USER MOD reduce.3.24.130724 H: found=0, std=0, add=873, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 870 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 64 THR OG1 : rot 36:sc= 1.24 USER MOD Set 1.2: A 111 THR OG1 : rot 61:sc= 1.15 USER MOD Single : A 25 THR OG1 : rot 176:sc= 1.27 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=-0.051) USER MOD Single : A 32 CYS SG : rot 110:sc= -0.618 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot -31:sc= 0.843 USER MOD Single : A 38 HIS : no HD1:sc= -0.0704 X(o=-0.07,f=-0.29) USER MOD Single : A 41 CYS SG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.165 K(o=-0.16,f=-1.7) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 140:sc= 0.0821 USER MOD Single : A 66 MET CE :methyl -174:sc=-0.00851 (180deg=-0.0814) USER MOD Single : A 69 ASN : amide:sc= -1.52! C(o=-1.5!,f=-5.2!) USER MOD Single : A 72 ASN : amide:sc= 1.13 K(o=1.1,f=-0.11) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= 1.14 K(o=1.1,f=-0.15) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 MET CE :methyl 171:sc= -1.43 (180deg=-1.78) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= -0.152 K(o=-0.15,f=-1.9!) USER MOD Single : A 87 GLN : amide:sc= 1.74 K(o=1.7,f=-5.9!) USER MOD Single : A 92 ASN : amide:sc= 0.53 K(o=0.53,f=-3.1!) USER MOD Single : A 100 SER OG : rot 173:sc= 1.11 USER MOD Single : A 104 LYS NZ :NH3+ 164:sc= -0.0126 (180deg=-0.153) USER MOD Single : A 105 SER OG : rot 180:sc= -0.0191 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot 59:sc= 0.386 USER MOD Single : A 114 THR OG1 : rot -6:sc= 1.08 USER MOD Single : A 115 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 118 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 121 THR OG1 : rot 170:sc= 1.38 USER MOD Single : A 122 TYR OH : rot 86:sc= 0.278 USER MOD Single : A 123 HIS : no HD1:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 127 LYS NZ :NH3+ -175:sc= 1.24 (180deg=1.07) USER MOD Single : A 129 THR OG1 : rot 79:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 21 -5.274 -9.900 -10.570 1.00 1.00 N ATOM 2 CA GLU A 21 -5.112 -8.963 -9.428 1.00 1.00 C ATOM 3 C GLU A 21 -6.335 -8.049 -9.281 1.00 1.00 C ATOM 4 O GLU A 21 -7.048 -7.829 -10.253 1.00 1.00 O ATOM 5 CB GLU A 21 -3.866 -8.085 -9.653 1.00 1.00 C ATOM 6 CG GLU A 21 -3.344 -7.422 -8.370 1.00 1.00 C ATOM 7 CD GLU A 21 -2.628 -6.094 -8.645 1.00 1.00 C ATOM 8 OE1 GLU A 21 -3.300 -5.087 -8.958 1.00 1.00 O ATOM 9 OE2 GLU A 21 -1.382 -6.068 -8.628 1.00 1.00 O ATOM 0 HA GLU A 21 -5.004 -9.556 -8.520 1.00 1.00 H new ATOM 0 HB2 GLU A 21 -3.074 -8.696 -10.085 1.00 1.00 H new ATOM 0 HB3 GLU A 21 -4.104 -7.310 -10.382 1.00 1.00 H new ATOM 0 HG2 GLU A 21 -4.178 -7.248 -7.690 1.00 1.00 H new ATOM 0 HG3 GLU A 21 -2.658 -8.103 -7.866 1.00 1.00 H new ATOM 17 N LEU A 22 -6.494 -7.459 -8.088 1.00 1.00 N ATOM 18 CA LEU A 22 -7.125 -6.172 -7.805 1.00 1.00 C ATOM 19 C LEU A 22 -6.398 -5.596 -6.576 1.00 1.00 C ATOM 20 O LEU A 22 -5.332 -6.120 -6.217 1.00 1.00 O ATOM 21 CB LEU A 22 -8.641 -6.380 -7.621 1.00 1.00 C ATOM 22 CG LEU A 22 -9.494 -5.973 -8.844 1.00 1.00 C ATOM 23 CD1 LEU A 22 -10.908 -6.527 -8.674 1.00 1.00 C ATOM 24 CD2 LEU A 22 -9.527 -4.453 -9.045 1.00 1.00 C ATOM 0 H LEU A 22 -6.158 -7.906 -7.235 1.00 1.00 H new ATOM 0 HA LEU A 22 -7.036 -5.451 -8.618 1.00 1.00 H new ATOM 0 HB2 LEU A 22 -8.827 -7.430 -7.397 1.00 1.00 H new ATOM 0 HB3 LEU A 22 -8.972 -5.806 -6.755 1.00 1.00 H new ATOM 0 HG LEU A 22 -9.036 -6.396 -9.738 1.00 1.00 H new ATOM 0 HD11 LEU A 22 -11.516 -6.244 -9.533 1.00 1.00 H new ATOM 0 HD12 LEU A 22 -10.867 -7.614 -8.601 1.00 1.00 H new ATOM 0 HD13 LEU A 22 -11.352 -6.119 -7.766 1.00 1.00 H new ATOM 0 HD21 LEU A 22 -10.138 -4.214 -9.916 1.00 1.00 H new ATOM 0 HD22 LEU A 22 -9.953 -3.978 -8.161 1.00 1.00 H new ATOM 0 HD23 LEU A 22 -8.513 -4.085 -9.201 1.00 1.00 H new ATOM 36 N VAL A 23 -6.826 -4.466 -5.986 1.00 1.00 N ATOM 37 CA VAL A 23 -6.262 -4.059 -4.676 1.00 1.00 C ATOM 38 C VAL A 23 -6.762 -5.099 -3.632 1.00 1.00 C ATOM 39 O VAL A 23 -7.630 -4.830 -2.805 1.00 1.00 O ATOM 40 CB VAL A 23 -6.611 -2.588 -4.300 1.00 1.00 C ATOM 41 CG1 VAL A 23 -5.870 -2.137 -3.031 1.00 1.00 C ATOM 42 CG2 VAL A 23 -6.316 -1.583 -5.432 1.00 1.00 C ATOM 0 H VAL A 23 -7.531 -3.837 -6.371 1.00 1.00 H new ATOM 0 HA VAL A 23 -5.173 -4.061 -4.710 1.00 1.00 H new ATOM 0 HB VAL A 23 -7.686 -2.589 -4.121 1.00 1.00 H new ATOM 0 HG11 VAL A 23 -6.138 -1.106 -2.800 1.00 1.00 H new ATOM 0 HG12 VAL A 23 -6.151 -2.781 -2.197 1.00 1.00 H new ATOM 0 HG13 VAL A 23 -4.794 -2.204 -3.195 1.00 1.00 H new ATOM 0 HG21 VAL A 23 -6.582 -0.578 -5.105 1.00 1.00 H new ATOM 0 HG22 VAL A 23 -5.255 -1.615 -5.680 1.00 1.00 H new ATOM 0 HG23 VAL A 23 -6.903 -1.844 -6.313 1.00 1.00 H new ATOM 52 N ARG A 24 -6.196 -6.324 -3.716 1.00 1.00 N ATOM 53 CA ARG A 24 -6.323 -7.496 -2.829 1.00 1.00 C ATOM 54 C ARG A 24 -4.911 -7.968 -2.452 1.00 1.00 C ATOM 55 O ARG A 24 -4.339 -8.859 -3.081 1.00 1.00 O ATOM 56 CB ARG A 24 -7.169 -8.608 -3.489 1.00 1.00 C ATOM 57 CG ARG A 24 -6.848 -8.937 -4.957 1.00 1.00 C ATOM 58 CD ARG A 24 -7.105 -10.402 -5.290 1.00 1.00 C ATOM 59 NE ARG A 24 -8.546 -10.738 -5.358 1.00 1.00 N ATOM 60 CZ ARG A 24 -9.144 -11.826 -4.892 1.00 1.00 C ATOM 61 NH1 ARG A 24 -8.548 -12.709 -4.145 1.00 1.00 N ATOM 62 NH2 ARG A 24 -10.389 -12.070 -5.181 1.00 1.00 N ATOM 0 H ARG A 24 -5.571 -6.536 -4.494 1.00 1.00 H new ATOM 0 HA ARG A 24 -6.856 -7.225 -1.918 1.00 1.00 H new ATOM 0 HB2 ARG A 24 -7.052 -9.519 -2.902 1.00 1.00 H new ATOM 0 HB3 ARG A 24 -8.219 -8.321 -3.426 1.00 1.00 H new ATOM 0 HG2 ARG A 24 -7.453 -8.307 -5.609 1.00 1.00 H new ATOM 0 HG3 ARG A 24 -5.804 -8.698 -5.161 1.00 1.00 H new ATOM 0 HD2 ARG A 24 -6.637 -10.639 -6.246 1.00 1.00 H new ATOM 0 HD3 ARG A 24 -6.627 -11.029 -4.537 1.00 1.00 H new ATOM 0 HE ARG A 24 -9.148 -10.054 -5.816 1.00 1.00 H new ATOM 0 HH11 ARG A 24 -7.569 -12.583 -3.889 1.00 1.00 H new ATOM 0 HH12 ARG A 24 -9.060 -13.527 -3.816 1.00 1.00 H new ATOM 0 HH21 ARG A 24 -10.912 -11.422 -5.770 1.00 1.00 H new ATOM 0 HH22 ARG A 24 -10.842 -12.909 -4.819 1.00 1.00 H new ATOM 76 N THR A 25 -4.336 -7.298 -1.453 1.00 1.00 N ATOM 77 CA THR A 25 -2.940 -7.427 -1.003 1.00 1.00 C ATOM 78 C THR A 25 -2.871 -8.308 0.252 1.00 1.00 C ATOM 79 O THR A 25 -2.483 -9.465 0.132 1.00 1.00 O ATOM 80 CB THR A 25 -2.281 -6.038 -0.840 1.00 1.00 C ATOM 81 OG1 THR A 25 -3.038 -5.250 0.059 1.00 1.00 O ATOM 82 CG2 THR A 25 -2.165 -5.280 -2.180 1.00 1.00 C ATOM 0 H THR A 25 -4.855 -6.613 -0.903 1.00 1.00 H new ATOM 0 HA THR A 25 -2.351 -7.936 -1.766 1.00 1.00 H new ATOM 0 HB THR A 25 -1.275 -6.208 -0.456 1.00 1.00 H new ATOM 0 HG1 THR A 25 -2.581 -4.396 0.211 1.00 1.00 H new ATOM 0 HG21 THR A 25 -1.696 -4.311 -2.010 1.00 1.00 H new ATOM 0 HG22 THR A 25 -1.558 -5.860 -2.875 1.00 1.00 H new ATOM 0 HG23 THR A 25 -3.159 -5.133 -2.602 1.00 1.00 H new ATOM 90 N ASP A 26 -3.298 -7.793 1.418 1.00 1.00 N ATOM 91 CA ASP A 26 -3.404 -8.529 2.697 1.00 1.00 C ATOM 92 C ASP A 26 -4.350 -9.757 2.642 1.00 1.00 C ATOM 93 O ASP A 26 -4.019 -10.798 3.204 1.00 1.00 O ATOM 94 CB ASP A 26 -3.831 -7.525 3.778 1.00 1.00 C ATOM 95 CG ASP A 26 -3.588 -8.006 5.214 1.00 1.00 C ATOM 96 OD1 ASP A 26 -2.408 -7.984 5.613 1.00 1.00 O ATOM 97 OD2 ASP A 26 -4.585 -8.400 5.862 1.00 1.00 O ATOM 0 H ASP A 26 -3.590 -6.819 1.502 1.00 1.00 H new ATOM 0 HA ASP A 26 -2.430 -8.958 2.931 1.00 1.00 H new ATOM 0 HB2 ASP A 26 -3.291 -6.591 3.624 1.00 1.00 H new ATOM 0 HB3 ASP A 26 -4.891 -7.305 3.655 1.00 1.00 H new ATOM 102 N SER A 27 -5.487 -9.667 1.920 1.00 1.00 N ATOM 103 CA SER A 27 -6.462 -10.752 1.698 1.00 1.00 C ATOM 104 C SER A 27 -7.404 -11.119 2.889 1.00 1.00 C ATOM 105 O SER A 27 -7.774 -12.292 2.990 1.00 1.00 O ATOM 106 CB SER A 27 -5.756 -11.974 1.052 1.00 1.00 C ATOM 107 OG SER A 27 -5.532 -11.800 -0.334 1.00 1.00 O ATOM 0 H SER A 27 -5.761 -8.800 1.457 1.00 1.00 H new ATOM 0 HA SER A 27 -7.188 -10.345 0.994 1.00 1.00 H new ATOM 0 HB2 SER A 27 -4.803 -12.145 1.552 1.00 1.00 H new ATOM 0 HB3 SER A 27 -6.363 -12.865 1.210 1.00 1.00 H new ATOM 0 HG SER A 27 -5.084 -12.593 -0.695 1.00 1.00 H new ATOM 113 N PRO A 28 -7.904 -10.186 3.748 1.00 1.00 N ATOM 114 CA PRO A 28 -8.957 -10.456 4.767 1.00 1.00 C ATOM 115 C PRO A 28 -10.358 -10.723 4.138 1.00 1.00 C ATOM 116 O PRO A 28 -11.390 -10.294 4.653 1.00 1.00 O ATOM 117 CB PRO A 28 -8.979 -9.225 5.691 1.00 1.00 C ATOM 118 CG PRO A 28 -8.450 -8.096 4.812 1.00 1.00 C ATOM 119 CD PRO A 28 -7.514 -8.784 3.821 1.00 1.00 C ATOM 0 HA PRO A 28 -8.724 -11.368 5.316 1.00 1.00 H new ATOM 0 HB2 PRO A 28 -9.986 -9.013 6.050 1.00 1.00 H new ATOM 0 HB3 PRO A 28 -8.352 -9.374 6.570 1.00 1.00 H new ATOM 0 HG2 PRO A 28 -9.261 -7.581 4.298 1.00 1.00 H new ATOM 0 HG3 PRO A 28 -7.921 -7.348 5.403 1.00 1.00 H new ATOM 0 HD2 PRO A 28 -7.584 -8.315 2.839 1.00 1.00 H new ATOM 0 HD3 PRO A 28 -6.478 -8.691 4.145 1.00 1.00 H new ATOM 127 N ASN A 29 -10.366 -11.421 2.990 1.00 1.00 N ATOM 128 CA ASN A 29 -11.425 -11.713 2.020 1.00 1.00 C ATOM 129 C ASN A 29 -11.831 -10.494 1.136 1.00 1.00 C ATOM 130 O ASN A 29 -12.859 -10.572 0.455 1.00 1.00 O ATOM 131 CB ASN A 29 -12.582 -12.493 2.683 1.00 1.00 C ATOM 132 CG ASN A 29 -12.218 -13.891 3.175 1.00 1.00 C ATOM 133 OD1 ASN A 29 -11.599 -14.704 2.509 1.00 1.00 O ATOM 134 ND2 ASN A 29 -12.649 -14.219 4.372 1.00 1.00 N ATOM 0 H ASN A 29 -9.497 -11.856 2.681 1.00 1.00 H new ATOM 0 HA ASN A 29 -11.016 -12.392 1.272 1.00 1.00 H new ATOM 0 HB2 ASN A 29 -12.955 -11.913 3.527 1.00 1.00 H new ATOM 0 HB3 ASN A 29 -13.400 -12.577 1.968 1.00 1.00 H new ATOM 0 HD21 ASN A 29 -12.466 -15.152 4.742 1.00 1.00 H new ATOM 0 HD22 ASN A 29 -13.167 -13.541 4.931 1.00 1.00 H new ATOM 141 N PHE A 30 -11.023 -9.408 1.065 1.00 1.00 N ATOM 142 CA PHE A 30 -11.377 -8.154 0.359 1.00 1.00 C ATOM 143 C PHE A 30 -10.607 -7.889 -0.947 1.00 1.00 C ATOM 144 O PHE A 30 -9.381 -8.010 -0.997 1.00 1.00 O ATOM 145 CB PHE A 30 -11.184 -6.945 1.289 1.00 1.00 C ATOM 146 CG PHE A 30 -12.200 -6.805 2.401 1.00 1.00 C ATOM 147 CD1 PHE A 30 -13.417 -6.109 2.199 1.00 1.00 C ATOM 148 CD2 PHE A 30 -11.906 -7.359 3.660 1.00 1.00 C ATOM 149 CE1 PHE A 30 -14.343 -5.996 3.261 1.00 1.00 C ATOM 150 CE2 PHE A 30 -12.837 -7.270 4.713 1.00 1.00 C ATOM 151 CZ PHE A 30 -14.060 -6.602 4.507 1.00 1.00 C ATOM 0 H PHE A 30 -10.101 -9.378 1.500 1.00 1.00 H new ATOM 0 HA PHE A 30 -12.421 -8.290 0.078 1.00 1.00 H new ATOM 0 HB2 PHE A 30 -10.191 -7.007 1.734 1.00 1.00 H new ATOM 0 HB3 PHE A 30 -11.206 -6.038 0.685 1.00 1.00 H new ATOM 0 HD1 PHE A 30 -13.636 -5.667 1.238 1.00 1.00 H new ATOM 0 HD2 PHE A 30 -10.960 -7.856 3.820 1.00 1.00 H new ATOM 0 HE1 PHE A 30 -15.264 -5.449 3.121 1.00 1.00 H new ATOM 0 HE2 PHE A 30 -12.615 -7.711 5.673 1.00 1.00 H new ATOM 0 HZ PHE A 30 -14.786 -6.552 5.305 1.00 1.00 H new ATOM 161 N LEU A 31 -11.351 -7.432 -1.969 1.00 1.00 N ATOM 162 CA LEU A 31 -10.876 -6.922 -3.270 1.00 1.00 C ATOM 163 C LEU A 31 -11.361 -5.470 -3.536 1.00 1.00 C ATOM 164 O LEU A 31 -12.561 -5.184 -3.543 1.00 1.00 O ATOM 165 CB LEU A 31 -11.224 -7.936 -4.384 1.00 1.00 C ATOM 166 CG LEU A 31 -12.717 -8.197 -4.704 1.00 1.00 C ATOM 167 CD1 LEU A 31 -13.133 -7.447 -5.973 1.00 1.00 C ATOM 168 CD2 LEU A 31 -13.022 -9.689 -4.909 1.00 1.00 C ATOM 0 H LEU A 31 -12.369 -7.407 -1.905 1.00 1.00 H new ATOM 0 HA LEU A 31 -9.789 -6.837 -3.257 1.00 1.00 H new ATOM 0 HB2 LEU A 31 -10.742 -7.599 -5.302 1.00 1.00 H new ATOM 0 HB3 LEU A 31 -10.770 -8.890 -4.117 1.00 1.00 H new ATOM 0 HG LEU A 31 -13.280 -7.840 -3.842 1.00 1.00 H new ATOM 0 HD11 LEU A 31 -14.185 -7.642 -6.183 1.00 1.00 H new ATOM 0 HD12 LEU A 31 -12.984 -6.377 -5.829 1.00 1.00 H new ATOM 0 HD13 LEU A 31 -12.527 -7.788 -6.812 1.00 1.00 H new ATOM 0 HD21 LEU A 31 -14.082 -9.817 -5.130 1.00 1.00 H new ATOM 0 HD22 LEU A 31 -12.429 -10.071 -5.740 1.00 1.00 H new ATOM 0 HD23 LEU A 31 -12.772 -10.239 -4.002 1.00 1.00 H new ATOM 180 N CYS A 32 -10.416 -4.538 -3.755 1.00 1.00 N ATOM 181 CA CYS A 32 -10.644 -3.099 -3.981 1.00 1.00 C ATOM 182 C CYS A 32 -10.218 -2.642 -5.403 1.00 1.00 C ATOM 183 O CYS A 32 -9.267 -3.160 -5.989 1.00 1.00 O ATOM 184 CB CYS A 32 -9.985 -2.339 -2.804 1.00 1.00 C ATOM 185 SG CYS A 32 -9.617 -0.583 -3.107 1.00 1.00 S ATOM 0 H CYS A 32 -9.425 -4.779 -3.780 1.00 1.00 H new ATOM 0 HA CYS A 32 -11.708 -2.861 -3.978 1.00 1.00 H new ATOM 0 HB2 CYS A 32 -10.642 -2.409 -1.937 1.00 1.00 H new ATOM 0 HB3 CYS A 32 -9.056 -2.846 -2.542 1.00 1.00 H new ATOM 0 HG CYS A 32 -10.415 0.157 -2.396 1.00 1.00 H new ATOM 191 N SER A 33 -10.936 -1.655 -5.956 1.00 1.00 N ATOM 192 CA SER A 33 -10.838 -1.085 -7.311 1.00 1.00 C ATOM 193 C SER A 33 -10.758 0.461 -7.250 1.00 1.00 C ATOM 194 O SER A 33 -11.791 1.141 -7.199 1.00 1.00 O ATOM 195 CB SER A 33 -12.011 -1.609 -8.171 1.00 1.00 C ATOM 196 OG SER A 33 -12.328 -0.752 -9.246 1.00 1.00 O ATOM 0 H SER A 33 -11.668 -1.191 -5.418 1.00 1.00 H new ATOM 0 HA SER A 33 -9.915 -1.410 -7.792 1.00 1.00 H new ATOM 0 HB2 SER A 33 -11.757 -2.595 -8.561 1.00 1.00 H new ATOM 0 HB3 SER A 33 -12.891 -1.733 -7.540 1.00 1.00 H new ATOM 0 HG SER A 33 -13.074 -1.130 -9.757 1.00 1.00 H new ATOM 202 N VAL A 34 -9.516 0.989 -7.276 1.00 1.00 N ATOM 203 CA VAL A 34 -9.116 2.423 -7.299 1.00 1.00 C ATOM 204 C VAL A 34 -7.842 2.628 -8.161 1.00 1.00 C ATOM 205 O VAL A 34 -6.903 1.828 -8.092 1.00 1.00 O ATOM 206 CB VAL A 34 -8.867 2.983 -5.865 1.00 1.00 C ATOM 207 CG1 VAL A 34 -8.570 4.500 -5.888 1.00 1.00 C ATOM 208 CG2 VAL A 34 -10.056 2.757 -4.911 1.00 1.00 C ATOM 0 H VAL A 34 -8.698 0.380 -7.282 1.00 1.00 H new ATOM 0 HA VAL A 34 -9.946 2.973 -7.742 1.00 1.00 H new ATOM 0 HB VAL A 34 -8.004 2.428 -5.497 1.00 1.00 H new ATOM 0 HG11 VAL A 34 -8.402 4.853 -4.871 1.00 1.00 H new ATOM 0 HG12 VAL A 34 -7.680 4.687 -6.489 1.00 1.00 H new ATOM 0 HG13 VAL A 34 -9.418 5.030 -6.321 1.00 1.00 H new ATOM 0 HG21 VAL A 34 -9.819 3.169 -3.930 1.00 1.00 H new ATOM 0 HG22 VAL A 34 -10.941 3.253 -5.309 1.00 1.00 H new ATOM 0 HG23 VAL A 34 -10.250 1.688 -4.818 1.00 1.00 H new ATOM 218 N LEU A 35 -7.801 3.715 -8.952 1.00 1.00 N ATOM 219 CA LEU A 35 -6.669 4.132 -9.807 1.00 1.00 C ATOM 220 C LEU A 35 -5.472 4.778 -9.028 1.00 1.00 C ATOM 221 O LEU A 35 -5.701 5.491 -8.045 1.00 1.00 O ATOM 222 CB LEU A 35 -7.194 5.060 -10.928 1.00 1.00 C ATOM 223 CG LEU A 35 -7.473 6.550 -10.624 1.00 1.00 C ATOM 224 CD1 LEU A 35 -7.659 7.317 -11.938 1.00 1.00 C ATOM 225 CD2 LEU A 35 -8.706 6.767 -9.740 1.00 1.00 C ATOM 0 H LEU A 35 -8.590 4.358 -9.017 1.00 1.00 H new ATOM 0 HA LEU A 35 -6.246 3.227 -10.242 1.00 1.00 H new ATOM 0 HB2 LEU A 35 -6.473 5.024 -11.744 1.00 1.00 H new ATOM 0 HB3 LEU A 35 -8.121 4.625 -11.302 1.00 1.00 H new ATOM 0 HG LEU A 35 -6.610 6.922 -10.072 1.00 1.00 H new ATOM 0 HD11 LEU A 35 -7.856 8.367 -11.722 1.00 1.00 H new ATOM 0 HD12 LEU A 35 -6.754 7.234 -12.539 1.00 1.00 H new ATOM 0 HD13 LEU A 35 -8.500 6.896 -12.489 1.00 1.00 H new ATOM 0 HD21 LEU A 35 -8.845 7.834 -9.565 1.00 1.00 H new ATOM 0 HD22 LEU A 35 -9.587 6.363 -10.239 1.00 1.00 H new ATOM 0 HD23 LEU A 35 -8.564 6.258 -8.786 1.00 1.00 H new ATOM 237 N PRO A 36 -4.201 4.594 -9.467 1.00 1.00 N ATOM 238 CA PRO A 36 -3.001 5.141 -8.810 1.00 1.00 C ATOM 239 C PRO A 36 -2.690 6.611 -9.180 1.00 1.00 C ATOM 240 O PRO A 36 -2.055 6.881 -10.203 1.00 1.00 O ATOM 241 CB PRO A 36 -1.838 4.229 -9.223 1.00 1.00 C ATOM 242 CG PRO A 36 -2.276 3.692 -10.587 1.00 1.00 C ATOM 243 CD PRO A 36 -3.805 3.696 -10.548 1.00 1.00 C ATOM 0 HA PRO A 36 -3.164 5.159 -7.732 1.00 1.00 H new ATOM 0 HB2 PRO A 36 -0.900 4.780 -9.290 1.00 1.00 H new ATOM 0 HB3 PRO A 36 -1.684 3.424 -8.505 1.00 1.00 H new ATOM 0 HG2 PRO A 36 -1.901 4.319 -11.396 1.00 1.00 H new ATOM 0 HG3 PRO A 36 -1.889 2.687 -10.757 1.00 1.00 H new ATOM 0 HD2 PRO A 36 -4.214 4.034 -11.500 1.00 1.00 H new ATOM 0 HD3 PRO A 36 -4.189 2.691 -10.375 1.00 1.00 H new ATOM 251 N THR A 37 -3.063 7.573 -8.317 1.00 1.00 N ATOM 252 CA THR A 37 -2.747 9.017 -8.495 1.00 1.00 C ATOM 253 C THR A 37 -1.463 9.526 -7.798 1.00 1.00 C ATOM 254 O THR A 37 -1.086 10.669 -8.058 1.00 1.00 O ATOM 255 CB THR A 37 -3.962 9.916 -8.192 1.00 1.00 C ATOM 256 OG1 THR A 37 -3.683 11.231 -8.621 1.00 1.00 O ATOM 257 CG2 THR A 37 -4.366 9.966 -6.717 1.00 1.00 C ATOM 0 H THR A 37 -3.595 7.378 -7.469 1.00 1.00 H new ATOM 0 HA THR A 37 -2.511 9.097 -9.556 1.00 1.00 H new ATOM 0 HB THR A 37 -4.800 9.473 -8.730 1.00 1.00 H new ATOM 0 HG1 THR A 37 -2.721 11.402 -8.546 1.00 1.00 H new ATOM 0 HG21 THR A 37 -5.229 10.622 -6.598 1.00 1.00 H new ATOM 0 HG22 THR A 37 -4.623 8.963 -6.376 1.00 1.00 H new ATOM 0 HG23 THR A 37 -3.535 10.349 -6.125 1.00 1.00 H new ATOM 265 N HIS A 38 -0.798 8.714 -6.949 1.00 1.00 N ATOM 266 CA HIS A 38 0.519 8.932 -6.287 1.00 1.00 C ATOM 267 C HIS A 38 0.874 10.405 -5.955 1.00 1.00 C ATOM 268 O HIS A 38 1.936 10.925 -6.330 1.00 1.00 O ATOM 269 CB HIS A 38 1.609 8.226 -7.122 1.00 1.00 C ATOM 270 CG HIS A 38 1.689 8.681 -8.561 1.00 1.00 C ATOM 271 ND1 HIS A 38 2.407 9.771 -8.997 1.00 1.00 N ATOM 272 CD2 HIS A 38 0.986 8.182 -9.622 1.00 1.00 C ATOM 273 CE1 HIS A 38 2.166 9.918 -10.317 1.00 1.00 C ATOM 274 NE2 HIS A 38 1.297 8.963 -10.718 1.00 1.00 N ATOM 0 H HIS A 38 -1.196 7.813 -6.683 1.00 1.00 H new ATOM 0 HA HIS A 38 0.453 8.486 -5.294 1.00 1.00 H new ATOM 0 HB2 HIS A 38 2.576 8.391 -6.648 1.00 1.00 H new ATOM 0 HB3 HIS A 38 1.424 7.152 -7.103 1.00 1.00 H new ATOM 0 HD2 HIS A 38 0.314 7.337 -9.606 1.00 1.00 H new ATOM 0 HE1 HIS A 38 2.598 10.677 -10.952 1.00 1.00 H new ATOM 0 HE2 HIS A 38 0.935 8.841 -11.664 1.00 1.00 H new ATOM 283 N TRP A 39 -0.005 11.067 -5.192 1.00 1.00 N ATOM 284 CA TRP A 39 0.106 12.451 -4.718 1.00 1.00 C ATOM 285 C TRP A 39 -0.867 12.795 -3.574 1.00 1.00 C ATOM 286 O TRP A 39 -1.696 11.974 -3.171 1.00 1.00 O ATOM 287 CB TRP A 39 0.006 13.451 -5.892 1.00 1.00 C ATOM 288 CG TRP A 39 -1.304 14.102 -6.213 1.00 1.00 C ATOM 289 CD1 TRP A 39 -2.449 13.458 -6.519 1.00 1.00 C ATOM 290 CD2 TRP A 39 -1.623 15.524 -6.215 1.00 1.00 C ATOM 291 NE1 TRP A 39 -3.445 14.384 -6.752 1.00 1.00 N ATOM 292 CE2 TRP A 39 -2.977 15.674 -6.652 1.00 1.00 C ATOM 293 CE3 TRP A 39 -0.920 16.706 -5.883 1.00 1.00 C ATOM 294 CZ2 TRP A 39 -3.570 16.938 -6.852 1.00 1.00 C ATOM 295 CZ3 TRP A 39 -1.525 17.976 -6.014 1.00 1.00 C ATOM 296 CH2 TRP A 39 -2.837 18.096 -6.519 1.00 1.00 C ATOM 0 H TRP A 39 -0.865 10.623 -4.870 1.00 1.00 H new ATOM 0 HA TRP A 39 1.100 12.545 -4.280 1.00 1.00 H new ATOM 0 HB2 TRP A 39 0.725 14.247 -5.701 1.00 1.00 H new ATOM 0 HB3 TRP A 39 0.338 12.930 -6.790 1.00 1.00 H new ATOM 0 HD1 TRP A 39 -2.568 12.386 -6.573 1.00 1.00 H new ATOM 0 HE1 TRP A 39 -4.411 14.142 -6.972 1.00 1.00 H new ATOM 0 HE3 TRP A 39 0.096 16.636 -5.523 1.00 1.00 H new ATOM 0 HZ2 TRP A 39 -4.569 17.018 -7.254 1.00 1.00 H new ATOM 0 HZ3 TRP A 39 -0.979 18.862 -5.725 1.00 1.00 H new ATOM 0 HH2 TRP A 39 -3.279 19.073 -6.650 1.00 1.00 H new ATOM 307 N ARG A 40 -0.740 14.028 -3.059 1.00 1.00 N ATOM 308 CA ARG A 40 -1.576 14.651 -2.025 1.00 1.00 C ATOM 309 C ARG A 40 -2.966 14.951 -2.600 1.00 1.00 C ATOM 310 O ARG A 40 -3.157 15.974 -3.258 1.00 1.00 O ATOM 311 CB ARG A 40 -0.813 15.900 -1.530 1.00 1.00 C ATOM 312 CG ARG A 40 -1.379 16.582 -0.278 1.00 1.00 C ATOM 313 CD ARG A 40 -1.875 18.014 -0.502 1.00 1.00 C ATOM 314 NE ARG A 40 -3.074 18.025 -1.360 1.00 1.00 N ATOM 315 CZ ARG A 40 -3.652 19.017 -1.998 1.00 1.00 C ATOM 316 NH1 ARG A 40 -3.180 20.227 -1.999 1.00 1.00 N ATOM 317 NH2 ARG A 40 -4.742 18.788 -2.667 1.00 1.00 N ATOM 0 H ARG A 40 -0.001 14.656 -3.376 1.00 1.00 H new ATOM 0 HA ARG A 40 -1.753 13.998 -1.170 1.00 1.00 H new ATOM 0 HB2 ARG A 40 0.219 15.614 -1.328 1.00 1.00 H new ATOM 0 HB3 ARG A 40 -0.789 16.631 -2.338 1.00 1.00 H new ATOM 0 HG2 ARG A 40 -2.204 15.981 0.106 1.00 1.00 H new ATOM 0 HG3 ARG A 40 -0.608 16.595 0.493 1.00 1.00 H new ATOM 0 HD2 ARG A 40 -2.104 18.478 0.457 1.00 1.00 H new ATOM 0 HD3 ARG A 40 -1.087 18.609 -0.964 1.00 1.00 H new ATOM 0 HE ARG A 40 -3.526 17.118 -1.477 1.00 1.00 H new ATOM 0 HH11 ARG A 40 -2.323 20.441 -1.488 1.00 1.00 H new ATOM 0 HH12 ARG A 40 -3.666 20.964 -2.510 1.00 1.00 H new ATOM 0 HH21 ARG A 40 -5.137 17.848 -2.692 1.00 1.00 H new ATOM 0 HH22 ARG A 40 -5.202 19.548 -3.168 1.00 1.00 H new ATOM 331 N CYS A 41 -3.976 14.121 -2.294 1.00 1.00 N ATOM 332 CA CYS A 41 -5.337 14.332 -2.816 1.00 1.00 C ATOM 333 C CYS A 41 -6.075 15.343 -1.934 1.00 1.00 C ATOM 334 O CYS A 41 -6.360 16.455 -2.393 1.00 1.00 O ATOM 335 CB CYS A 41 -6.096 13.008 -3.000 1.00 1.00 C ATOM 336 SG CYS A 41 -7.663 13.331 -3.864 1.00 1.00 S ATOM 0 H CYS A 41 -3.878 13.303 -1.692 1.00 1.00 H new ATOM 0 HA CYS A 41 -5.273 14.757 -3.818 1.00 1.00 H new ATOM 0 HB2 CYS A 41 -5.490 12.304 -3.571 1.00 1.00 H new ATOM 0 HB3 CYS A 41 -6.290 12.548 -2.031 1.00 1.00 H new ATOM 0 HG CYS A 41 -8.308 12.214 -4.024 1.00 1.00 H new ATOM 342 N ASN A 42 -6.340 14.972 -0.670 1.00 1.00 N ATOM 343 CA ASN A 42 -7.023 15.800 0.329 1.00 1.00 C ATOM 344 C ASN A 42 -8.287 16.510 -0.232 1.00 1.00 C ATOM 345 O ASN A 42 -8.403 17.735 -0.209 1.00 1.00 O ATOM 346 CB ASN A 42 -5.966 16.742 0.945 1.00 1.00 C ATOM 347 CG ASN A 42 -6.332 17.301 2.316 1.00 1.00 C ATOM 348 OD1 ASN A 42 -7.100 16.735 3.074 1.00 1.00 O ATOM 349 ND2 ASN A 42 -5.759 18.410 2.715 1.00 1.00 N ATOM 0 H ASN A 42 -6.074 14.056 -0.307 1.00 1.00 H new ATOM 0 HA ASN A 42 -7.439 15.180 1.123 1.00 1.00 H new ATOM 0 HB2 ASN A 42 -5.023 16.202 1.028 1.00 1.00 H new ATOM 0 HB3 ASN A 42 -5.798 17.574 0.261 1.00 1.00 H new ATOM 0 HD21 ASN A 42 -5.959 18.782 3.643 1.00 1.00 H new ATOM 0 HD22 ASN A 42 -5.113 18.901 2.097 1.00 1.00 H new ATOM 356 N LYS A 43 -9.230 15.714 -0.769 1.00 1.00 N ATOM 357 CA LYS A 43 -10.502 16.137 -1.406 1.00 1.00 C ATOM 358 C LYS A 43 -10.423 16.880 -2.761 1.00 1.00 C ATOM 359 O LYS A 43 -11.479 17.232 -3.285 1.00 1.00 O ATOM 360 CB LYS A 43 -11.353 16.922 -0.377 1.00 1.00 C ATOM 361 CG LYS A 43 -12.857 16.678 -0.536 1.00 1.00 C ATOM 362 CD LYS A 43 -13.776 17.868 -0.259 1.00 1.00 C ATOM 363 CE LYS A 43 -13.998 18.717 -1.518 1.00 1.00 C ATOM 364 NZ LYS A 43 -13.241 19.984 -1.524 1.00 1.00 N ATOM 0 H LYS A 43 -9.124 14.700 -0.773 1.00 1.00 H new ATOM 0 HA LYS A 43 -10.980 15.201 -1.696 1.00 1.00 H new ATOM 0 HB2 LYS A 43 -11.049 16.638 0.630 1.00 1.00 H new ATOM 0 HB3 LYS A 43 -11.150 17.988 -0.483 1.00 1.00 H new ATOM 0 HG2 LYS A 43 -13.041 16.335 -1.554 1.00 1.00 H new ATOM 0 HG3 LYS A 43 -13.143 15.864 0.131 1.00 1.00 H new ATOM 0 HD2 LYS A 43 -14.736 17.508 0.112 1.00 1.00 H new ATOM 0 HD3 LYS A 43 -13.343 18.488 0.526 1.00 1.00 H new ATOM 0 HE2 LYS A 43 -13.716 18.132 -2.394 1.00 1.00 H new ATOM 0 HE3 LYS A 43 -15.061 18.939 -1.612 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 -13.440 20.503 -2.403 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 -13.526 20.562 -0.708 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 -12.223 19.780 -1.465 1.00 1.00 H new ATOM 377 N THR A 44 -9.235 17.099 -3.349 1.00 1.00 N ATOM 378 CA THR A 44 -9.057 17.934 -4.570 1.00 1.00 C ATOM 379 C THR A 44 -9.498 17.305 -5.917 1.00 1.00 C ATOM 380 O THR A 44 -9.820 18.062 -6.830 1.00 1.00 O ATOM 381 CB THR A 44 -7.628 18.518 -4.631 1.00 1.00 C ATOM 382 OG1 THR A 44 -7.626 19.781 -5.246 1.00 1.00 O ATOM 383 CG2 THR A 44 -6.597 17.648 -5.352 1.00 1.00 C ATOM 0 H THR A 44 -8.362 16.705 -2.997 1.00 1.00 H new ATOM 0 HA THR A 44 -9.775 18.745 -4.448 1.00 1.00 H new ATOM 0 HB THR A 44 -7.328 18.575 -3.585 1.00 1.00 H new ATOM 0 HG1 THR A 44 -6.711 20.131 -5.272 1.00 1.00 H new ATOM 0 HG21 THR A 44 -5.628 18.147 -5.340 1.00 1.00 H new ATOM 0 HG22 THR A 44 -6.516 16.685 -4.847 1.00 1.00 H new ATOM 0 HG23 THR A 44 -6.911 17.491 -6.384 1.00 1.00 H new ATOM 391 N LEU A 45 -9.565 15.963 -6.059 1.00 1.00 N ATOM 392 CA LEU A 45 -10.033 15.256 -7.261 1.00 1.00 C ATOM 393 C LEU A 45 -10.982 14.100 -6.855 1.00 1.00 C ATOM 394 O LEU A 45 -10.511 13.155 -6.217 1.00 1.00 O ATOM 395 CB LEU A 45 -8.817 14.730 -8.073 1.00 1.00 C ATOM 396 CG LEU A 45 -8.253 15.524 -9.279 1.00 1.00 C ATOM 397 CD1 LEU A 45 -9.335 16.059 -10.227 1.00 1.00 C ATOM 398 CD2 LEU A 45 -7.309 16.651 -8.859 1.00 1.00 C ATOM 0 H LEU A 45 -9.285 15.326 -5.313 1.00 1.00 H new ATOM 0 HA LEU A 45 -10.590 15.945 -7.896 1.00 1.00 H new ATOM 0 HB2 LEU A 45 -7.997 14.597 -7.368 1.00 1.00 H new ATOM 0 HB3 LEU A 45 -9.084 13.739 -8.441 1.00 1.00 H new ATOM 0 HG LEU A 45 -7.674 14.788 -9.837 1.00 1.00 H new ATOM 0 HD11 LEU A 45 -8.865 16.603 -11.046 1.00 1.00 H new ATOM 0 HD12 LEU A 45 -9.911 15.226 -10.629 1.00 1.00 H new ATOM 0 HD13 LEU A 45 -9.999 16.729 -9.680 1.00 1.00 H new ATOM 0 HD21 LEU A 45 -6.946 17.171 -9.746 1.00 1.00 H new ATOM 0 HD22 LEU A 45 -7.843 17.354 -8.219 1.00 1.00 H new ATOM 0 HD23 LEU A 45 -6.464 16.233 -8.312 1.00 1.00 H new ATOM 410 N PRO A 46 -12.307 14.181 -7.122 1.00 1.00 N ATOM 411 CA PRO A 46 -13.244 13.058 -6.969 1.00 1.00 C ATOM 412 C PRO A 46 -13.217 12.145 -8.224 1.00 1.00 C ATOM 413 O PRO A 46 -13.069 12.628 -9.349 1.00 1.00 O ATOM 414 CB PRO A 46 -14.622 13.704 -6.794 1.00 1.00 C ATOM 415 CG PRO A 46 -14.507 15.003 -7.594 1.00 1.00 C ATOM 416 CD PRO A 46 -13.023 15.371 -7.572 1.00 1.00 C ATOM 0 HA PRO A 46 -12.984 12.424 -6.121 1.00 1.00 H new ATOM 0 HB2 PRO A 46 -15.417 13.065 -7.177 1.00 1.00 H new ATOM 0 HB3 PRO A 46 -14.846 13.896 -5.745 1.00 1.00 H new ATOM 0 HG2 PRO A 46 -14.862 14.867 -8.616 1.00 1.00 H new ATOM 0 HG3 PRO A 46 -15.113 15.792 -7.149 1.00 1.00 H new ATOM 0 HD2 PRO A 46 -12.684 15.676 -8.562 1.00 1.00 H new ATOM 0 HD3 PRO A 46 -12.841 16.210 -6.900 1.00 1.00 H new ATOM 424 N ILE A 47 -13.367 10.823 -8.038 1.00 1.00 N ATOM 425 CA ILE A 47 -13.315 9.789 -9.104 1.00 1.00 C ATOM 426 C ILE A 47 -14.370 8.683 -8.854 1.00 1.00 C ATOM 427 O ILE A 47 -15.561 8.975 -8.932 1.00 1.00 O ATOM 428 CB ILE A 47 -11.858 9.277 -9.380 1.00 1.00 C ATOM 429 CG1 ILE A 47 -11.041 9.034 -8.082 1.00 1.00 C ATOM 430 CG2 ILE A 47 -11.116 10.138 -10.426 1.00 1.00 C ATOM 431 CD1 ILE A 47 -10.184 10.187 -7.524 1.00 1.00 C ATOM 0 H ILE A 47 -13.534 10.424 -7.114 1.00 1.00 H new ATOM 0 HA ILE A 47 -13.601 10.252 -10.048 1.00 1.00 H new ATOM 0 HB ILE A 47 -11.963 8.291 -9.833 1.00 1.00 H new ATOM 0 HG12 ILE A 47 -11.740 8.734 -7.302 1.00 1.00 H new ATOM 0 HG13 ILE A 47 -10.380 8.186 -8.261 1.00 1.00 H new ATOM 0 HG21 ILE A 47 -10.113 9.740 -10.579 1.00 1.00 H new ATOM 0 HG22 ILE A 47 -11.663 10.117 -11.369 1.00 1.00 H new ATOM 0 HG23 ILE A 47 -11.048 11.166 -10.069 1.00 1.00 H new ATOM 0 HD11 ILE A 47 -9.677 9.858 -6.617 1.00 1.00 H new ATOM 0 HD12 ILE A 47 -9.443 10.482 -8.267 1.00 1.00 H new ATOM 0 HD13 ILE A 47 -10.825 11.038 -7.293 1.00 1.00 H new ATOM 443 N ALA A 48 -13.973 7.430 -8.587 1.00 1.00 N ATOM 444 CA ALA A 48 -14.838 6.258 -8.404 1.00 1.00 C ATOM 445 C ALA A 48 -14.085 5.174 -7.606 1.00 1.00 C ATOM 446 O ALA A 48 -13.043 4.685 -8.048 1.00 1.00 O ATOM 447 CB ALA A 48 -15.293 5.743 -9.783 1.00 1.00 C ATOM 0 H ALA A 48 -12.985 7.196 -8.488 1.00 1.00 H new ATOM 0 HA ALA A 48 -15.726 6.529 -7.834 1.00 1.00 H new ATOM 0 HB1 ALA A 48 -15.936 4.872 -9.652 1.00 1.00 H new ATOM 0 HB2 ALA A 48 -15.845 6.528 -10.300 1.00 1.00 H new ATOM 0 HB3 ALA A 48 -14.420 5.464 -10.373 1.00 1.00 H new ATOM 453 N PHE A 49 -14.620 4.804 -6.439 1.00 1.00 N ATOM 454 CA PHE A 49 -14.009 3.903 -5.453 1.00 1.00 C ATOM 455 C PHE A 49 -14.959 2.724 -5.192 1.00 1.00 C ATOM 456 O PHE A 49 -16.074 2.903 -4.691 1.00 1.00 O ATOM 457 CB PHE A 49 -13.658 4.687 -4.173 1.00 1.00 C ATOM 458 CG PHE A 49 -13.051 6.068 -4.376 1.00 1.00 C ATOM 459 CD1 PHE A 49 -11.670 6.228 -4.635 1.00 1.00 C ATOM 460 CD2 PHE A 49 -13.898 7.197 -4.383 1.00 1.00 C ATOM 461 CE1 PHE A 49 -11.142 7.509 -4.904 1.00 1.00 C ATOM 462 CE2 PHE A 49 -13.374 8.478 -4.668 1.00 1.00 C ATOM 463 CZ PHE A 49 -11.997 8.632 -4.926 1.00 1.00 C ATOM 0 H PHE A 49 -15.535 5.140 -6.140 1.00 1.00 H new ATOM 0 HA PHE A 49 -13.074 3.492 -5.834 1.00 1.00 H new ATOM 0 HB2 PHE A 49 -14.565 4.795 -3.578 1.00 1.00 H new ATOM 0 HB3 PHE A 49 -12.961 4.089 -3.585 1.00 1.00 H new ATOM 0 HD1 PHE A 49 -11.017 5.367 -4.627 1.00 1.00 H new ATOM 0 HD2 PHE A 49 -14.950 7.081 -4.170 1.00 1.00 H new ATOM 0 HE1 PHE A 49 -10.086 7.630 -5.093 1.00 1.00 H new ATOM 0 HE2 PHE A 49 -14.028 9.338 -4.688 1.00 1.00 H new ATOM 0 HZ PHE A 49 -11.595 9.611 -5.141 1.00 1.00 H new ATOM 473 N LYS A 50 -14.534 1.516 -5.596 1.00 1.00 N ATOM 474 CA LYS A 50 -15.351 0.290 -5.585 1.00 1.00 C ATOM 475 C LYS A 50 -14.617 -0.821 -4.827 1.00 1.00 C ATOM 476 O LYS A 50 -13.507 -1.190 -5.203 1.00 1.00 O ATOM 477 CB LYS A 50 -15.735 -0.120 -7.022 1.00 1.00 C ATOM 478 CG LYS A 50 -16.469 0.984 -7.804 1.00 1.00 C ATOM 479 CD LYS A 50 -16.903 0.512 -9.193 1.00 1.00 C ATOM 480 CE LYS A 50 -17.266 1.674 -10.121 1.00 1.00 C ATOM 481 NZ LYS A 50 -16.091 2.151 -10.879 1.00 1.00 N ATOM 0 H LYS A 50 -13.589 1.360 -5.948 1.00 1.00 H new ATOM 0 HA LYS A 50 -16.285 0.479 -5.056 1.00 1.00 H new ATOM 0 HB2 LYS A 50 -14.832 -0.398 -7.565 1.00 1.00 H new ATOM 0 HB3 LYS A 50 -16.368 -1.006 -6.981 1.00 1.00 H new ATOM 0 HG2 LYS A 50 -17.345 1.306 -7.241 1.00 1.00 H new ATOM 0 HG3 LYS A 50 -15.817 1.852 -7.903 1.00 1.00 H new ATOM 0 HD2 LYS A 50 -16.099 -0.070 -9.643 1.00 1.00 H new ATOM 0 HD3 LYS A 50 -17.762 -0.152 -9.095 1.00 1.00 H new ATOM 0 HE2 LYS A 50 -18.044 1.357 -10.816 1.00 1.00 H new ATOM 0 HE3 LYS A 50 -17.679 2.494 -9.534 1.00 1.00 H new ATOM 0 HZ1 LYS A 50 -16.373 2.938 -11.497 1.00 1.00 H new ATOM 0 HZ2 LYS A 50 -15.359 2.477 -10.216 1.00 1.00 H new ATOM 0 HZ3 LYS A 50 -15.713 1.374 -11.458 1.00 1.00 H new ATOM 494 N VAL A 51 -15.207 -1.317 -3.734 1.00 1.00 N ATOM 495 CA VAL A 51 -14.617 -2.347 -2.844 1.00 1.00 C ATOM 496 C VAL A 51 -15.657 -3.419 -2.509 1.00 1.00 C ATOM 497 O VAL A 51 -16.810 -3.106 -2.201 1.00 1.00 O ATOM 498 CB VAL A 51 -13.962 -1.756 -1.562 1.00 1.00 C ATOM 499 CG1 VAL A 51 -13.105 -2.819 -0.843 1.00 1.00 C ATOM 500 CG2 VAL A 51 -13.075 -0.527 -1.850 1.00 1.00 C ATOM 0 H VAL A 51 -16.131 -1.012 -3.428 1.00 1.00 H new ATOM 0 HA VAL A 51 -13.800 -2.812 -3.395 1.00 1.00 H new ATOM 0 HB VAL A 51 -14.789 -1.439 -0.927 1.00 1.00 H new ATOM 0 HG11 VAL A 51 -12.658 -2.382 0.050 1.00 1.00 H new ATOM 0 HG12 VAL A 51 -13.734 -3.662 -0.558 1.00 1.00 H new ATOM 0 HG13 VAL A 51 -12.317 -3.164 -1.512 1.00 1.00 H new ATOM 0 HG21 VAL A 51 -12.647 -0.161 -0.917 1.00 1.00 H new ATOM 0 HG22 VAL A 51 -12.272 -0.809 -2.531 1.00 1.00 H new ATOM 0 HG23 VAL A 51 -13.678 0.258 -2.305 1.00 1.00 H new ATOM 510 N VAL A 52 -15.242 -4.688 -2.590 1.00 1.00 N ATOM 511 CA VAL A 52 -16.074 -5.883 -2.361 1.00 1.00 C ATOM 512 C VAL A 52 -15.323 -6.911 -1.494 1.00 1.00 C ATOM 513 O VAL A 52 -14.119 -7.116 -1.653 1.00 1.00 O ATOM 514 CB VAL A 52 -16.541 -6.508 -3.709 1.00 1.00 C ATOM 515 CG1 VAL A 52 -17.429 -7.756 -3.521 1.00 1.00 C ATOM 516 CG2 VAL A 52 -17.331 -5.501 -4.578 1.00 1.00 C ATOM 0 H VAL A 52 -14.278 -4.924 -2.826 1.00 1.00 H new ATOM 0 HA VAL A 52 -16.967 -5.577 -1.817 1.00 1.00 H new ATOM 0 HB VAL A 52 -15.616 -6.794 -4.210 1.00 1.00 H new ATOM 0 HG11 VAL A 52 -17.722 -8.145 -4.496 1.00 1.00 H new ATOM 0 HG12 VAL A 52 -16.873 -8.520 -2.978 1.00 1.00 H new ATOM 0 HG13 VAL A 52 -18.321 -7.486 -2.956 1.00 1.00 H new ATOM 0 HG21 VAL A 52 -17.635 -5.983 -5.507 1.00 1.00 H new ATOM 0 HG22 VAL A 52 -18.216 -5.168 -4.035 1.00 1.00 H new ATOM 0 HG23 VAL A 52 -16.699 -4.642 -4.805 1.00 1.00 H new ATOM 526 N ALA A 53 -16.040 -7.584 -0.592 1.00 1.00 N ATOM 527 CA ALA A 53 -15.556 -8.728 0.188 1.00 1.00 C ATOM 528 C ALA A 53 -16.268 -10.027 -0.235 1.00 1.00 C ATOM 529 O ALA A 53 -17.453 -10.019 -0.578 1.00 1.00 O ATOM 530 CB ALA A 53 -15.677 -8.465 1.702 1.00 1.00 C ATOM 0 H ALA A 53 -17.007 -7.340 -0.376 1.00 1.00 H new ATOM 0 HA ALA A 53 -14.495 -8.859 -0.026 1.00 1.00 H new ATOM 0 HB1 ALA A 53 -15.310 -9.331 2.252 1.00 1.00 H new ATOM 0 HB2 ALA A 53 -15.085 -7.589 1.968 1.00 1.00 H new ATOM 0 HB3 ALA A 53 -16.722 -8.288 1.958 1.00 1.00 H new ATOM 536 N LEU A 54 -15.542 -11.151 -0.180 1.00 1.00 N ATOM 537 CA LEU A 54 -16.116 -12.493 -0.367 1.00 1.00 C ATOM 538 C LEU A 54 -16.919 -12.915 0.894 1.00 1.00 C ATOM 539 O LEU A 54 -16.485 -12.694 2.026 1.00 1.00 O ATOM 540 CB LEU A 54 -14.999 -13.493 -0.713 1.00 1.00 C ATOM 541 CG LEU A 54 -15.493 -14.908 -1.091 1.00 1.00 C ATOM 542 CD1 LEU A 54 -14.768 -15.372 -2.357 1.00 1.00 C ATOM 543 CD2 LEU A 54 -15.282 -15.920 0.043 1.00 1.00 C ATOM 0 H LEU A 54 -14.537 -11.157 -0.004 1.00 1.00 H new ATOM 0 HA LEU A 54 -16.817 -12.482 -1.202 1.00 1.00 H new ATOM 0 HB2 LEU A 54 -14.416 -13.093 -1.543 1.00 1.00 H new ATOM 0 HB3 LEU A 54 -14.325 -13.574 0.140 1.00 1.00 H new ATOM 0 HG LEU A 54 -16.567 -14.854 -1.272 1.00 1.00 H new ATOM 0 HD11 LEU A 54 -15.112 -16.370 -2.629 1.00 1.00 H new ATOM 0 HD12 LEU A 54 -14.981 -14.680 -3.172 1.00 1.00 H new ATOM 0 HD13 LEU A 54 -13.694 -15.397 -2.173 1.00 1.00 H new ATOM 0 HD21 LEU A 54 -15.645 -16.899 -0.271 1.00 1.00 H new ATOM 0 HD22 LEU A 54 -14.220 -15.985 0.279 1.00 1.00 H new ATOM 0 HD23 LEU A 54 -15.831 -15.596 0.927 1.00 1.00 H new ATOM 555 N GLY A 55 -18.075 -13.556 0.674 1.00 1.00 N ATOM 556 CA GLY A 55 -19.096 -13.909 1.680 1.00 1.00 C ATOM 557 C GLY A 55 -20.396 -13.092 1.505 1.00 1.00 C ATOM 558 O GLY A 55 -20.524 -12.333 0.542 1.00 1.00 O ATOM 0 H GLY A 55 -18.341 -13.861 -0.262 1.00 1.00 H new ATOM 0 HA2 GLY A 55 -19.324 -14.972 1.605 1.00 1.00 H new ATOM 0 HA3 GLY A 55 -18.694 -13.739 2.679 1.00 1.00 H new ATOM 562 N ASP A 56 -21.379 -13.288 2.401 1.00 1.00 N ATOM 563 CA ASP A 56 -22.678 -12.577 2.384 1.00 1.00 C ATOM 564 C ASP A 56 -23.348 -12.534 3.782 1.00 1.00 C ATOM 565 O ASP A 56 -23.994 -13.501 4.196 1.00 1.00 O ATOM 566 CB ASP A 56 -23.571 -13.234 1.309 1.00 1.00 C ATOM 567 CG ASP A 56 -24.498 -12.276 0.543 1.00 1.00 C ATOM 568 OD1 ASP A 56 -24.022 -11.732 -0.478 1.00 1.00 O ATOM 569 OD2 ASP A 56 -25.669 -12.119 0.952 1.00 1.00 O ATOM 0 H ASP A 56 -21.296 -13.953 3.170 1.00 1.00 H new ATOM 0 HA ASP A 56 -22.519 -11.530 2.125 1.00 1.00 H new ATOM 0 HB2 ASP A 56 -22.929 -13.743 0.590 1.00 1.00 H new ATOM 0 HB3 ASP A 56 -24.183 -13.999 1.788 1.00 1.00 H new ATOM 574 N VAL A 57 -23.135 -11.444 4.544 1.00 1.00 N ATOM 575 CA VAL A 57 -23.666 -11.187 5.910 1.00 1.00 C ATOM 576 C VAL A 57 -23.730 -9.674 6.245 1.00 1.00 C ATOM 577 O VAL A 57 -22.848 -8.939 5.802 1.00 1.00 O ATOM 578 CB VAL A 57 -22.812 -11.944 6.975 1.00 1.00 C ATOM 579 CG1 VAL A 57 -21.377 -11.412 7.180 1.00 1.00 C ATOM 580 CG2 VAL A 57 -23.506 -11.995 8.346 1.00 1.00 C ATOM 0 H VAL A 57 -22.557 -10.673 4.211 1.00 1.00 H new ATOM 0 HA VAL A 57 -24.689 -11.564 5.933 1.00 1.00 H new ATOM 0 HB VAL A 57 -22.725 -12.942 6.546 1.00 1.00 H new ATOM 0 HG11 VAL A 57 -20.873 -12.009 7.940 1.00 1.00 H new ATOM 0 HG12 VAL A 57 -20.826 -11.480 6.242 1.00 1.00 H new ATOM 0 HG13 VAL A 57 -21.417 -10.372 7.503 1.00 1.00 H new ATOM 0 HG21 VAL A 57 -22.874 -12.531 9.054 1.00 1.00 H new ATOM 0 HG22 VAL A 57 -23.675 -10.980 8.706 1.00 1.00 H new ATOM 0 HG23 VAL A 57 -24.462 -12.510 8.251 1.00 1.00 H new ATOM 590 N PRO A 58 -24.700 -9.172 7.052 1.00 1.00 N ATOM 591 CA PRO A 58 -24.692 -7.781 7.540 1.00 1.00 C ATOM 592 C PRO A 58 -23.413 -7.444 8.345 1.00 1.00 C ATOM 593 O PRO A 58 -22.830 -8.312 8.994 1.00 1.00 O ATOM 594 CB PRO A 58 -25.963 -7.598 8.378 1.00 1.00 C ATOM 595 CG PRO A 58 -26.449 -9.017 8.668 1.00 1.00 C ATOM 596 CD PRO A 58 -25.863 -9.885 7.556 1.00 1.00 C ATOM 0 HA PRO A 58 -24.683 -7.087 6.699 1.00 1.00 H new ATOM 0 HB2 PRO A 58 -25.754 -7.056 9.300 1.00 1.00 H new ATOM 0 HB3 PRO A 58 -26.715 -7.026 7.835 1.00 1.00 H new ATOM 0 HG2 PRO A 58 -26.112 -9.355 9.648 1.00 1.00 H new ATOM 0 HG3 PRO A 58 -27.538 -9.066 8.671 1.00 1.00 H new ATOM 0 HD2 PRO A 58 -25.582 -10.867 7.936 1.00 1.00 H new ATOM 0 HD3 PRO A 58 -26.593 -10.047 6.763 1.00 1.00 H new ATOM 604 N ASP A 59 -23.008 -6.165 8.316 1.00 1.00 N ATOM 605 CA ASP A 59 -21.749 -5.605 8.852 1.00 1.00 C ATOM 606 C ASP A 59 -20.501 -6.048 8.043 1.00 1.00 C ATOM 607 O ASP A 59 -19.945 -7.130 8.232 1.00 1.00 O ATOM 608 CB ASP A 59 -21.658 -5.820 10.378 1.00 1.00 C ATOM 609 CG ASP A 59 -22.780 -5.125 11.177 1.00 1.00 C ATOM 610 OD1 ASP A 59 -23.285 -4.088 10.695 1.00 1.00 O ATOM 611 OD2 ASP A 59 -23.126 -5.662 12.256 1.00 1.00 O ATOM 0 H ASP A 59 -23.588 -5.442 7.889 1.00 1.00 H new ATOM 0 HA ASP A 59 -21.765 -4.524 8.711 1.00 1.00 H new ATOM 0 HB2 ASP A 59 -21.686 -6.890 10.586 1.00 1.00 H new ATOM 0 HB3 ASP A 59 -20.694 -5.452 10.730 1.00 1.00 H new ATOM 616 N GLY A 60 -20.054 -5.186 7.112 1.00 1.00 N ATOM 617 CA GLY A 60 -19.014 -5.437 6.109 1.00 1.00 C ATOM 618 C GLY A 60 -17.655 -4.815 6.416 1.00 1.00 C ATOM 619 O GLY A 60 -16.695 -5.209 5.763 1.00 1.00 O ATOM 0 H GLY A 60 -20.434 -4.242 7.039 1.00 1.00 H new ATOM 0 HA2 GLY A 60 -18.887 -6.514 6.001 1.00 1.00 H new ATOM 0 HA3 GLY A 60 -19.360 -5.059 5.147 1.00 1.00 H new ATOM 623 N THR A 61 -17.577 -3.868 7.369 1.00 1.00 N ATOM 624 CA THR A 61 -16.341 -3.260 7.958 1.00 1.00 C ATOM 625 C THR A 61 -15.909 -1.937 7.295 1.00 1.00 C ATOM 626 O THR A 61 -16.694 -1.390 6.525 1.00 1.00 O ATOM 627 CB THR A 61 -15.194 -4.304 8.111 1.00 1.00 C ATOM 628 OG1 THR A 61 -14.629 -4.139 9.386 1.00 1.00 O ATOM 629 CG2 THR A 61 -14.063 -4.285 7.067 1.00 1.00 C ATOM 0 H THR A 61 -18.421 -3.473 7.783 1.00 1.00 H new ATOM 0 HA THR A 61 -16.608 -2.956 8.970 1.00 1.00 H new ATOM 0 HB THR A 61 -15.678 -5.268 7.952 1.00 1.00 H new ATOM 0 HG1 THR A 61 -14.430 -5.018 9.772 1.00 1.00 H new ATOM 0 HG21 THR A 61 -13.339 -5.065 7.301 1.00 1.00 H new ATOM 0 HG22 THR A 61 -14.480 -4.463 6.076 1.00 1.00 H new ATOM 0 HG23 THR A 61 -13.569 -3.314 7.084 1.00 1.00 H new ATOM 637 N LEU A 62 -14.732 -1.369 7.621 1.00 1.00 N ATOM 638 CA LEU A 62 -14.268 -0.051 7.160 1.00 1.00 C ATOM 639 C LEU A 62 -13.195 -0.089 6.042 1.00 1.00 C ATOM 640 O LEU A 62 -12.140 -0.704 6.176 1.00 1.00 O ATOM 641 CB LEU A 62 -13.736 0.705 8.400 1.00 1.00 C ATOM 642 CG LEU A 62 -14.728 1.635 9.131 1.00 1.00 C ATOM 643 CD1 LEU A 62 -15.809 0.843 9.878 1.00 1.00 C ATOM 644 CD2 LEU A 62 -13.973 2.516 10.139 1.00 1.00 C ATOM 0 H LEU A 62 -14.058 -1.831 8.232 1.00 1.00 H new ATOM 0 HA LEU A 62 -15.115 0.456 6.697 1.00 1.00 H new ATOM 0 HB2 LEU A 62 -13.372 -0.032 9.116 1.00 1.00 H new ATOM 0 HB3 LEU A 62 -12.877 1.301 8.091 1.00 1.00 H new ATOM 0 HG LEU A 62 -15.213 2.252 8.374 1.00 1.00 H new ATOM 0 HD11 LEU A 62 -16.486 1.535 10.379 1.00 1.00 H new ATOM 0 HD12 LEU A 62 -16.370 0.235 9.168 1.00 1.00 H new ATOM 0 HD13 LEU A 62 -15.339 0.195 10.618 1.00 1.00 H new ATOM 0 HD21 LEU A 62 -14.679 3.170 10.651 1.00 1.00 H new ATOM 0 HD22 LEU A 62 -13.469 1.883 10.869 1.00 1.00 H new ATOM 0 HD23 LEU A 62 -13.235 3.121 9.612 1.00 1.00 H new ATOM 656 N VAL A 63 -13.434 0.661 4.960 1.00 1.00 N ATOM 657 CA VAL A 63 -12.498 0.984 3.865 1.00 1.00 C ATOM 658 C VAL A 63 -11.868 2.317 4.252 1.00 1.00 C ATOM 659 O VAL A 63 -12.578 3.311 4.407 1.00 1.00 O ATOM 660 CB VAL A 63 -13.176 1.063 2.471 1.00 1.00 C ATOM 661 CG1 VAL A 63 -12.378 1.857 1.412 1.00 1.00 C ATOM 662 CG2 VAL A 63 -13.362 -0.354 1.909 1.00 1.00 C ATOM 0 H VAL A 63 -14.347 1.090 4.812 1.00 1.00 H new ATOM 0 HA VAL A 63 -11.759 0.190 3.755 1.00 1.00 H new ATOM 0 HB VAL A 63 -14.118 1.584 2.644 1.00 1.00 H new ATOM 0 HG11 VAL A 63 -12.926 1.860 0.470 1.00 1.00 H new ATOM 0 HG12 VAL A 63 -12.239 2.883 1.754 1.00 1.00 H new ATOM 0 HG13 VAL A 63 -11.405 1.389 1.264 1.00 1.00 H new ATOM 0 HG21 VAL A 63 -13.838 -0.298 0.930 1.00 1.00 H new ATOM 0 HG22 VAL A 63 -12.390 -0.838 1.812 1.00 1.00 H new ATOM 0 HG23 VAL A 63 -13.990 -0.934 2.585 1.00 1.00 H new ATOM 672 N THR A 64 -10.546 2.287 4.466 1.00 1.00 N ATOM 673 CA THR A 64 -9.695 3.396 4.938 1.00 1.00 C ATOM 674 C THR A 64 -8.473 3.580 4.023 1.00 1.00 C ATOM 675 O THR A 64 -7.611 2.703 3.953 1.00 1.00 O ATOM 676 CB THR A 64 -9.204 3.133 6.386 1.00 1.00 C ATOM 677 OG1 THR A 64 -8.667 1.830 6.493 1.00 1.00 O ATOM 678 CG2 THR A 64 -10.313 3.281 7.430 1.00 1.00 C ATOM 0 H THR A 64 -10.005 1.437 4.305 1.00 1.00 H new ATOM 0 HA THR A 64 -10.300 4.303 4.917 1.00 1.00 H new ATOM 0 HB THR A 64 -8.443 3.887 6.588 1.00 1.00 H new ATOM 0 HG1 THR A 64 -8.204 1.597 5.661 1.00 1.00 H new ATOM 0 HG21 THR A 64 -9.907 3.085 8.422 1.00 1.00 H new ATOM 0 HG22 THR A 64 -10.712 4.295 7.395 1.00 1.00 H new ATOM 0 HG23 THR A 64 -11.111 2.569 7.217 1.00 1.00 H new ATOM 686 N VAL A 65 -8.336 4.747 3.357 1.00 1.00 N ATOM 687 CA VAL A 65 -7.101 5.074 2.598 1.00 1.00 C ATOM 688 C VAL A 65 -6.316 6.196 3.302 1.00 1.00 C ATOM 689 O VAL A 65 -6.716 7.357 3.304 1.00 1.00 O ATOM 690 CB VAL A 65 -7.279 5.251 1.056 1.00 1.00 C ATOM 691 CG1 VAL A 65 -8.002 4.047 0.429 1.00 1.00 C ATOM 692 CG2 VAL A 65 -7.964 6.500 0.466 1.00 1.00 C ATOM 0 H VAL A 65 -9.053 5.472 3.327 1.00 1.00 H new ATOM 0 HA VAL A 65 -6.476 4.181 2.625 1.00 1.00 H new ATOM 0 HB VAL A 65 -6.226 5.364 0.797 1.00 1.00 H new ATOM 0 HG11 VAL A 65 -8.108 4.205 -0.644 1.00 1.00 H new ATOM 0 HG12 VAL A 65 -7.422 3.141 0.607 1.00 1.00 H new ATOM 0 HG13 VAL A 65 -8.989 3.940 0.879 1.00 1.00 H new ATOM 0 HG21 VAL A 65 -7.985 6.424 -0.621 1.00 1.00 H new ATOM 0 HG22 VAL A 65 -8.984 6.569 0.844 1.00 1.00 H new ATOM 0 HG23 VAL A 65 -7.408 7.391 0.757 1.00 1.00 H new ATOM 702 N MET A 66 -5.153 5.823 3.861 1.00 1.00 N ATOM 703 CA MET A 66 -4.173 6.682 4.554 1.00 1.00 C ATOM 704 C MET A 66 -2.732 6.200 4.273 1.00 1.00 C ATOM 705 O MET A 66 -2.301 5.164 4.787 1.00 1.00 O ATOM 706 CB MET A 66 -4.420 6.657 6.071 1.00 1.00 C ATOM 707 CG MET A 66 -5.642 7.409 6.594 1.00 1.00 C ATOM 708 SD MET A 66 -5.690 7.379 8.410 1.00 1.00 S ATOM 709 CE MET A 66 -7.054 8.517 8.749 1.00 1.00 C ATOM 0 H MET A 66 -4.850 4.849 3.841 1.00 1.00 H new ATOM 0 HA MET A 66 -4.293 7.698 4.179 1.00 1.00 H new ATOM 0 HB2 MET A 66 -4.506 5.616 6.382 1.00 1.00 H new ATOM 0 HB3 MET A 66 -3.537 7.064 6.563 1.00 1.00 H new ATOM 0 HG2 MET A 66 -5.617 8.441 6.243 1.00 1.00 H new ATOM 0 HG3 MET A 66 -6.550 6.958 6.194 1.00 1.00 H new ATOM 0 HE1 MET A 66 -7.132 8.682 9.824 1.00 1.00 H new ATOM 0 HE2 MET A 66 -6.868 9.467 8.249 1.00 1.00 H new ATOM 0 HE3 MET A 66 -7.986 8.089 8.379 1.00 1.00 H new ATOM 719 N ALA A 67 -1.965 6.950 3.455 1.00 1.00 N ATOM 720 CA ALA A 67 -0.604 6.558 3.069 1.00 1.00 C ATOM 721 C ALA A 67 0.454 7.360 3.846 1.00 1.00 C ATOM 722 O ALA A 67 0.729 8.524 3.553 1.00 1.00 O ATOM 723 CB ALA A 67 -0.438 6.700 1.544 1.00 1.00 C ATOM 0 H ALA A 67 -2.272 7.834 3.050 1.00 1.00 H new ATOM 0 HA ALA A 67 -0.448 5.512 3.333 1.00 1.00 H new ATOM 0 HB1 ALA A 67 0.573 6.409 1.259 1.00 1.00 H new ATOM 0 HB2 ALA A 67 -1.157 6.056 1.038 1.00 1.00 H new ATOM 0 HB3 ALA A 67 -0.612 7.736 1.254 1.00 1.00 H new ATOM 729 N GLY A 68 1.089 6.680 4.805 1.00 1.00 N ATOM 730 CA GLY A 68 2.241 7.133 5.590 1.00 1.00 C ATOM 731 C GLY A 68 3.196 5.979 5.944 1.00 1.00 C ATOM 732 O GLY A 68 2.881 4.800 5.779 1.00 1.00 O ATOM 0 H GLY A 68 0.794 5.740 5.070 1.00 1.00 H new ATOM 0 HA2 GLY A 68 2.785 7.892 5.028 1.00 1.00 H new ATOM 0 HA3 GLY A 68 1.890 7.606 6.507 1.00 1.00 H new ATOM 736 N ASN A 69 4.386 6.344 6.430 1.00 1.00 N ATOM 737 CA ASN A 69 5.533 5.487 6.772 1.00 1.00 C ATOM 738 C ASN A 69 6.112 4.584 5.639 1.00 1.00 C ATOM 739 O ASN A 69 7.322 4.376 5.637 1.00 1.00 O ATOM 740 CB ASN A 69 5.256 4.778 8.110 1.00 1.00 C ATOM 741 CG ASN A 69 6.468 4.668 9.042 1.00 1.00 C ATOM 742 OD1 ASN A 69 6.424 5.024 10.207 1.00 1.00 O ATOM 743 ND2 ASN A 69 7.591 4.190 8.547 1.00 1.00 N ATOM 0 H ASN A 69 4.592 7.326 6.610 1.00 1.00 H new ATOM 0 HA ASN A 69 6.387 6.151 6.902 1.00 1.00 H new ATOM 0 HB2 ASN A 69 4.462 5.313 8.631 1.00 1.00 H new ATOM 0 HB3 ASN A 69 4.882 3.775 7.903 1.00 1.00 H new ATOM 0 HD21 ASN A 69 8.419 4.119 9.138 1.00 1.00 H new ATOM 0 HD22 ASN A 69 7.632 3.891 7.573 1.00 1.00 H new ATOM 750 N ASP A 70 5.294 4.078 4.698 1.00 1.00 N ATOM 751 CA ASP A 70 5.635 3.371 3.433 1.00 1.00 C ATOM 752 C ASP A 70 6.391 4.264 2.407 1.00 1.00 C ATOM 753 O ASP A 70 7.100 3.768 1.532 1.00 1.00 O ATOM 754 CB ASP A 70 4.308 2.890 2.806 1.00 1.00 C ATOM 755 CG ASP A 70 4.395 2.025 1.532 1.00 1.00 C ATOM 756 OD1 ASP A 70 4.978 0.920 1.608 1.00 1.00 O ATOM 757 OD2 ASP A 70 3.796 2.430 0.509 1.00 1.00 O ATOM 0 H ASP A 70 4.283 4.157 4.806 1.00 1.00 H new ATOM 0 HA ASP A 70 6.308 2.548 3.674 1.00 1.00 H new ATOM 0 HB2 ASP A 70 3.765 2.322 3.562 1.00 1.00 H new ATOM 0 HB3 ASP A 70 3.707 3.769 2.575 1.00 1.00 H new ATOM 762 N GLU A 71 6.243 5.589 2.544 1.00 1.00 N ATOM 763 CA GLU A 71 6.853 6.665 1.756 1.00 1.00 C ATOM 764 C GLU A 71 7.686 7.578 2.682 1.00 1.00 C ATOM 765 O GLU A 71 8.911 7.607 2.579 1.00 1.00 O ATOM 766 CB GLU A 71 5.719 7.396 1.014 1.00 1.00 C ATOM 767 CG GLU A 71 6.151 8.566 0.124 1.00 1.00 C ATOM 768 CD GLU A 71 6.407 9.878 0.879 1.00 1.00 C ATOM 769 OE1 GLU A 71 5.600 10.249 1.759 1.00 1.00 O ATOM 770 OE2 GLU A 71 7.467 10.487 0.573 1.00 1.00 O ATOM 0 H GLU A 71 5.639 5.967 3.274 1.00 1.00 H new ATOM 0 HA GLU A 71 7.551 6.286 1.010 1.00 1.00 H new ATOM 0 HB2 GLU A 71 5.188 6.671 0.397 1.00 1.00 H new ATOM 0 HB3 GLU A 71 5.008 7.768 1.752 1.00 1.00 H new ATOM 0 HG2 GLU A 71 7.059 8.285 -0.409 1.00 1.00 H new ATOM 0 HG3 GLU A 71 5.381 8.738 -0.628 1.00 1.00 H new ATOM 777 N ASN A 72 7.008 8.302 3.586 1.00 1.00 N ATOM 778 CA ASN A 72 7.571 9.166 4.615 1.00 1.00 C ATOM 779 C ASN A 72 6.709 9.138 5.900 1.00 1.00 C ATOM 780 O ASN A 72 6.981 8.370 6.816 1.00 1.00 O ATOM 781 CB ASN A 72 7.714 10.571 3.984 1.00 1.00 C ATOM 782 CG ASN A 72 9.128 10.963 3.629 1.00 1.00 C ATOM 783 OD1 ASN A 72 9.988 11.140 4.475 1.00 1.00 O ATOM 784 ND2 ASN A 72 9.374 11.158 2.360 1.00 1.00 N ATOM 0 H ASN A 72 5.988 8.294 3.613 1.00 1.00 H new ATOM 0 HA ASN A 72 8.553 8.823 4.942 1.00 1.00 H new ATOM 0 HB2 ASN A 72 7.103 10.613 3.083 1.00 1.00 H new ATOM 0 HB3 ASN A 72 7.310 11.309 4.678 1.00 1.00 H new ATOM 0 HD21 ASN A 72 10.300 11.464 2.061 1.00 1.00 H new ATOM 0 HD22 ASN A 72 8.640 11.004 1.669 1.00 1.00 H new ATOM 791 N TYR A 73 5.660 9.968 5.965 1.00 1.00 N ATOM 792 CA TYR A 73 4.821 10.234 7.153 1.00 1.00 C ATOM 793 C TYR A 73 3.512 11.015 6.869 1.00 1.00 C ATOM 794 O TYR A 73 2.894 11.491 7.819 1.00 1.00 O ATOM 795 CB TYR A 73 5.674 11.035 8.168 1.00 1.00 C ATOM 796 CG TYR A 73 6.240 12.350 7.652 1.00 1.00 C ATOM 797 CD1 TYR A 73 5.422 13.506 7.639 1.00 1.00 C ATOM 798 CD2 TYR A 73 7.541 12.396 7.096 1.00 1.00 C ATOM 799 CE1 TYR A 73 5.888 14.698 7.041 1.00 1.00 C ATOM 800 CE2 TYR A 73 8.009 13.582 6.489 1.00 1.00 C ATOM 801 CZ TYR A 73 7.183 14.734 6.458 1.00 1.00 C ATOM 802 OH TYR A 73 7.625 15.870 5.856 1.00 1.00 O ATOM 0 H TYR A 73 5.353 10.502 5.152 1.00 1.00 H new ATOM 0 HA TYR A 73 4.505 9.263 7.535 1.00 1.00 H new ATOM 0 HB2 TYR A 73 5.063 11.242 9.047 1.00 1.00 H new ATOM 0 HB3 TYR A 73 6.502 10.407 8.496 1.00 1.00 H new ATOM 0 HD1 TYR A 73 4.440 13.476 8.087 1.00 1.00 H new ATOM 0 HD2 TYR A 73 8.176 11.523 7.136 1.00 1.00 H new ATOM 0 HE1 TYR A 73 5.262 15.578 7.027 1.00 1.00 H new ATOM 0 HE2 TYR A 73 8.995 13.612 6.049 1.00 1.00 H new ATOM 0 HH TYR A 73 8.531 15.726 5.510 1.00 1.00 H new ATOM 812 N SER A 74 3.109 11.206 5.598 1.00 1.00 N ATOM 813 CA SER A 74 1.980 12.056 5.165 1.00 1.00 C ATOM 814 C SER A 74 0.621 11.641 5.757 1.00 1.00 C ATOM 815 O SER A 74 0.118 12.362 6.614 1.00 1.00 O ATOM 816 CB SER A 74 1.925 12.162 3.632 1.00 1.00 C ATOM 817 OG SER A 74 2.977 12.964 3.145 1.00 1.00 O ATOM 0 H SER A 74 3.579 10.755 4.813 1.00 1.00 H new ATOM 0 HA SER A 74 2.178 13.047 5.573 1.00 1.00 H new ATOM 0 HB2 SER A 74 1.988 11.167 3.192 1.00 1.00 H new ATOM 0 HB3 SER A 74 0.968 12.586 3.327 1.00 1.00 H new ATOM 0 HG SER A 74 2.923 13.016 2.168 1.00 1.00 H new ATOM 823 N ALA A 75 0.020 10.524 5.311 1.00 1.00 N ATOM 824 CA ALA A 75 -1.314 10.052 5.714 1.00 1.00 C ATOM 825 C ALA A 75 -2.428 11.143 5.707 1.00 1.00 C ATOM 826 O ALA A 75 -2.358 12.124 4.960 1.00 1.00 O ATOM 827 CB ALA A 75 -1.149 9.242 7.020 1.00 1.00 C ATOM 0 H ALA A 75 0.467 9.904 4.636 1.00 1.00 H new ATOM 0 HA ALA A 75 -1.716 9.384 4.952 1.00 1.00 H new ATOM 0 HB1 ALA A 75 -2.122 8.877 7.347 1.00 1.00 H new ATOM 0 HB2 ALA A 75 -0.485 8.396 6.842 1.00 1.00 H new ATOM 0 HB3 ALA A 75 -0.723 9.881 7.793 1.00 1.00 H new ATOM 833 N GLU A 76 -3.490 10.913 6.494 1.00 1.00 N ATOM 834 CA GLU A 76 -4.755 11.662 6.601 1.00 1.00 C ATOM 835 C GLU A 76 -5.641 11.641 5.337 1.00 1.00 C ATOM 836 O GLU A 76 -5.135 11.603 4.209 1.00 1.00 O ATOM 837 CB GLU A 76 -4.497 13.101 7.092 1.00 1.00 C ATOM 838 CG GLU A 76 -5.754 13.824 7.590 1.00 1.00 C ATOM 839 CD GLU A 76 -6.424 13.044 8.719 1.00 1.00 C ATOM 840 OE1 GLU A 76 -7.210 12.115 8.406 1.00 1.00 O ATOM 841 OE2 GLU A 76 -6.033 13.335 9.866 1.00 1.00 O ATOM 0 H GLU A 76 -3.486 10.120 7.135 1.00 1.00 H new ATOM 0 HA GLU A 76 -5.343 11.127 7.347 1.00 1.00 H new ATOM 0 HB2 GLU A 76 -3.763 13.073 7.897 1.00 1.00 H new ATOM 0 HB3 GLU A 76 -4.056 13.678 6.279 1.00 1.00 H new ATOM 0 HG2 GLU A 76 -5.489 14.822 7.940 1.00 1.00 H new ATOM 0 HG3 GLU A 76 -6.455 13.951 6.765 1.00 1.00 H new ATOM 848 N LEU A 77 -6.974 11.697 5.527 1.00 1.00 N ATOM 849 CA LEU A 77 -7.951 11.538 4.464 1.00 1.00 C ATOM 850 C LEU A 77 -9.100 12.572 4.449 1.00 1.00 C ATOM 851 O LEU A 77 -9.358 13.273 5.424 1.00 1.00 O ATOM 852 CB LEU A 77 -8.386 10.069 4.563 1.00 1.00 C ATOM 853 CG LEU A 77 -9.604 9.587 5.369 1.00 1.00 C ATOM 854 CD1 LEU A 77 -9.501 8.073 5.592 1.00 1.00 C ATOM 855 CD2 LEU A 77 -9.845 10.249 6.724 1.00 1.00 C ATOM 0 H LEU A 77 -7.395 11.857 6.442 1.00 1.00 H