.521 8.356 1.00 0.00 C ATOM 967 CD2 LEU A 62 3.944 1.481 10.181 1.00 0.00 C ATOM 0 H LEU A 62 0.231 1.115 10.904 1.00 0.00 H new ATOM 0 HA LEU A 62 2.374 1.876 12.603 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.086 3.366 10.291 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.681 3.665 10.953 1.00 0.00 H new ATOM 0 HG LEU A 62 1.917 1.017 9.708 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.018 1.809 7.653 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.573 2.772 8.042 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.194 3.425 8.376 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.357 0.784 9.452 1.00 0.00 H new ATOM 0 HD22 LEU A 62 4.586 2.359 10.248 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.889 0.997 11.156 1.00 0.00 H new ATOM 979 N ASN A 63 -0.094 4.081 12.422 1.00 0.00 N ATOM 980 CA ASN A 63 -0.765 5.147 13.156 1.00 0.00 C ATOM 981 C ASN A 63 -2.277 4.950 13.142 1.00 0.00 C ATOM 982 O ASN A 63 -2.885 4.811 12.080 1.00 0.00 O ATOM 983 CB ASN A 63 -0.411 6.510 12.556 1.00 0.00 C ATOM 984 CG ASN A 63 -0.435 7.620 13.588 1.00 0.00 C ATOM 985 OD1 ASN A 63 -1.091 7.508 14.623 1.00 0.00 O ATOM 986 ND2 ASN A 63 0.284 8.702 13.309 1.00 0.00 N ATOM 0 H ASN A 63 -0.444 3.935 11.475 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.422 5.113 14.190 1.00 0.00 H new ATOM 0 HB2 ASN A 63 0.580 6.459 12.105 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -1.114 6.746 11.757 1.00 0.00 H new ATOM 0 HD21 ASN A 63 0.307 9.482 13.965 1.00 0.00 H new ATOM 0 HD22 ASN A 63 0.813 8.752 12.438 1.00 0.00 H new ATOM 993 N SER A 64 -2.879 4.939 14.327 1.00 0.00 N ATOM 994 CA SER A 64 -4.320 4.756 14.451 1.00 0.00 C ATOM 995 C SER A 64 -5.074 5.841 13.689 1.00 0.00 C ATOM 996 O SER A 64 -6.191 5.624 13.221 1.00 0.00 O ATOM 997 CB SER A 64 -4.733 4.771 15.924 1.00 0.00 C ATOM 998 OG SER A 64 -4.402 3.548 16.559 1.00 0.00 O ATOM 0 H SER A 64 -2.391 5.055 15.215 1.00 0.00 H new ATOM 0 HA SER A 64 -4.576 3.789 14.019 1.00 0.00 H new ATOM 0 HB2 SER A 64 -4.237 5.596 16.436 1.00 0.00 H new ATOM 0 HB3 SER A 64 -5.806 4.946 16.002 1.00 0.00 H new ATOM 0 HG SER A 64 -4.675 3.584 17.500 1.00 0.00 H new ATOM 1004 N GLU A 65 -4.453 7.011 13.568 1.00 0.00 N ATOM 1005 CA GLU A 65 -5.065 8.131 12.863 1.00 0.00 C ATOM 1006 C GLU A 65 -5.162 7.846 11.368 1.00 0.00 C ATOM 1007 O GLU A 65 -5.919 8.496 10.649 1.00 0.00 O ATOM 1008 CB GLU A 65 -4.260 9.411 13.098 1.00 0.00 C ATOM 1009 CG GLU A 65 -4.259 9.872 14.546 1.00 0.00 C ATOM 1010 CD GLU A 65 -5.410 10.808 14.862 1.00 0.00 C ATOM 1011 OE1 GLU A 65 -6.516 10.588 14.325 1.00 0.00 O ATOM 1012 OE2 GLU A 65 -5.204 11.759 15.644 1.00 0.00 O ATOM 0 H GLU A 65 -3.527 7.207 13.949 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.073 8.266 13.255 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.231 9.247 12.777 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -4.667 10.206 12.473 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -4.313 9.002 15.200 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -3.317 10.375 14.762 1.00 0.00 H new ATOM 1019 N ASN A 66 -4.388 6.868 10.906 1.00 0.00 N ATOM 1020 CA ASN A 66 -4.385 6.497 9.496 1.00 0.00 C ATOM 1021 C ASN A 66 -5.702 5.832 9.106 1.00 0.00 C ATOM 1022 O ASN A 66 -6.154 4.892 9.760 1.00 0.00 O ATOM 1023 CB ASN A 66 -3.218 5.554 9.198 1.00 0.00 C ATOM 1024 CG ASN A 66 -1.871 6.203 9.455 1.00 0.00 C ATOM 1025 OD1 ASN A 66 -1.723 7.419 9.338 1.00 0.00 O ATOM 1026 ND2 ASN A 66 -0.881 5.391 9.806 1.00 0.00 N ATOM 0 H ASN A 66 -3.755 6.319 11.488 1.00 0.00 H new ATOM 0 HA ASN A 66 -4.269 7.407 8.907 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -3.311 4.659 9.814 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -3.271 5.232 8.158 1.00 0.00 H new ATOM 0 HD21 ASN A 66 0.048 5.770 9.991 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -1.049 4.389 9.891 1.00 0.00 H new ATOM 1033 N LYS A 67 -6.314 6.327 8.035 1.00 0.00 N ATOM 1034 CA LYS A 67 -7.578 5.782 