USER MOD reduce.3.24.130724 H: found=0, std=0, add=944, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 946 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 32 SER OG : rot -165:sc= -1.14 USER MOD Set 1.2: A 92 TYR OH : rot 25:sc= 1.17 USER MOD Set 2.1: A 26 SER OG : rot 45:sc= -0.414 USER MOD Set 2.2: A 73 ASN : amide:sc= -1.45 K(o=-3.6,f=-6.3!) USER MOD Set 2.3: A 79 TYR OH : rot 24:sc= -1.77! USER MOD Set 3.1: A 18 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 22 HIS : no HE2:sc= -3.86! C(o=-3.9!,f=-8.3!) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 170:sc= -0.0858 USER MOD Single : A 11 TYR OH : rot 180:sc= -0.111 USER MOD Single : A 12 ASN : amide:sc= -2.69! K(o=-2.7!,f=0.0055) USER MOD Single : A 13 GLN : amide:sc= -6.4! C(o=-6.4!,f=-6.6!) USER MOD Single : A 14 ASN : amide:sc= -0.116 K(o=-0.12,f=-1.4!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -1.64 K(o=-1.6,f=-3.2!) USER MOD Single : A 20 SER OG : rot -71:sc= 0.0924 USER MOD Single : A 21 HIS : no HD1:sc= -0.821 K(o=-0.82,f=-0.21) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot -87:sc= -0.826 USER MOD Single : A 33 SER OG : rot 69:sc= 0.26 USER MOD Single : A 34 TYR OH : rot 180:sc= -0.0156 USER MOD Single : A 36 HIS : no HD1:sc= -9.98 K(o=-10,f=-12!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0898 USER MOD Single : A 40 ASN : amide:sc= -0.451 X(o=-0.45,f=-0.26!) USER MOD Single : A 42 TYR OH : rot 68:sc= 0.0602 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0215 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 HIS : no HD1:sc= -2.57 X(o=-2.6,f=-2.8) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 HIS : no HE2:sc= -7.14! C(o=-7.1!,f=-7.7!) USER MOD Single : A 85 THR OG1 : rot -100:sc= -0.762 USER MOD Single : A 90 HIS : no HD1:sc= -2.53! C(o=-2.5!,f=-7.3!) USER MOD Single : A 93 LYS NZ :NH3+ -143:sc= -0.943 (180deg=-1.33) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN : amide:sc= -0.617 K(o=-0.62,f=-1.5) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 ASN : amide:sc= -0.205 K(o=-0.2,f=-2.5!) USER MOD Single : A 115 LYS NZ :NH3+ -144:sc= -0.269 (180deg=-0.843) USER MOD Single : A 132 LYS NZ :NH3+ -137:sc= 0.923 (180deg=-0.449) USER MOD Single : A 135 SER OG : rot 35:sc= 0.532 USER MOD Single : A 136 HIS : no HD1:sc= -4.81 K(o=-4.8,f=-5.6!) USER MOD ----------------------------------------------------------------- ATOM 13 N VAL A 2 2.796 -1.613 -2.904 1.00 0.00 N ATOM 14 CA VAL A 2 2.820 -2.904 -3.579 1.00 0.00 C ATOM 15 C VAL A 2 2.837 -4.057 -2.572 1.00 0.00 C ATOM 16 O VAL A 2 3.237 -3.893 -1.417 1.00 0.00 O ATOM 17 CB VAL A 2 4.000 -2.945 -4.560 1.00 0.00 C ATOM 18 CG1 VAL A 2 5.333 -2.730 -3.837 1.00 0.00 C ATOM 19 CG2 VAL A 2 4.002 -4.252 -5.344 1.00 0.00 C ATOM 0 HA VAL A 2 1.905 -3.031 -4.157 1.00 0.00 H new ATOM 0 HB VAL A 2 3.878 -2.125 -5.268 1.00 0.00 H new ATOM 0 HG11 VAL A 2 6.148 -2.765 -4.559 1.00 0.00 H new ATOM 0 HG12 VAL A 2 5.327 -1.758 -3.343 1.00 0.00 H new ATOM 0 HG13 VAL A 2 5.474 -3.514 -3.093 1.00 0.00 H new ATOM 0 HG21 VAL A 2 4.846 -4.261 -6.034 1.00 0.00 H new ATOM 0 HG22 VAL A 2 4.089 -5.091 -4.653 1.00 0.00 H new ATOM 0 HG23 VAL A 2 3.073 -4.340 -5.907 1.00 0.00 H new ATOM 29 N THR A 3 2.330 -5.204 -2.982 1.00 0.00 N ATOM 30 CA THR A 3 2.311 -6.388 -2.151 1.00 0.00 C ATOM 31 C THR A 3 3.635 -7.118 -2.236 1.00 0.00 C ATOM 32 O THR A 3 4.031 -7.572 -3.297 1.00 0.00 O ATOM 33 CB THR A 3 1.116 -7.225 -2.546 1.00 0.00 C ATOM 34 OG1 THR A 3 0.116 -6.960 -1.582 1.00 0.00 O ATOM 35 CG2 THR A 3 1.394 -8.701 -2.543 1.00 0.00 C ATOM 0 H THR A 3 1.918 -5.339 -3.905 1.00 0.00 H new ATOM 0 HA THR A 3 2.197 -6.131 -1.098 1.00 0.00 H new ATOM 0 HB THR A 3 0.827 -6.965 -3.564 1.00 0.00 H new ATOM 0 HG1 THR A 3 -0.688 -7.480 -1.793 1.00 0.00 H new ATOM 0 HG21 THR A 3 0.494 -9.241 -2.836 1.00 0.00 H new ATOM 0 HG22 THR A 3 2.195 -8.922 -3.248 1.00 0.00 H new ATOM 0 HG23 THR A 3 1.695 -9.013 -1.543 1.00 0.00 H new ATOM 43 N TRP A 4 4.365 -7.175 -1.132 1.00 0.00 N ATOM 44 CA TRP A 4 5.624 -7.884 -1.064 1.00 0.00 C ATOM 45 C TRP A 4 5.383 -9.370 -0.860 1.00 0.00 C ATOM 46 O TRP A 4 4.527 -9.753 -0.087 1.00 0.00 O ATOM 47 CB TRP A 4 6.458 -7.270 0.059 1.00 0.00 C ATOM 48 CG TRP A 4 6.797 -5.829 -0.113 1.00 0.00 C ATOM 49 CD1 TRP A 4 5.919 -4.813 -0.206 1.00 0.00 C ATOM 50 CD2 TRP A 4 8.105 -5.234 -0.232 1.00 0.00 C ATOM 51 NE1 TRP A 4 6.611 -3.631 -0.400 1.00 0.00 N ATOM 52 CE2 TRP A 4 7.967 -3.837 -0.422 1.00 0.00 C ATOM 53 CE3 TRP A 4 9.397 -5.759 -0.254 1.00 0.00 C ATOM 54 CZ2 TRP A 4 9.051 -2.983 -0.649 1.00 0.00 C ATOM 55 CZ3 TRP A 4 10.509 -4.922 -0.419 1.00 0.00 C ATOM 56 CH2 TRP A 4 10.338 -3.540 -0.611 1.00 0.00 C ATOM 0 H TRP A 4 4.095 -6.727 -0.256 1.00 0.00 H new ATOM 0 HA TRP A 4 6.174 -7.786 -2.000 1.00 0.00 H new ATOM 0 HB2 TRP A 4 5.917 -7.389 0.998 1.00 0.00 H new ATOM 0 HB3 TRP A 4 7.385 -7.836 0.151 1.00 0.00 H new ATOM 0 HD1 TRP A 4 4.845 -4.906 -0.140 1.00 0.00 H new ATOM 0 HE1 TRP A 4 6.168 -2.719 -0.513 1.00 0.00 H new ATOM 0 HE3 TRP A 4 9.542 -6.823 -0.143 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 8.903 -1.932 -0.847 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 11.504 -5.342 -0.398 1.00 0.00 H new ATOM 0 HH2 TRP A 4 11.202 -2.903 -0.730 1.00 0.00 H new ATOM 67 N THR A 5 6.144 -10.220 -1.525 1.00 0.00 N ATOM 68 CA THR A 5 5.951 -11.660 -1.397 1.00 0.00 C ATOM 69 C THR A 5 7.281 -12.287 -1.127 1.00 0.00 C ATOM 70 O THR A 5 8.278 -11.924 -1.742 1.00 0.00 O ATOM 71 CB THR A 5 5.256 -12.199 -2.648 1.00 0.00 C ATOM 72 OG1 THR A 5 3.916 -12.294 -2.279 1.00 0.00 O ATOM 73 CG2 THR A 5 5.707 -13.582 -3.106 1.00 0.00 C ATOM 0 H THR A 5 6.897 -9.945 -2.156 1.00 0.00 H new ATOM 0 HA THR A 5 5.297 -11.908 -0.561 1.00 0.00 H new ATOM 0 HB THR A 5 5.482 -11.535 -3.483 1.00 0.00 H new ATOM 0 HG1 THR A 5 3.371 -12.480 -3.072 1.00 0.00 H new ATOM 0 HG21 THR A 5 5.152 -13.868 -3.999 1.00 0.00 H new ATOM 0 HG22 THR A 5 6.773 -13.561 -3.332 1.00 0.00 H new ATOM 0 HG23 THR A 5 5.519 -14.307 -2.314 1.00 0.00 H new ATOM 81 N CYS A 6 7.280 -13.248 -0.215 1.00 0.00 N ATOM 82 CA CYS A 6 8.460 -14.017 0.094 1.00 0.00 C ATOM 83 C CYS A 6 8.153 -15.492 -0.121 1.00 0.00 C ATOM 84 O CYS A 6 8.192 -16.264 0.829 1.00 0.00 O ATOM 85 CB CYS A 6 8.895 -13.687 1.518 1.00 0.00 C ATOM 86 SG CYS A 6 10.460 -12.790 1.534 1.00 0.00 S ATOM 0 H CYS A 6 6.457 -13.511 0.328 1.00 0.00 H new ATOM 0 HA CYS A 6 9.294 -13.768 -0.562 1.00 0.00 H new ATOM 0 HB2 CYS A 6 8.126 -13.089 2.006 1.00 0.00 H new ATOM 0 HB3 CYS A 6 8.995 -14.608 2.093 1.00 0.00 H new ATOM 91 N GLY A 7 7.817 -15.870 -1.360 1.00 0.00 N ATOM 92 CA GLY A 7 7.515 -17.259 -1.720 1.00 0.00 C ATOM 93 C GLY A 7 6.621 -17.942 -0.682 1.00 0.00 C ATOM 94 O GLY A 7 6.994 -18.964 -0.121 1.00 0.00 O ATOM 0 H GLY A 7 7.747 -15.219 -2.142 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.023 -17.282 -2.693 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.446 -17.818 -1.820 1.00 0.00 H new ATOM 98 N GLY A 8 5.498 -17.304 -0.354 1.00 0.00 N ATOM 99 CA GLY A 8 4.582 -17.821 0.650 1.00 0.00 C ATOM 100 C GLY A 8 3.237 -17.135 0.559 1.00 0.00 C ATOM 101 O GLY A 8 2.358 -17.602 -0.154 1.00 0.00 O ATOM 0 H GLY A 8 5.204 -16.423 -0.775 1.00 0.00 H new ATOM 0 HA2 GLY A 8 4.457 -18.895 0.515 1.00 0.00 H new ATOM 0 HA3 GLY A 8 5.004 -17.672 1.644 1.00 0.00 H new ATOM 105 N LEU A 9 3.106 -15.982 1.212 1.00 0.00 N ATOM 106 CA LEU A 9 1.893 -15.180 1.174 1.00 0.00 C ATOM 107 C LEU A 9 2.224 -13.750 0.773 1.00 0.00 C ATOM 108 O LEU A 9 3.383 -13.330 0.766 1.00 0.00 O ATOM 109 CB LEU A 9 1.216 -15.244 2.548 1.00 0.00 C ATOM 110 CG LEU A 9 0.610 -16.635 2.865 1.00 0.00 C ATOM 111 CD1 LEU A 9 1.286 -17.262 4.094 1.00 0.00 C ATOM 112 CD2 LEU A 9 -0.902 -16.520 3.090 1.00 0.00 C ATOM 0 H LEU A 9 3.846 -15.578 1.786 1.00 0.00 H new ATOM 0 HA LEU A 9 1.202 -15.573 0.428 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.945 -14.988 3.317 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.428 -14.492 2.593 1.00 0.00 H new ATOM 0 HG LEU A 9 0.789 -17.286 2.009 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.843 -18.237 4.295 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.352 -17.381 3.902 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.143 -16.613 4.958 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.313 -17.505 3.312 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.095 -15.850 3.927 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.374 -16.124 2.191 1.00 0.00 H new ATOM 124 N LEU A 10 1.193 -13.016 0.385 1.00 0.00 N ATOM 125 CA LEU A 10 1.335 -11.654 -0.085 1.00 0.00 C ATOM 126 C LEU A 10 1.250 -10.723 1.118 1.00 0.00 C ATOM 127 O LEU A 10 0.275 -10.733 1.858 1.00 0.00 O ATOM 128 CB LEU A 10 0.223 -11.343 -1.099 1.00 0.00 C ATOM 129 CG LEU A 10 0.551 -11.792 -2.549 1.00 0.00 C ATOM 130 CD1 LEU A 10 0.828 -13.298 -2.620 1.00 0.00 C ATOM 131 CD2 LEU A 10 -0.612 -11.424 -3.484 1.00 0.00 C ATOM 0 H LEU A 10 0.230 -13.354 0.389 1.00 0.00 H new ATOM 0 HA LEU A 10 2.295 -11.515 -0.582 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -0.696 -11.832 -0.777 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.031 -10.270 -1.096 1.00 0.00 H new ATOM 0 HG LEU A 10 1.454 -11.272 -2.869 1.00 0.00 H new ATOM 0 HD11 LEU A 10 1.054 -13.578 -3.649 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.678 -13.542 -1.982 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -0.050 -13.846 -2.279 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.377 -11.741 -4.500 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.521 -11.924 -3.149 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -0.765 -10.345 -3.467 1.00 0.00 H new ATOM 143 N TYR A 11 2.251 -9.874 1.274 1.00 0.00 N ATOM 144 CA TYR A 11 2.458 -8.975 2.392 1.00 0.00 C ATOM 145 C TYR A 11 2.260 -7.556 1.912 1.00 0.00 C ATOM 146 O TYR A 11 3.184 -6.897 1.424 1.00 0.00 O ATOM 147 CB TYR A 11 3.861 -9.168 2.969 1.00 0.00 C ATOM 148 CG TYR A 11 4.098 -10.524 3.591 1.00 0.00 C ATOM 149 CD1 TYR A 11 3.415 -10.865 4.773 1.00 0.00 C ATOM 150 CD2 TYR A 11 4.986 -11.441 2.988 1.00 0.00 C ATOM 151 CE1 TYR A 11 3.605 -12.138 5.348 1.00 0.00 C ATOM 152 CE2 TYR A 11 5.149 -12.727 3.556 1.00 0.00 C ATOM 153 CZ TYR A 11 4.425 -13.085 4.715 1.00 0.00 C ATOM 154 OH TYR A 11 4.616 -14.285 5.316 1.00 0.00 O ATOM 0 H TYR A 11 2.989 -9.790 0.575 1.00 0.00 H new ATOM 0 HA TYR A 11 1.741 -9.190 3.185 1.00 0.00 H new ATOM 0 HB2 TYR A 11 4.592 -9.013 2.175 1.00 0.00 H new ATOM 0 HB3 TYR A 11 4.040 -8.400 3.722 1.00 0.00 H new ATOM 0 HD1 TYR A 11 2.748 -10.154 5.238 1.00 0.00 H new ATOM 0 HD2 TYR A 11 5.536 -11.164 2.101 1.00 0.00 H new ATOM 0 HE1 TYR A 11 3.118 -12.386 6.279 1.00 0.00 H new ATOM 0 HE2 TYR A 11 5.827 -13.435 3.103 1.00 0.00 H new ATOM 0 HH TYR A 11 5.205 -14.838 4.762 1.00 0.00 H new ATOM 164 N ASN A 12 1.021 -7.086 1.995 1.00 0.00 N ATOM 165 CA ASN A 12 0.735 -5.742 1.578 1.00 0.00 C ATOM 166 C ASN A 12 1.656 -4.809 2.327 1.00 0.00 C ATOM 167 O ASN A 12 1.622 -4.806 3.554 1.00 0.00 O ATOM 168 CB ASN A 12 -0.736 -5.387 1.846 1.00 0.00 C ATOM 169 CG ASN A 12 -1.254 -4.427 0.798 1.00 0.00 C ATOM 170 OD1 ASN A 12 -2.416 -4.458 0.458 1.00 0.00 O ATOM 171 ND2 ASN A 12 -0.437 -3.483 0.374 1.00 0.00 N ATOM 0 H ASN A 12 0.220 -7.613 2.342 1.00 0.00 H new ATOM 0 HA ASN A 12 0.900 -5.645 0.505 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -1.340 -6.294 1.845 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -0.833 -4.940 2.835 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -0.780 -2.757 -0.255 1.00 0.00 H new ATOM 0 HD22 ASN A 12 0.538 -3.479 0.675 1.00 0.00 H new ATOM 178 N GLN A 13 2.403 -3.973 1.599 1.00 0.00 N ATOM 179 CA GLN A 13 3.249 -3.012 2.279 1.00 0.00 C ATOM 180 C GLN A 13 2.480 -2.055 3.150 1.00 0.00 C ATOM 181 O GLN A 13 3.007 -1.578 4.133 1.00 0.00 O ATOM 182 CB GLN A 13 4.067 -2.197 1.279 1.00 0.00 C ATOM 183 CG GLN A 13 5.202 -1.363 1.906 1.00 0.00 C ATOM 184 CD GLN A 13 5.919 -2.193 2.953 1.00 0.00 C ATOM 185 OE1 GLN A 13 6.180 -1.786 4.061 1.00 0.00 O ATOM 186 NE2 GLN A 13 6.159 -3.446 2.642 1.00 0.00 N ATOM 0 H GLN A 13 2.435 -3.946 0.580 1.00 0.00 H new ATOM 0 HA GLN A 13 3.904 -3.605 2.917 1.00 0.00 H new ATOM 0 HB2 GLN A 13 4.497 -2.876 0.543 1.00 0.00 H new ATOM 0 HB3 GLN A 13 3.396 -1.527 0.741 1.00 0.00 H new ATOM 0 HG2 GLN A 13 5.904 -1.046 1.135 1.00 0.00 H new ATOM 0 HG3 GLN A 13 4.796 -0.459 2.359 1.00 0.00 H new ATOM 0 HE21 GLN A 13 5.939 -3.791 1.707 1.00 0.00 H new ATOM 0 HE22 GLN A 13 6.565 -4.075 3.335 1.00 0.00 H new ATOM 195 N ASN A 14 1.195 -1.900 2.863 1.00 0.00 N ATOM 196 CA ASN A 14 0.319 -1.137 3.712 1.00 0.00 C ATOM 197 C ASN A 14 0.118 -1.725 5.101 1.00 0.00 C ATOM 198 O ASN A 14 -0.331 -1.016 5.981 1.00 0.00 O ATOM 199 CB ASN A 14 -1.068 -1.068 3.050 1.00 0.00 C ATOM 200 CG ASN A 14 -1.545 0.358 2.907 1.00 0.00 C ATOM 201 OD1 ASN A 14 -0.769 1.276 2.756 1.00 0.00 O ATOM 202 ND2 ASN A 14 -2.834 0.544 2.816 1.00 0.00 N ATOM 0 H ASN A 14 0.743 -2.299 2.041 1.00 0.00 H new ATOM 0 HA ASN A 14 0.794 -0.163 3.832 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -1.027 -1.539 2.068 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -1.785 -1.634 3.645 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -3.202 1.474 2.615 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -3.473 -0.240 2.946 1.00 0.00 H new ATOM 209 N LYS A 15 0.326 -3.028 5.261 1.00 0.00 N ATOM 210 CA LYS A 15 0.286 -3.760 6.511 1.00 0.00 C ATOM 211 C LYS A 15 1.697 -4.067 6.971 1.00 0.00 C ATOM 212 O LYS A 15 1.932 -3.901 8.138 1.00 0.00 O ATOM 213 CB LYS A 15 -0.527 -5.040 6.333 1.00 0.00 C ATOM 214 CG LYS A 15 -2.005 -4.733 6.605 1.00 0.00 C ATOM 215 CD LYS A 15 -2.907 -5.413 5.567 1.00 0.00 C ATOM 216 CE LYS A 15 -3.378 -4.397 4.522 1.00 0.00 C ATOM 217 NZ LYS A 15 -4.362 -5.018 3.606 1.00 0.00 N ATOM 0 H LYS A 15 0.540 -3.634 4.469 1.00 0.00 H new ATOM 0 HA LYS A 15 -0.197 -3.153 7.277 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -0.403 -5.428 5.322 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -0.170 -5.811 7.016 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -2.273 -5.075 7.605 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -2.167 -3.655 6.582 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -2.364 -6.222 5.078 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.769 -5.861 6.062 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -3.826 -3.536 5.018 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -2.524 -4.028 3.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -4.672 -4.317 2.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -3.922 -5.825 3.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -5.184 -5.348 4.151 1.00 0.00 H new ATOM 231 N ALA A 16 2.651 -4.367 6.107 1.00 0.00 N ATOM 232 CA ALA A 16 4.017 -4.602 6.529 1.00 0.00 C ATOM 233 C ALA A 16 4.564 -3.436 7.349 1.00 0.00 C ATOM 234 O ALA A 16 5.142 -3.631 8.410 1.00 0.00 O ATOM 235 CB ALA A 16 4.855 -4.872 5.298 1.00 0.00 C ATOM 0 H ALA A 16 2.501 -4.454 5.102 1.00 0.00 H new ATOM 0 HA ALA A 16 4.053 -5.470 7.188 1.00 0.00 H new ATOM 0 HB1 ALA A 16 5.889 -5.052 5.594 1.00 0.00 H new ATOM 0 HB2 ALA A 16 4.468 -5.749 4.780 1.00 0.00 H new ATOM 0 HB3 ALA A 16 4.813 -4.010 4.633 1.00 0.00 H new ATOM 241 N GLU A 17 4.276 -2.216 6.901 1.00 0.00 N ATOM 242 CA GLU A 17 4.672 -1.027 7.606 1.00 0.00 C ATOM 243 C GLU A 17 3.642 -0.728 8.677 1.00 0.00 C ATOM 244 O GLU A 17 4.047 -0.470 9.788 1.00 0.00 O ATOM 245 CB GLU A 17 4.851 0.153 6.647 1.00 0.00 C ATOM 246 CG GLU A 17 3.519 0.741 6.181 1.00 0.00 C ATOM 247 CD GLU A 17 3.694 1.783 5.093 1.00 0.00 C ATOM 248 OE1 GLU A 17 3.811 1.409 3.900 1.00 0.00 O ATOM 249 OE2 GLU A 17 3.659 2.959 5.529 1.00 0.00 O ATOM 0 H GLU A 17 3.761 -2.038 6.039 1.00 0.00 H new ATOM 0 HA GLU A 17 5.640 -1.190 8.080 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.435 0.931 7.139 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.423 -0.173 5.779 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.880 -0.062 5.812 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.006 1.191 7.031 1.00 0.00 H new ATOM 256 N SER A 18 2.335 -0.748 8.383 1.00 0.00 N ATOM 257 CA SER A 18 1.279 -0.319 9.293 1.00 0.00 C ATOM 258 C SER A 18 1.214 -1.258 10.465 1.00 0.00 C ATOM 259 O SER A 18 1.360 -0.798 11.577 1.00 0.00 O ATOM 260 CB SER A 18 -0.084 -0.362 8.651 1.00 0.00 C ATOM 261 OG SER A 18 -1.122 -0.095 9.579 1.00 0.00 O ATOM 0 H SER A 18 1.980 -1.072 7.483 1.00 0.00 H new ATOM 0 HA SER A 18 1.520 0.703 9.585 1.00 0.00 H new ATOM 0 HB2 SER A 18 -0.126 0.367 7.842 1.00 0.00 H new ATOM 0 HB3 SER A 18 -0.242 -1.343 8.204 1.00 0.00 H new ATOM 0 HG SER A 18 -1.988 -0.131 9.121 1.00 0.00 H new ATOM 267 N ASN A 19 1.103 -2.562 10.241 1.00 0.00 N ATOM 268 CA ASN A 19 1.247 -3.573 11.266 1.00 0.00 C ATOM 269 C ASN A 19 2.411 -3.312 12.214 1.00 0.00 C ATOM 270 O ASN A 19 2.245 -3.484 13.417 1.00 0.00 O ATOM 271 CB ASN A 19 1.399 -4.962 10.672 1.00 0.00 C ATOM 272 CG ASN A 19 1.039 -6.031 11.664 1.00 0.00 C ATOM 273 OD1 ASN A 19 1.790 -6.906 12.014 1.00 0.00 O ATOM 274 ND2 ASN A 19 -0.181 -6.018 12.109 1.00 0.00 N ATOM 0 H ASN A 19 0.906 -2.948 9.318 1.00 0.00 H new ATOM 0 HA ASN A 19 0.324 -3.519 11.843 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.763 -5.053 9.791 1.00 0.00 H new ATOM 0 HB3 ASN A 19 2.427 -5.105 10.339 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -0.498 -6.745 12.750 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -0.822 -5.281 11.817 1.00 0.00 H new ATOM 281 N SER A 20 3.508 -2.779 11.671 1.00 0.00 N ATOM 282 CA SER A 20 4.641 -2.325 12.449 1.00 0.00 C ATOM 283 C SER A 20 4.508 -0.934 13.051 1.00 0.00 C ATOM 284 O SER A 20 5.025 -0.711 14.133 1.00 0.00 O ATOM 285 CB SER A 20 5.899 -2.318 11.593 1.00 0.00 C ATOM 286 OG SER A 20 6.532 -1.042 11.472 1.00 0.00 O ATOM 0 H SER A 20 3.626 -2.653 10.666 1.00 0.00 H new ATOM 0 HA SER A 20 4.692 -3.035 13.275 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.614 -3.024 12.016 1.00 0.00 H new ATOM 0 HB3 SER A 20 5.646 -2.679 10.596 1.00 0.00 H new ATOM 0 HG SER A 20 5.987 -0.459 10.904 1.00 0.00 H new ATOM 292 N HIS A 21 3.838 0.012 12.386 1.00 0.00 N ATOM 293 CA HIS A 21 3.587 1.371 12.836 1.00 0.00 C ATOM 294 C HIS A 21 3.110 1.359 14.279 1.00 0.00 C ATOM 295 O HIS A 21 3.478 2.249 15.037 1.00 0.00 O ATOM 296 CB HIS A 21 2.558 2.082 11.929 1.00 0.00 C ATOM 297 CG HIS A 21 3.116 2.689 10.664 1.00 0.00 C ATOM 298 ND1 HIS A 21 2.501 3.711 9.970 1.00 0.00 N ATOM 299 CD2 HIS A 21 4.281 2.363 10.019 1.00 0.00 C ATOM 300 CE1 HIS A 21 3.287 3.997 8.910 1.00 0.00 C ATOM 301 NE2 HIS A 21 4.374 3.190 8.918 1.00 0.00 N