new ATOM 0 HA LEU A 77 -7.513 11.759 3.491 1.00 1.00 H new ATOM 0 HB2 LEU A 77 -8.543 9.728 3.540 1.00 1.00 H new ATOM 0 HB3 LEU A 77 -7.527 9.522 4.952 1.00 1.00 H new ATOM 0 HG LEU A 77 -10.454 9.878 4.752 1.00 1.00 H new ATOM 0 HD11 LEU A 77 -10.364 7.730 6.163 1.00 1.00 H new ATOM 0 HD12 LEU A 77 -9.478 7.564 4.628 1.00 1.00 H new ATOM 0 HD13 LEU A 77 -8.588 7.848 6.143 1.00 1.00 H new ATOM 0 HD21 LEU A 77 -10.733 9.818 7.187 1.00 1.00 H new ATOM 0 HD22 LEU A 77 -8.983 10.082 7.369 1.00 1.00 H new ATOM 0 HD23 LEU A 77 -9.992 11.320 6.585 1.00 1.00 H new ATOM 867 N ARG A 78 -9.830 12.630 3.322 1.00 1.00 N ATOM 868 CA ARG A 78 -11.067 13.421 3.154 1.00 1.00 C ATOM 869 C ARG A 78 -12.218 12.495 2.746 1.00 1.00 C ATOM 870 O ARG A 78 -12.533 12.351 1.568 1.00 1.00 O ATOM 871 CB ARG A 78 -10.792 14.572 2.171 1.00 1.00 C ATOM 872 CG ARG A 78 -10.177 15.817 2.828 1.00 1.00 C ATOM 873 CD ARG A 78 -11.185 16.924 3.107 1.00 1.00 C ATOM 874 NE ARG A 78 -11.795 16.770 4.435 1.00 1.00 N ATOM 875 CZ ARG A 78 -12.963 17.246 4.837 1.00 1.00 C ATOM 876 NH1 ARG A 78 -13.816 17.863 4.057 1.00 1.00 N ATOM 877 NH2 ARG A 78 -13.318 17.123 6.082 1.00 1.00 N ATOM 0 H ARG A 78 -9.572 12.116 2.480 1.00 1.00 H new ATOM 0 HA ARG A 78 -11.380 13.884 4.090 1.00 1.00 H new ATOM 0 HB2 ARG A 78 -10.121 14.217 1.389 1.00 1.00 H new ATOM 0 HB3 ARG A 78 -11.726 14.853 1.685 1.00 1.00 H new ATOM 0 HG2 ARG A 78 -9.703 15.525 3.765 1.00 1.00 H new ATOM 0 HG3 ARG A 78 -9.392 16.208 2.181 1.00 1.00 H new ATOM 0 HD2 ARG A 78 -10.691 17.893 3.042 1.00 1.00 H new ATOM 0 HD3 ARG A 78 -11.963 16.911 2.344 1.00 1.00 H new ATOM 0 HE ARG A 78 -11.260 16.238 5.122 1.00 1.00 H new ATOM 0 HH11 ARG A 78 -13.597 18.002 3.071 1.00 1.00 H new ATOM 0 HH12 ARG A 78 -14.699 18.204 4.436 1.00 1.00 H new ATOM 0 HH21 ARG A 78 -12.697 16.661 6.746 1.00 1.00 H new ATOM 0 HH22 ARG A 78 -14.217 17.489 6.394 1.00 1.00 H new ATOM 891 N ASN A 79 -12.861 11.853 3.729 1.00 1.00 N ATOM 892 CA ASN A 79 -13.925 10.874 3.504 1.00 1.00 C ATOM 893 C ASN A 79 -13.410 9.545 2.905 1.00 1.00 C ATOM 894 O ASN A 79 -14.223 8.689 2.585 1.00 1.00 O ATOM 895 CB ASN A 79 -15.116 11.548 2.764 1.00 1.00 C ATOM 896 CG ASN A 79 -16.173 12.156 3.687 1.00 1.00 C ATOM 897 OD1 ASN A 79 -15.902 12.625 4.786 1.00 1.00 O ATOM 898 ND2 ASN A 79 -17.417 12.188 3.262 1.00 1.00 N ATOM 0 H ASN A 79 -12.652 12.003 4.716 1.00 1.00 H new ATOM 0 HA ASN A 79 -14.324 10.546 4.464 1.00 1.00 H new ATOM 0 HB2 ASN A 79 -14.727 12.331 2.113 1.00 1.00 H new ATOM 0 HB3 ASN A 79 -15.594 10.808 2.122 1.00 1.00 H new ATOM 0 HD21 ASN A 79 -18.145 12.600 3.846 1.00 1.00 H new ATOM 0 HD22 ASN A 79 -17.654 11.801 2.349 1.00 1.00 H new ATOM 905 N ALA A 80 -12.076 9.293 2.841 1.00 1.00 N ATOM 906 CA ALA A 80 -11.547 7.954 2.492 1.00 1.00 C ATOM 907 C ALA A 80 -11.879 6.870 3.543 1.00 1.00 C ATOM 908 O ALA A 80 -11.430 5.738 3.392 1.00 1.00 O ATOM 909 CB ALA A 80 -10.050 8.013 2.214 1.00 1.00 C ATOM 0 H ALA A 80 -11.357 9.993 3.025 1.00 1.00 H new ATOM 0 HA ALA A 80 -12.059 7.653 1.578 1.00 1.00 H new ATOM 0 HB1 ALA A 80 -9.687 7.017 1.960 1.00 1.00 H new ATOM 0 HB2 ALA A 80 -9.861 8.691 1.382 1.00 1.00 H new ATOM 0 HB3 ALA A 80 -9.529 8.374 3.101 1.00 1.00 H new ATOM 915 N THR A 81 -12.634 7.246 4.591 1.00 1.00 N ATOM 916 CA THR A 81 -13.215 6.301 5.579 1.00 1.00 C ATOM 917 C THR A 81 -14.696 6.046 5.245 1.00 1.00 C ATOM 918 O THR A 81 -15.541 6.932 5.368 1.00 1.00 O ATOM 919 CB THR A 81 -12.979 6.669 7.060 1.00 1.00 C ATOM 920 OG1 THR A 81 -13.227 5.518 7.833 1.00 1.00 O ATOM 921 CG2 THR A 81 -13.812 7.788 7.691 1.00 1.00 C ATOM 0 H THR A 81 -12.864 8.221 4.783 1.00 1.00 H new ATOM 0 HA THR A 81 -12.664 5.366 5.477 1.00 1.00 H new ATOM 0 HB THR A 81 -11.957 7.049 7.058 1.00 1.00 H new ATOM 0 HG1 THR A 81 -13.083 5.723 8.780 1.00 1.00 H new ATOM 0 HG21 THR A 81 -13.519 7.916 8.733 1.00 1.00 H new ATOM 0 HG22 THR A 81 -13.642 8.718 7.149 1.00 1.00 H new ATOM 0 HG23 THR A 81 -14.869 7.527 7.641 1.00 1.00 H new ATOM 929 N ALA A 82 -15.004 4.808 4.834 1.00 1.00 N ATOM 930 CA ALA A 82 -16.311 4.349 4.369 1.00 1.00 C ATOM 931 C ALA A 82 -16.573 2.925 4.884 1.00 1.00 C ATOM 932 O ALA A 82 -15.800 2.011 4.616 1.00 1.00 O ATOM 933 CB ALA A 82 -16.362 4.450 2.834 1.00 1.00 C ATOM 0 H ALA A 82 -14.307 4.063 4.818 1.00 1.00 H new ATOM 0 HA ALA A 82 -17.107 4.979 4.765 1.00 1.00 H new ATOM 0 HB1 ALA A 82 -17.335 4.109 2.479 1.00 1.00 H new ATOM 0 HB2 ALA A 82 -16.208 5.486 2.532 1.00 1.00 H new ATOM 0 HB3 ALA A 82 -15.579 3.826 2.402 1.00 1.00 H new ATOM 939 N ALA A 83 -17.671 2.745 5.619 1.00 1.00 N ATOM 940 CA ALA A 83 -18.096 1.447 6.166 1.00 1.00 C ATOM 941 C ALA A 83 -19.078 0.699 5.227 1.00 1.00 C ATOM 942 O ALA A 83 -19.829 1.320 4.467 1.00 1.00 O ATOM 943 CB ALA A 83 -18.661 1.657 7.583 1.00 1.00 C ATOM 0 H ALA A 83 -18.304 3.508 5.858 1.00 1.00 H new ATOM 0 HA ALA A 83 -17.228 0.792 6.236 1.00 1.00 H new ATOM 0 HB1 ALA A 83 -18.978 0.699 7.994 1.00 1.00 H new ATOM 0 HB2 ALA A 83 -17.890 2.089 8.222 1.00 1.00 H new ATOM 0 HB3 ALA A 83 -19.515 2.333 7.538 1.00 1.00 H new ATOM 949 N MET A 84 -19.111 -0.641 5.309 1.00 1.00 N ATOM 950 CA MET A 84 -19.926 -1.544 4.487 1.00 1.00 C ATOM 951 C MET A 84 -20.756 -2.468 5.385 1.00 1.00 C ATOM 952 O MET A 84 -20.488 -2.592 6.588 1.00 1.00 O ATOM 953 CB MET A 84 -19.032 -2.381 3.550 1.00 1.00 C ATOM 954 CG MET A 84 -18.206 -1.600 2.527 1.00 1.00 C ATOM 955 SD MET A 84 -16.611 -0.966 3.113 1.00 1.00 S ATOM 956 CE MET A 84 -15.823 -2.518 3.627 1.00 1.00 C ATOM 0 H MET A 84 -18.540 -1.147 5.986 1.00 1.00 H new ATOM 0 HA MET A 84 -20.599 -0.942 3.877 1.00 1.00 H new ATOM 0 HB2 MET A 84 -18.350 -2.969 4.163 1.00 1.00 H new ATOM 0 HB3 MET A 84 -19.666 -3.086 3.012 1.00 1.00 H new ATOM 0 HG2 MET A 84 -18.025 -2.245 1.667 1.00 1.00 H new ATOM 0 HG3 MET A 84 -18.802 -0.758 2.174 1.00 1.00 H new ATOM 0 HE1 MET A 84 -14.775 -2.333 3.865 1.00 1.00 H new ATOM 0 HE2 MET A 84 -16.331 -2.910 4.508 1.00 1.00 H new ATOM 0 HE3 MET A 84 -15.888 -3.245 2.817 1.00 1.00 H new ATOM 966 N LYS A 85 -21.730 -3.159 4.764 1.00 1.00 N ATOM 967 CA LYS A 85 -22.698 -4.063 5.420 1.00 1.00 C ATOM 968 C LYS A 85 -22.688 -5.436 4.744 1.00 1.00 C ATOM 969 O LYS A 85 -21.944 -6.300 5.177 1.00 1.00 O ATOM 970 CB LYS A 85 -24.082 -3.408 5.602 1.00 1.00 C ATOM 971 CG LYS A 85 -24.818 -2.975 4.323 1.00 1.00 C ATOM 972 CD LYS A 85 -25.542 -1.629 4.437 1.00 1.00 C ATOM 973 CE LYS A 85 -24.590 -0.428 4.413 1.00 1.00 C ATOM 974 NZ LYS A 85 -24.237 -0.021 3.034 1.00 1.00 N ATOM 0 H LYS A 85 -21.871 -3.102 3.755 1.00 1.00 H new ATOM 0 HA LYS A 85 -22.382 -4.249 6.446 1.00 1.00 H new ATOM 0 HB2 LYS A 85 -24.721 -4.108 6.141 1.00 1.00 H new ATOM 0 HB3 LYS A 85 -23.962 -2.531 6.238 1.00 1.00 H new ATOM 0 HG2 LYS A 85 -24.099 -2.920 3.505 1.00 1.00 H new ATOM 0 HG3 LYS A 85 -25.544 -3.744 4.058 1.00 1.00 H new ATOM 0 HD2 LYS A 85 -26.254 -1.536 3.617 1.00 1.00 H new ATOM 0 HD3 LYS A 85 -26.117 -1.610 5.363 1.00 1.00 H new ATOM 0 HE2 LYS A 85 -25.054 0.412 4.930 1.00 1.00 H new ATOM 0 HE3 LYS A 85 -23.681 -0.676 4.961 1.00 1.00 H new ATOM 0 HZ1 LYS A 85 -23.592 0.794 3.067 1.00 1.00 H new ATOM 0 HZ2 LYS A 85 -23.770 -0.813 2.547 1.00 1.00 H new ATOM 0 HZ3 LYS A 85 -25.101 0.242 2.518 1.00 1.00 H new ATOM 987 N ASN A 86 -23.366 -5.597 3.603 1.00 1.00 N ATOM 988 CA ASN A 86 -23.359 -6.808 2.780 1.00 1.00 C ATOM 989 C ASN A 86 -22.102 -6.890 1.874 1.00 1.00 C ATOM 990 O ASN A 86 -22.182 -7.123 0.670 1.00 1.00 O ATOM 991 CB ASN A 86 -24.722 -6.921 2.060 1.00 1.00 C ATOM 992 CG ASN A 86 -25.190 -8.373 1.895 1.00 1.00 C ATOM 993 OD1 ASN A 86 -24.588 -9.323 2.358 1.00 1.00 O ATOM 994 ND2 ASN A 86 -26.323 -8.620 1.288 1.00 1.00 N ATOM 0 H ASN A 86 -23.955 -4.861 3.214 1.00 1.00 H new ATOM 0 HA ASN A 86 -23.262 -7.699 3.400 1.00 1.00 H new ATOM 0 HB2 ASN A 86 -25.472 -6.364 2.622 1.00 1.00 H new ATOM 0 HB3 ASN A 86 -24.648 -6.454 1.078 1.00 1.00 H new ATOM 0 HD21 ASN A 86 -26.666 -9.578 1.219 1.00 1.00 H new ATOM 0 HD22 ASN A 86 -26.863 -7.854 0.884 1.00 1.00 H new ATOM 1001 N GLN A 87 -20.938 -6.605 2.486 1.00 1.00 N ATOM 1002 CA GLN A 87 -19.571 -6.691 1.945 1.00 1.00 C ATOM 1003 C GLN A 87 -19.297 -5.774 0.718 1.00 1.00 C ATOM 1004 O GLN A 87 -18.351 -6.043 -0.024 1.00 1.00 O ATOM 1005 CB GLN A 87 -19.262 -8.191 1.688 1.00 1.00 C ATOM 1006 CG GLN A 87 -18.999 -9.071 2.927 1.00 1.00 C ATOM 1007 CD GLN A 87 -20.229 -9.285 3.804 1.00 1.00 C ATOM 1008 OE1 GLN A 87 -21.257 -9.758 3.358 1.00 1.00 O ATOM 1009 NE2 GLN A 87 -20.213 -8.918 5.068 1.00 1.00 N ATOM 0 H GLN A 87 -20.930 -6.281 3.453 1.00 1.00 H new ATOM 0 HA GLN A 87 -18.875 -6.291 2.683 1.00 1.00 H new ATOM 0 HB2 GLN A 87 -20.099 -8.621 1.138 1.00 1.00 H new ATOM 0 HB3 GLN A 87 -18.389 -8.251 1.038 1.00 1.00 H new ATOM 0 HG2 GLN A 87 -18.625 -10.041 2.599 1.00 1.00 H new ATOM 0 HG3 GLN A 87 -18.213 -8.612 3.526 1.00 1.00 H new ATOM 0 HE21 GLN A 87 -19.366 -8.518 5.472 1.00 1.00 H new ATOM 0 HE22 GLN A 87 -21.047 -9.034 5.643 1.00 1.00 H new ATOM 1018 N VAL A 88 -20.073 -4.687 0.499 1.00 1.00 N ATOM 1019 CA VAL A 88 -20.015 -3.851 -0.737 1.00 1.00 C ATOM 1020 C VAL A 88 -19.914 -2.323 -0.498 1.00 1.00 C ATOM 1021 O VAL A 88 -20.717 -1.747 0.238 1.00 1.00 O ATOM 1022 CB VAL A 88 -21.209 -4.201 -1.677 1.00 1.00 C ATOM 1023 CG1 VAL A 88 -21.370 -3.254 -2.886 1.00 1.00 C ATOM 1024 CG2 VAL A 88 -21.101 -5.634 -2.246 1.00 1.00 C ATOM 0 H VAL A 88 -20.763 -4.358 1.175 1.00 1.00 H new ATOM 0 HA VAL A 88 -19.072 -4.108 -1.220 1.00 1.00 H new ATOM 0 HB VAL A 88 -22.077 -4.095 -1.026 1.00 1.00 H new ATOM 0 HG11 VAL A 88 -22.224 -3.571 -3.485 1.00 1.00 H new ATOM 0 HG12 VAL A 88 -21.533 -2.236 -2.532 1.00 1.00 H new ATOM 0 HG13 VAL A 88 -20.467 -3.285 -3.496 1.00 1.00 H new ATOM 0 HG21 VAL A 88 -21.954 -5.833 -2.895 1.00 1.00 H new ATOM 0 HG22 VAL A 88 -20.179 -5.729 -2.819 1.00 1.00 H new ATOM 0 HG23 VAL A 88 -21.094 -6.352 -1.426 1.00 1.00 H new ATOM 1034 N ALA A 89 -18.984 -1.684 -1.229 1.00 1.00 N ATOM 1035 CA ALA A 89 -18.720 -0.242 -1.390 1.00 1.00 C ATOM 1036 C ALA A 89 -18.694 0.166 -2.891 1.00 1.00 C ATOM 1037 O ALA A 89 -17.995 -0.444 -3.707 1.00 1.00 O ATOM 1038 CB ALA A 89 -17.387 0.120 -0.713 1.00 1.00 C ATOM 0 H ALA A 89 -18.324 -2.227 -1.785 1.00 1.00 H new ATOM 0 HA ALA A 89 -19.530 0.310 -0.912 1.00 1.00 H new ATOM 0 HB1 ALA A 89 -17.195 1.186 -0.834 1.00 1.00 H new ATOM 0 HB2 ALA A 89 -17.441 -0.121 0.349 1.00 1.00 H new ATOM 0 HB3 ALA A 89 -16.579 -0.449 -1.173 1.00 1.00 H new ATOM 1044 N ARG A 90 -19.452 1.224 -3.221 1.00 1.00 N ATOM 1045 CA ARG A 90 -19.638 1.953 -4.501 1.00 1.00 C ATOM 1046 C ARG A 90 -19.623 3.479 -4.257 1.00 1.00 C ATOM 1047 O ARG A 90 -19.946 3.874 -3.138 1.00 1.00 O ATOM 1048 CB ARG A 90 -21.005 1.552 -5.112 1.00 1.00 C ATOM 1049 CG ARG A 90 -22.254 1.944 -4.286 1.00 1.00 C ATOM 1050 CD ARG A 90 -22.867 3.303 -4.641 1.00 1.00 C ATOM 1051 NE ARG A 90 -23.895 3.194 -5.689 1.00 1.00 N ATOM 1052 CZ ARG A 90 -24.880 4.036 -5.948 1.00 1.00 C ATOM 1053 NH1 ARG A 90 -25.079 5.153 -5.309 1.00 1.00 N ATOM 1054 NH2 ARG A 90 -25.732 3.758 -6.888 1.00 1.00 N ATOM 0 H ARG A 90 -20.032 1.652 -2.499 1.00 1.00 H new ATOM 0 HA ARG A 90 -18.826 1.695 -5.181 1.00 1.00 H new ATOM 0 HB2 ARG A 90 -21.088 2.007 -6.099 1.00 1.00 H new ATOM 0 HB3 ARG A 90 -21.014 0.472 -5.258 1.00 1.00 H new ATOM 0 HG2 ARG A 90 -23.014 1.174 -4.418 1.00 1.00 H new ATOM 0 HG3 ARG A 90 -21.985 1.949 -3.230 1.00 1.00 H new ATOM 0 HD2 ARG A 90 -23.307 3.745 -3.747 1.00 1.00 H new ATOM 0 HD3 ARG A 90 -22.080 3.978 -4.976 1.00 1.00 H new ATOM 0 HE ARG A 90 -23.840 2.370 -6.287 1.00 1.00 H new ATOM 0 HH11 ARG A 90 -24.452 5.427 -4.553 1.00 1.00 H new ATOM 0 HH12 ARG A 90 -25.862 5.754 -5.565 1.00 1.00 H new ATOM 0 HH21 ARG A 90 -25.639 2.894 -7.422 1.00 1.00 H new ATOM 0 HH22 ARG A 90 -26.494 4.404 -7.093 1.00 1.00 H new ATOM 1068 N PHE A 91 -19.368 4.292 -5.308 1.00 1.00 N ATOM 1069 CA PHE A 91 -19.461 5.785 -5.403 1.00 1.00 C ATOM 1070 C PHE A 91 -18.095 6.517 -5.470 1.00 1.00 C ATOM 1071 O PHE A 91 -17.027 5.902 -5.490 1.00 1.00 O ATOM 1072 CB PHE A 91 -20.292 6.348 -4.219 1.00 1.00 C ATOM 1073 CG PHE A 91 -21.134 7.602 -4.348 1.00 1.00 C ATOM 1074 CD1 PHE A 91 -22.310 7.588 -5.129 1.00 1.00 C ATOM 1075 CD2 PHE A 91 -20.831 8.729 -3.551 1.00 1.00 C ATOM 1076 CE1 PHE A 91 -23.193 8.692 -5.095 1.00 1.00 C ATOM 1077 CE2 PHE A 91 -21.710 9.832 -3.520 1.00 1.00 C ATOM 1078 CZ PHE A 91 -22.898 9.811 -4.285 1.00 1.00 C ATOM 0 H PHE A 91 -19.064 3.893 -6.196 1.00 1.00 H new ATOM 0 HA PHE A 91 -19.956 5.981 -6.354 1.00 1.00 H new ATOM 0 HB2 PHE A 91 -20.964 5.551 -3.900 1.00 1.00 H new ATOM 0 HB3 PHE A 91 -19.593 6.522 -3.401 1.00 1.00 H new ATOM 0 HD1 PHE A 91 -22.535 6.735 -5.752 1.00 1.00 H new ATOM 0 HD2 PHE A 91 -19.924 8.746 -2.964 1.00 1.00 H new ATOM 0 HE1 PHE A 91 -24.095 8.680 -5.689 1.00 1.00 H new ATOM 0 HE2 PHE A 91 -21.475 10.693 -2.911 1.00 1.00 H new ATOM 0 HZ PHE A 91 -23.579 10.649 -4.250 1.00 1.00 H new ATOM 1088 N ASN A 92 -18.154 7.851 -5.577 1.00 1.00 N ATOM 1089 CA ASN A 92 -17.057 8.815 -5.419 1.00 1.00 C ATOM 1090 C ASN A 92 -16.862 9.090 -3.889 1.00 1.00 C ATOM 1091 O ASN A 92 -17.229 8.261 -3.054 1.00 1.00 O ATOM 1092 CB ASN A 92 -17.374 10.077 -6.264 1.00 1.00 C ATOM 1093 CG ASN A 92 -18.777 10.650 -6.092 1.00 1.00 C ATOM 1094 OD1 ASN A 92 -19.784 10.016 -6.358 1.00 1.00 O ATOM 1095 ND2 ASN A 92 -18.880 11.882 -5.657 1.00 1.00 N ATOM 0 H ASN A 92 -19.034 8.319 -5.792 1.00 1.00 H new ATOM 0 HA ASN A 92 -16.107 8.433 -5.792 1.00 1.00 H new ATOM 0 HB2 ASN A 92 -16.651 10.852 -6.011 1.00 1.00 H new ATOM 0 HB3 ASN A 92 -17.227 9.834 -7.316 1.00 1.00 H new ATOM 0 HD21 ASN A 92 -19.800 12.307 -5.542 1.00 1.00 H new ATOM 0 HD22 ASN A 92 -18.040 12.416 -5.433 1.00 1.00 H new ATOM 1102 N ASP A 93 -16.275 10.232 -3.486 1.00 1.00 N ATOM 1103 CA ASP A 93 -16.192 10.684 -2.075 1.00 1.00 C ATOM 1104 C ASP A 93 -15.312 9.848 -1.096 1.00 1.00 C ATOM 1105 O ASP A 93 -15.728 9.554 0.019 1.00 1.00 O ATOM 1106 CB ASP A 93 -17.622 10.986 -1.542 1.00 1.00 C ATOM 1107 CG ASP A 93 -17.667 11.966 -0.354 1.00 1.00 C ATOM 1108 OD1 ASP A 93 -17.161 13.104 -0.535 1.00 1.00 O ATOM 1109 OD2 ASP A 93 -18.175 11.607 0.729 1.00 1.00 O ATOM 0 H ASP A 93 -15.836 10.881 -4.139 1.00 1.00 H new ATOM 0 HA ASP A 93 -15.608 11.604 -2.103 1.00 1.00 H new ATOM 0 HB2 ASP A 93 -18.221 11.394 -2.356 1.00 1.00 H new ATOM 0 HB3 ASP A 93 -18.090 10.048 -1.241 1.00 1.00 H new ATOM 1114 N LEU A 94 -14.077 9.503 -1.492 1.00 1.00 N ATOM 1115 CA LEU A 94 -13.019 8.858 -0.679 1.00 1.00 C ATOM 1116 C LEU A 94 -11.648 9.503 -1.011 1.00 1.00 C ATOM 1117 O LEU A 94 -11.339 9.546 -2.203 1.00 1.00 O ATOM 1118 CB LEU A 94 -13.010 7.333 -0.962 1.00 1.00 C ATOM 1119 CG LEU A 94 -14.024 6.463 -0.179 1.00 1.00 C ATOM 1120 CD1 LEU A 94 -15.282 6.188 -1.008 1.00 1.00 C ATOM 1121 CD2 LEU A 94 -13.405 5.119 0.237 1.00 1.00 C ATOM 0 H LEU A 94 -13.765 9.675 -2.448 1.00 1.00 H new ATOM 0 HA LEU A 94 -13.216 9.006 0.383 1.00 1.00 H new ATOM 0 HB2 LEU A 94 -13.190 7.186 -2.027 1.00 1.00 H new ATOM 0 HB3 LEU A 94 -12.009 6.956 -0.753 1.00 1.00 H new ATOM 0 HG LEU A 94 -14.295 7.028 0.713 1.00 1.00 H new ATOM 0 HD11 LEU A 94 -15.973 5.575 -0.429 1.00 1.00 H new ATOM 0 HD12 LEU A 94 -15.762 7.132 -1.264 1.00 1.00 H new ATOM 0 HD13 LEU A 94 -15.008 5.661 -1.922 1.00 1.00 H new ATOM 0 HD21 LEU A 94 -14.143 4.533 0.785 1.00 1.00 H new ATOM 0 HD22 LEU A 94 -13.093 4.571 -0.652 1.00 1.00 H new ATOM 0 HD23 LEU A 94 -12.539 5.299 0.874 1.00 1.00 H new ATOM 1133 N ARG A 95 -10.845 10.066 -0.056 1.00 1.00 N ATOM 1134 CA ARG A 95 -9.523 10.675 -0.476 1.00 1.00 C ATOM 1135 C ARG A 95 -8.382 10.514 0.524 1.00 1.00 C ATOM 1136 O ARG A 95 -8.634 10.644 1.713 1.00 1.00 O ATOM 1137 CB ARG A 95 -9.611 12.176 -0.838 1.00 1.00 C ATOM 1138 CG ARG A 95 -10.617 12.645 -1.897 1.00 1.00 C ATOM 1139 CD ARG A 95 -11.887 12.893 -1.103 1.00 1.00 C ATOM 1140 NE ARG A 95 -13.015 13.476 -1.838 1.00 1.00 N ATOM 1141 CZ ARG A 95 -14.221 13.618 -1.317 1.00 1.00 C ATOM 1142 NH1 ARG A 95 -14.545 13.221 -0.119 1.00 1.00 N ATOM 1143 NH2 ARG A 95 -15.199 14.143 -1.992 1.00 1.00 N ATOM 0 H ARG A 95 -11.058 10.116 0.940 1.00 1.00 H new ATOM 0 HA ARG A 95 -9.292 10.086 -1.364 1.00 1.00 H new ATOM 0 HB2 ARG A 95 -9.828 12.720 0.081 1.00 1.00 H new ATOM 0 HB3 ARG A 95 -8.621 12.490 -1.168 1.00 1.00 H new ATOM 0 HG2 ARG A 95 -10.276 13.550 -2.400 1.00 1.00 H new ATOM 0 HG3 ARG A 95 -10.768 11.890 -2.668 1.00 1.00 H new ATOM 0 HD2 ARG A 95 -12.212 11.945 -0.675 1.00 1.00 H new ATOM 0 HD3 ARG A 95 -11.645 13.553 -0.270 1.00 1.00 H new ATOM 0 HE ARG A 95 -12.861 13.787 -2.797 1.00 1.00 H new ATOM 0 HH11 ARG A 95 -13.848 12.771 0.475 1.00 1.00 H new ATOM 0 HH12 ARG A 95 -15.495 13.360 0.225 1.00 1.00 H new ATOM 0 HH21 ARG A 95 -15.046 14.458 -2.950 1.00 1.00 H new ATOM 0 HH22 ARG A 95 -16.120 14.240 -1.564 1.00 1.00 H new ATOM 1157 N PHE A 96 -7.138 10.435 0.043 1.00 1.00 N ATOM 1158 CA PHE A 96 -5.896 10.236 0.820 1.00 1.00 C ATOM 1159 C PHE A 96 -4.863 11.372 0.731 1.00 1.00 C ATOM 1160 O PHE A 96 -4.966 12.286 -0.098 1.00 1.00 O ATOM 1161 CB PHE A 96 -5.224 8.887 0.487 1.00 1.00 C ATOM 1162 CG PHE A 96 -4.608 8.555 -0.870 1.00 1.00 C ATOM 1163 CD1 PHE A 96 -4.470 9.511 -1.908 1.00 1.00 C ATOM 1164 CD2 PHE A 96 -4.087 7.253 -1.065 1.00 1.00 C ATOM 1165 CE1 PHE A 96 -3.807 9.173 -3.106 1.00 1.00 C ATOM 1166 CE2 PHE A 96 -3.442 6.908 -2.273 1.00 1.00 C ATOM 1167 CZ PHE A 96 -3.298 7.870 -3.294 1.00 1.00 C ATOM 0 H PHE A 96 -6.952 10.512 -0.957 1.00 1.00 H new ATOM 0 HA PHE A 96 -6.241 10.237 1.854 1.00 1.00 H new ATOM 0 HB2 PHE A 96 -4.432 8.751 1.223 1.00 1.00 H new ATOM 0 HB3 PHE A 96 -5.972 8.118 0.679 1.00 1.00 H new ATOM 0 HD1 PHE A 96 -4.875 10.504 -1.780 1.00 1.00 H new ATOM 0 HD2 PHE A 96 -4.184 6.516 -0.282 1.00 1.00 H new ATOM 0 HE1 PHE A 96 -3.688 9.914 -3.883 1.00 1.00 H new ATOM 0 HE2 PHE A 96 -3.059 5.908 -2.415 1.00 1.00 H new ATOM 0 HZ PHE A 96 -2.800 7.611 -4.217 1.00 1.00 H new ATOM 1177 N VAL A 97 -3.856 11.285 1.610 1.00 1.00 N ATOM 1178 CA VAL A 97 -2.642 12.118 1.654 1.00 1.00 C ATOM 1179 C VAL A 97 -3.027 13.598 1.853 1.00 1.00 C ATOM 1180 O VAL A 97 -2.931 14.425 0.948 1.00 1.00 O ATOM 1181 CB VAL A 97 -1.715 11.815 0.439 1.00 1.00 C ATOM 1182 CG1 VAL A 97 -0.366 12.566 0.505 1.00 1.00 C ATOM 1183 CG2 VAL A 97 -1.376 10.316 0.289 1.00 1.00 C ATOM 0 H VAL A 97 -3.866 10.589 2.356 1.00 1.00 H new ATOM 0 HA VAL A 97 -2.032 11.864 2.521 1.00 1.00 H new ATOM 0 HB VAL A 97 -2.300 12.157 -0.415 1.00 1.00 H new ATOM 0 HG11 VAL A 97 0.234 12.313 -0.369 1.00 1.00 H new ATOM 0 HG12 VAL A 97 -0.548 13.641 0.522 1.00 1.00 H new ATOM 0 HG13 VAL A 97 0.169 12.275 1.409 1.00 1.00 H new ATOM 0 HG21 VAL A 97 -0.728 10.174 -0.576 1.00 1.00 H new ATOM 0 HG22 VAL A 97 -0.865 9.967 1.186 1.00 1.00 H new ATOM 0 HG23 VAL A 97 -2.295 9.747 0.150 1.00 1.00 H new ATOM 1193 N GLY A 98 -3.502 13.898 3.068 1.00 1.00 N ATOM 1194 CA GLY A 98 -3.839 15.232 3.594 1.00 1.00 C ATOM 1195 C GLY A 98 -2.797 15.867 4.541 1.00 1.00 C ATOM 1196 O GLY A 98 -2.898 17.056 4.831 1.00 1.00 O ATOM 0 H GLY A 98 -3.674 13.167 3.759 1.00 1.00 H new ATOM 0 HA2 GLY A 98 -3.993 15.905 2.751 1.00 1.00 H new ATOM 0 HA3 GLY A 98 -4.789 15.163 4.124 1.00 1.00 H new ATOM 1200 N ARG A 99 -1.791 15.096 5.009 1.00 1.00 N ATOM 1201 CA ARG A 99 -0.598 15.479 5.814 1.00 1.00 C ATOM 1202 C ARG A 99 -0.796 15.836 7.307 1.00 1.00 C ATOM 1203 O ARG A 99 0.197 15.835 8.034 1.00 1.00 O ATOM 1204 CB ARG A 99 0.233 16.526 5.044 1.00 1.00 C ATOM 1205 CG ARG A 99 1.699 16.670 5.490 1.00 1.00 C ATOM 1206 CD ARG A 99 2.654 16.897 4.322 1.00 1.00 C ATOM 1207 NE ARG A 99 2.403 18.161 3.604 1.00 1.00 N ATOM 1208 CZ ARG A 99 3.318 19.045 3.253 1.00 1.00 C ATOM 1209 NH1 ARG A 99 4.571 18.939 3.604 1.00 1.00 N ATOM 1210 NH2 ARG A 99 2.992 20.073 2.525 1.00 1.00 N ATOM 0 H ARG A 99 -1.788 14.094 4.818 1.00 1.00 H new ATOM 0 HA ARG A 99 -0.041 14.548 5.921 1.00 1.00 H new ATOM 0 HB2 ARG A 99 0.218 16.268 3.985 1.00 1.00 H new ATOM 0 HB3 ARG A 99 -0.255 17.496 5.143 1.00 1.00 H new ATOM 0 HG2 ARG A 99 1.781 17.503 6.188 1.00 1.00 H new ATOM 0 HG3 ARG A 99 2.000 15.772 6.030 1.00 1.00 H new ATOM 0 HD2 ARG A 99 3.679 16.895 4.693 1.00 1.00 H new ATOM 0 HD3 ARG A 99 2.566 16.066 3.623 1.00 1.00 H new ATOM 0 HE ARG A 99 1.436 18.371 3.357 1.00 1.00 H new ATOM 0 HH11 ARG A 99 4.876 18.149 4.172 1.00 1.00 H new ATOM 0 HH12 ARG A 99 5.245 19.646 3.310 1.00 1.00 H new ATOM 0 HH21 ARG A 99 2.026 20.198 2.223 1.00 1.00 H new ATOM 0 HH22 ARG A 99 3.703 20.754 2.256 1.00 1.00 H new ATOM 1224 N SER A 100 -2.038 16.119 7.736 1.00 1.00 N ATOM 1225 CA SER A 100 -2.663 16.358 9.076 1.00 1.00 C ATOM 1226 C SER A 100 -1.877 16.995 10.268 1.00 1.00 C ATOM 1227 O SER A 100 -2.482 17.311 11.290 1.00 1.00 O ATOM 1228 CB SER A 100 -3.311 15.028 9.515 1.00 1.00 C ATOM 1229 OG SER A 100 -4.523 15.200 10.225 1.00 1.00 O ATOM 0 H SER A 100 -2.767 16.203 7.027 1.00 1.00 H new ATOM 0 HA SER A 100 -3.339 17.188 8.870 1.00 1.00 H new ATOM 0 HB2 SER A 100 -3.499 14.416 8.633 1.00 1.00 H new ATOM 0 HB3 SER A 100 -2.607 14.479 10.140 1.00 1.00 H new ATOM 0 HG SER A 100 -4.944 14.327 10.370 1.00 1.00 H new ATOM 1235 N GLY A 101 -0.567 17.251 10.157 1.00 1.00 N ATOM 1236 CA GLY A 101 0.381 17.672 11.203 1.00 1.00 C ATOM 1237 C GLY A 101 1.202 16.469 11.709 1.00 1.00 C ATOM 1238 O GLY A 101 1.294 16.254 12.917 1.00 1.00 O ATOM 0 H GLY A 101 -0.100 17.162 9.255 1.00 1.00 H new ATOM 0 HA2 GLY A 101 1.051 18.436 10.808 1.00 1.00 H new ATOM 0 HA3 GLY A 101 -0.162 18.123 12.033 1.00 1.00 H new ATOM 1242 N ARG A 102 1.771 15.693 10.756 1.00 1.00 N ATOM 1243 CA ARG A 102 2.453 14.380 10.880 1.00 1.00 C ATOM 1244 C ARG A 102 1.411 13.245 10.698 1.00 1.00 C ATOM 1245 O ARG A 102 0.199 13.481 10.637 1.00 1.00 O ATOM 1246 CB ARG A 102 3.231 14.224 12.211 1.00 1.00 C ATOM 1247 CG ARG A 102 4.361 15.232 12.462 1.00 1.00 C ATOM 1248 CD ARG A 102 4.937 15.050 13.870 1.00 1.00 C ATOM 1249 NE ARG A 102 6.133 15.886 14.101 1.00 1.00 N ATOM 1250 CZ ARG A 102 6.361 16.654 15.154 1.00 1.00 C ATOM 1251 NH1 ARG A 102 5.518 16.783 16.143 1.00 1.00 N ATOM 1252 NH2 ARG A 102 7.472 17.333 15.251 1.00 1.00 N ATOM 0 H ARG A 102 1.764 16.001 9.784 1.00 1.00 H new ATOM 0 HA ARG A 102 3.205 14.318 10.093 1.00 1.00 H new ATOM 0 HB2 ARG A 102 2.519 14.296 13.033 1.00 1.00 H new ATOM 0 HB3 ARG A 102 3.655 13.220 12.244 1.00 1.00 H new ATOM 0 HG2 ARG A 102 5.148 15.097 11.720 1.00 1.00 H new ATOM 0 HG3 ARG A 102 3.983 16.248 12.345 1.00 1.00 H new ATOM 0 HD2 ARG A 102 4.174 15.300 14.607 1.00 1.00 H new ATOM 0 HD3 ARG A 102 5.195 14.002 14.022 1.00 1.00 H new ATOM 0 HE ARG A 102 6.853 15.870 13.379 1.00 1.00 H new ATOM 0 HH11 ARG A 102 4.632 16.277 16.127 1.00 1.00 H new ATOM 0 HH12 ARG A 102 5.745 17.389 16.931 1.00 1.00 H new ATOM 0 HH21 ARG A 102 8.172 17.274 14.512 1.00 1.00 H new ATOM 0 HH22 ARG A 102 7.640 17.923 16.066 1.00 1.00 H new ATOM 1266 N GLY A 103 1.899 12.002 10.625 1.00 1.00 N ATOM 1267 CA GLY A 103 1.063 10.809 10.462 1.00 1.00 C ATOM 1268 C GLY A 103 1.778 9.601 9.863 1.00 1.00 C ATOM 1269 O GLY A 103 1.384 9.119 8.800 1.00 1.00 O ATOM 0 H GLY A 103 2.896 11.794 10.678 1.00 1.00 H new ATOM 0 HA2 GLY A 103 0.661 10.529 11.436 1.00 1.00 H new ATOM 0 HA3 GLY A 103 0.214 11.062 9.827 1.00 1.00 H new ATOM 1273 N LYS A 104 2.814 9.072 10.551 1.00 1.00 N ATOM 1274 CA LYS A 104 3.456 7.805 10.132 1.00 1.00 C ATOM 1275 C LYS A 104 2.467 6.651 10.435 1.00 1.00 C ATOM 1276 O LYS A 104 2.511 5.980 11.466 1.00 1.00 O ATOM 1277 CB LYS A 104 4.816 7.653 10.865 1.00 1.00 C ATOM 1278 CG LYS A 104 4.825 7.938 12.381 1.00 1.00 C ATOM 1279 CD LYS A 104 6.161 7.703 13.097 1.00 1.00 C ATOM 1280 CE LYS A 104 6.758 8.956 13.743 1.00 1.00 C ATOM 1281 NZ LYS A 104 5.879 9.563 14.766 1.00 1.00 N ATOM 0 H LYS A 104 3.219 9.495 11.386 1.00 1.00 H new ATOM 0 HA LYS A 104 3.676 7.790 9.064 1.00 1.00 H new ATOM 0 HB2 LYS A 104 5.174 6.636 10.709 1.00 1.00 H new ATOM 0 HB3 LYS A 104 5.535 8.321 10.390 1.00 1.00 H new ATOM 0 HG2 LYS A 104 4.528 8.975 12.538 1.00 1.00 H new ATOM 0 HG3 LYS A 104 4.067 7.314 12.853 1.00 1.00 H new ATOM 0 HD2 LYS A 104 6.019 6.944 13.866 1.00 1.00 H new ATOM 0 HD3 LYS A 104 6.878 7.301 12.381 1.00 1.00 H new ATOM 0 HE2 LYS A 104 7.714 8.700 14.201 1.00 1.00 H new ATOM 0 HE3 LYS A 104 6.964 9.693 12.967 1.00 1.00 H new ATOM 0 HZ1 LYS A 104 6.430 10.225 15.348 1.00 1.00 H new ATOM 0 HZ2 LYS A 104 5.104 10.075 14.298 1.00 1.00 H new ATOM 0 HZ3 LYS A 104 5.484 8.816 15.372 1.00 1.00 H new ATOM 1294 N SER A 105 1.562 6.436 9.470 1.00 1.00 N ATOM 1295 CA SER A 105 0.557 5.371 9.396 1.00 1.00 C ATOM 1296 C SER A 105 0.544 4.647 8.046 1.00 1.00 C ATOM 1297 O SER A 105 0.137 