7.555 1.00 0.00 C ATOM 1035 C LYS A 67 -7.648 5.830 6.032 1.00 0.00 C ATOM 1036 O LYS A 67 -7.811 6.898 5.442 1.00 0.00 O ATOM 1037 CB LYS A 67 -8.753 6.558 8.155 1.00 0.00 C ATOM 1038 CG LYS A 67 -9.164 6.070 9.534 1.00 0.00 C ATOM 1039 CD LYS A 67 -8.438 6.828 10.632 1.00 0.00 C ATOM 1040 CE LYS A 67 -8.851 6.340 12.012 1.00 0.00 C ATOM 1041 NZ LYS A 67 -8.771 7.423 13.031 1.00 0.00 N ATOM 0 H LYS A 67 -5.954 7.105 7.483 1.00 0.00 H new ATOM 0 HA LYS A 67 -7.639 4.741 7.871 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.487 7.613 8.217 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -9.608 6.484 7.483 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -10.240 6.190 9.658 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -8.950 5.005 9.623 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -7.362 6.707 10.509 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -8.651 7.893 10.543 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -9.870 5.955 11.971 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -8.209 5.512 12.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -8.359 7.045 13.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -8.172 8.194 12.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -9.725 7.788 13.226 1.00 0.00 H new ATOM 1055 N VAL A 68 -7.525 4.666 5.402 1.00 0.00 N ATOM 1056 CA VAL A 68 -7.577 4.575 3.947 1.00 0.00 C ATOM 1057 C VAL A 68 -8.904 5.100 3.411 1.00 0.00 C ATOM 1058 O VAL A 68 -9.967 4.559 3.717 1.00 0.00 O ATOM 1059 CB VAL A 68 -7.380 3.125 3.468 1.00 0.00 C ATOM 1060 CG1 VAL A 68 -8.389 2.201 4.133 1.00 0.00 C ATOM 1061 CG2 VAL A 68 -7.490 3.045 1.953 1.00 0.00 C ATOM 0 H VAL A 68 -7.389 3.773 5.876 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.764 5.190 3.562 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.380 2.799 3.755 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.234 1.181 3.782 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.258 2.237 5.214 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -9.399 2.523 3.879 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -7.348 2.013 1.632 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -8.476 3.390 1.641 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -6.725 3.675 1.499 1.00 0.00 H new ATOM 1071 N ASP A 69 -8.836 6.157 2.609 1.00 0.00 N ATOM 1072 CA ASP A 69 -10.032 6.755 2.028 1.00 0.00 C ATOM 1073 C ASP A 69 -9.978 6.708 0.504 1.00 0.00 C ATOM 1074 O ASP A 69 -8.905 6.806 -0.093 1.00 0.00 O ATOM 1075 CB ASP A 69 -10.186 8.202 2.501 1.00 0.00 C ATOM 1076 CG ASP A 69 -11.635 8.648 2.537 1.00 0.00 C ATOM 1077 OD1 ASP A 69 -12.470 7.905 3.094 1.00 0.00 O ATOM 1078 OD2 ASP A 69 -11.933 9.739 2.008 1.00 0.00 O ATOM 0 H ASP A 69 -7.965 6.617 2.346 1.00 0.00 H new ATOM 0 HA ASP A 69 -10.895 6.178 2.361 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -9.753 8.304 3.496 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -9.623 8.860 1.839 1.00 0.00 H new ATOM 1083 N LEU A 70 -11.141 6.556 -0.119 1.00 0.00 N ATOM 1084 CA LEU A 70 -11.227 6.494 -1.574 1.00 0.00 C ATOM 1085 C LEU A 70 -11.951 7.717 -2.129 1.00 0.00 C ATOM 1086 O LEU A 70 -12.186 7.819 -3.334 1.00 0.00 O ATOM 1087 CB LEU A 70 -11.949 5.218 -2.009 1.00 0.00 C ATOM 1088 CG LEU A 70 -11.349 3.904 -1.508 1.00 0.00 C ATOM 1089 CD1 LEU A 70 -12.238 2.731 -1.892 1.00 0.00 C ATOM 1090 CD2 LEU A 70 -9.944 3.714 -2.059 1.00 0.00 C ATOM 0 H LEU A 70 -12.038 6.473 0.360 1.00 0.00 H new ATOM 0 HA LEU A 70 -10.213 6.483 -1.973 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -12.983 5.275 -1.669 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -11.973 5.191 -3.098 1.00 0.00 H new ATOM 0 HG LEU A 70 -11.288 3.946 -0.421 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -11.795 1.804 -1.527 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -13.225 2.861 -1.447 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -12.332 2.686 -2.977 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -9.533 