ATOM 0 H HIS A 21 3.436 -0.168 11.466 1.00 0.00 H new ATOM 0 HA HIS A 21 4.521 1.930 12.775 1.00 0.00 H new ATOM 0 HB2 HIS A 21 1.784 1.365 11.656 1.00 0.00 H new ATOM 0 HB3 HIS A 21 2.074 2.870 12.506 1.00 0.00 H new ATOM 0 HD2 HIS A 21 4.990 1.604 10.316 1.00 0.00 H new ATOM 0 HE1 HIS A 21 3.080 4.754 8.168 1.00 0.00 H new ATOM 0 HE2 HIS A 21 5.128 3.193 8.232 1.00 0.00 H new ATOM 310 N HIS A 22 2.309 0.357 14.644 1.00 0.00 N ATOM 311 CA HIS A 22 1.847 0.136 15.987 1.00 0.00 C ATOM 312 C HIS A 22 2.936 -0.395 16.901 1.00 0.00 C ATOM 313 O HIS A 22 3.110 0.177 17.968 1.00 0.00 O ATOM 314 CB HIS A 22 0.643 -0.809 15.992 1.00 0.00 C ATOM 315 CG HIS A 22 -0.065 -0.997 14.674 1.00 0.00 C ATOM 316 ND1 HIS A 22 -0.477 -2.214 14.214 1.00 0.00 N ATOM 317 CD2 HIS A 22 -0.385 -0.055 13.735 1.00 0.00 C ATOM 318 CE1 HIS A 22 -1.109 -2.019 13.047 1.00 0.00 C ATOM 319 NE2 HIS A 22 -1.063 -0.706 12.722 1.00 0.00 N ATOM 0 H HIS A 22 1.961 -0.337 13.982 1.00 0.00 H new ATOM 0 HA HIS A 22 1.546 1.107 16.380 1.00 0.00 H new ATOM 0 HB2 HIS A 22 0.976 -1.785 16.344 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -0.080 -0.438 16.719 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -0.330 -3.112 14.675 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -0.152 0.999 13.777 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -1.582 -2.791 12.458 1.00 0.00 H new ATOM 328 N ALA A 23 3.651 -1.431 16.450 1.00 0.00 N ATOM 329 CA ALA A 23 4.811 -1.983 17.104 1.00 0.00 C ATOM 330 C ALA A 23 5.679 -0.894 17.771 1.00 0.00 C ATOM 331 O ALA A 23 6.031 0.112 17.140 1.00 0.00 O ATOM 332 CB ALA A 23 5.650 -2.809 16.135 1.00 0.00 C ATOM 0 H ALA A 23 3.417 -1.917 15.584 1.00 0.00 H new ATOM 0 HA ALA A 23 4.442 -2.639 17.893 1.00 0.00 H new ATOM 0 HB1 ALA A 23 6.518 -3.212 16.657 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.050 -3.629 15.742 1.00 0.00 H new ATOM 0 HB3 ALA A 23 5.983 -2.177 15.312 1.00 0.00 H new ATOM 338 N PRO A 24 6.009 -1.070 19.056 1.00 0.00 N ATOM 339 CA PRO A 24 6.741 -0.073 19.801 1.00 0.00 C ATOM 340 C PRO A 24 8.176 -0.107 19.322 1.00 0.00 C ATOM 341 O PRO A 24 8.798 -1.168 19.320 1.00 0.00 O ATOM 342 CB PRO A 24 6.607 -0.456 21.266 1.00 0.00 C ATOM 343 CG PRO A 24 6.126 -1.903 21.270 1.00 0.00 C ATOM 344 CD PRO A 24 5.691 -2.236 19.857 1.00 0.00 C ATOM 0 HA PRO A 24 6.369 0.942 19.663 1.00 0.00 H new ATOM 0 HB2 PRO A 24 7.560 -0.359 21.785 1.00 0.00 H new ATOM 0 HB3 PRO A 24 5.897 0.194 21.778 1.00 0.00 H new ATOM 0 HG2 PRO A 24 6.923 -2.572 21.595 1.00 0.00 H new ATOM 0 HG3 PRO A 24 5.298 -2.031 21.967 1.00 0.00 H new ATOM 0 HD2 PRO A 24 6.212 -3.118 19.486 1.00 0.00 H new ATOM 0 HD3 PRO A 24 4.624 -2.457 19.819 1.00 0.00 H new ATOM 352 N LEU A 25 8.694 1.054 18.907 1.00 0.00 N ATOM 353 CA LEU A 25 10.063 1.230 18.452 1.00 0.00 C ATOM 354 C LEU A 25 11.067 0.910 19.542 1.00 0.00 C ATOM 355 O LEU A 25 11.449 1.790 20.308 1.00 0.00 O ATOM 356 CB LEU A 25 10.250 2.658 17.897 1.00 0.00 C ATOM 357 CG LEU A 25 11.002 2.716 16.572 1.00 0.00 C ATOM 358 CD1 LEU A 25 10.497 1.663 15.612 1.00 0.00 C ATOM 359 CD2 LEU A 25 10.843 4.116 15.982 1.00 0.00 C ATOM 0 H LEU A 25 8.151 1.917 18.881 1.00 0.00 H new ATOM 0 HA LEU A 25 10.253 0.520 17.647 1.00 0.00 H new ATOM 0 HB2 LEU A 25 9.270 3.117 17.767 1.00 0.00 H new ATOM 0 HB3 LEU A 25 10.787 3.256 18.634 1.00 0.00 H new ATOM 0 HG LEU A 25 12.058 2.510 16.745 1.00 0.00 H new ATOM 0 HD11 LEU A 25 11.051 1.728 14.676 1.00 0.00 H new ATOM 0 HD12 LEU A 25 10.638 0.675 16.049 1.00 0.00 H new ATOM 0 HD13 LEU A 25 9.437 1.826 15.418 1.00 0.00 H new ATOM 0 HD21 LEU A 25 11.376 4.174 15.033 1.00 0.00 H new ATOM 0 HD22 LEU A 25 9.786 4.324 15.818 1.00 0.00 H new ATOM 0 HD23 LEU A 25 11.254 4.851 16.674 1.00 0.00 H new ATOM 371 N SER A 26 11.397 -0.367 19.664 1.00 0.00 N ATOM 372 CA SER A 26 12.226 -0.894 20.726 1.00 0.00 C ATOM 373 C SER A 26 12.513 -2.368 20.481 1.00 0.00 C ATOM 374 O SER A 26 11.752 -3.061 19.809 1.00 0.00 O ATOM 375 CB SER A 26 11.551 -0.709 22.117 1.00 0.00 C ATOM 376 OG SER A 26 11.874 0.490 22.825 1.00 0.00 O ATOM 0 H SER A 26 11.084 -1.081 19.006 1.00 0.00 H new ATOM 0 HA SER A 26 13.163 -0.337 20.728 1.00 0.00 H new ATOM 0 HB2 SER A 26 10.470 -0.744 21.980 1.00 0.00 H new ATOM 0 HB3 SER A 26 11.821 -1.559 22.744 1.00 0.00 H new ATOM 0 HG SER A 26 11.830 1.254 22.212 1.00 0.00 H new ATOM 382 N ASP A 27 13.617 -2.849 21.034 1.00 0.00 N ATOM 383 CA ASP A 27 13.961 -4.266 20.966 1.00 0.00 C ATOM 384 C ASP A 27 13.521 -4.982 22.212 1.00 0.00 C ATOM 385 O ASP A 27 13.740 -4.438 23.284 1.00 0.00 O ATOM 386 CB ASP A 27 15.462 -4.421 20.822 1.00 0.00 C ATOM 387 CG ASP A 27 16.072 -5.690 21.422 1.00 0.00 C ATOM 388 OD1 ASP A 27 16.012 -6.714 20.704 1.00 0.00 O ATOM 389 OD2 ASP A 27 16.688 -5.616 22.503 1.00 0.00 O ATOM 0 H ASP A 27 14.295 -2.277 21.538 1.00 0.00 H new ATOM 0 HA ASP A 27 13.452 -4.698 20.105 1.00 0.00 H new ATOM 0 HB2 ASP A 27 15.709 -4.391 19.761 1.00 0.00 H new ATOM 0 HB3 ASP A 27 15.941 -3.559 21.285 1.00 0.00 H new ATOM 394 N GLY A 28 12.948 -6.182 22.063 1.00 0.00 N ATOM 395 CA GLY A 28 12.523 -7.031 23.175 1.00 0.00 C ATOM 396 C GLY A 28 11.948 -6.215 24.325 1.00 0.00 C ATOM 397 O GLY A 28 12.544 -6.083 25.391 1.00 0.00 O ATOM 0 H GLY A 28 12.765 -6.595 21.149 1.00 0.00 H new ATOM 0 HA2 GLY A 28 11.774 -7.741 22.824 1.00 0.00 H new ATOM 0 HA3 GLY A 28 13.372 -7.613 23.532 1.00 0.00 H new ATOM 401 N LYS A 29 10.765 -5.655 24.095 1.00 0.00 N ATOM 402 CA LYS A 29 10.089 -4.816 25.078 1.00 0.00 C ATOM 403 C LYS A 29 8.587 -4.924 24.970 1.00 0.00 C ATOM 404 O LYS A 29 7.842 -4.027 25.350 1.00 0.00 O ATOM 405 CB LYS A 29 10.610 -3.371 24.973 1.00 0.00 C ATOM 406 CG LYS A 29 11.674 -3.109 26.053 1.00 0.00 C ATOM 407 CD LYS A 29 11.609 -1.667 26.566 1.00 0.00 C ATOM 408 CE LYS A 29 11.738 -1.633 28.093 1.00 0.00 C ATOM 409 NZ LYS A 29 12.415 -0.393 28.524 1.00 0.00 N ATOM 0 H LYS A 29 10.248 -5.770 23.223 1.00 0.00 H new ATOM 0 HA LYS A 29 10.326 -5.175 26.079 1.00 0.00 H new ATOM 0 HB2 LYS A 29 11.036 -3.201 23.984 1.00 0.00 H new ATOM 0 HB3 LYS A 29 9.784 -2.670 25.089 1.00 0.00 H new ATOM 0 HG2 LYS A 29 11.528 -3.799 26.884 1.00 0.00 H new ATOM 0 HG3 LYS A 29 12.665 -3.307 25.645 1.00 0.00 H new ATOM 0 HD2 LYS A 29 12.408 -1.078 26.115 1.00 0.00 H new ATOM 0 HD3 LYS A 29 10.666 -1.210 26.265 1.00 0.00 H new ATOM 0 HE2 LYS A 29 10.750 -1.693 28.549 1.00 0.00 H new ATOM 0 HE3 LYS A 29 12.301 -2.501 28.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 12.495 -0.384 29.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 13.365 -0.352 28.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 11.862 0.431 28.212 1.00 0.00 H new ATOM 423 N THR A 30 8.129 -6.034 24.429 1.00 0.00 N ATOM 424 CA THR A 30 6.714 -6.249 24.178 1.00 0.00 C ATOM 425 C THR A 30 6.331 -7.592 24.742 1.00 0.00 C ATOM 426 O THR A 30 7.194 -8.467 24.844 1.00 0.00 O ATOM 427 CB THR A 30 6.477 -6.202 22.675 1.00 0.00 C ATOM 428 OG1 THR A 30 7.162 -7.316 22.204 1.00 0.00 O ATOM 429 CG2 THR A 30 7.024 -4.940 22.010 1.00 0.00 C ATOM 0 H THR A 30 8.725 -6.814 24.150 1.00 0.00 H new ATOM 0 HA THR A 30 6.105 -5.480 24.653 1.00 0.00 H new ATOM 0 HB THR A 30 5.411 -6.195 22.449 1.00 0.00 H new ATOM 0 HG1 THR A 30 8.098 -7.078 22.038 1.00 0.00 H new ATOM 0 HG21 THR A 30 6.819 -4.975 20.940 1.00 0.00 H new ATOM 0 HG22 THR A 30 6.543 -4.063 22.443 1.00 0.00 H new ATOM 0 HG23 THR A 30 8.100 -4.881 22.172 1.00 0.00 H new ATOM 437 N GLY A 31 5.067 -7.736 25.137 1.00 0.00 N ATOM 438 CA GLY A 31 4.546 -8.950 25.752 1.00 0.00 C ATOM 439 C GLY A 31 5.068 -10.203 25.101 1.00 0.00 C ATOM 440 O GLY A 31 5.752 -10.998 25.737 1.00 0.00 O ATOM 0 H GLY A 31 4.368 -7.000 25.036 1.00 0.00 H new ATOM 0 HA2 GLY A 31 4.810 -8.958 26.810 1.00 0.00 H new ATOM 0 HA3 GLY A 31 3.458 -8.943 25.695 1.00 0.00 H new ATOM 444 N SER A 32 4.696 -10.383 23.841 1.00 0.00 N ATOM 445 CA SER A 32 5.212 -11.473 23.070 1.00 0.00 C ATOM 446 C SER A 32 6.708 -11.427 22.932 1.00 0.00 C ATOM 447 O SER A 32 7.309 -12.430 23.300 1.00 0.00 O ATOM 448 CB SER A 32 4.600 -11.500 21.683 1.00 0.00 C ATOM 449 OG SER A 32 5.220 -12.555 20.982 1.00 0.00 O ATOM 0 H SER A 32 4.039 -9.782 23.344 1.00 0.00 H new ATOM 0 HA SER A 32 4.942 -12.377 23.616 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.522 -11.655 21.739 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.760 -10.551 21.172 1.00 0.00 H new ATOM 0 HG SER A 32 5.031 -12.467 20.024 1.00 0.00 H new ATOM 455 N SER A 33 7.257 -10.360 22.323 1.00 0.00 N ATOM 456 CA SER A 33 8.697 -10.100 22.153 1.00 0.00 C ATOM 457 C SER A 33 8.962 -9.087 21.058 1.00 0.00 C ATOM 458 O SER A 33 9.626 -8.083 21.296 1.00 0.00 O ATOM 459 CB SER A 33 9.475 -11.356 21.759 1.00 0.00 C ATOM 460 OG SER A 33 10.104 -11.984 22.850 1.00 0.00 O ATOM 0 H SER A 33 6.681 -9.622 21.918 1.00 0.00 H new ATOM 0 HA SER A 33 9.027 -9.730 23.124 1.00 0.00 H new ATOM 0 HB2 SER A 33 8.795 -12.063 21.284 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.228 -11.091 21.017 1.00 0.00 H new ATOM 0 HG SER A 33 9.425 -12.381 23.435 1.00 0.00 H new ATOM 466 N TYR A 34 8.413 -9.353 19.877 1.00 0.00 N ATOM 467 CA TYR A 34 8.512 -8.480 18.739 1.00 0.00 C ATOM 468 C TYR A 34 7.845 -7.096 18.924 1.00 0.00 C ATOM 469 O TYR A 34 6.764 -7.020 19.493 1.00 0.00 O ATOM 470 CB TYR A 34 7.870 -9.169 17.558 1.00 0.00 