5.224 7.038 1.00 1.00 O ATOM 1298 CB SER A 105 -0.830 5.923 9.736 1.00 1.00 C ATOM 1299 OG SER A 105 -1.733 4.859 9.926 1.00 1.00 O ATOM 0 H SER A 105 1.511 7.052 8.658 1.00 1.00 H new ATOM 0 HA SER A 105 0.836 4.623 10.138 1.00 1.00 H new ATOM 0 HB2 SER A 105 -0.778 6.533 10.638 1.00 1.00 H new ATOM 0 HB3 SER A 105 -1.181 6.571 8.933 1.00 1.00 H new ATOM 0 HG SER A 105 -2.619 5.217 10.145 1.00 1.00 H new ATOM 1305 N PHE A 106 0.924 3.368 8.038 1.00 1.00 N ATOM 1306 CA PHE A 106 0.859 2.499 6.858 1.00 1.00 C ATOM 1307 C PHE A 106 -0.536 1.848 6.791 1.00 1.00 C ATOM 1308 O PHE A 106 -0.728 0.728 7.272 1.00 1.00 O ATOM 1309 CB PHE A 106 2.018 1.491 6.963 1.00 1.00 C ATOM 1310 CG PHE A 106 2.215 0.486 5.837 1.00 1.00 C ATOM 1311 CD1 PHE A 106 2.224 0.893 4.481 1.00 1.00 C ATOM 1312 CD2 PHE A 106 2.469 -0.868 6.154 1.00 1.00 C ATOM 1313 CE1 PHE A 106 2.508 -0.042 3.460 1.00 1.00 C ATOM 1314 CE2 PHE A 106 2.759 -1.802 5.135 1.00 1.00 C ATOM 1315 CZ PHE A 106 2.797 -1.383 3.788 1.00 1.00 C ATOM 0 H PHE A 106 1.292 2.897 8.865 1.00 1.00 H new ATOM 0 HA PHE A 106 0.981 3.046 5.923 1.00 1.00 H new ATOM 0 HB2 PHE A 106 2.943 2.059 7.065 1.00 1.00 H new ATOM 0 HB3 PHE A 106 1.886 0.930 7.888 1.00 1.00 H new ATOM 0 HD1 PHE A 106 2.013 1.921 4.226 1.00 1.00 H new ATOM 0 HD2 PHE A 106 2.441 -1.191 7.184 1.00 1.00 H new ATOM 0 HE1 PHE A 106 2.504 0.271 2.426 1.00 1.00 H new ATOM 0 HE2 PHE A 106 2.951 -2.835 5.386 1.00 1.00 H new ATOM 0 HZ PHE A 106 3.047 -2.088 3.009 1.00 1.00 H new ATOM 1325 N THR A 107 -1.524 2.572 6.230 1.00 1.00 N ATOM 1326 CA THR A 107 -2.935 2.101 6.191 1.00 1.00 C ATOM 1327 C THR A 107 -3.735 2.576 4.964 1.00 1.00 C ATOM 1328 O THR A 107 -4.843 3.110 5.056 1.00 1.00 O ATOM 1329 CB THR A 107 -3.645 2.345 7.539 1.00 1.00 C ATOM 1330 OG1 THR A 107 -4.789 1.518 7.549 1.00 1.00 O ATOM 1331 CG2 THR A 107 -4.044 3.797 7.863 1.00 1.00 C ATOM 0 H THR A 107 -1.378 3.484 5.797 1.00 1.00 H new ATOM 0 HA THR A 107 -2.892 1.021 6.049 1.00 1.00 H new ATOM 0 HB THR A 107 -2.921 2.109 8.319 1.00 1.00 H new ATOM 0 HG1 THR A 107 -5.273 1.639 8.392 1.00 1.00 H new ATOM 0 HG21 THR A 107 -4.533 3.831 8.836 1.00 1.00 H new ATOM 0 HG22 THR A 107 -3.152 4.424 7.883 1.00 1.00 H new ATOM 0 HG23 THR A 107 -4.729 4.165 7.099 1.00 1.00 H new ATOM 1339 N LEU A 108 -3.177 2.347 3.774 1.00 1.00 N ATOM 1340 CA LEU A 108 -3.702 2.806 2.489 1.00 1.00 C ATOM 1341 C LEU A 108 -4.546 1.733 1.768 1.00 1.00 C ATOM 1342 O LEU A 108 -4.114 1.253 0.728 1.00 1.00 O ATOM 1343 CB LEU A 108 -2.547 3.421 1.658 1.00 1.00 C ATOM 1344 CG LEU A 108 -1.301 2.578 1.296 1.00 1.00 C ATOM 1345 CD1 LEU A 108 -0.691 3.123 -0.002 1.00 1.00 C ATOM 1346 CD2 LEU A 108 -0.211 2.569 2.381 1.00 1.00 C ATOM 0 H LEU A 108 -2.312 1.815 3.676 1.00 1.00 H new ATOM 0 HA LEU A 108 -4.428 3.603 2.651 1.00 1.00 H new ATOM 0 HB2 LEU A 108 -2.978 3.775 0.722 1.00 1.00 H new ATOM 0 HB3 LEU A 108 -2.194 4.299 2.199 1.00 1.00 H new ATOM 0 HG LEU A 108 -1.647 1.550 1.189 1.00 1.00 H new ATOM 0 HD11 LEU A 108 0.188 2.535 -0.266 1.00 1.00 H new ATOM 0 HD12 LEU A 108 -1.425 3.057 -0.805 1.00 1.00 H new ATOM 0 HD13 LEU A 108 -0.402 4.164 0.141 1.00 1.00 H new ATOM 0 HD21 LEU A 108 0.627 1.956 2.050 1.00 1.00 H new ATOM 0 HD22 LEU A 108 0.133 3.588 2.560 1.00 1.00 H new ATOM 0 HD23 LEU A 108 -0.619 2.157 3.304 1.00 1.00 H new ATOM 1358 N THR A 109 -5.740 1.366 2.285 1.00 1.00 N ATOM 1359 CA THR A 109 -6.786 0.450 1.699 1.00 1.00 C ATOM 1360 C THR A 109 -7.944 0.122 2.675 1.00 1.00 C ATOM 1361 O THR A 109 -9.057 0.617 2.469 1.00 1.00 O ATOM 1362 CB THR A 109 -6.266 -0.860 1.027 1.00 1.00 C ATOM 1363 OG1 THR A 109 -5.508 -0.587 -0.122 1.00 1.00 O ATOM 1364 CG2 THR A 109 -7.359 -1.803 0.499 1.00 1.00 C ATOM 0 H THR A 109 -6.036 1.722 3.194 1.00 1.00 H new ATOM 0 HA THR A 109 -7.172 1.064 0.885 1.00 1.00 H new ATOM 0 HB THR A 109 -5.707 -1.326 1.839 1.00 1.00 H new ATOM 0 HG1 THR A 109 -4.746 -0.019 0.116 1.00 1.00 H new ATOM 0 HG21 THR A 109 -6.896 -2.682 0.051 1.00 1.00 H new ATOM 0 HG22 THR A 109 -8.002 -2.112 1.323 1.00 1.00 H new ATOM 0 HG23 THR A 109 -7.955 -1.285 -0.252 1.00 1.00 H new ATOM 1372 N ILE A 110 -7.748 -0.787 3.655 1.00 1.00 N ATOM 1373 CA ILE A 110 -8.824 -1.269 4.561 1.00 1.00 C ATOM 1374 C ILE A 110 -8.464 -1.299 6.054 1.00 1.00 C ATOM 1375 O ILE A 110 -7.303 -1.481 6.422 1.00 1.00 O ATOM 1376 CB ILE A 110 -9.441 -2.625 4.071 1.00 1.00 C ATOM 1377 CG1 ILE A 110 -10.976 -2.547 4.211 1.00 1.00 C ATOM 1378 CG2 ILE A 110 -8.894 -3.883 4.783 1.00 1.00 C ATOM 1379 CD1 ILE A 110 -11.793 -3.809 3.952 1.00 1.00 C ATOM 0 H ILE A 110 -6.839 -1.210 3.844 1.00 1.00 H new ATOM 0 HA ILE A 110 -9.596 -0.503 4.492 1.00 1.00 H new ATOM 0 HB ILE A 110 -9.143 -2.747 3.030 1.00 1.00 H new ATOM 0 HG12 ILE A 110 -11.200 -2.208 5.222 1.00 1.00 H new ATOM 0 HG13 ILE A 110 -11.333 -1.775 3.529 1.00 1.00 H new ATOM 0 HG21 ILE A 110 -9.379 -4.771 4.377 1.00 1.00 H new ATOM 0 HG22 ILE A 110 -7.818 -3.953 4.623 1.00 1.00 H new ATOM 0 HG23 ILE A 110 -9.098 -3.814 5.851 1.00 1.00 H new ATOM 0 HD11 ILE A 110 -12.852 -3.592 4.090 1.00 1.00 H new ATOM 0 HD12 ILE A 110 -11.623 -4.149 2.931 1.00 1.00 H new ATOM 0 HD13 ILE A 110 -11.489 -4.589 4.650 1.00 1.00 H new ATOM 1391 N THR A 111 -9.507 -1.215 6.893 1.00 1.00 N ATOM 1392 CA THR A 111 -9.493 -1.418 8.357 1.00 1.00 C ATOM 1393 C THR A 111 -10.678 -2.301 8.822 1.00 1.00 C ATOM 1394 O THR A 111 -11.825 -1.848 8.903 1.00 1.00 O ATOM 1395 CB THR A 111 -9.446 -0.088 9.149 1.00 1.00 C ATOM 1396 OG1 THR A 111 -8.324 0.699 8.785 1.00 1.00 O ATOM 1397 CG2 THR A 111 -9.327 -0.318 10.664 1.00 1.00 C ATOM 0 H THR A 111 -10.441 -0.990 6.551 1.00 1.00 H new ATOM 0 HA THR A 111 -8.567 -1.948 8.580 1.00 1.00 H new ATOM 0 HB THR A 111 -10.381 0.418 8.906 1.00 1.00 H new ATOM 0 HG1 THR A 111 -8.380 0.929 7.834 1.00 1.00 H new ATOM 0 HG21 THR A 111 -9.298 0.643 11.177 1.00 1.00 H new ATOM 0 HG22 THR A 111 -10.187 -0.890 11.014 1.00 1.00 H new ATOM 0 HG23 THR A 111 -8.412 -0.871 10.877 1.00 1.00 H new ATOM 1405 N VAL A 112 -10.390 -3.565 9.187 1.00 1.00 N ATOM 1406 CA VAL A 112 -11.359 -4.498 9.801 1.00 1.00 C ATOM 1407 C VAL A 112 -11.608 -4.098 11.264 1.00 1.00 C ATOM 1408 O VAL A 112 -10.820 -4.343 12.176 1.00 1.00 O ATOM 1409 CB VAL A 112 -10.987 -5.994 9.686 1.00 1.00 C ATOM 1410 CG1 VAL A 112 -11.918 -6.918 10.503 1.00 1.00 C ATOM 1411 CG2 VAL A 112 -11.008 -6.512 8.233 1.00 1.00 C ATOM 0 H VAL A 112 -9.464 -3.974 9.062 1.00 1.00 H new ATOM 0 HA VAL A 112 -12.278 -4.402 9.222 1.00 1.00 H new ATOM 0 HB VAL A 112 -9.974 -6.034 10.087 1.00 1.00 H new ATOM 0 HG11 VAL A 112 -11.603 -7.954 10.379 1.00 1.00 H new ATOM 0 HG12 VAL A 112 -11.866 -6.647 11.557 1.00 1.00 H new ATOM 0 HG13 VAL A 112 -12.943 -6.806 10.150 1.00 1.00 H new ATOM 0 HG21 VAL A 112 -10.738 -7.568 8.219 1.00 1.00 H new ATOM 0 HG22 VAL A 112 -12.008 -6.387 7.817 1.00 1.00 H new ATOM 0 HG23 VAL A 112 -10.293 -5.947 7.635 1.00 1.00 H new ATOM 1421 N PHE A 113 -12.770 -3.483 11.422 1.00 1.00 N ATOM 1422 CA PHE A 113 -13.522 -3.058 12.595 1.00 1.00 C ATOM 1423 C PHE A 113 -14.073 -4.295 13.339 1.00 1.00 C ATOM 1424 O PHE A 113 -15.235 -4.689 13.235 1.00 1.00 O ATOM 1425 CB PHE A 113 -14.610 -2.087 12.111 1.00 1.00 C ATOM 1426 CG PHE A 113 -15.379 -1.327 13.172 1.00 1.00 C ATOM 1427 CD1 PHE A 113 -16.559 -1.869 13.733 1.00 1.00 C ATOM 1428 CD2 PHE A 113 -14.938 -0.045 13.568 1.00 1.00 C ATOM 1429 CE1 PHE A 113 -17.291 -1.134 14.688 1.00 1.00 C ATOM 1430 CE2 PHE A 113 -15.677 0.695 14.517 1.00 1.00 C ATOM 1431 CZ PHE A 113 -16.856 0.153 15.076 1.00 1.00 C ATOM 0 H PHE A 113 -13.294 -3.229 10.585 1.00 1.00 H new ATOM 0 HA PHE A 113 -12.899 -2.535 13.321 1.00 1.00 H new ATOM 0 HB2 PHE A 113 -14.143 -1.360 11.446 1.00 1.00 H new ATOM 0 HB3 PHE A 113 -15.326 -2.652 11.514 1.00 1.00 H new ATOM 0 HD1 PHE A 113 -16.900 -2.848 13.429 1.00 1.00 H new ATOM 0 HD2 PHE A 113 -14.035 0.370 13.145 1.00 1.00 H new ATOM 0 HE1 PHE A 113 -18.185 -1.555 15.123 1.00 1.00 H new ATOM 0 HE2 PHE A 113 -15.340 1.677 14.816 1.00 1.00 H new ATOM 0 HZ PHE A 113 -17.423 0.721 15.798 1.00 1.00 H new ATOM 1441 N THR A 114 -13.166 -4.998 14.011 1.00 1.00 N ATOM 1442 CA THR A 114 -13.406 -6.169 14.898 1.00 1.00 C ATOM 1443 C THR A 114 -12.291 -6.241 15.967 1.00 1.00 C ATOM 1444 O THR A 114 -11.257 -5.585 15.826 1.00 1.00 O ATOM 1445 CB THR A 114 -13.552 -7.451 14.036 1.00 1.00 C ATOM 1446 OG1 THR A 114 -14.676 -7.303 13.184 1.00 1.00 O ATOM 1447 CG2 THR A 114 -13.801 -8.761 14.797 1.00 1.00 C ATOM 0 H THR A 114 -12.175 -4.763 13.958 1.00 1.00 H new ATOM 0 HA THR A 114 -14.343 -6.067 15.445 1.00 1.00 H new ATOM 0 HB THR A 114 -12.589 -7.537 13.532 1.00 1.00 H new ATOM 0 HG1 THR A 114 -15.152 -6.477 13.411 1.00 1.00 H new ATOM 0 HG21 THR A 114 -13.885 -9.584 14.087 1.00 1.00 H new ATOM 0 HG22 THR A 114 -12.970 -8.951 15.476 1.00 1.00 H new ATOM 0 HG23 THR A 114 -14.725 -8.679 15.369 1.00 1.00 H new ATOM 1455 N ASN A 115 -12.494 -6.998 17.061 1.00 1.00 N ATOM 1456 CA ASN A 115 -11.588 -7.051 18.222 1.00 1.00 C ATOM 1457 C ASN A 115 -10.088 -7.216 17.848 1.00 1.00 C ATOM 1458 O ASN A 115 -9.264 -6.578 18.509 1.00 1.00 O ATOM 1459 CB ASN A 115 -12.129 -8.084 19.230 1.00 1.00 C ATOM 1460 CG ASN A 115 -12.133 -7.585 20.666 1.00 1.00 C ATOM 1461 OD1 ASN A 115 -13.155 -7.471 21.315 1.00 1.00 O ATOM 1462 ND2 ASN A 115 -10.976 -7.259 21.204 1.00 1.00 N ATOM 0 H ASN A 115 -13.309 -7.602 17.164 1.00 1.00 H new ATOM 0 HA ASN A 115 -11.587 -6.078 18.714 1.00 1.00 H new ATOM 0 HB2 ASN A 115 -13.145 -8.359 18.946 1.00 1.00 H new ATOM 0 HB3 ASN A 115 -11.525 -8.989 19.170 1.00 1.00 H new ATOM 0 HD21 ASN A 115 -10.939 -6.912 22.162 1.00 1.00 H new ATOM 0 HD22 ASN A 115 -10.117 -7.354 20.662 1.00 1.00 H new ATOM 1469 N PRO A 116 -9.725 -8.076 16.862 1.00 1.00 N ATOM 1470 CA PRO A 116 -8.407 -8.151 16.232 1.00 1.00 C ATOM 1471 C PRO A 116 -8.434 -7.225 14.975 1.00 1.00 C ATOM 1472 O PRO A 116 -9.016 -7.610 13.952 1.00 1.00 O ATOM 1473 CB PRO A 116 -8.199 -9.620 15.844 1.00 1.00 C ATOM 1474 CG PRO A 116 -9.627 -10.108 15.578 1.00 1.00 C ATOM 1475 CD PRO A 116 -10.497 -9.262 16.505 1.00 1.00 C ATOM 0 HA PRO A 116 -7.595 -7.826 16.883 1.00 1.00 H new ATOM 0 HB2 PRO A 116 -7.567 -9.719 14.962 1.00 1.00 H new ATOM 0 HB3 PRO A 116 -7.721 -10.186 16.644 1.00 1.00 H new ATOM 0 HG2 PRO A 116 -9.907 -9.968 14.534 1.00 1.00 H new ATOM 0 HG3 PRO A 116 -9.731 -11.171 15.796 1.00 1.00 H new ATOM 0 HD2 PRO A 116 -11.426 -8.981 16.009 1.00 1.00 H new ATOM 0 HD3 PRO A 116 -10.770 -9.826 17.397 1.00 1.00 H new ATOM 1483 N PRO A 117 -7.864 -5.991 15.020 1.00 1.00 N ATOM 1484 CA PRO A 117 -7.924 -5.012 13.921 1.00 1.00 C ATOM 1485 C PRO A 117 -7.168 -5.523 12.680 1.00 1.00 C ATOM 1486 O PRO A 117 -5.960 -5.760 12.770 1.00 1.00 O ATOM 1487 CB PRO A 117 -7.309 -3.719 14.468 1.00 1.00 C ATOM 1488 CG PRO A 117 -6.380 -4.210 15.581 1.00 1.00 C ATOM 1489 CD PRO A 117 -7.048 -5.479 16.112 1.00 1.00 C ATOM 0 HA PRO A 117 -8.950 -4.844 13.594 1.00 1.00 H new ATOM 0 HB2 PRO A 117 -6.761 -3.177 13.697 1.00 1.00 H new ATOM 0 HB3 PRO A 117 -8.072 -3.042 14.851 1.00 1.00 H new ATOM 0 HG2 PRO A 117 -5.380 -4.419 15.199 1.00 1.00 H new ATOM 0 HG3 PRO A 117 -6.272 -3.461 16.366 1.00 1.00 H new ATOM 0 HD2 PRO A 117 -6.303 -6.213 16.419 1.00 1.00 H new ATOM 0 HD3 PRO A 117 -7.660 -5.261 16.987 1.00 1.00 H new ATOM 1497 N GLN A 118 -7.840 -5.691 11.521 1.00 1.00 N ATOM 1498 CA GLN A 118 -7.216 -6.325 10.332 1.00 1.00 C ATOM 1499 C GLN A 118 -7.176 -5.357 9.140 1.00 1.00 C ATOM 1500 O GLN A 118 -8.182 -5.065 8.497 1.00 1.00 O ATOM 1501 CB GLN A 118 -7.807 -7.725 10.078 1.00 1.00 C ATOM 1502 CG GLN A 118 -6.909 -8.677 9.277 1.00 1.00 C ATOM 1503 CD GLN A 118 -7.248 -10.129 9.602 1.00 1.00 C ATOM 1504 OE1 GLN A 118 -8.037 -10.781 8.949 1.00 1.00 O ATOM 1505 NE2 GLN A 118 -6.688 -10.697 10.652 1.00 1.00 N ATOM 0 H GLN A 118 -8.807 -5.400 11.380 1.00 1.00 H new ATOM 0 HA GLN A 118 -6.162 -6.526 10.522 1.00 1.00 H new ATOM 0 HB2 GLN A 118 -8.033 -8.187 11.039 1.00 1.00 H new ATOM 0 HB3 GLN A 118 -8.753 -7.612 9.549 1.00 1.00 H new ATOM 0 HG2 GLN A 118 -7.038 -8.497 8.210 1.00 1.00 H new ATOM 0 HG3 GLN A 118 -5.862 -8.481 9.509 1.00 1.00 H new ATOM 0 HE21 GLN A 118 -6.021 -10.174 11.220 1.00 1.00 H new ATOM 0 HE22 GLN A 118 -6.922 -11.659 10.896 1.00 1.00 H new ATOM 1514 N VAL A 119 -5.986 -4.798 8.907 1.00 1.00 N ATOM 