2.774 -1.692 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -9.980 3.693 -3.148 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -9.311 4.539 -1.733 1.00 0.00 H new ATOM 1102 N THR A 71 -12.302 8.644 -1.243 1.00 0.00 N ATOM 1103 CA THR A 71 -12.998 9.859 -1.644 1.00 0.00 C ATOM 1104 C THR A 71 -12.088 11.077 -1.531 1.00 0.00 C ATOM 1105 O THR A 71 -11.865 11.790 -2.508 1.00 0.00 O ATOM 1106 CB THR A 71 -14.258 10.093 -0.788 1.00 0.00 C ATOM 1107 OG1 THR A 71 -15.072 8.915 -0.783 1.00 0.00 O ATOM 1108 CG2 THR A 71 -15.062 11.270 -1.320 1.00 0.00 C ATOM 0 H THR A 71 -12.115 8.576 -0.243 1.00 0.00 H new ATOM 0 HA THR A 71 -13.294 9.725 -2.685 1.00 0.00 H new ATOM 0 HB THR A 71 -13.942 10.320 0.230 1.00 0.00 H new ATOM 0 HG1 THR A 71 -15.870 9.071 -0.236 1.00 0.00 H new ATOM 0 HG21 THR A 71 -15.947 11.416 -0.700 1.00 0.00 H new ATOM 0 HG22 THR A 71 -14.449 12.171 -1.295 1.00 0.00 H new ATOM 0 HG23 THR A 71 -15.368 11.068 -2.346 1.00 0.00 H new ATOM 1116 N ASN A 72 -11.564 11.309 -0.332 1.00 0.00 N ATOM 1117 CA ASN A 72 -10.677 12.442 -0.091 1.00 0.00 C ATOM 1118 C ASN A 72 -9.317 11.970 0.413 1.00 0.00 C ATOM 1119 O ASN A 72 -8.830 12.403 1.458 1.00 0.00 O ATOM 1120 CB ASN A 72 -11.305 13.402 0.921 1.00 0.00 C ATOM 1121 CG ASN A 72 -12.173 14.454 0.259 1.00 0.00 C ATOM 1122 OD1 ASN A 72 -12.193 14.577 -0.966 1.00 0.00 O ATOM 1123 ND2 ASN A 72 -12.895 15.220 1.069 1.00 0.00 N ATOM 0 H ASN A 72 -11.738 10.728 0.488 1.00 0.00 H new ATOM 0 HA ASN A 72 -10.532 12.966 -1.036 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -11.906 12.834 1.632 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -10.516 13.892 1.491 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -13.498 15.946 0.682 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -12.847 15.082 2.078 1.00 0.00 H new ATOM 1130 N PRO A 73 -8.687 11.061 -0.345 1.00 0.00 N ATOM 1131 CA PRO A 73 -7.374 10.511 0.004 1.00 0.00 C ATOM 1132 C PRO A 73 -6.259 11.541 -0.133 1.00 0.00 C ATOM 1133 O PRO A 73 -6.206 12.284 -1.113 1.00 0.00 O ATOM 1134 CB PRO A 73 -7.183 9.378 -1.008 1.00 0.00 C ATOM 1135 CG PRO A 73 -8.027 9.765 -2.173 1.00 0.00 C ATOM 1136 CD PRO A 73 -9.209 10.499 -1.603 1.00 0.00 C ATOM 0 HA PRO A 73 -7.333 10.184 1.043 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -6.136 9.275 -1.294 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -7.496 8.420 -0.593 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.471 10.398 -2.864 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -8.346 8.886 -2.733 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -9.560 11.280 -2.277 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -10.050 9.829 -1.425 1.00 0.00 H new ATOM 1144 N GLN A 74 -5.370 11.580 0.854 1.00 0.00 N ATOM 1145 CA GLN A 74 -4.256 12.521 0.842 1.00 0.00 C ATOM 1146 C GLN A 74 -3.036 11.911 0.160 1.00 0.00 C ATOM 1147 O GLN A 74 -2.308 12.595 -0.560 1.00 0.00 O ATOM 1148 CB GLN A 74 -3.900 12.941 2.270 1.00 0.00 C ATOM 1149 CG GLN A 74 -4.870 13.948 2.867 1.00 0.00 C ATOM 1150 CD GLN A 74 -4.656 15.351 2.335 1.00 0.00 C ATOM 1151 OE1 GLN A 74 -3.636 15.641 1.709 1.00 0.00 O ATOM 1152 NE2 GLN A 74 -5.619 16.231 2.580 1.00 0.00 N ATOM 0 H GLN A 74 -5.399 10.971 1.672 1.00 0.00 H new ATOM 0 HA GLN A 74 -4.563 13.402 0.278 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -3.873 12.055 2.904 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -2.897 13.368 2.275 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -5.891 13.634 2.652 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -4.760 13.954 3.951 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -6.448 15.948 3.103 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -5.530 17.190 2.245 1.00 0.00 H new ATOM 1161 N TYR A 75 -2.818 10.621 0.391 1.00 0.00 N ATOM 1162 CA TYR A 75 -1.684 9.920 -0.199 1.00 0.00 C ATOM 1163 C TYR A 75 -2.148 8.694 -0.980 1.00 0.00 C ATOM 1164 O TYR A 75 -2.782 7.794 -0.428 1.00 0.00 O ATOM 1165 