C ATOM 471 CG TYR A 34 8.437 -10.547 17.279 1.00 0.00 C ATOM 472 CD1 TYR A 34 7.865 -11.677 17.894 1.00 0.00 C ATOM 473 CD2 TYR A 34 9.483 -10.718 16.356 1.00 0.00 C ATOM 474 CE1 TYR A 34 8.385 -12.963 17.630 1.00 0.00 C ATOM 475 CE2 TYR A 34 9.969 -12.010 16.060 1.00 0.00 C ATOM 476 CZ TYR A 34 9.443 -13.122 16.719 1.00 0.00 C ATOM 477 OH TYR A 34 9.985 -14.331 16.465 1.00 0.00 O ATOM 0 H TYR A 34 7.878 -10.202 19.693 1.00 0.00 H new ATOM 0 HA TYR A 34 9.574 -8.286 18.591 1.00 0.00 H new ATOM 0 HB2 TYR A 34 6.798 -9.255 17.737 1.00 0.00 H new ATOM 0 HB3 TYR A 34 7.996 -8.547 16.672 1.00 0.00 H new ATOM 0 HD1 TYR A 34 7.029 -11.560 18.567 1.00 0.00 H new ATOM 0 HD2 TYR A 34 9.917 -9.856 15.871 1.00 0.00 H new ATOM 0 HE1 TYR A 34 7.969 -13.826 18.129 1.00 0.00 H new ATOM 0 HE2 TYR A 34 10.748 -12.138 15.323 1.00 0.00 H new ATOM 0 HH TYR A 34 10.704 -14.235 15.806 1.00 0.00 H new ATOM 487 N PRO A 35 8.402 -6.041 18.311 1.00 0.00 N ATOM 488 CA PRO A 35 9.580 -6.134 17.478 1.00 0.00 C ATOM 489 C PRO A 35 10.831 -6.302 18.326 1.00 0.00 C ATOM 490 O PRO A 35 10.836 -6.221 19.551 1.00 0.00 O ATOM 491 CB PRO A 35 9.628 -4.874 16.657 1.00 0.00 C ATOM 492 CG PRO A 35 8.734 -3.885 17.403 1.00 0.00 C ATOM 493 CD PRO A 35 7.917 -4.682 18.419 1.00 0.00 C ATOM 0 HA PRO A 35 9.536 -7.008 16.828 1.00 0.00 H new ATOM 0 HB2 PRO A 35 10.647 -4.498 16.570 1.00 0.00 H new ATOM 0 HB3 PRO A 35 9.265 -5.048 15.644 1.00 0.00 H new ATOM 0 HG2 PRO A 35 9.336 -3.127 17.905 1.00 0.00 H new ATOM 0 HG3 PRO A 35 8.077 -3.362 16.708 1.00 0.00 H new ATOM 0 HD2 PRO A 35 8.055 -4.293 19.428 1.00 0.00 H new ATOM 0 HD3 PRO A 35 6.851 -4.625 18.199 1.00 0.00 H new ATOM 501 N HIS A 36 11.910 -6.675 17.669 1.00 0.00 N ATOM 502 CA HIS A 36 13.182 -6.949 18.323 1.00 0.00 C ATOM 503 C HIS A 36 14.310 -6.400 17.497 1.00 0.00 C ATOM 504 O HIS A 36 14.042 -5.854 16.443 1.00 0.00 O ATOM 505 CB HIS A 36 13.356 -8.426 18.657 1.00 0.00 C ATOM 506 CG HIS A 36 13.207 -9.379 17.510 1.00 0.00 C ATOM 507 ND1 HIS A 36 14.046 -10.443 17.271 1.00 0.00 N ATOM 508 CD2 HIS A 36 12.219 -9.399 16.578 1.00 0.00 C ATOM 509 CE1 HIS A 36 13.561 -11.121 16.215 1.00 0.00 C ATOM 510 NE2 HIS A 36 12.445 -10.498 15.800 1.00 0.00 N ATOM 0 H HIS A 36 11.933 -6.799 16.657 1.00 0.00 H new ATOM 0 HA HIS A 36 13.192 -6.437 19.285 1.00 0.00 H new ATOM 0 HB2 HIS A 36 14.345 -8.566 19.094 1.00 0.00 H new ATOM 0 HB3 HIS A 36 12.628 -8.693 19.423 1.00 0.00 H new ATOM 0 HD2 HIS A 36 11.414 -8.687 16.473 1.00 0.00 H new ATOM 0 HE1 HIS A 36 13.993 -12.009 15.778 1.00 0.00 H new ATOM 0 HE2 HIS A 36 11.857 -10.800 15.023 1.00 0.00 H new ATOM 519 N TRP A 37 15.532 -6.417 18.001 1.00 0.00 N ATOM 520 CA TRP A 37 16.675 -5.956 17.235 1.00 0.00 C ATOM 521 C TRP A 37 16.969 -6.967 16.134 1.00 0.00 C ATOM 522 O TRP A 37 16.959 -8.179 16.345 1.00 0.00 O ATOM 523 CB TRP A 37 17.875 -5.779 18.168 1.00 0.00 C ATOM 524 CG TRP A 37 19.179 -5.547 17.482 1.00 0.00 C ATOM 525 CD1 TRP A 37 19.437 -4.622 16.540 1.00 0.00 C ATOM 526 CD2 TRP A 37 20.415 -6.252 17.686 1.00 0.00 C ATOM 527 NE1 TRP A 37 20.749 -4.722 16.135 1.00 0.00 N ATOM 528 CE2 TRP A 37 21.405 -5.693 16.839 1.00 0.00 C ATOM 529 CE3 TRP A 37 20.777 -7.317 18.516 1.00 0.00 C ATOM 530 CZ2 TRP A 37 22.725 -6.134 16.818 1.00 0.00 C ATOM 531 CZ3 TRP A 37 22.090 -7.804 18.520 1.00 0.00 C ATOM 532 CH2 TRP A 37 23.037 -7.206 17.669 1.00 0.00 C ATOM 0 H TRP A 37 15.757 -6.746 18.940 1.00 0.00 H new ATOM 0 HA TRP A 37 16.464 -4.992 16.773 1.00 0.00 H new ATOM 0 HB2 TRP A 37 17.677 -4.939 18.834 1.00 0.00 H new ATOM 0 HB3 TRP A 37 17.964 -6.667 18.793 1.00 0.00 H new ATOM 0 HD1 TRP A 37 18.722 -3.908 16.159 1.00 0.00 H new ATOM 0 HE1 TRP A 37 21.175 -4.148 15.407 1.00 0.00 H new ATOM 0 HE3 TRP A 37 20.037 -7.768 19.160 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 23.468 -5.677 16.182 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 22.370 -8.624 19.165 1.00 0.00 H new ATOM 0 HH2 TRP A 37 24.047 -7.588 17.670 1.00 0.00 H new ATOM 543 N PHE A 38 17.336 -6.437 14.980 1.00 0.00 N ATOM 544 CA PHE A 38 17.596 -7.165 13.771 1.00 0.00 C ATOM 545 C PHE A 38 19.016 -6.847 13.405 1.00 0.00 C ATOM 546 O PHE A 38 19.274 -5.963 12.585 1.00 0.00 O ATOM 547 CB PHE A 38 16.654 -6.693 12.668 1.00 0.00 C ATOM 548 CG PHE A 38 16.773 -7.476 11.391 1.00 0.00 C ATOM 549 CD1 PHE A 38 16.439 -8.834 11.397 1.00 0.00 C ATOM 550 CD2 PHE A 38 17.235 -6.871 10.212 1.00 0.00 C ATOM 551 CE1 PHE A 38 16.546 -9.608 10.238 1.00 0.00 C ATOM 552 CE2 PHE A 38 17.318 -7.638 9.037 1.00 0.00 C ATOM 553 CZ PHE A 38 17.006 -8.996 9.063 1.00 0.00 C ATOM 0 H PHE A 38 17.465 -5.432 14.866 1.00 0.00 H new ATOM 0 HA PHE A 38 17.442 -8.236 13.901 1.00 0.00 H new ATOM 0 HB2 PHE A 38 15.627 -6.757 13.028 1.00 0.00 H new ATOM 0 HB3 PHE A 38 16.853 -5.642 12.458 1.00 0.00 H new ATOM 0 HD1 PHE A 38 16.093 -9.292 12.312 1.00 0.00 H new ATOM 0 HD2 PHE A 38 17.523 -5.830 10.208 1.00 0.00 H new ATOM 0 HE1 PHE A 38 16.280 -10.655 10.247 1.00 0.00 H new ATOM 0 HE2 PHE A 38 17.624 -7.174 8.111 1.00 0.00 H new ATOM 0 HZ PHE A 38 17.120 -9.586 8.165 1.00 0.00 H new ATOM 563 N THR A 39 19.940 -7.575 14.028 1.00 0.00 N ATOM 564 CA THR A 39 21.365 -7.520 13.740 1.00 0.00 C ATOM 565 C THR A 39 21.619 -7.418 12.260 1.00 0.00 C ATOM 566 O THR A 39 22.574 -6.779 11.874 1.00 0.00 O ATOM 567 CB THR A 39 22.058 -8.793 14.244 1.00 0.00 C ATOM 568 OG1 THR A 39 21.609 -9.902 13.485 1.00 0.00 O ATOM 569 CG2 THR A 39 21.720 -9.082 15.697 1.00 0.00 C ATOM 0 H THR A 39 19.708 -8.238 14.768 1.00 0.00 H new ATOM 0 HA THR A 39 21.761 -6.638 14.244 1.00 0.00 H new ATOM 0 HB THR A 39 23.132 -8.638 14.144 1.00 0.00 H new ATOM 0 HG1 THR A 39 22.051 -10.717 13.803 1.00 0.00 H new ATOM 0 HG21 THR A 39 22.230 -9.991 16.015 1.00 0.00 H new ATOM 0 HG22 THR A 39 22.044 -8.247 16.319 1.00 0.00 H new ATOM 0 HG23 THR A 39 20.643 -9.215 15.801 1.00 0.00 H new ATOM 577 N ASN A 40 20.757 -7.994 11.416 1.00 0.00 N ATOM 578 CA ASN A 40 20.828 -7.958 9.961 1.00 0.00 C ATOM 579 C ASN A 40 21.999 -8.837 9.484 1.00 0.00 C ATOM 580 O ASN A 40 22.370 -8.873 8.314 1.00 0.00 O ATOM 581 CB ASN A 40 20.920 -6.480 9.486 1.00 0.00 C ATOM 582 CG ASN A 40 20.709 -6.316 7.997 1.00 0.00 C ATOM 583 OD1 ASN A 40 19.607 -6.210 7.521 1.00 0.00 O ATOM 584 ND2 ASN A 40 21.748 -6.388 7.211 1.00 0.00 N ATOM 0 H ASN A 40 19.952 -8.523 11.751 1.00 0.00 H new ATOM 0 HA ASN A 40 19.926 -8.373 9.512 1.00 0.00 H new ATOM 0 HB2 ASN A 40 20.176 -5.887 10.019 1.00 0.00 H new ATOM 0 HB3 ASN A 40 21.898 -6.080 9.754 1.00 0.00 H new ATOM 0 HD21 ASN A 40 21.625 -6.354 6.199 1.00 0.00 H new ATOM 0 HD22 ASN A 40 22.683 -6.478 7.609 1.00 0.00 H new ATOM 591 N GLY A 41 22.608 -9.568 10.408 1.00 0.00 N ATOM 592 CA GLY A 41 23.824 -10.292 10.178 1.00 0.00 C ATOM 593 C GLY A 41 24.983 -9.812 11.049 1.00 0.00 C ATOM 594 O GLY A 41 26.011 -10.477 11.073 1.00 0.00 O ATOM 0 H GLY A 41 22.251 -9.668 11.358 1.00 0.00 H new ATOM 0 HA2 GLY A 41 23.650 -11.351 10.367 1.00 0.00 H new ATOM 0 HA3 GLY A 41 24.103 -10.197 9.129 1.00 0.00 H new ATOM 598 N TYR A 42 24.836 -8.678 11.727 1.00 0.00 N ATOM 599 CA TYR A 42 25.878 -8.079 12.535 1.00 0.00 C ATOM 600 C TYR A 42 26.021 -8.842 13.841 1.00 0.00 C ATOM 601 O TYR A 42 25.232 -9.742 14.134 1.00 0.00 O ATOM 602 CB TYR A 42 25.504 -6.615 12.778 1.00 0.00 C ATOM 603 CG TYR A 42 25.647 -5.737 11.544 1.00 0.00 C ATOM 604 CD1 TYR A 42 24.979 -6.007 10.330 1.00 0.00 C ATOM 605 CD2 TYR A 42 26.469 -4.612 11.611 1.00 0.00 C ATOM 606 CE1 TYR A 42 25.123 -5.161 9.212 1.00 0.00 C ATOM 607 CE2 TYR A 42 26.640 -3.777 10.491 1.00 0.00 C ATOM 608 CZ TYR A 42 25.949 -4.032 9.304 1.00 0.00 C ATOM 609 OH TYR A 42 26.099 -3.187 8.268 1.00 0.00 O ATOM 0 H TYR A 42 23.968 -8.143 11.726 1.00 0.00 H new ATOM 0 HA TYR A 42 26.840 -8.124 12.025 1.00 0.00 H new ATOM 0 HB2 TYR A 42 24.474 -6.566 13.131 1.00 0.00 H new ATOM 0 HB3 TYR A 42 26.133 -6.215 13.573 1.00 0.00 H new ATOM 0 HD1 TYR A 42 24.345 -6.879 10.257 1.00 0.00 H new ATOM 0 HD2 TYR A 42 26.980 -4.379 12.533 1.00 0.00 H new ATOM 0 HE1 TYR A 42 24.601 -5.381 8.292 1.00 0.00 H new ATOM 0 HE2 TYR A 42 27.311 -2.933 10.550 1.00 0.00 H new ATOM 0 HH TYR A 42 25.256 -2.714 8.107 1.00 0.00 H new ATOM 619 N ASP A 43 26.999 -8.438 14.640 1.00 0.00 N ATOM 620 CA ASP A 43 27.191 -9.003 15.973 1.00 0.00 C ATOM 621 C ASP A 43 26.566 -8.123 17.050 1.00 0.00 C ATOM 622 O ASP A 43 25.985 -8.617 18.011 1.00 0.00 O ATOM 623 CB ASP A 43 28.692 -9.099 16.257 1.00 0.00 C ATOM 624 CG ASP A 43 29.203 -10.532 16.327 1.00 0.00 C ATOM 625 OD1 ASP A 43 28.611 -11.352 17.064 1.00 0.00 O ATOM 626 OD2 ASP A 43 30.218 -10.773 15.641 1.00 0.00 O ATOM 0 H ASP A 43 27.676 -7.718 14.389 1.00 0.00 H new ATOM 0 HA ASP A 43 26.714 -9.983 15.996 1.00 0.00 H new ATOM 0 HB2 ASP A 43 29.237 -8.564 15.479 1.00 0.00 H new ATOM 0 HB3 ASP A 43 28.909 -8.597 17.200 1.00 0.00 H new ATOM 631 N GLY A 44 26.684 -6.804 16.895 1.00 0.00 N ATOM 632 CA GLY A 44 26.178 -5.836 17.849 1.00 0.00 C ATOM 633 C GLY A 44 26.290 -4.418 17.331 1.00 0.00 C ATOM 634 O GLY A 44 25.319 -3.875 16.801 1.00 0.00 O ATOM 0 H GLY A 44 27.142 -6.379 16.089 1.00 0.00 H new ATOM 0 HA2 GLY A 44 25.135 -6.059 18.073 1.00 0.00 H new ATOM 0 HA3 GLY A 44 26.731 -5.925 18.784 1.00 0.00 H new ATOM 638 N ASP A 45 27.478 -3.840 17.484 1.00 0.00 N ATOM 639 CA ASP A 45 27.775 -2.487 