1515 CA VAL A 119 -5.681 -3.723 7.946 1.00 1.00 C ATOM 1516 C VAL A 119 -4.992 -4.231 6.669 1.00 1.00 C ATOM 1517 O VAL A 119 -4.145 -5.119 6.709 1.00 1.00 O ATOM 1518 CB VAL A 119 -4.863 -2.565 8.592 1.00 1.00 C ATOM 1519 CG1 VAL A 119 -5.615 -1.925 9.774 1.00 1.00 C ATOM 1520 CG2 VAL A 119 -3.447 -2.965 9.054 1.00 1.00 C ATOM 0 H VAL A 119 -5.154 -5.100 9.414 1.00 1.00 H new ATOM 0 HA VAL A 119 -6.650 -3.323 7.648 1.00 1.00 H new ATOM 0 HB VAL A 119 -4.746 -1.840 7.787 1.00 1.00 H new ATOM 0 HG11 VAL A 119 -5.012 -1.122 10.197 1.00 1.00 H new ATOM 0 HG12 VAL A 119 -6.565 -1.520 9.425 1.00 1.00 H new ATOM 0 HG13 VAL A 119 -5.802 -2.680 10.538 1.00 1.00 H new ATOM 0 HG21 VAL A 119 -2.949 -2.100 9.491 1.00 1.00 H new ATOM 0 HG22 VAL A 119 -3.518 -3.758 9.799 1.00 1.00 H new ATOM 0 HG23 VAL A 119 -2.872 -3.321 8.199 1.00 1.00 H new ATOM 1530 N ALA A 120 -5.334 -3.600 5.539 1.00 1.00 N ATOM 1531 CA ALA A 120 -4.749 -3.838 4.208 1.00 1.00 C ATOM 1532 C ALA A 120 -4.142 -2.560 3.596 1.00 1.00 C ATOM 1533 O ALA A 120 -4.550 -1.436 3.901 1.00 1.00 O ATOM 1534 CB ALA A 120 -5.777 -4.511 3.276 1.00 1.00 C ATOM 0 H ALA A 120 -6.056 -2.879 5.523 1.00 1.00 H new ATOM 0 HA ALA A 120 -3.914 -4.528 4.330 1.00 1.00 H new ATOM 0 HB1 ALA A 120 -5.326 -4.679 2.298 1.00 1.00 H new ATOM 0 HB2 ALA A 120 -6.084 -5.466 3.702 1.00 1.00 H new ATOM 0 HB3 ALA A 120 -6.648 -3.865 3.168 1.00 1.00 H new ATOM 1540 N THR A 121 -3.173 -2.758 2.690 1.00 1.00 N ATOM 1541 CA THR A 121 -2.339 -1.718 2.051 1.00 1.00 C ATOM 1542 C THR A 121 -2.333 -1.801 0.515 1.00 1.00 C ATOM 1543 O THR A 121 -2.217 -2.902 -0.039 1.00 1.00 O ATOM 1544 CB THR A 121 -0.907 -1.775 2.627 1.00 1.00 C ATOM 1545 OG1 THR A 121 -0.203 -0.633 2.216 1.00 1.00 O ATOM 1546 CG2 THR A 121 -0.077 -3.009 2.230 1.00 1.00 C ATOM 0 H THR A 121 -2.934 -3.694 2.364 1.00 1.00 H new ATOM 0 HA THR A 121 -2.785 -0.752 2.286 1.00 1.00 H new ATOM 0 HB THR A 121 -1.040 -1.832 3.707 1.00 1.00 H new ATOM 0 HG1 THR A 121 0.645 -0.578 2.704 1.00 1.00 H new ATOM 0 HG21 THR A 121 0.910 -2.947 2.689 1.00 1.00 H new ATOM 0 HG22 THR A 121 -0.581 -3.912 2.574 1.00 1.00 H new ATOM 0 HG23 THR A 121 0.028 -3.043 1.146 1.00 1.00 H new ATOM 1554 N TYR A 122 -2.389 -0.673 -0.198 1.00 1.00 N ATOM 1555 CA TYR A 122 -2.340 -0.621 -1.663 1.00 1.00 C ATOM 1556 C TYR A 122 -0.870 -0.521 -2.106 1.00 1.00 C ATOM 1557 O TYR A 122 -0.239 0.542 -2.033 1.00 1.00 O ATOM 1558 CB TYR A 122 -3.171 0.592 -2.123 1.00 1.00 C ATOM 1559 CG TYR A 122 -3.253 0.939 -3.604 1.00 1.00 C ATOM 1560 CD1 TYR A 122 -3.294 -0.071 -4.594 1.00 1.00 C ATOM 1561 CD2 TYR A 122 -3.349 2.298 -3.995 1.00 1.00 C ATOM 1562 CE1 TYR A 122 -3.472 0.269 -5.955 1.00 1.00 C ATOM 1563 CE2 TYR A 122 -3.506 2.645 -5.356 1.00 1.00 C ATOM 1564 CZ TYR A 122 -3.602 1.625 -6.331 1.00 1.00 C ATOM 1565 OH TYR A 122 -3.846 1.939 -7.632 1.00 1.00 O ATOM 0 H TYR A 122 -2.471 0.247 0.234 1.00 1.00 H new ATOM 0 HA TYR A 122 -2.761 -1.519 -2.116 1.00 1.00 H new ATOM 0 HB2 TYR A 122 -4.190 0.440 -1.768 1.00 1.00 H new ATOM 0 HB3 TYR A 122 -2.780 1.468 -1.605 1.00 1.00 H new ATOM 0 HD1 TYR A 122 -3.189 -1.107 -4.309 1.00 1.00 H new ATOM 0 HD2 TYR A 122 -3.302 3.075 -3.246 1.00 1.00 H new ATOM 0 HE1 TYR A 122 -3.509 -0.506 -6.706 1.00 1.00 H new ATOM 0 HE2 TYR A 122 -3.552 3.683 -5.650 1.00 1.00 H new ATOM 0 HH TYR A 122 -4.811 1.909 -7.800 1.00 1.00 H new ATOM 1575 N HIS A 123 -0.353 -1.600 -2.704 1.00 1.00 N ATOM 1576 CA HIS A 123 1.069 -1.735 -3.062 1.00 1.00 C ATOM 1577 C HIS A 123 1.360 -1.376 -4.532 1.00 1.00 C ATOM 1578 O HIS A 123 1.895 -2.172 -5.304 1.00 1.00 O ATOM 1579 CB HIS A 123 1.606 -3.090 -2.578 1.00 1.00 C ATOM 1580 CG HIS A 123 3.090 -3.052 -2.307 1.00 1.00 C ATOM 1581 ND1 HIS A 123 3.685 -2.460 -1.211 1.00 1.00 N ATOM 1582 CD2 HIS A 123 4.076 -3.453 -3.165 1.00 1.00 C ATOM 1583 CE1 HIS A 123 5.020 -2.503 -1.398 1.00 1.00 C ATOM 1584 NE2 HIS A 123 5.283 -3.115 -2.576 1.00 1.00 N ATOM 0 H HIS A 123 -0.913 -2.414 -2.957 1.00 1.00 H new ATOM 0 HA HIS A 123 1.647 -0.981 -2.527 1.00 1.00 H new ATOM 0 HB2 HIS A 123 1.080 -3.384 -1.670 1.00 1.00 H new ATOM 0 HB3 HIS A 123 1.395 -3.852 -3.329 1.00 1.00 H new ATOM 0 HD2 HIS A 123 3.940 -3.940 -4.119 1.00 1.00 H new ATOM 0 HE1 HIS A 123 5.761 -2.112 -0.717 1.00 1.00 H new ATOM 0 HE2 HIS A 123 6.209 -3.296 -2.963 1.00 1.00 H new ATOM 1593 N ARG A 124 0.983 -0.135 -4.886 1.00 1.00 N ATOM 1594 CA ARG A 124 1.024 0.485 -6.224 1.00 1.00 C ATOM 1595 C ARG A 124 1.632 1.900 -6.193 1.00 1.00 C ATOM 1596 O ARG A 124 2.661 2.132 -6.817 1.00 1.00 O ATOM 1597 CB ARG A 124 -0.417 0.468 -6.789 1.00 1.00 C ATOM 1598 CG ARG A 124 -0.751 -0.546 -7.895 1.00 1.00 C ATOM 1599 CD ARG A 124 -0.707 -2.033 -7.496 1.00 1.00 C ATOM 1600 NE ARG A 124 -1.289 -2.922 -8.530 1.00 1.00 N ATOM 1601 CZ ARG A 124 -0.868 -3.136 -9.763 1.00 1.00 C ATOM 1602 NH1 ARG A 124 0.235 -2.642 -10.237 1.00 1.00 N ATOM 1603 NH2 ARG A 124 -1.573 -3.862 -10.569 1.00 1.00 N ATOM 0 H ARG A 124 0.612 0.512 -4.190 1.00 1.00 H new ATOM 0 HA ARG A 124 1.683 -0.084 -6.880 1.00 1.00 H new ATOM 0 HB2 ARG A 124 -1.099 0.290 -5.957 1.00 1.00 H new ATOM 0 HB3 ARG A 124 -0.636 1.464 -7.173 1.00 1.00 H new ATOM 0 HG2 ARG A 124 -1.749 -0.323 -8.273 1.00 1.00 H new ATOM 0 HG3 ARG A 124 -0.056 -0.393 -8.720 1.00 1.00 H new ATOM 0 HD2 ARG A 124 0.327 -2.325 -7.312 1.00 1.00 H new ATOM 0 HD3 ARG A 124 -1.248 -2.170 -6.560 1.00 1.00 H new ATOM 0 HE ARG A 124 -2.125 -3.436 -8.252 1.00 1.00 H new ATOM 0 HH11 ARG A 124 0.826 -2.055 -9.648 1.00 1.00 H new ATOM 0 HH12 ARG A 124 0.511 -2.841 -11.199 1.00 1.00 H new ATOM 0 HH21 ARG A 124 -2.453 -4.268 -10.252 1.00 1.00 H new ATOM 0 HH22 ARG A 124 -1.249 -4.028 -11.522 1.00 1.00 H new ATOM 1617 N ALA A 125 1.000 2.835 -5.465 1.00 1.00 N ATOM 1618 CA ALA A 125 1.354 4.265 -5.399 1.00 1.00 C ATOM 1619 C ALA A 125 2.625 4.628 -4.581 1.00 1.00 C ATOM 1620 O ALA A 125 3.114 5.742 -4.743 1.00 1.00 O ATOM 1621 CB ALA A 125 0.120 5.029 -4.883 1.00 1.00 C ATOM 0 H ALA A 125 0.195 2.607 -4.882 1.00 1.00 H new ATOM 0 HA ALA A 125 1.631 4.563 -6.410 1.00 1.00 H new ATOM 0 HB1 ALA A 125 0.350 6.093 -4.823 1.00 1.00 H new ATOM 0 HB2 ALA A 125 -0.715 4.876 -5.567 1.00 1.00 H new ATOM 0 HB3 ALA A 125 -0.149 4.659 -3.894 1.00 1.00 H new ATOM 1627 N ILE A 126 3.142 3.710 -3.741 1.00 1.00 N ATOM 1628 CA ILE A 126 4.291 3.764 -2.796 1.00 1.00 C ATOM 1629 C ILE A 126 4.855 5.186 -2.544 1.00 1.00 C ATOM 1630 O ILE A 126 4.436 5.865 -1.604 1.00 1.00 O ATOM 1631 CB ILE A 126 5.396 2.731 -3.185 1.00 1.00 C ATOM 1632 CG1 ILE A 126 4.857 1.346 -3.615 1.00 1.00 C ATOM 1633 CG2 ILE A 126 6.442 2.572 -2.059 1.00 1.00 C ATOM 1634 CD1 ILE A 126 3.939 0.610 -2.635 1.00 1.00 C ATOM 0 H ILE A 126 2.710 2.787 -3.699 1.00 1.00 H new ATOM 0 HA ILE A 126 3.889 3.469 -1.827 1.00 1.00 H new ATOM 0 HB ILE A 126 5.874 3.156 -4.068 1.00 1.00 H new ATOM 0 HG12 ILE A 126 4.316 1.472 -4.553 1.00 1.00 H new ATOM 0 HG13 ILE A 126 5.712 0.702 -3.824 1.00 1.00 H new ATOM 0 HG21 ILE A 126 7.196 1.846 -2.363 1.00 1.00 H new ATOM 0 HG22 ILE A 126 6.920 3.533 -1.868 1.00 1.00 H new ATOM 0 HG23 ILE A 126 5.949 2.225 -1.151 1.00 1.00 H new ATOM 0 HD11 ILE A 126 3.638 -0.345 -3.066 1.00 1.00 H new ATOM 0 HD12 ILE A 126 4.471 0.434 -1.700 1.00 1.00 H new ATOM 0 HD13 ILE A 126 3.054 1.216 -2.441 1.00 1.00 H new ATOM 1646 N LYS A 127 5.791 5.654 -3.395 1.00 1.00 N ATOM 1647 CA LYS A 127 6.391 6.996 -3.383 1.00 1.00 C ATOM 1648 C LYS A 127 5.445 8.018 -4.043 1.00 1.00 C ATOM 1649 O LYS A 127 5.407 8.164 -5.265 1.00 1.00 O ATOM 1650 CB LYS A 127 7.788 6.945 -4.036 1.00 1.00 C ATOM 1651 CG LYS A 127 8.552 8.278 -4.001 1.00 1.00 C ATOM 1652 CD LYS A 127 8.835 8.736 -2.568 1.00 1.00 C ATOM 1653 CE LYS A 127 9.340 10.181 -2.527 1.00 1.00 C ATOM 1654 NZ LYS A 127 9.496 10.647 -1.135 1.00 1.00 N ATOM 0 H LYS A 127 6.165 5.074 -4.146 1.00 1.00 H new ATOM 0 HA LYS A 127 6.530 7.334 -2.356 1.00 1.00 H new ATOM 0 HB2 LYS A 127 8.384 6.185 -3.532 1.00 1.00 H new ATOM 0 HB3 LYS A 127 7.680 6.629 -5.074 1.00 1.00 H new ATOM 0 HG2 LYS A 127 9.493 8.171 -4.541 1.00 1.00 H new ATOM 0 HG3 LYS A 127 7.972 9.042 -4.519 1.00 1.00 H new ATOM 0 HD2 LYS A 127 7.926 8.651 -1.972 1.00 1.00 H new ATOM 0 HD3 LYS A 127 9.576 8.078 -2.115 1.00 1.00 H new ATOM 0 HE2 LYS A 127 10.295 10.251 -3.047 1.00 1.00 H new ATOM 0 HE3 LYS A 127 8.641 10.829 -3.055 1.00 1.00 H new ATOM 0 HZ1 LYS A 127 9.757 11.654 -1.133 1.00 1.00 H new ATOM 0 HZ2 LYS A 127 8.599 10.521 -0.624 1.00 1.00 H new ATOM 0 HZ3 LYS A 127 10.242 10.095 -0.666 1.00 1.00 H new ATOM 1667 N ILE A 128 4.689 8.727 -3.192 1.00 1.00 N ATOM 1668 CA ILE A 128 3.690 9.740 -3.569 1.00 1.00 C ATOM 1669 C ILE A 128 4.293 11.163 -3.622 1.00 1.00 C ATOM 1670 O ILE A 128 5.343 11.466 -3.052 1.00 1.00 O ATOM 1671 CB ILE A 128 2.395 9.669 -2.698 1.00 1.00 C ATOM 1672 CG1 ILE A 128 2.308 10.690 -1.538 1.00 1.00 C ATOM 1673 CG2 ILE A 128 1.982 8.252 -2.241 1.00 1.00 C ATOM 1674 CD1 ILE A 128 3.343 10.631 -0.414 1.00 1.00 C ATOM 0 H ILE A 128 4.759 8.606 -2.182 1.00 1.00 H new ATOM 0 HA ILE A 128 3.378 9.497 -4.585 1.00 1.00 H new ATOM 0 HB ILE A 128 1.644 9.984 -3.423 1.00 1.00 H new ATOM 0 HG12 ILE A 128 2.354 11.688 -1.975 1.00 1.00 H new ATOM 0 HG13 ILE A 128 1.323 10.587 -1.083 1.00 1.00 H new ATOM 0 HG21 ILE A 128 1.072 8.313 -1.643 1.00 1.00 H new ATOM 0 HG22 ILE A 128 1.801 7.626 -3.115 1.00 1.00 H new ATOM 0 HG23 ILE A 128 2.781 7.816 -1.642 1.00 1.00 H new ATOM 0 HD11 ILE A 128 3.135 11.415 0.314 1.00 1.00 H new ATOM 0 HD12 ILE A 128 3.293 9.659 0.076 1.00 1.00 H new ATOM 0 HD13 ILE A 128 4.340 10.777 -0.830 1.00 1.00 H new ATOM 1686 N THR A 129 3.571 12.051 -4.310 1.00 1.00 N ATOM 1687 CA THR A 129 3.999 13.424 -4.644 1.00 1.00 C ATOM 1688 C THR A 129 3.335 14.490 -3.752 1.00 1.00 C ATOM 1689 O THR A 129 2.109 14.571 -3.678 1.00 1.00 O ATOM 1690 CB THR A 129 3.727 13.746 -6.137 1.00 1.00 C ATOM 1691 OG1 THR A 129 3.795 12.622 -7.001 1.00 1.00 O ATOM 1692 CG2 THR A 129 4.758 14.754 -6.638 1.00 1.00 C ATOM 0 H THR A 129 2.640 11.833 -4.665 1.00 1.00 H new ATOM 0 HA THR A 129 5.072 13.460 -4.456 1.00 1.00 H new ATOM 0 HB THR A 129 2.708 14.131 -6.166 1.00 1.00 H new ATOM 0 HG1 THR A 129 2.965 12.106 -6.932 1.00 1.00 H new ATOM 0 HG21 THR A 129 4.566 14.980 -7.687 1.00 1.00 H new ATOM 0 HG22 THR A 129 4.687 15.670 -6.051 1.00 1.00 H new ATOM 0 HG23 THR A 129 5.758 14.333 -6.534 1.00 1.00 H new ATOM 1700 N VAL A 130 4.148 15.340 -3.103 1.00 1.00 N ATOM 1701 CA VAL A 130 3.697 16.399 -2.164 1.00 1.00 C ATOM 1702 C VAL A 130 2.987 17.558 -2.896 1.00 1.00 C ATOM 1703 O VAL A 130 1.836 17.845 -2.570 1.00 1.00 O ATOM 1704 CB VAL A 130 4.851 16.887 -1.243 1.00 1.00 C ATOM 1705 CG1 VAL A 130 4.379 17.929 -0.209 1.00 1.00 C ATOM 1706 CG2 VAL A 130 5.475 15.709 -0.459 1.00 1.00 C ATOM 0 H VAL A 130 5.162 15.315 -3.214 1.00 1.00 H new ATOM 0 HA VAL A 130 2.950 15.951 -1.509 1.00 1.00 H new ATOM 0 HB VAL A 130 5.584 17.342 -1.909 1.00 1.00 H new ATOM 0 HG11 VAL A 130 5.223 18.237 0.409 1.00 1.00 H new ATOM 0 HG12 VAL A 130 3.973 18.798 -0.727 1.00 1.00 H new ATOM 0 HG13 VAL A 130 3.607 17.490 0.424 1.00 1.00 H new ATOM 0 HG21 VAL A 130 6.279 16.080 0.176 1.00 1.00 H new ATOM 0 HG22 VAL A 130 4.711 15.239 0.160 1.00 1.00 H new ATOM 0 HG23 VAL A 130 5.875 14.977 -1.160 1.00 1.00 H new ATOM 1716 N ASP A 131 3.654 18.204 -3.870 1.00 1.00 N ATOM 1717 CA ASP A 131 3.109 19.245 -4.761 1.00 1.00 C ATOM 1718 C ASP A 131 2.700 18.693 -6.152 1.00 1.00 C ATOM 1719 O ASP A 131 1.512 18.566 -6.423 1.00 1.00 O ATOM 1720 CB ASP A 131 4.137 20.388 -4.833 1.00 1.00 C ATOM 1721 CG ASP A 131 3.633 21.698 -5.458 1.00 1.00 C ATOM 1722 OD1 ASP A 131 2.432 21.999 -5.292 1.00 1.00 O ATOM 1723 OD2 ASP A 131 4.482 22.397 -6.050 1.00 1.00 O ATOM 0 H ASP A 131 4.635 18.005 -4.067 1.00 1.00 H new ATOM 0 HA ASP A 131 2.175 19.630 -4.352 1.00 1.00 H new ATOM 0 HB2 ASP A 131 4.489 20.600 -3.823 1.00 1.00 H new ATOM 0 HB3 ASP A 131 4.998 20.042 -5.404 1.00 1.00 H new ATOM 1728 N GLY A 132 3.661 18.310 -7.009 1.00 1.00 N ATOM 1729 CA GLY A 132 3.457 17.677 -8.327 1.00 1.00 C ATOM 1730 C GLY A 132 4.771 17.206 -9.013 1.00 1.00 C ATOM 1731 O GLY A 132 5.836 17.730 -8.672 1.00 1.00 O ATOM 0 H GLY A 132 4.650 18.439 -6.793 1.00 1.00 H new ATOM 0 HA2 GLY A 132 2.794 16.820 -8.208 1.00 1.00 H new ATOM 0 HA3 GLY A 132 2.950 18.384 -8.984 1.00 1.00 H new