CB TYR A 75 -0.695 9.500 0.890 1.00 0.00 C ATOM 1166 CG TYR A 75 -0.319 10.622 1.832 1.00 0.00 C ATOM 1167 CD1 TYR A 75 0.675 11.533 1.497 1.00 0.00 C ATOM 1168 CD2 TYR A 75 -0.959 10.770 3.056 1.00 0.00 C ATOM 1169 CE1 TYR A 75 1.022 12.558 2.355 1.00 0.00 C ATOM 1170 CE2 TYR A 75 -0.620 11.794 3.920 1.00 0.00 C ATOM 1171 CZ TYR A 75 0.372 12.685 3.565 1.00 0.00 C ATOM 1172 OH TYR A 75 0.713 13.706 4.421 1.00 0.00 O ATOM 0 H TYR A 75 -3.412 10.040 0.983 1.00 0.00 H new ATOM 0 HA TYR A 75 -1.187 10.602 -0.889 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -1.128 8.683 1.467 1.00 0.00 H new ATOM 0 HB3 TYR A 75 0.209 9.114 0.419 1.00 0.00 H new ATOM 0 HD1 TYR A 75 1.185 11.438 0.550 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -1.735 10.073 3.337 1.00 0.00 H new ATOM 0 HE1 TYR A 75 1.798 13.257 2.080 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -1.128 11.896 4.867 1.00 0.00 H new ATOM 0 HH TYR A 75 0.160 13.654 5.228 1.00 0.00 H new ATOM 1182 N THR A 76 -1.828 8.666 -2.270 1.00 0.00 N ATOM 1183 CA THR A 76 -2.211 7.553 -3.128 1.00 0.00 C ATOM 1184 C THR A 76 -1.076 6.543 -3.260 1.00 0.00 C ATOM 1185 O THR A 76 -0.037 6.836 -3.851 1.00 0.00 O ATOM 1186 CB THR A 76 -2.614 8.040 -4.533 1.00 0.00 C ATOM 1187 OG1 THR A 76 -3.757 8.897 -4.445 1.00 0.00 O ATOM 1188 CG2 THR A 76 -2.926 6.863 -5.445 1.00 0.00 C ATOM 0 H THR A 76 -1.304 9.402 -2.743 1.00 0.00 H new ATOM 0 HA THR A 76 -3.069 7.072 -2.657 1.00 0.00 H new ATOM 0 HB THR A 76 -1.776 8.595 -4.955 1.00 0.00 H new ATOM 0 HG1 THR A 76 -4.006 9.203 -5.342 1.00 0.00 H new ATOM 0 HG21 THR A 76 -3.208 7.232 -6.431 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.045 6.228 -5.533 1.00 0.00 H new ATOM 0 HG23 THR A 76 -3.749 6.285 -5.025 1.00 0.00 H new ATOM 1196 N VAL A 77 -1.282 5.353 -2.705 1.00 0.00 N ATOM 1197 CA VAL A 77 -0.276 4.299 -2.761 1.00 0.00 C ATOM 1198 C VAL A 77 -0.617 3.271 -3.834 1.00 0.00 C ATOM 1199 O VAL A 77 -1.461 2.399 -3.628 1.00 0.00 O ATOM 1200 CB VAL A 77 -0.137 3.582 -1.405 1.00 0.00 C ATOM 1201 CG1 VAL A 77 0.835 4.328 -0.504 1.00 0.00 C ATOM 1202 CG2 VAL A 77 -1.496 3.441 -0.736 1.00 0.00 C ATOM 0 H VAL A 77 -2.136 5.095 -2.211 1.00 0.00 H new ATOM 0 HA VAL A 77 0.671 4.779 -3.008 1.00 0.00 H new ATOM 0 HB VAL A 77 0.262 2.583 -1.581 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.920 3.807 0.449 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.813 4.372 -0.982 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.469 5.340 -0.333 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.379 2.932 0.221 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.925 4.429 -0.572 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.159 2.860 -1.377 1.00 0.00 H new ATOM 1212 N VAL A 78 0.045 3.380 -4.982 1.00 0.00 N ATOM 1213 CA VAL A 78 -0.186 2.458 -6.088 1.00 0.00 C ATOM 1214 C VAL A 78 0.880 1.370 -6.129 1.00 0.00 C ATOM 1215 O VAL A 78 2.076 1.654 -6.058 1.00 0.00 O ATOM 1216 CB VAL A 78 -0.202 3.197 -7.439 1.00 0.00 C ATOM 1217 CG1 VAL A 78 -1.056 4.453 -7.352 1.00 0.00 C ATOM 1218 CG2 VAL A 78 1.215 3.535 -7.878 1.00 0.00 C ATOM 0 H VAL A 78 0.745 4.097 -5.170 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.161 2.000 -5.920 1.00 0.00 H new ATOM 0 HB VAL A 78 -0.643 2.539 -8.188 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.055 4.961 -8.316 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.078 4.181 -7.087 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -0.648 5.118 -6.591 1.00 0.00 H new ATOM 0 HG21 VAL A 78 1.185 4.057 -8.834 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.685 4.174 -7.130 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.792 2.616 -7.984 1.00 0.00 H new ATOM 1228 N VAL A 79 0.439 0.121 -6.244 1.00 0.00 N ATOM 1229 CA VAL A 79 1.356 -1.012 -6.296 1.00 0.00 C ATOM 1230 C VAL A 79 1.429 -1.595 -7.703 1.00 0.00 C ATOM 1231 O VAL A 79 0.534 -2.322 -8.131 1.00 0.00 O ATOM 1232 CB VAL A 79 0.934 -2.121 -5.314 1.00 0.00 C ATOM 1233 CG1 VAL