17.012 1.00 0.00 C ATOM 640 C ASP A 45 28.504 -2.538 15.672 1.00 0.00 C ATOM 641 O ASP A 45 28.028 -2.041 14.650 1.00 0.00 O ATOM 642 CB ASP A 45 28.683 -1.768 18.034 1.00 0.00 C ATOM 643 CG ASP A 45 27.973 -0.639 18.785 1.00 0.00 C ATOM 644 OD1 ASP A 45 27.310 -0.957 19.783 1.00 0.00 O ATOM 645 OD2 ASP A 45 28.091 0.546 18.385 1.00 0.00 O ATOM 0 H ASP A 45 28.267 -4.298 17.941 1.00 0.00 H new ATOM 0 HA ASP A 45 26.834 -1.950 16.896 1.00 0.00 H new ATOM 0 HB2 ASP A 45 29.055 -2.496 18.754 1.00 0.00 H new ATOM 0 HB3 ASP A 45 29.551 -1.361 17.515 1.00 0.00 H new ATOM 650 N GLY A 46 29.705 -3.131 15.688 1.00 0.00 N ATOM 651 CA GLY A 46 30.519 -3.278 14.498 1.00 0.00 C ATOM 652 C GLY A 46 29.791 -4.109 13.462 1.00 0.00 C ATOM 653 O GLY A 46 28.802 -4.770 13.777 1.00 0.00 O ATOM 0 H GLY A 46 30.130 -3.518 16.531 1.00 0.00 H new ATOM 0 HA2 GLY A 46 30.754 -2.296 14.087 1.00 0.00 H new ATOM 0 HA3 GLY A 46 31.467 -3.752 14.754 1.00 0.00 H new ATOM 657 N LYS A 47 30.303 -4.086 12.228 1.00 0.00 N ATOM 658 CA LYS A 47 29.796 -4.917 11.141 1.00 0.00 C ATOM 659 C LYS A 47 29.752 -6.407 11.494 1.00 0.00 C ATOM 660 O LYS A 47 30.075 -6.845 12.592 1.00 0.00 O ATOM 661 CB LYS A 47 30.530 -4.607 9.837 1.00 0.00 C ATOM 662 CG LYS A 47 31.988 -5.081 9.915 1.00 0.00 C ATOM 663 CD LYS A 47 32.938 -3.996 9.400 1.00 0.00 C ATOM 664 CE LYS A 47 34.160 -4.635 8.737 1.00 0.00 C ATOM 665 NZ LYS A 47 35.272 -3.663 8.655 1.00 0.00 N ATOM 0 H LYS A 47 31.083 -3.487 11.958 1.00 0.00 H new ATOM 0 HA LYS A 47 28.750 -4.655 10.981 1.00 0.00 H new ATOM 0 HB2 LYS A 47 30.026 -5.097 9.004 1.00 0.00 H new ATOM 0 HB3 LYS A 47 30.500 -3.535 9.642 1.00 0.00 H new ATOM 0 HG2 LYS A 47 32.239 -5.332 10.945 1.00 0.00 H new ATOM 0 HG3 LYS A 47 32.112 -5.990 9.326 1.00 0.00 H new ATOM 0 HD2 LYS A 47 32.419 -3.358 8.685 1.00 0.00 H new ATOM 0 HD3 LYS A 47 33.255 -3.358 10.225 1.00 0.00 H new ATOM 0 HE2 LYS A 47 34.475 -5.509 9.307 1.00 0.00 H new ATOM 0 HE3 LYS A 47 33.899 -4.983 7.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 36.093 -4.113 8.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 34.974 -2.841 8.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 35.532 -3.351 9.613 1.00 0.00 H new ATOM 679 N LEU A 48 29.376 -7.209 10.525 1.00 0.00 N ATOM 680 CA LEU A 48 29.333 -8.634 10.734 1.00 0.00 C ATOM 681 C LEU A 48 30.739 -9.205 10.984 1.00 0.00 C ATOM 682 O LEU A 48 31.736 -8.599 10.568 1.00 0.00 O ATOM 683 CB LEU A 48 28.643 -9.319 9.558 1.00 0.00 C ATOM 684 CG LEU A 48 27.618 -8.432 8.822 1.00 0.00 C ATOM 685 CD1 LEU A 48 28.324 -7.757 7.644 1.00 0.00 C ATOM 686 CD2 LEU A 48 26.395 -9.210 8.347 1.00 0.00 C ATOM 0 H LEU A 48 29.098 -6.901 9.593 1.00 0.00 H new ATOM 0 HA LEU A 48 28.747 -8.835 11.631 1.00 0.00 H new ATOM 0 HB2 LEU A 48 29.401 -9.645 8.846 1.00 0.00 H new ATOM 0 HB3 LEU A 48 28.138 -10.215 9.919 1.00 0.00 H new ATOM 0 HG LEU A 48 27.242 -7.686 9.522 1.00 0.00 H new ATOM 0 HD11 LEU A 48 27.616 -7.124 7.109 1.00 0.00 H new ATOM 0 HD12 LEU A 48 29.148 -7.147 8.015 1.00 0.00 H new ATOM 0 HD13 LEU A 48 28.712 -8.519 6.968 1.00 0.00 H new ATOM 0 HD21 LEU A 48 25.709 -8.534 7.836 1.00 0.00 H new ATOM 0 HD22 LEU A 48 26.708 -9.996 7.660 1.00 0.00 H new ATOM 0 HD23 LEU A 48 25.892 -9.657 9.205 1.00 0.00 H new ATOM 698 N PRO A 49 30.820 -10.368 11.647 1.00 0.00 N ATOM 699 CA PRO A 49 32.086 -11.008 11.930 1.00 0.00 C ATOM 700 C PRO A 49 32.681 -11.601 10.660 1.00 0.00 C ATOM 701 O PRO A 49 32.093 -11.563 9.571 1.00 0.00 O ATOM 702 CB PRO A 49 31.787 -12.063 12.994 1.00 0.00 C ATOM 703 CG PRO A 49 30.268 -12.310 12.927 1.00 0.00 C ATOM 704 CD PRO A 49 29.691 -11.152 12.127 1.00 0.00 C ATOM 0 HA PRO A 49 32.835 -10.306 12.297 1.00 0.00 H new ATOM 0 HB2 PRO A 49 32.341 -12.981 12.800 1.00 0.00 H new ATOM 0 HB3 PRO A 49 32.083 -11.715 13.984 1.00 0.00 H new ATOM 0 HG2 PRO A 49 30.048 -13.264 12.447 1.00 0.00 H new ATOM 0 HG3 PRO A 49 29.834 -12.349 13.926 1.00 0.00 H new ATOM 0 HD2 PRO A 49 29.093 -11.519 11.293 1.00 0.00 H new ATOM 0 HD3 PRO A 49 29.034 -10.543 12.748 1.00 0.00 H new ATOM 712 N LYS A 50 33.901 -12.133 10.780 1.00 0.00 N ATOM 713 CA LYS A 50 34.575 -12.808 9.679 1.00 0.00 C ATOM 714 C LYS A 50 33.723 -13.977 9.158 1.00 0.00 C ATOM 715 O LYS A 50 33.781 -15.084 9.677 1.00 0.00 O ATOM 716 CB LYS A 50 36.000 -13.199 10.094 1.00 0.00 C ATOM 717 CG LYS A 50 36.534 -14.390 9.279 1.00 0.00 C ATOM 718 CD LYS A 50 38.049 -14.392 9.153 1.00 0.00 C ATOM 719 CE LYS A 50 38.441 -14.254 7.677 1.00 0.00 C ATOM 720 NZ LYS A 50 39.857 -14.627 7.497 1.00 0.00 N ATOM 0 H LYS A 50 34.444 -12.105 11.643 1.00 0.00 H new ATOM 0 HA LYS A 50 34.684 -12.129 8.833 1.00 0.00 H new ATOM 0 HB2 LYS A 50 36.663 -12.344 9.962 1.00 0.00 H new ATOM 0 HB3 LYS A 50 36.012 -13.451 11.154 1.00 0.00 H new ATOM 0 HG2 LYS A 50 36.213 -15.319 9.750 1.00 0.00 H new ATOM 0 HG3 LYS A 50 36.092 -14.369 8.283 1.00 0.00 H new ATOM 0 HD2 LYS A 50 38.473 -13.571 9.731 1.00 0.00 H new ATOM 0 HD3 LYS A 50 38.457 -15.315 9.564 1.00 0.00 H new ATOM 0 HE2 LYS A 50 37.807 -14.892 7.062 1.00 0.00 H new ATOM 0 HE3 LYS A 50 38.281 -13.229 7.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 40.116 -14.531 6.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 40.457 -14.001 8.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 39.997 -15.612 7.798 1.00 0.00 H new ATOM 734 N GLY A 51 32.964 -13.725 8.100 1.00 0.00 N ATOM 735 CA GLY A 51 32.057 -14.715 7.551 1.00 0.00 C ATOM 736 C GLY A 51 30.608 -14.383 7.837 1.00 0.00 C ATOM 737 O GLY A 51 30.071 -14.809 8.853 1.00 0.00 O ATOM 0 H GLY A 51 32.962 -12.834 7.603 1.00 0.00 H new ATOM 0 HA2 GLY A 51 32.206 -14.784 6.474 1.00 0.00 H new ATOM 0 HA3 GLY A 51 32.293 -15.693 7.969 1.00 0.00 H new ATOM 741 N ARG A 52 29.973 -13.643 6.929 1.00 0.00 N ATOM 742 CA ARG A 52 28.558 -13.306 7.004 1.00 0.00 C ATOM 743 C ARG A 52 28.112 -12.600 5.743 1.00 0.00 C ATOM 744 O ARG A 52 28.952 -12.071 5.025 1.00 0.00 O ATOM 745 CB ARG A 52 28.342 -12.380 8.206 1.00 0.00 C ATOM 746 CG ARG A 52 27.505 -13.074 9.292 1.00 0.00 C ATOM 747 CD ARG A 52 26.011 -12.979 9.006 1.00 0.00 C ATOM 748 NE ARG A 52 25.457 -14.261 8.553 1.00 0.00 N ATOM 749 CZ ARG A 52 24.176 -14.561 8.478 1.00 0.00 C ATOM 750 NH1 ARG A 52 23.263 -13.680 8.773 1.00 0.00 N ATOM 751 NH2 ARG A 52 23.795 -15.747 8.101 1.00 0.00 N ATOM 0 H ARG A 52 30.438 -13.256 6.108 1.00 0.00 H new ATOM 0 HA ARG A 52 27.975 -14.220 7.114 1.00 0.00 H new ATOM 0 HB2 ARG A 52 29.306 -12.083 8.619 1.00 0.00 H new ATOM 0 HB3 ARG A 52 27.840 -11.468 7.882 1.00 0.00 H new ATOM 0 HG2 ARG A 52 27.796 -14.122 9.360 1.00 0.00 H new ATOM 0 HG3 ARG A 52 27.719 -12.621 10.260 1.00 0.00 H new ATOM 0 HD2 ARG A 52 25.489 -12.656 9.907 1.00 0.00 H new ATOM 0 HD3 ARG A 52 25.835 -12.218 8.245 1.00 0.00 H new ATOM 0 HE ARG A 52 26.121 -14.982 8.272 1.00 0.00 H new ATOM 0 HH11 ARG A 52 23.535 -12.742 9.067 1.00 0.00 H new ATOM 0 HH12 ARG A 52 22.276 -13.928 8.710 1.00 0.00 H new ATOM 0 HH21 ARG A 52 24.490 -16.454 7.861 1.00 0.00 H new ATOM 0 HH22 ARG A 52 22.801 -15.970 8.046 1.00 0.00 H new ATOM 765 N THR A 53 26.796 -12.563 5.534 1.00 0.00 N ATOM 766 CA THR A 53 26.213 -11.968 4.334 1.00 0.00 C ATOM 767 C THR A 53 24.919 -11.238 4.685 1.00 0.00 C ATOM 768 O THR A 53 23.887 -11.885 4.881 1.00 0.00 O ATOM 769 CB THR A 53 26.064 -13.014 3.240 1.00 0.00 C ATOM 770 OG1 THR A 53 27.379 -13.381 2.882 1.00 0.00 O ATOM 771 CG2 THR A 53 25.402 -12.464 1.987 1.00 0.00 C ATOM 0 H THR A 53 26.110 -12.942 6.187 1.00 0.00 H new ATOM 0 HA THR A 53 26.883 -11.211 3.927 1.00 0.00 H new ATOM 0 HB THR A 53 25.448 -13.833 3.612 1.00 0.00 H new ATOM 0 HG1 THR A 53 27.348 -14.060 2.176 1.00 0.00 H new ATOM 0 HG21 THR A 53 25.322 -13.255 1.241 1.00 0.00 H new ATOM 0 HG22 THR A 53 24.406 -12.096 2.233 1.00 0.00 H new ATOM 0 HG23 THR A 53 26.002 -11.647 1.587 1.00 0.00 H new ATOM 779 N PRO A 54 24.992 -9.914 4.911 1.00 0.00 N ATOM 780 CA PRO A 54 23.832 -9.118 5.268 1.00 0.00 C ATOM 781 C PRO A 54 22.933 -8.927 4.050 1.00 0.00 C ATOM 782 O PRO A 54 23.367 -8.867 2.895 1.00 0.00 O ATOM 783 CB PRO A 54 24.367 -7.785 5.771 1.00 0.00 C ATOM 784 CG PRO A 54 25.800 -7.690 5.236 1.00 0.00 C ATOM 785 CD PRO A 54 26.187 -9.092 4.765 1.00 0.00 C ATOM 0 HA PRO A 54 23.229 -9.604 6.035 1.00 0.00 H new ATOM 0 HB2 PRO A 54 23.758 -6.956 5.410 1.00 0.00 H new ATOM 0 HB3 PRO A 54 24.351 -7.742 6.860 1.00 0.00 H new ATOM 0 HG2 PRO A 54 25.860 -6.976 4.415 1.00 0.00 H new ATOM 0 HG3 PRO A 54 26.481 -7.341 6.013 1.00 0.00 H new ATOM 0 HD2 PRO A 54 26.524 -9.075 3.728 1.00 0.00 H new ATOM 0 HD3 PRO A 54 27.008 -9.490 5.361 1.00 0.00 H new ATOM 793 N ILE A 55 21.634 -8.863 4.314 1.00 0.00 N ATOM 794 CA ILE A 55 20.636 -8.712 3.269 1.00 0.00 C ATOM 795 C ILE A 55 20.796 -7.324 2.675 1.00 0.00 C ATOM 796 O ILE A 55 20.696 -6.339 3.386 1.00 0.00 O ATOM 797 CB ILE A 55 19.230 -8.965 3.827 1.00 0.00 C ATOM 798 CG1 ILE A 55 19.215 -10.314 4.577 1.00 0.00 C ATOM 799 CG2 ILE A 55 18.243 -8.974 2.658 1.00 0.00 C ATOM 800 CD1 ILE A 55 17.806 -10.833 4.811 1.00 0.00 C ATOM 0 H ILE A 55 21.246 -8.914 5.256 1.00 0.00 H new ATOM 0 HA ILE A 55 20.778 -9.449 2.479 1.00 0.00 H new ATOM 0 HB ILE A 55 18.943 -8.183 4.530 1.00 0.00 H new ATOM 0 HG12 ILE A 55 19.780 -11.050 4.005 1.00 0.00 H new ATOM 0 HG13 ILE A 55 19.720 -10.199 5.536 1.00 0.00 H new ATOM 0 HG21 ILE A 55 17.236 -9.153 3.034 1.00 0.00 H new ATOM 0 HG22 ILE A 55 18.275 -8.011 2.148 1.00 0.00 H new ATOM 0 HG23 ILE A 55 18.515 -9.764 1.958 1.00 0.00 H new ATOM 0 HD11 ILE A 55 17.852 -11.784 5.342 1.00 0.00 H new ATOM 0 HD12 ILE A 55 17.247 -10.112 5.407 1.00 0.00 H new ATOM 0 HD13 ILE A 55 17.307 -10.976 3.852 1.00 0.00 H new ATOM 812 N LYS A 56 21.140 -7.235 1.397 1.00 0.00 N ATOM 813 CA LYS A 56 21.271 -5.950 0.734 1.00 0.00 C ATOM 814 C LYS A 56 19.883 -5.492 0.311 1.00 0.00 C ATOM 815 O LYS A 56 19.131 -6.244 -0.308 1.00 0.00 O ATOM 816 CB LYS A 56 22.283 -6.091 -0.413 1.00 0.00 C ATOM 817 CG LYS A 56 22.097 -5.019 -1.498 1.00 0.00 C ATOM 818 CD LYS A 56 20.952 -5.400 -2.460 1.00 0.00 C ATOM 819 CE LYS A 56 21.319 -5.162 -3.910 1.00 0.00 C ATOM 820 NZ LYS A 56 21.415 -3.712 -4.179 1.00 0.00 N ATOM 0 H LYS A 56 21.333 -8.040 0.801 1.00 0.00 H new ATOM 0 HA LYS A 56 21.666 -5.172 1.388 1.00 0.00 H new ATOM 0 HB2 LYS A 56 23.294 -6.025 -0.011 1.00 0.00 H new ATOM 0 HB3 LYS A 56 22.183 -7.079 -0.862 1.00 0.00 H new ATOM 0 HG2 LYS A 56 21.880 -4.058 -1.032 1.00 0.00 H new ATOM 0 HG3 LYS A 56 23.024 -4.899 -2.059 1.00 0.00 H new ATOM 0 HD2 LYS A 56 20.696 -6.450 -2.320 1.00 0.00 H new ATOM 0 HD3 LYS A 56 20.063 -4.820 -2.212 1.00 0.00 H new ATOM 0 HE2 LYS A 56 22.269 -5.645 -4.137 1.00 0.00 H new ATOM 0 HE3 LYS A 56 20.569 -5.612 -4.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 21.667 -3.560 -5.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 20.499 -3.261 -3.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 22.146 -3.293 -3.569 1.00 0.00 H new ATOM 834 N PHE A 57 19.605 -4.214 0.527 1.00 0.00 N ATOM 835 CA PHE A 57 18.336 -3.593 0.180 1.00 0.00 C ATOM 836 C PHE A 57 18.544 -2.549 -0.895 1.00 0.00 C ATOM 837 O PHE A 57 17.945 -2.617 -1.962 1.00 0.00 O ATOM 838 CB PHE A 57 17.734 -2.979 1.441 1.00 0.00 C ATOM 839 CG PHE A 57 17.828 -3.856 2.671 1.00 0.00 C ATOM 840 CD1 PHE A 57 18.963 -3.825 3.496 1.00 0.00 C ATOM 841 CD2 PHE A 57 16.730 -4.631 3.049 1.00 0.00 C ATOM 842 CE1 PHE A 57 18.991 -4.616 4.663 1.00 0.00 C ATOM 843 CE2 PHE A 57 16.769 -5.442 4.203 1.00 0.00 C ATOM 844 CZ PHE A 57 17.915 -5.453 4.991 1.00 0.00 C ATOM 0 H PHE A 57 20.268 -3.568 0.956 1.00 0.00 H new ATOM 0 HA PHE A 57 17.647 -4.338 -0.217 1.00 0.00 H new ATOM 0 HB2 PHE A 57 18.236 -2.033 1.645 1.00 0.00 H new ATOM 0 HB3 PHE A 57 16.685 -2.749 1.253 1.00 0.00 H new ATOM 0 HD1 PHE A 57 19.807 -3.201 3.240 1.00 0.00 H new ATOM 0 HD2 PHE A 57 15.834 -4.609 2.447 1.00 0.00 H new ATOM 0 HE1 PHE A 57 19.853 -4.577 5.313 1.00 0.00 H new ATOM 0 HE2 PHE A 57 15.917 -6.049 4.472 1.00 0.00 H new ATOM 0 HZ PHE A 57 17.976 -6.103 5.851 1.00 0.00 H new ATOM 854 N GLY A 58 19.465 -1.628 -0.633 1.00 0.00 N ATOM 855 CA GLY A 58 19.752 -0.502 -1.500 1.00 0.00 C ATOM 856 C GLY A 58 19.743 0.826 -0.764 1.00 0.00 C ATOM 857 O GLY A 58 20.143 1.844 -1.320 1.00 0.00 O ATOM 0 H GLY A 58 20.043 -1.648 0.207 1.00 0.00 H new ATOM 0 HA2 GLY A 58 20.727 -0.647 -1.966 1.00 0.00 H new ATOM 0 HA3 GLY A 58 19.016 -0.472 -2.304 1.00 0.00 H new ATOM 861 N LYS A 59 19.259 0.833 0.473 1.00 0.00 N ATOM 862 CA LYS A 59 19.265 2.013 1.309 1.00 0.00 C ATOM 863 C LYS A 59 20.536 2.089 2.116 1.00 0.00 C ATOM 864 O LYS A 59 20.901 1.104 2.745 1.00 0.00 O ATOM 865 CB LYS A 59 17.988 2.014 2.155 1.00 0.00 C ATOM 866 CG LYS A 59 16.815 2.598 1.353 1.00 0.00 C ATOM 867 CD LYS A 59 16.973 4.111 1.107 1.00 0.00 C ATOM 868 CE LYS A 59 17.555 4.403 -0.281 1.00 0.00 C ATOM 869 NZ LYS A 59 16.782 5.459 -0.967 1.00 0.00 N ATOM 0 H LYS A 59 18.851 0.012 0.920 1.00 0.00 H new ATOM 0 HA LYS A 59 19.259 2.920 0.705 1.00 0.00 H new ATOM 0 HB2 LYS A 59 17.752 0.997 2.469 1.00 0.00 H new ATOM 0 HB3 LYS A 59 18.145 2.599 3.061 1.00 0.00 H new ATOM 0 HG2 LYS A 59 16.739 2.082 0.396 1.00 0.00 H new ATOM 0 HG3 LYS A 59 15.884 2.414 1.889 1.00 0.00 H new ATOM 0 HD2 LYS A 59 16.003 4.599 1.205 1.00 0.00 H new ATOM 0 HD3 LYS A 59 17.623 4.538 1.871 1.00 0.00 H new ATOM 0 HE2 LYS A 59 18.596 4.713 -0.185 1.00 0.00 H new ATOM 0 HE3 LYS A 59 17.547 3.493 -0.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 17.195 5.639 -1.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 15.795 5.151 -1.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 16.811 6.332 -0.403 1.00 0.00 H new ATOM 883 N SER A 60 21.163 3.266 2.111 1.00 0.00 N ATOM 884 CA SER A 60 22.355 3.510 2.919 1.00 0.00 C ATOM 885 C SER A 60 22.020 3.646 4.406 1.00 0.00 C ATOM 886 O SER A 60 22.880 3.934 5.227 1.00 0.00 O ATOM 887 CB SER A 60 23.078 4.772 2.430 1.00 0.00 C ATOM 888 OG SER A 60 24.113 4.422 1.530 1.00 0.00 O ATOM 0 H SER A 60 20.863 4.066 1.554 1.00 0.00 H new ATOM 0 HA SER A 60 23.009 2.646 2.803 1.00 0.00 H new ATOM 0 HB2 SER A 60 22.369 5.439 1.940 1.00 0.00 H new ATOM 0 HB3 SER A 60 23.492 5.315 3.279 1.00 0.00 H new ATOM 0 HG SER A 60 24.567 5.234 1.222 1.00 0.00 H new ATOM 894 N ASP A 61 20.747 3.516 4.774 1.00 0.00 N ATOM 895 CA ASP A 61 20.269 3.618 6.135 1.00 0.00 C ATOM 896 C ASP A 61 20.363 2.262 6.792 1.00 0.00 C ATOM 897 O ASP A 61 20.967 2.162 7.853 1.00 0.00 O ATOM 898 CB ASP A 61 18.812 4.102 6.216 1.00 0.00 C ATOM 899 CG ASP A 61 18.414 5.022 5.067 1.00 0.00 C ATOM 900 OD1 ASP A 61 18.933 6.157 5.000 1.00 0.00 O ATOM 901 OD2 ASP A 61 17.701 4.526 4.177 1.00 0.00 O ATOM 0 H ASP A 61 20.001 3.331 4.103 1.00 0.00 H new ATOM 0 HA ASP A 61 20.893 4.353 6.644 1.00 0.00 H new ATOM 0 HB2 ASP A 61 18.150 3.236 6.225 1.00 0.00 H new ATOM 0 HB3 ASP A 61 18.663 4.627 7.160 1.00 0.00 H new ATOM 906 N CYS A 62 19.759 1.249 6.164 1.00 0.00 N ATOM 907 CA CYS A 62 19.752 -0.106 6.689 1.00 0.00 C ATOM 908 C CYS A 62 21.118 -0.734 6.458 1.00 0.00 C ATOM 909 O CYS A 62 21.570 -1.499 7.301 1.00 0.00 O ATOM 910 CB CYS A 62 18.672 -0.954 6.004 1.00 0.00 C ATOM 911 SG CYS A 62 17.195 -0.075 5.450 1.00 0.00 S ATOM 0 H CYS A 62 19.263 1.352 5.278 1.00 0.00 H new ATOM 0 HA CYS A 62 19.531 -0.069 7.756 1.00 0.00 H new ATOM 0 HB2 CYS A 62 19.120 -1.447 5.141 1.00 0.00 H new ATOM 0 HB3 CYS A 62 18.364 -1.739 6.695 1.00 0.00 H new ATOM 916 N ASP A 63 21.755 -0.391 5.326 1.00 0.00 N ATOM 917 CA ASP A 63 23.112 -0.841 5.020 1.00 0.00 C ATOM 918 C ASP A 63 24.098 -0.377 6.077 1.00 0.00 C ATOM 919 O ASP A 63 24.964 -1.151 6.491 1.00 0.00 O ATOM 920 CB ASP A 63 23.561 -0.288 3.665 1.00 0.00 C ATOM 921 CG ASP A 63 25.029 -0.600 3.346 1.00 0.00 C ATOM 922 OD1 ASP A 63 25.914 0.100 3.888 1.00 0.00 O ATOM 923 OD2 ASP A 63 25.228 -1.491 2.493 1.00 0.00 O ATOM 0 H ASP A 63 21.343 0.202 4.606 1.00 0.00 H new ATOM 0 HA ASP A 63 23.096 -1.931 4.997 1.00 0.00 H new ATOM 0 HB2 ASP A 63 22.928 -0.705 2.881 1.00 0.00 H new ATOM 0 HB3 ASP A 63 23.414 0.792 3.653 1.00 0.00 H new ATOM 928 N ARG A 64 23.920 0.868 6.544 1.00 0.00 N ATOM 929 CA ARG A 64 24.776 1.430 7.565 1.00 0.00 C ATOM 930 C ARG A 64 24.961 0.460 8.743 1.00 0.00 C ATOM 931 O ARG A 64 24.098 -0.352 9.085 1.00 0.00 O ATOM 932 CB ARG A 64 24.236 2.792 8.026 1.00 0.00 C ATOM 933 CG ARG A 64 23.618 2.765 9.429 1.00 0.00 C ATOM 934 CD ARG A 64 23.154 4.103 9.920 1.00 0.00 C ATOM 935 NE ARG A 64 22.488 4.871 8.884 1.00 0.00 N ATOM 936 CZ ARG A 64 22.446 6.175 8.768 1.00 0.00 C ATOM 937 NH1 ARG A 64 22.983 6.937 9.681 1.00 0.00 N ATOM 938 NH2 ARG A 64 21.870 6.732 7.752 1.00 0.00 N ATOM 0 H ARG A 64 23.184 1.496 6.221 1.00 0.00 H new ATOM 0 HA ARG A 64 25.764 1.590 7.133 1.00 0.00 H new ATOM 0 HB2 ARG A 64 25.048 3.519 8.010 1.00 0.00 H new ATOM 0 HB3 ARG A 64 23.485 3.136 7.314 1.00 0.00 H new ATOM 0 HG2 ARG A 64 22.772 2.077 9.429 1.00 0.00 H new ATOM 0 HG3 ARG A 64 24.352 2.367 10.130 1.00 0.00 H new ATOM 0 HD2 ARG A 64 22.473 3.963 10.759 1.00 0.00 H new ATOM 0 HD3 ARG A 64 24.009 4.667 10.294 1.00 0.00 H new ATOM 0 HE ARG A 64 21.998 4.336 8.167 1.00 0.00 H new ATOM 0 HH11 ARG A 64 23.439 6.518 10.491 1.00 0.00 H new ATOM 0 HH12 ARG A 64 22.947 7.952 9.584 1.00 0.00 H new ATOM 0 HH21 ARG A 64 21.441 6.154 7.029 1.00 0.00 H new ATOM 0 HH22 ARG A 64 21.845 7.749 7.674 1.00 0.00 H new ATOM 952 N PRO A 65 26.035 0.669 9.508 1.00 0.00 N ATOM 953 CA PRO A 65 26.245 -0.120 10.691 1.00 0.00 C ATOM 954 C PRO A 65 25.242 0.216 11.812 1.00 0.00 C ATOM 955 O PRO A 65 25.059 1.399 12.110 1.00 0.00 O ATOM 956 CB PRO A 65 27.671 0.153 11.114 1.00 0.00 C ATOM 957 CG PRO A 65 28.073 1.460 10.410 1.00 0.00 C ATOM 958 CD PRO A 65 27.001 1.740 9.369 1.00 0.00 C ATOM 0 HA PRO A 65 26.082 -1.178 10.486 1.00 0.00 H new ATOM 0 HB2 PRO A 65 27.745 0.253 12.197 1.00 0.00 H new ATOM 0 HB3 PRO A 65 28.329 -0.666 10.824 1.00 0.00 H new ATOM 0 HG2 PRO A 65 28.142 2.280 11.125 1.00 0.00 H new ATOM 0 HG3 PRO A 65 29.052 1.362 9.941 1.00 0.00 H new ATOM 0 HD2 PRO A 65 26.536 2.712 9.536 1.00 0.00 H new ATOM 0 HD3 PRO A 65 27.425 1.758 8.365 1.00 0.00 H new ATOM 966 N PRO A 66 24.612 -0.779 12.473 1.00 0.00 N ATOM 967 CA PRO A 66 23.702 -0.595 13.581 1.00 0.00 C ATOM 968 C PRO A 66 24.449 -0.183 14.848 1.00 0.00 C ATOM 969 O PRO A 66 25.669 -0.088 14.913 1.00 0.00 O ATOM 970 CB PRO A 66 23.003 -1.938 13.760 1.00 0.00 C ATOM 971 CG PRO A 66 23.878 -2.989 13.074 1.00 0.00 C ATOM 972 CD PRO A 66 24.847 -2.177 12.244 1.00 0.00 C ATOM 0 HA PRO A 66 22.987 0.205 13.386 1.00 0.00 H new ATOM 0 HB2 PRO A 66 22.878 -2.170 14.818 1.00 0.00 H new ATOM 0 HB3 PRO A 66 22.007 -1.917 13.318 1.00 0.00 H new ATOM 0 HG2 PRO A 66 24.400 -3.610 13.802 1.00 0.00 H new ATOM 0 HG3 PRO A 66 23.284 -3.658 12.452 1.00 0.00 H new ATOM 0 HD2 PRO A 66 25.873 -2.433 12.508 1.00 0.00 H new ATOM 0 HD3 PRO A 66 24.722 -2.410 11.187 1.00 0.00 H new ATOM 980 N LYS A 67 23.680 0.201 15.860 1.00 0.00 N ATOM 981 CA LYS A 67 24.255 0.672 17.114 1.00 0.00 C ATOM 982 C LYS A 67 23.482 0.059 18.240 1.00 0.00 C ATOM 983 O LYS A 67 22.891 0.819 18.975 1.00 0.00 O ATOM 984 CB LYS A 67 24.302 2.207 17.187 1.00 0.00 C ATOM 985 CG LYS A 67 24.955 2.722 18.475 1.00 0.00 C ATOM 986 CD LYS A 67 26.206 3.561 18.188 1.00 0.00 C ATOM 987 CE LYS A 67 26.223 4.799 19.080 1.00 0.00 C ATOM 988 NZ LYS A 67 26.812 4.474 20.394 1.00 0.00 N ATOM 0 H LYS A 67 22.660 0.196 15.837 1.00 0.00 H new ATOM 0 HA LYS A 67 25.296 0.358 17.186 1.00 0.00 H new ATOM 0 HB2 LYS A 67 24.853 2.590 16.328 1.00 0.00 H new ATOM 0 HB3 LYS A 67 23.288 2.601 17.117 1.00 0.00 H new ATOM 0 HG2 LYS A 67 24.235 3.322 19.031 1.00 0.00 H new ATOM 0 HG3 LYS A 67 25.223 1.877 19.109 1.00 0.00 H new ATOM 0 HD2 LYS A 67 27.101 2.965 18.363 1.00 0.00 H new ATOM 0 HD3 LYS A 67 26.221 3.858 17.139 1.00 0.00 H new ATOM 0 HE2 LYS A 67 26.798 5.592 18.602 1.00 0.00 H new ATOM 0 HE3 LYS A 67 25.208 5.175 19.