A 79 0.960 -1.605 -3.883 1.00 0.00 C ATOM 1234 CG2 VAL A 79 -0.445 -2.653 -5.673 1.00 0.00 C ATOM 0 H VAL A 79 -0.547 -0.132 -6.303 1.00 0.00 H new ATOM 0 HA VAL A 79 2.339 -0.638 -6.009 1.00 0.00 H new ATOM 0 HB VAL A 79 1.647 -2.942 -5.392 1.00 0.00 H new ATOM 0 HG11 VAL A 79 0.659 -2.402 -3.203 1.00 0.00 H new ATOM 0 HG12 VAL A 79 1.969 -1.277 -3.633 1.00 0.00 H new ATOM 0 HG13 VAL A 79 0.271 -0.766 -3.786 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -0.728 -3.436 -4.969 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -1.172 -1.842 -5.625 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -0.425 -3.063 -6.683 1.00 0.00 H new ATOM 1244 N GLU A 80 2.503 -1.270 -8.417 1.00 0.00 N ATOM 1245 CA GLU A 80 2.693 -1.762 -9.776 1.00 0.00 C ATOM 1246 C GLU A 80 3.521 -3.043 -9.780 1.00 0.00 C ATOM 1247 O GLU A 80 4.352 -3.260 -8.898 1.00 0.00 O ATOM 1248 CB GLU A 80 3.376 -0.697 -10.637 1.00 0.00 C ATOM 1249 CG GLU A 80 3.187 -0.908 -12.130 1.00 0.00 C ATOM 1250 CD GLU A 80 1.947 -0.218 -12.664 1.00 0.00 C ATOM 1251 OE1 GLU A 80 1.720 0.956 -12.305 1.00 0.00 O ATOM 1252 OE2 GLU A 80 1.205 -0.853 -13.442 1.00 0.00 O ATOM 0 H GLU A 80 3.254 -0.669 -8.077 1.00 0.00 H new ATOM 0 HA GLU A 80 1.712 -1.983 -10.195 1.00 0.00 H new ATOM 0 HB2 GLU A 80 2.985 0.284 -10.365 1.00 0.00 H new ATOM 0 HB3 GLU A 80 4.442 -0.689 -10.412 1.00 0.00 H new ATOM 0 HG2 GLU A 80 4.063 -0.534 -12.660 1.00 0.00 H new ATOM 0 HG3 GLU A 80 3.121 -1.976 -12.337 1.00 0.00 H new ATOM 1259 N ILE A 81 3.288 -3.889 -10.779 1.00 0.00 N ATOM 1260 CA ILE A 81 4.013 -5.148 -10.898 1.00 0.00 C ATOM 1261 C ILE A 81 5.076 -5.069 -11.988 1.00 0.00 C ATOM 1262 O ILE A 81 4.771 -5.172 -13.176 1.00 0.00 O ATOM 1263 CB ILE A 81 3.061 -6.318 -11.210 1.00 0.00 C ATOM 1264 CG1 ILE A 81 1.950 -6.393 -10.160 1.00 0.00 C ATOM 1265 CG2 ILE A 81 3.832 -7.628 -11.267 1.00 0.00 C ATOM 1266 CD1 ILE A 81 2.463 -6.436 -8.738 1.00 0.00 C ATOM 0 H ILE A 81 2.603 -3.725 -11.517 1.00 0.00 H new ATOM 0 HA ILE A 81 4.494 -5.327 -9.936 1.00 0.00 H new ATOM 0 HB ILE A 81 2.604 -6.146 -12.184 1.00 0.00 H new ATOM 0 HG12 ILE A 81 1.294 -5.530 -10.275 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.345 -7.280 -10.346 1.00 0.00 H new ATOM 0 HG21 ILE A 81 3.145 -8.445 -11.488 1.00 0.00 H new ATOM 0 HG22 ILE A 81 4.591 -7.570 -12.048 1.00 0.00 H new ATOM 0 HG23 ILE A 81 4.313 -7.809 -10.306 1.00 0.00 H new ATOM 0 HD11 ILE A 81 1.620 -6.489 -8.049 1.00 0.00 H new ATOM 0 HD12 ILE A 81 3.095 -7.314 -8.606 1.00 0.00 H new ATOM 0 HD13 ILE A 81 3.044 -5.537 -8.533 1.00 0.00 H new ATOM 1278 N ILE A 82 6.326 -4.886 -11.575 1.00 0.00 N ATOM 1279 CA ILE A 82 7.436 -4.797 -12.516 1.00 0.00 C ATOM 1280 C ILE A 82 8.522 -5.814 -12.184 1.00 0.00 C ATOM 1281 O ILE A 82 8.841 -6.040 -11.017 1.00 0.00 O ATOM 1282 CB ILE A 82 8.054 -3.386 -12.524 1.00 0.00 C ATOM 1283 CG1 ILE A 82 6.993 -2.342 -12.875 1.00 0.00 C ATOM 1284 CG2 ILE A 82 9.213 -3.322 -13.508 1.00 0.00 C ATOM 1285 CD1 ILE A 82 6.257 -1.800 -11.669 1.00 0.00 C ATOM 0 H ILE A 82 6.595 -4.797 -10.595 1.00 0.00 H new ATOM 0 HA ILE A 82 7.030 -5.013 -13.504 1.00 0.00 H new ATOM 0 HB ILE A 82 8.436 -3.167 -11.527 1.00 0.00 H new ATOM 0 HG12 ILE A 82 7.469 -1.515 -13.402 1.00 0.00 H new ATOM 0 HG13 ILE A 82 6.272 -2.785 -13.562 1.00 0.00 H new ATOM 0 HG21 ILE A 82 9.640 -2.319 -13.503 1.00 0.00 H new ATOM 0 HG22 ILE A 82 9.977 -4.043 -13.218 1.00 0.00 H new ATOM 0 HG23 ILE A 82 8.853 -3.558 -14.510 1.00 0.00 H new ATOM 0 HD11 ILE A 82 5.520 -1.065 -11.993 1.00 0.00 H new ATOM 0 HD12 ILE A 82 5.752 -2.617 -11.153 1.00 0.00 H new ATOM 0 HD13 ILE A 82 6.968 -1.327 -10.991 1.00 0.00 H new ATOM 1297 N LYS A 83 9.088 -6.425 -13.219 1.00 0.00 N ATOM 1298 CA LYS A 83 10.142 -7.417 -13.039 1.00 0.00 C ATOM 1299 C LYS A 83 9.762 -8.425 -11.959 1.00 0.00 C ATOM 1300 O LYS A 83 10.617 -8.901 -11.212 1.00 0.00 O ATOM 1301 CB LYS A 83 11.459 -6.731 -12.671 1.00 0.00 C ATOM 1302 CG LYS A 83 12.046 -5.898 -13.796 1.00 0.00 