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 26.818 5.325 20.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 26.247 3.732 20.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 27.787 4.136 20.263 1.00 0.00 H new ATOM 1002 N HIS A 68 23.329 -1.260 18.258 1.00 0.00 N ATOM 1003 CA HIS A 68 22.610 -1.925 19.350 1.00 0.00 C ATOM 1004 C HIS A 68 23.470 -1.986 20.613 1.00 0.00 C ATOM 1005 O HIS A 68 24.679 -1.872 20.547 1.00 0.00 O ATOM 1006 CB HIS A 68 22.177 -3.307 18.847 1.00 0.00 C ATOM 1007 CG HIS A 68 21.696 -4.269 19.903 1.00 0.00 C ATOM 1008 ND1 HIS A 68 22.499 -5.233 20.477 1.00 0.00 N ATOM 1009 CD2 HIS A 68 20.452 -4.322 20.477 1.00 0.00 C ATOM 1010 CE1 HIS A 68 21.731 -5.895 21.367 1.00 0.00 C ATOM 1011 NE2 HIS A 68 20.486 -5.355 21.391 1.00 0.00 N ATOM 0 H HIS A 68 23.687 -1.889 17.539 1.00 0.00 H new ATOM 0 HA HIS A 68 21.721 -1.362 19.635 1.00 0.00 H new ATOM 0 HB2 HIS A 68 21.381 -3.173 18.115 1.00 0.00 H new ATOM 0 HB3 HIS A 68 23.018 -3.762 18.324 1.00 0.00 H new ATOM 0 HD2 HIS A 68 19.611 -3.681 20.257 1.00 0.00 H new ATOM 0 HE1 HIS A 68 22.058 -6.729 21.970 1.00 0.00 H new ATOM 0 HE2 HIS A 68 19.712 -5.659 21.981 1.00 0.00 H new ATOM 1020 N SER A 69 22.870 -2.323 21.744 1.00 0.00 N ATOM 1021 CA SER A 69 23.573 -2.495 23.007 1.00 0.00 C ATOM 1022 C SER A 69 22.829 -3.446 23.931 1.00 0.00 C ATOM 1023 O SER A 69 21.912 -4.152 23.528 1.00 0.00 O ATOM 1024 CB SER A 69 23.733 -1.121 23.653 1.00 0.00 C ATOM 1025 OG SER A 69 25.106 -0.890 23.885 1.00 0.00 O ATOM 0 H SER A 69 21.866 -2.487 21.812 1.00 0.00 H new ATOM 0 HA SER A 69 24.552 -2.938 22.823 1.00 0.00 H new ATOM 0 HB2 SER A 69 23.324 -0.347 23.003 1.00 0.00 H new ATOM 0 HB3 SER A 69 23.178 -1.077 24.590 1.00 0.00 H new ATOM 0 HG SER A 69 25.224 -0.009 24.299 1.00 0.00 H new ATOM 1031 N LYS A 70 23.191 -3.495 25.198 1.00 0.00 N ATOM 1032 CA LYS A 70 22.480 -4.304 26.171 1.00 0.00 C ATOM 1033 C LYS A 70 21.253 -3.586 26.715 1.00 0.00 C ATOM 1034 O LYS A 70 21.241 -3.221 27.871 1.00 0.00 O ATOM 1035 CB LYS A 70 23.489 -4.719 27.250 1.00 0.00 C ATOM 1036 CG LYS A 70 23.627 -6.240 27.277 1.00 0.00 C ATOM 1037 CD LYS A 70 22.696 -6.836 28.339 1.00 0.00 C ATOM 1038 CE LYS A 70 22.906 -8.351 28.429 1.00 0.00 C ATOM 1039 NZ LYS A 70 21.648 -9.031 28.814 1.00 0.00 N ATOM 0 H LYS A 70 23.982 -2.978 25.582 1.00 0.00 H new ATOM 0 HA LYS A 70 22.075 -5.204 25.708 1.00 0.00 H new ATOM 0 HB2 LYS A 70 24.458 -4.261 27.050 1.00 0.00 H new ATOM 0 HB3 LYS A 70 23.161 -4.358 28.225 1.00 0.00 H new ATOM 0 HG2 LYS A 70 23.385 -6.652 26.297 1.00 0.00 H new ATOM 0 HG3 LYS A 70 24.660 -6.515 27.492 1.00 0.00 H new ATOM 0 HD2 LYS A 70 22.893 -6.375 29.307 1.00 0.00 H new ATOM 0 HD3 LYS A 70 21.658 -6.619 28.088 1.00 0.00 H new ATOM 0 HE2 LYS A 70 23.253 -8.733 27.469 1.00 0.00 H new ATOM 0 HE3 LYS A 70 23.684 -8.573 29.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 21.811 -10.057 28.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 21.333 -8.680 29.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 20.916 -8.835 28.102 1.00 0.00 H new ATOM 1053 N ASP A 71 20.229 -3.429 25.887 1.00 0.00 N ATOM 1054 CA ASP A 71 18.976 -2.772 26.271 1.00 0.00 C ATOM 1055 C ASP A 71 17.993 -2.825 25.113 1.00 0.00 C ATOM 1056 O ASP A 71 16.818 -3.084 25.321 1.00 0.00 O ATOM 1057 CB ASP A 71 19.238 -1.291 26.620 1.00 0.00 C ATOM 1058 CG ASP A 71 18.968 -0.963 28.096 1.00 0.00 C ATOM 1059 OD1 ASP A 71 17.780 -0.727 28.412 1.00 0.00 O ATOM 1060 OD2 ASP A 71 19.937 -0.890 28.881 1.00 0.00 O ATOM 0 H ASP A 71 20.240 -3.755 24.921 1.00 0.00 H new ATOM 0 HA ASP A 71 18.566 -3.290 27.138 1.00 0.00 H new ATOM 0 HB2 ASP A 71 20.273 -1.046 26.383 1.00 0.00 H new ATOM 0 HB3 ASP A 71 18.609 -0.659 25.993 1.00 0.00 H new ATOM 1065 N GLY A 72 18.498 -2.597 23.899 1.00 0.00 N ATOM 1066 CA GLY A 72 17.694 -2.566 22.702 1.00 0.00 C ATOM 1067 C GLY A 72 17.825 -1.216 22.030 1.00 0.00 C ATOM 1068 O GLY A 72 18.603 -1.080 21.100 1.00 0.00 O ATOM 0 H GLY A 72 19.490 -2.428 23.730 1.00 0.00 H new ATOM 0 HA2 GLY A 72 18.011 -3.354 22.019 1.00 0.00 H new ATOM 0 HA3 GLY A 72 16.650 -2.759 22.949 1.00 0.00 H new ATOM 1072 N ASN A 73 17.169 -0.200 22.559 1.00 0.00 N ATOM 1073 CA ASN A 73 17.106 1.138 21.985 1.00 0.00 C ATOM 1074 C ASN A 73 17.587 2.094 23.049 1.00 0.00 C ATOM 1075 O ASN A 73 16.817 2.921 23.520 1.00 0.00 O ATOM 1076 CB ASN A 73 15.679 1.528 21.574 1.00 0.00 C ATOM 1077 CG ASN A 73 14.698 1.071 22.615 1.00 0.00 C ATOM 1078 OD1 ASN A 73 14.508 -0.119 22.830 1.00 0.00 O ATOM 1079 ND2 ASN A 73 14.112 2.005 23.323 1.00 0.00 N ATOM 0 H ASN A 73 16.646 -0.283 23.431 1.00 0.00 H new ATOM 0 HA ASN A 73 17.720 1.171 21.085 1.00 0.00 H new ATOM 0 HB2 ASN A 73 15.611 2.609 21.449 1.00 0.00 H new ATOM 0 HB3 ASN A 73 15.434 1.080 20.611 1.00 0.00 H new ATOM 0 HD21 ASN A 73 13.476 1.749 24.079 1.00 0.00 H new ATOM 0 HD22 ASN A 73 14.291 2.988 23.119 1.00 0.00 H new ATOM 1086 N GLY A 74 18.832 1.944 23.481 1.00 0.00 N ATOM 1087 CA GLY A 74 19.427 2.828 24.481 1.00 0.00 C ATOM 1088 C GLY A 74 19.330 4.319 24.128 1.00 0.00 C ATOM 1089 O GLY A 74 18.320 4.984 24.342 1.00 0.00 O ATOM 0 H GLY A 74 19.458 1.210 23.151 1.00 0.00 H new ATOM 0 HA2 GLY A 74 18.936 2.659 25.440 1.00 0.00 H new ATOM 0 HA3 GLY A 74 20.476 2.562 24.609 1.00 0.00 H new ATOM 1093 N LYS A 75 20.434 4.898 23.668 1.00 0.00 N ATOM 1094 CA LYS A 75 20.410 6.286 23.223 1.00 0.00 C ATOM 1095 C LYS A 75 19.668 6.420 21.893 1.00 0.00 C ATOM 1096 O LYS A 75 18.450 6.393 21.818 1.00 0.00 O ATOM 1097 CB LYS A 75 21.851 6.812 23.194 1.00 0.00 C ATOM 1098 CG LYS A 75 22.293 7.226 24.601 1.00 0.00 C ATOM 1099 CD LYS A 75 23.083 8.538 24.526 1.00 0.00 C ATOM 1100 CE LYS A 75 23.479 8.995 25.934 1.00 0.00 C ATOM 1101 NZ LYS A 75 22.579 10.068 26.417 1.00 0.00 N ATOM 0 H LYS A 75 21.341 4.438 23.594 1.00 0.00 H new ATOM 0 HA LYS A 75 19.849 6.909 23.920 1.00 0.00 H new ATOM 0 HB2 LYS A 75 22.519 6.042 22.807 1.00 0.00 H new ATOM 0 HB3 LYS A 75 21.921 7.664 22.518 1.00 0.00 H new ATOM 0 HG2 LYS A 75 21.422 7.350 25.245 1.00 0.00 H new ATOM 0 HG3 LYS A 75 22.909 6.444 25.045 1.00 0.00 H new ATOM 0 HD2 LYS A 75 23.975 8.400 23.916 1.00 0.00 H new ATOM 0 HD3 LYS A 75 22.481 9.307 24.041 1.00 0.00 H new ATOM 0 HE2 LYS A 75 23.441 8.148 26.619 1.00 0.00 H new ATOM 0 HE3 LYS A 75 24.508 9.354 25.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 22.868 10.360 27.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 22.635 10.884 25.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 21.601 9.715 26.444 1.00 0.00 H new ATOM 1115 N THR A 76 20.413 6.625 20.820 1.00 0.00 N ATOM 1116 CA THR A 76 19.857 6.765 19.485 1.00 0.00 C ATOM 1117 C THR A 76 20.101 5.515 18.668 1.00 0.00 C ATOM 1118 O THR A 76 20.093 5.598 17.448 1.00 0.00 O ATOM 1119 CB THR A 76 20.385 8.056 18.833 1.00 0.00 C ATOM 1120 OG1 THR A 76 19.320 8.723 18.194 1.00 0.00 O ATOM 1121 CG2 THR A 76 21.527 7.883 17.823 1.00 0.00 C ATOM 0 H THR A 76 21.430 6.700 20.851 1.00 0.00 H new ATOM 0 HA THR A 76 18.773 6.868 19.539 1.00 0.00 H new ATOM 0 HB THR A 76 20.809 8.629 19.658 1.00 0.00 H new ATOM 0 HG1 THR A 76 19.652 9.546 17.779 1.00 0.00 H new ATOM 0 HG21 THR A 76 21.816 8.858 17.430 1.00 0.00 H new ATOM 0 HG22 THR A 76 22.383 7.423 18.317 1.00 0.00 H new ATOM 0 HG23 THR A 76 21.195 7.245 17.004 1.00 0.00 H new ATOM 1129 N ASP A 77 20.393 4.386 19.319 1.00 0.00 N ATOM 1130 CA ASP A 77 20.707 3.114 18.695 1.00 0.00 C ATOM 1131 C ASP A 77 19.986 2.975 17.378 1.00 0.00 C ATOM 1132 O ASP A 77 18.808 2.709 17.361 1.00 0.00 O ATOM 1133 CB ASP A 77 20.275 1.934 19.575 1.00 0.00 C ATOM 1134 CG ASP A 77 21.009 1.852 20.920 1.00 0.00 C ATOM 1135 OD1 ASP A 77 21.245 2.934 21.524 1.00 0.00 O ATOM 1136 OD2 ASP A 77 21.303 0.722 21.366 1.00 0.00 O ATOM 0 H ASP A 77 20.416 4.340 20.338 1.00 0.00 H new ATOM 0 HA ASP A 77 21.787 3.097 18.551 1.00 0.00 H new ATOM 0 HB2 ASP A 77 19.204 2.008 19.762 1.00 0.00 H new ATOM 0 HB3 ASP A 77 20.440 1.007 19.027 1.00 0.00 H new ATOM 1141 N HIS A 78 20.649 3.224 16.254 1.00 0.00 N ATOM 1142 CA HIS A 78 20.008 3.182 