C ATOM 1303 CD LYS A 83 13.552 -5.750 -13.654 1.00 0.00 C ATOM 1304 CE LYS A 83 14.151 -4.986 -14.825 1.00 0.00 C ATOM 1305 NZ LYS A 83 15.636 -4.916 -14.741 1.00 0.00 N ATOM 0 H LYS A 83 8.835 -6.251 -14.192 1.00 0.00 H new ATOM 0 HA LYS A 83 10.269 -7.951 -13.981 1.00 0.00 H new ATOM 0 HB2 LYS A 83 11.296 -6.091 -11.804 1.00 0.00 H new ATOM 0 HB3 LYS A 83 12.184 -7.490 -12.376 1.00 0.00 H new ATOM 0 HG2 LYS A 83 11.814 -6.364 -14.754 1.00 0.00 H new ATOM 0 HG3 LYS A 83 11.581 -4.912 -13.800 1.00 0.00 H new ATOM 0 HD2 LYS A 83 13.781 -5.230 -12.724 1.00 0.00 H new ATOM 0 HD3 LYS A 83 14.011 -6.737 -13.589 1.00 0.00 H new ATOM 0 HE2 LYS A 83 13.863 -5.468 -15.759 1.00 0.00 H new ATOM 0 HE3 LYS A 83 13.741 -3.976 -14.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 16.005 -4.388 -15.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 15.912 -4.433 -13.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 16.030 -5.879 -14.745 1.00 0.00 H new ATOM 1319 N ALA A 84 8.475 -8.747 -11.883 1.00 0.00 N ATOM 1320 CA ALA A 84 7.983 -9.701 -10.897 1.00 0.00 C ATOM 1321 C ALA A 84 8.296 -9.235 -9.479 1.00 0.00 C ATOM 1322 O ALA A 84 8.557 -10.048 -8.591 1.00 0.00 O ATOM 1323 CB ALA A 84 8.583 -11.076 -11.147 1.00 0.00 C ATOM 0 H ALA A 84 7.754 -8.361 -12.493 1.00 0.00 H new ATOM 0 HA ALA A 84 6.900 -9.766 -11.000 1.00 0.00 H new ATOM 0 HB1 ALA A 84 8.207 -11.778 -10.403 1.00 0.00 H new ATOM 0 HB2 ALA A 84 8.304 -11.419 -12.143 1.00 0.00 H new ATOM 0 HB3 ALA A 84 9.669 -11.018 -11.074 1.00 0.00 H new ATOM 1329 N VAL A 85 8.269 -7.922 -9.272 1.00 0.00 N ATOM 1330 CA VAL A 85 8.550 -7.349 -7.962 1.00 0.00 C ATOM 1331 C VAL A 85 7.536 -6.267 -7.606 1.00 0.00 C ATOM 1332 O VAL A 85 7.156 -5.457 -8.452 1.00 0.00 O ATOM 1333 CB VAL A 85 9.967 -6.747 -7.904 1.00 0.00 C ATOM 1334 CG1 VAL A 85 10.049 -5.675 -6.829 1.00 0.00 C ATOM 1335 CG2 VAL A 85 10.999 -7.838 -7.661 1.00 0.00 C ATOM 0 H VAL A 85 8.055 -7.235 -9.995 1.00 0.00 H new ATOM 0 HA VAL A 85 8.479 -8.162 -7.240 1.00 0.00 H new ATOM 0 HB VAL A 85 10.184 -6.280 -8.865 1.00 0.00 H new ATOM 0 HG11 VAL A 85 11.057 -5.262 -6.803 1.00 0.00 H new ATOM 0 HG12 VAL A 85 9.337 -4.881 -7.052 1.00 0.00 H new ATOM 0 HG13 VAL A 85 9.812 -6.113 -5.860 1.00 0.00 H new ATOM 0 HG21 VAL A 85 11.994 -7.395 -7.623 1.00 0.00 H new ATOM 0 HG22 VAL A 85 10.787 -8.335 -6.715 1.00 0.00 H new ATOM 0 HG23 VAL A 85 10.956 -8.566 -8.471 1.00 0.00 H new ATOM 1345 N CYS A 86 7.103 -6.261 -6.351 1.00 0.00 N ATOM 1346 CA CYS A 86 6.132 -5.278 -5.882 1.00 0.00 C ATOM 1347 C CYS A 86 6.732 -3.876 -5.885 1.00 0.00 C ATOM 1348 O CYS A 86 7.736 -3.619 -5.219 1.00 0.00 O ATOM 1349 CB CYS A 86 5.649 -5.637 -4.476 1.00 0.00 C ATOM 1350 SG CYS A 86 4.128 -4.796 -3.980 1.00 0.00 S ATOM 0 H CYS A 86 7.408 -6.925 -5.640 1.00 0.00 H new ATOM 0 HA CYS A 86 5.282 -5.291 -6.564 1.00 0.00 H new ATOM 0 HB2 CYS A 86 5.490 -6.714 -4.422 1.00 0.00 H new ATOM 0 HB3 CYS A 86 6.435 -5.395 -3.761 1.00 0.00 H new ATOM 0 HG CYS A 86 3.619 -5.395 -2.944 1.00 0.00 H new ATOM 1356 N CYS A 87 6.113 -2.974 -6.638 1.00 0.00 N ATOM 1357 CA CYS A 87 6.588 -1.598 -6.729 1.00 0.00 C ATOM 1358 C CYS A 87 5.542 -0.626 -6.193 1.00 0.00 C ATOM 1359 O CYS A 87 4.510 -0.397 -6.824 1.00 0.00 O ATOM 1360 CB CYS A 87 6.930 -1.250 -8.178 1.00 0.00 C ATOM 1361 SG CYS A 87 8.646 -1.594 -8.635 1.00 0.00 S ATOM 0 H CYS A 87 5.281 -3.171 -7.194 1.00 0.00 H new ATOM 0 HA CYS A 87 7.487 -1.508 -6.120 1.00 0.00 H new ATOM 0 HB2 CYS A 87 6.270 -1.810 -8.840 1.00 0.00 H new ATOM 0 HB3 CYS A 87 6.726 -0.192 -8.344 1.00 0.00 H new ATOM 0 HG CYS A 87 8.837 -1.269 -9.879 1.00 0.00 H new ATOM 1367 N LEU A 88 5.816 -0.057 -5.024 1.00 0.00 N ATOM 1368 CA LEU A 88 4.899 0.891 -4.401 1.00 0.00 C ATOM 1369 C LEU A 88 5.275 2.326 -4.754 1.00 0.00 C ATOM 1370 O LEU A 88 6.426 2.734 -4.594 1.00 0.00 O ATOM 1371 CB LEU A 88 4.901 0.710 -2.882 1.00 0.00 C ATOM 1372 CG LEU A 88 4.109 -0.484 -2.347 1.00 0.00 C ATOM 1373 CD1 LEU A 88 4.984 -1.726 -2.297 1.00 0.00 C ATOM 1374 CD2 LEU A 88 3.542 -0.173 -0.969 1.00 0.00 C ATOM 0 H LEU A 88 6.666 -0.236 -4.489 1.00 0.00 H new ATOM 0 HA LEU A 88 3.897 0.694 -4.783 1.00 0.00 H new ATOM 0 HB2 LEU A 88 5.934 0.613 -2.549 1.00 0.00 H new ATOM 0 HB3 LEU A 88 4.503 1.617 -2.428 1.00 0.00 H new ATOM 0 HG LEU A 88 3.278 -0.678 -3.025 1.00 0.00 H new ATOM 0 HD11 LEU A 88 4.403 -2.565 -1.914 1.00 0.00 H new ATOM 0 HD12 LEU A 88 5.341 -1.960 -3.300 1.00 0.00 H new ATOM 0 HD13 LEU A 88 5.836 -1.545 -1.641 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.981 -1.033 -0.604 1.00 0.00 H new ATOM 0 HD22 LEU A 88 4.358 0.047 -0.281 1.00 0.00 H new ATOM 0 HD23 LEU A 88 2.880 0.690 -1.034 1.00 0.00 H new ATOM 1386 N SER A 89 4.297 3.088 -5.232 1.00 0.00 N ATOM 1387 CA SER A 89 4.526 4.478 -5.610 1.00 0.00 C ATOM 1388 C SER A 89 3.563 5.406 -4.875 1.00 0.00 C ATOM 1389 O SER A 89 2.345 5.268 -4.984 1.00 0.00 O ATOM 1390 CB SER A 89 4.366 4.652 -7.121 1.00 0.00 C ATOM 1391 OG SER A 89 5.599 4.454 -7.791 1.00 0.00 O ATOM 0 H SER A 89 3.338 2.767 -5.367 1.00 0.00 H new ATOM 0 HA SER A 89 5.545 4.742 -5.328 1.00 0.00 H new ATOM 0 HB2 SER A 89 3.627 3.943 -7.496 1.00 0.00 H new ATOM 0 HB3 SER A 89 3.988 5.651 -7.337 1.00 0.00 H new ATOM 0 HG SER A 89 5.469 4.569 -8.756 1.00 0.00 H new ATOM 1397 N VAL A 90 4.120 6.353 -4.125 1.00 0.00 N ATOM 1398 CA VAL A 90 3.312 7.305 -3.372 1.00 0.00 C ATOM 1399 C VAL A 90 3.088 8.585 -4.169 1.00 0.00 C ATOM 1400 O VAL A 90 4.000 9.091 -4.822 1.00 0.00 O ATOM 1401 CB VAL A 90 3.972 7.659 -2.026 1.00 0.00 C ATOM 1402 CG1 VAL A 90 3.043 8.523 -1.187 1.00 0.00 C ATOM 1403 CG2 VAL A 90 4.361 6.395 -1.275 1.00 0.00 C ATOM 0 H VAL A 90 5.127 6.481 -4.023 1.00 0.00 H new ATOM 0 HA VAL A 90 2.351 6.826 -3.182 1.00 0.00 H new ATOM 0 HB VAL A 90 4.879 8.230 -2.225 1.00 0.00 H new ATOM 0 HG11 VAL A 90 3.526 8.763 -0.240 1.00 0.00 H new ATOM 0 HG12 VAL A 90 2.819 9.445 -1.724 1.00 0.00 H new ATOM 0 HG13 VAL A 90 2.117 7.981 -0.995 1.00 0.00 H new ATOM 0 HG21 VAL A 90 4.826 6.664 -0.326 1.00 0.00 H new ATOM 0 HG22 VAL A 90 3.470 5.796 -1.086 1.00 0.00 H new ATOM 0 HG23 VAL A 90 5.066 5.818 -1.874 1.00 0.00 H new ATOM 1413 N VAL A 91 1.866 9.106 -4.110 1.00 0.00 N ATOM 1414 CA VAL A 91 1.521 10.329 -4.824 1.00 0.00 C ATOM 1415 C VAL A 91 0.674 11.252 -3.956 1.00 0.00 C ATOM 1416 O VAL A 91 -0.449 10.914 -3.581 1.00 0.00 O ATOM 1417 CB VAL A 91 0.756 10.022 -6.126 1.00 0.00 C ATOM 1418 CG1 VAL A 91 0.432 11.308 -6.870 1.00 0.00 C ATOM 1419 CG2 VAL A 91 1.560 9.076 -7.005 1.00 0.00 C ATOM 0 H VAL A 91 1.099 8.700 -3.575 1.00 0.00 H new ATOM 0 HA VAL A 91 2.459 10.827 -5.071 1.00 0.00 H new ATOM 0 HB VAL A 91 -0.183 9.533 -5.869 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -0.108 11.072 -7.787 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.186 11.947 -6.239 1.00 0.00 H new ATOM 0 HG13 VAL A 91 1.357 11.828 -7.118 1.00 0.00 H new ATOM 0 HG21 VAL A 91 1.005 8.870 -7.920 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.516 9.536 -7.256 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.736 8.143 -6.470 1.00 0.00 H new ATOM 1429 N LYS A 92 1.219 12.422 -3.638 1.00 0.00 N ATOM 1430 CA LYS A 92 0.514 13.397 -2.815 1.00 0.00 C ATOM 1431 C LYS A 92 -0.375 14.292 -3.673 1.00 0.00 C ATOM 1432 O LYS A 92 0.117 15.098 -4.462 1.00 0.00 O ATOM 1433 CB LYS A 92 1.513 14.252 -2.032 1.00 0.00 C ATOM 1434 CG LYS A 92 0.906 14.942 -0.823 1.00 0.00 C ATOM 1435 CD LYS A 92 1.973 15.595 0.040 1.00 0.00 C ATOM 1436 CE LYS A 92 2.503 16.870 -0.599 1.00 0.00 C ATOM 1437 NZ LYS A 92 1.443 17.909 -0.726 1.00 0.00 N ATOM 0 H LYS A 92 2.148 12.718 -3.938 1.00 0.00 H new ATOM 0 HA LYS A 92 -0.118 12.853 -2.113 1.00 0.00 H new ATOM 0 HB2 LYS A 92 2.339 13.621 -1.703 1.00 0.00 H new ATOM 0 HB3 LYS A 92 1.933 15.006 -2.697 1.00 0.00 H new ATOM 0 HG2 LYS A 92 0.192 15.696 -1.154 1.00 0.00 H new ATOM 0 HG3 LYS A 92 0.350 14.216 -0.229 1.00 0.00 H new ATOM 0 HD2 LYS A 92 1.559 15.824 1.022 1.00 0.00 H new ATOM 0 HD3 LYS A 92 2.795 14.896 0.196 1.00 0.00 H new ATOM 0 HE2 LYS A 92 3.325 17.262 -0.000 1.00 0.00 H new ATOM 0 HE3 LYS A 92 2.907 16.641 -1.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 1.885 18.846 -0.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 0.864 17.713 -1.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 0.840 17.895 0.121 1.00 0.00 H new ATOM 1451 N SER A 93 -1.687 14.145 -3.511 1.00 0.00 N ATOM 1452 CA SER A 93 -2.644 14.939 -4.273 1.00 0.00 C ATOM 1453 C SER A 93 -3.620 15.652 -3.342 1.00 0.00 C ATOM 1454 O SER A 93 -3.721 16.878 -3.352 1.00 0.00 O ATOM 1455 CB SER A 93 -3.413 14.048 -5.251 1.00 0.00 C ATOM 1456 OG SER A 93 -4.474 14.761 -5.863 1.00 0.00 O ATOM 0 H SER A 93 -2.111 13.484 -2.860 1.00 0.00 H new ATOM 0 HA SER A 93 -2.090 15.690 -4.836 1.00 0.00 H new ATOM 0 HB2 SER A 93 -2.734 13.672 -6.016 1.00 0.00 H new ATOM 0 HB3 SER A 93 -3.810 13.181 -4.723 1.00 0.00 H new ATOM 0 HG SER A 93 -4.949 14.171 -6.484 1.00 0.00 H new ATOM 1462 N GLY A 94 -4.338 14.874 -2.538 1.00 0.00 N ATOM 1463 CA GLY A 94 -5.297 15.447 -1.612 1.00 0.00 C ATOM 1464 C GLY A 94 -6.363 16.264 -2.314 1.00 0.00 C ATOM 1465 O GLY A 94 -6.215 16.654 -3.473 1.00 0.00 O ATOM 0 H GLY A 94 -4.273 13.856 -2.511 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -5.772 14.647 -1.044 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -4.773 16.079 -0.895 1.00 0.00 H new ATOM 1469 N PRO A 95 -7.470 16.534 -1.606 1.00 0.00 N ATOM 1470 CA PRO A 95 -8.588 17.311 -2.149 1.00 0.00 C ATOM 1471 C PRO A 95 -8.233 18.782 -2.339 1.00 0.00 C ATOM 1472 O PRO A 95 -7.131 19.213 -2.001 1.00 0.00 O ATOM 1473 CB PRO A 95 -9.677 17.157 -1.085 1.00 0.00 C ATOM 1474 CG PRO A 95 -8.937 16.881 0.178 1.00 0.00 C ATOM 1475 CD PRO A 95 -7.715 16.101 -0.220 1.00 0.00 C ATOM 0 HA PRO A 95 -8.886 16.961 -3.137 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -10.279 18.062 -1.001 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -10.358 16.342 -1.331 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -8.662 17.809 0.680 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -9.553 16.313 0.875 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -6.867 16.325 0.427 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -7.887 15.026 -0.159 1.00 0.00 H new ATOM 1483 N SER A 96 -9.174 19.548 -2.882 1.00 0.00 N ATOM 1484 CA SER A 96 -8.959 20.970 -3.120 1.00 0.00 C ATOM 1485 C SER A 96 -10.166 21.785 -2.666 1.00 0.00 C ATOM 1486 O SER A 96 -11.290 21.551 -3.110 1.00 0.00 O ATOM 1487 CB SER A 96 -8.686 21.225 -4.603 1.00 0.00 C ATOM 1488 OG SER A 96 -7.317 21.028 -4.911 1.00 0.00 O ATOM 0 H SER A 96 -10.093 19.207 -3.165 1.00 0.00 H new ATOM 0 HA SER A 96 -8.091 21.283 -2.539 1.00 0.00 H new ATOM 0 HB2 SER A 96 -9.298 20.557 -5.209 1.00 0.00 H new ATOM 0 HB3 SER A 96 -8.977 22.244 -4.860 1.00 0.00 H new ATOM 0 HG SER A 96 -7.169 21.196 -5.865 1.00 0.00 H new ATOM 1494 N SER A 97 -9.925 22.745 -1.778 1.00 0.00 N ATOM 1495 CA SER A 97 -10.991 23.593 -1.260 1.00 0.00 C ATOM 1496 C SER A 97 -11.115 24.872 -2.082 1.00 0.00 C ATOM 1497 O SER A 97 -10.208 25.233 -2.830 1.00 0.00 O ATOM 1498 CB SER A 97 -10.729 23.939 0.207 1.00 0.00 C ATOM 1499 OG SER A 97 -9.747 24.954 0.324 1.00 0.00 O ATOM 0 H SER A 97 -9.000 22.954 -1.403 1.00 0.00 H new ATOM 0 HA SER A 97 -11.929 23.042 -1.334 1.00 0.00 H new ATOM 0 HB2 SER A 97 -11.655 24.269 0.677 1.00 0.00 H new ATOM 0 HB3 SER A 97 -10.400 23.047 0.741 1.00 0.00 H new ATOM 0 HG SER A 97 -9.599 25.158 1.271 1.00 0.00 H new ATOM 1505 N GLY A 98 -12.247 25.555 -1.936 1.00 0.00 N ATOM 1506 CA GLY A 98 -12.471 26.786 -2.670 1.00 0.00 C ATOM 1507 C GLY A 98 -12.706 26.546 -4.148 1.00 0.00 C ATOM 1508 O GLY A 98 -11.889 25.915 -4.819 1.00 0.00 O ATOM 0 H GLY A 98 -13.013 25.277 -1.322 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -13.332 27.305 -2.248 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -11.610 27.442 -2.544 1.00 0.00 H new TER 1512 GLY A 98