14.938 1.00 0.00 C ATOM 1143 C HIS A 78 19.913 1.755 14.423 1.00 0.00 C ATOM 1144 O HIS A 78 19.718 1.523 13.240 1.00 0.00 O ATOM 1145 CB HIS A 78 20.752 4.093 13.953 1.00 0.00 C ATOM 1146 CG HIS A 78 22.225 3.799 13.788 1.00 0.00 C ATOM 1147 ND1 HIS A 78 23.082 4.488 12.976 1.00 0.00 N ATOM 1148 CD2 HIS A 78 22.962 2.872 14.451 1.00 0.00 C ATOM 1149 CE1 HIS A 78 24.315 3.958 13.120 1.00 0.00 C ATOM 1150 NE2 HIS A 78 24.274 3.008 14.068 1.00 0.00 N ATOM 0 H HIS A 78 21.641 3.460 16.225 1.00 0.00 H new ATOM 0 HA HIS A 78 18.989 3.557 15.035 1.00 0.00 H new ATOM 0 HB2 HIS A 78 20.271 4.015 12.978 1.00 0.00 H new ATOM 0 HB3 HIS A 78 20.639 5.126 14.283 1.00 0.00 H new ATOM 0 HD1 HIS A 78 22.833 5.267 12.367 1.00 0.00 H new ATOM 0 HD2 HIS A 78 22.582 2.150 15.159 1.00 0.00 H new ATOM 0 HE1 HIS A 78 25.193 4.251 12.563 1.00 0.00 H new ATOM 1159 N TYR A 79 20.182 0.813 15.313 1.00 0.00 N ATOM 1160 CA TYR A 79 19.973 -0.583 15.111 1.00 0.00 C ATOM 1161 C TYR A 79 18.686 -0.933 14.337 1.00 0.00 C ATOM 1162 O TYR A 79 17.653 -0.274 14.427 1.00 0.00 O ATOM 1163 CB TYR A 79 20.042 -1.254 16.478 1.00 0.00 C ATOM 1164 CG TYR A 79 18.790 -1.133 17.319 1.00 0.00 C ATOM 1165 CD1 TYR A 79 17.954 -0.007 17.250 1.00 0.00 C ATOM 1166 CD2 TYR A 79 18.415 -2.167 18.178 1.00 0.00 C ATOM 1167 CE1 TYR A 79 16.797 0.134 18.007 1.00 0.00 C ATOM 1168 CE2 TYR A 79 17.245 -2.032 18.929 1.00 0.00 C ATOM 1169 CZ TYR A 79 16.448 -0.892 18.867 1.00 0.00 C ATOM 1170 OH TYR A 79 15.322 -0.808 19.585 1.00 0.00 O ATOM 0 H TYR A 79 20.569 1.027 16.232 1.00 0.00 H new ATOM 0 HA TYR A 79 20.757 -0.963 14.456 1.00 0.00 H new ATOM 0 HB2 TYR A 79 20.264 -2.312 16.335 1.00 0.00 H new ATOM 0 HB3 TYR A 79 20.876 -0.826 17.033 1.00 0.00 H new ATOM 0 HD1 TYR A 79 18.224 0.791 16.574 1.00 0.00 H new ATOM 0 HD2 TYR A 79 19.020 -3.058 18.261 1.00 0.00 H new ATOM 0 HE1 TYR A 79 16.186 1.021 17.926 1.00 0.00 H new ATOM 0 HE2 TYR A 79 16.948 -2.840 19.581 1.00 0.00 H new ATOM 0 HH TYR A 79 14.694 -0.202 19.139 1.00 0.00 H new ATOM 1180 N LEU A 80 18.771 -1.931 13.474 1.00 0.00 N ATOM 1181 CA LEU A 80 17.570 -2.338 12.760 1.00 0.00 C ATOM 1182 C LEU A 80 16.702 -3.170 13.672 1.00 0.00 C ATOM 1183 O LEU A 80 17.231 -3.757 14.605 1.00 0.00 O ATOM 1184 CB LEU A 80 18.019 -3.116 11.533 1.00 0.00 C ATOM 1185 CG LEU A 80 17.960 -2.227 10.286 1.00 0.00 C ATOM 1186 CD1 LEU A 80 19.234 -2.363 9.458 1.00 0.00 C ATOM 1187 CD2 LEU A 80 16.756 -2.600 9.446 1.00 0.00 C ATOM 0 H LEU A 80 19.618 -2.455 13.256 1.00 0.00 H new ATOM 0 HA LEU A 80 16.974 -1.482 12.445 1.00 0.00 H new ATOM 0 HB2 LEU A 80 19.035 -3.482 11.679 1.00 0.00 H new ATOM 0 HB3 LEU A 80 17.382 -3.990 11.395 1.00 0.00 H new ATOM 0 HG LEU A 80 17.871 -1.189 10.608 1.00 0.00 H new ATOM 0 HD11 LEU A 80 19.167 -1.722 8.579 1.00 0.00 H new ATOM 0 HD12 LEU A 80 20.093 -2.065 10.060 1.00 0.00 H new ATOM 0 HD13 LEU A 80 19.354 -3.400 9.143 1.00 0.00 H new ATOM 0 HD21 LEU A 80 16.719 -1.965 8.561 1.00 0.00 H new ATOM 0 HD22 LEU A 80 16.834 -3.643 9.141 1.00 0.00 H new ATOM 0 HD23 LEU A 80 15.847 -2.460 10.031 1.00 0.00 H new ATOM 1199 N LEU A 81 15.406 -3.263 13.392 1.00 0.00 N ATOM 1200 CA LEU A 81 14.471 -4.049 14.179 1.00 0.00 C ATOM 1201 C LEU A 81 13.449 -4.666 13.243 1.00 0.00 C ATOM 1202 O LEU A 81 12.901 -4.001 12.367 1.00 0.00 O ATOM 1203 CB LEU A 81 13.773 -3.169 15.230 1.00 0.00 C ATOM 1204 CG LEU A 81 14.716 -2.484 16.240 1.00 0.00 C ATOM 1205 CD1 LEU A 81 14.483 -0.977 16.254 1.00 0.00 C ATOM 1206 CD2 LEU A 81 14.623 -3.125 17.618 1.00 0.00 C ATOM 0 H LEU A 81 14.973 -2.787 12.601 1.00 0.00 H new ATOM 0 HA LEU A 81 15.010 -4.835 14.708 1.00 0.00 H new ATOM 0 HB2 LEU A 81 13.198 -2.400 14.714 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.061 -3.783 15.781 1.00 0.00 H new ATOM 0 HG LEU A 81 15.746 -2.638 15.917 1.00 0.00 H new ATOM 0 HD11 LEU A 81 15.157 -0.511 16.973 1.00 0.00 H new ATOM 0 HD12 LEU A 81 14.674 -0.570 15.261 1.00 0.00 H new ATOM 0 HD13 LEU A 81 13.451 -0.771 16.539 1.00 0.00 H new ATOM 0 HD21 LEU A 81 15.301 -2.616 18.303 1.00 0.00 H new ATOM 0 HD22 LEU A 81 13.602 -3.041 17.990 1.00 0.00 H new ATOM 0 HD23 LEU A 81 14.899 -4.177 17.549 1.00 0.00 H new ATOM 1218 N GLU A 82 13.259 -5.965 13.379 1.00 0.00 N ATOM 1219 CA GLU A 82 12.308 -6.717 12.597 1.00 0.00 C ATOM 1220 C GLU A 82 10.997 -6.908 13.350 1.00 0.00 C ATOM 1221 O GLU A 82 10.944 -7.087 14.574 1.00 0.00 O ATOM 1222 CB GLU A 82 12.925 -8.070 12.203 1.00 0.00 C ATOM 1223 CG GLU A 82 13.017 -9.095 13.294 1.00 0.00 C ATOM 1224 CD GLU A 82 14.265 -8.942 14.156 1.00 0.00 C ATOM 1225 OE1 GLU A 82 14.272 -7.985 14.932 1.00 0.00 O ATOM 1226 OE2 GLU A 82 15.064 -9.916 14.141 1.00 0.00 O ATOM 0 H GLU A 82 13.774 -6.534 14.051 1.00 0.00 H new ATOM 0 HA GLU A 82 12.076 -6.156 11.692 1.00 0.00 H new ATOM 0 HB2 GLU A 82 12.338 -8.490 11.386 1.00 0.00 H new ATOM 0 HB3 GLU A 82 13.928 -7.890 11.816 1.00 0.00 H new ATOM 0 HG2 GLU A 82 12.134 -9.022 13.928 1.00 0.00 H new ATOM 0 HG3 GLU A 82 13.009 -10.091 12.850 1.00 0.00 H new ATOM 1233 N PHE A 83 9.927 -7.030 12.580 1.00 0.00 N ATOM 1234 CA PHE A 83 8.611 -7.188 13.162 1.00 0.00 C ATOM 1235 C PHE A 83 7.760 -8.178 12.364 1.00 0.00 C ATOM 1236 O PHE A 83 7.733 -8.102 11.136 1.00 0.00 O ATOM 1237 CB PHE A 83 7.927 -5.839 13.227 1.00 0.00 C ATOM 1238 CG PHE A 83 6.600 -5.855 13.915 1.00 0.00 C ATOM 1239 CD1 PHE A 83 6.541 -6.018 15.306 1.00 0.00 C ATOM 1240 CD2 PHE A 83 5.427 -5.744 13.157 1.00 0.00 C ATOM 1241 CE1 PHE A 83 5.314 -6.042 15.981 1.00 0.00 C ATOM 1242 CE2 PHE A 83 4.204 -5.765 13.836 1.00 0.00 C ATOM 1243 CZ PHE A 83 4.156 -5.887 15.222 1.00 0.00 C ATOM 0 H PHE A 83 9.947 -7.022 11.560 1.00 0.00 H new ATOM 0 HA PHE A 83 8.724 -7.592 14.168 1.00 0.00 H new ATOM 0 HB2 PHE A 83 8.582 -5.137 13.743 1.00 0.00 H new ATOM 0 HB3 PHE A 83 7.793 -5.463 12.213 1.00 0.00 H new ATOM 0 HD1 PHE A 83 7.457 -6.127 15.867 1.00 0.00 H new ATOM 0 HD2 PHE A 83 5.466 -5.645 12.082 1.00 0.00 H new ATOM 0 HE1 PHE A 83 5.267 -6.176 17.052 1.00 0.00 H new ATOM 0 HE2 PHE A 83 3.284 -5.685 13.277 1.00 0.00 H new ATOM 0 HZ PHE A 83 3.198 -5.861 15.721 1.00 0.00 H new ATOM 1253 N PRO A 84 7.122 -9.159 13.021 1.00 0.00 N ATOM 1254 CA PRO A 84 6.330 -10.179 12.377 1.00 0.00 C ATOM 1255 C PRO A 84 5.007 -9.594 11.948 1.00 0.00 C ATOM 1256 O PRO A 84 4.071 -9.497 12.737 1.00 0.00 O ATOM 1257 CB PRO A 84 6.181 -11.328 13.360 1.00 0.00 C ATOM 1258 CG PRO A 84 6.518 -10.725 14.717 1.00 0.00 C ATOM 1259 CD PRO A 84 7.169 -9.381 14.438 1.00 0.00 C ATOM 0 HA PRO A 84 6.806 -10.557 11.473 1.00 0.00 H new ATOM 0 HB2 PRO A 84 5.168 -11.731 13.347 1.00 0.00 H new ATOM 0 HB3 PRO A 84 6.854 -12.149 13.114 1.00 0.00 H new ATOM 0 HG2 PRO A 84 5.620 -10.603 15.322 1.00 0.00 H new ATOM 0 HG3 PRO A 84 7.192 -11.375 15.274 1.00 0.00 H new ATOM 0 HD2 PRO A 84 6.645 -8.585 14.967 1.00 0.00 H new ATOM 0 HD3 PRO A 84 8.200 -9.375 14.792 1.00 0.00 H new ATOM 1267 N THR A 85 4.948 -9.208 10.677 1.00 0.00 N ATOM 1268 CA THR A 85 3.758 -8.634 10.087 1.00 0.00 C ATOM 1269 C THR A 85 3.011 -9.660 9.261 1.00 0.00 C ATOM 1270 O THR A 85 3.501 -10.178 8.258 1.00 0.00 O ATOM 1271 CB THR A 85 4.101 -7.383 9.289 1.00 0.00 C ATOM 1272 OG1 THR A 85 2.910 -6.813 8.822 1.00 0.00 O ATOM 1273 CG2 THR A 85 4.937 -7.672 8.047 1.00 0.00 C ATOM 0 H THR A 85 5.732 -9.288 10.030 1.00 0.00 H new ATOM 0 HA THR A 85 3.086 -8.328 10.889 1.00 0.00 H new ATOM 0 HB THR A 85 4.667 -6.735 9.958 1.00 0.00 H new ATOM 0 HG1 THR A 85 2.775 -7.061 7.884 1.00 0.00 H new ATOM 0 HG21 THR A 85 5.146 -6.739 7.524 1.00 0.00 H new ATOM 0 HG22 THR A 85 5.876 -8.142 8.341 1.00 0.00 H new ATOM 0 HG23 THR A 85 4.387 -8.343 7.386 1.00 0.00 H new ATOM 1281 N PHE A 86 1.800 -9.973 9.686 1.00 0.00 N ATOM 1282 CA PHE A 86 0.972 -10.926 8.982 1.00 0.00 C ATOM 1283 C PHE A 86 0.238 -10.288 7.798 1.00 0.00 C ATOM 1284 O PHE A 86 0.030 -9.070 7.769 1.00 0.00 O ATOM 1285 CB PHE A 86 -0.043 -11.488 9.969 1.00 0.00 C ATOM 1286 CG PHE A 86 0.598 -12.102 11.170 1.00 0.00 C ATOM 1287 CD1 PHE A 86 1.395 -13.252 11.039 1.00 0.00 C ATOM 1288 CD2 PHE A 86 0.392 -11.518 12.421 1.00 0.00 C ATOM 1289 CE1 PHE A 86 1.968 -13.834 12.182 1.00 0.00 C ATOM 1290 CE2 PHE A 86 0.933 -12.144 13.551 1.00 0.00 C ATOM 1291 CZ PHE A 86 1.751 -13.261 13.439 1.00 0.00 C ATOM 0 H PHE A 86 1.369 -9.576 10.521 1.00 0.00 H new ATOM 0 HA PHE A 86 1.609 -11.713 8.579 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -0.713 -10.690 10.288 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -0.656 -12.237 9.467 1.00 0.00 H new ATOM 0 HD1 PHE A 86 1.566 -13.686 10.065 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -0.173 -10.602 12.516 1.00 0.00 H new ATOM 0 HE1 PHE A 86 2.575 -14.722 12.090 1.00 0.00 H new ATOM 0 HE2 PHE A 86 0.709 -11.750 14.531 1.00 0.00 H new ATOM 0 HZ PHE A 86 2.216 -13.684 14.317 1.00 0.00 H new ATOM 1301 N PRO A 87 -0.214 -11.114 6.838 1.00 0.00 N ATOM 1302 CA PRO A 87 -0.928 -10.634 5.678 1.00 0.00 C ATOM 1303 C PRO A 87 -2.352 -10.289 5.981 1.00 0.00 C ATOM 1304 O PRO A 87 -2.792 -9.256 5.475 1.00 0.00 O ATOM 1305 CB PRO A 87 -0.933 -11.773 4.685 1.00 0.00 C ATOM 1306 CG PRO A 87 -0.570 -13.042 5.458 1.00 0.00 C ATOM 1307 CD PRO A 87 -0.062 -12.565 6.808 1.00 0.00 C ATOM 0 HA PRO A 87 -0.442 -9.731 5.310 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -1.913 -11.873 4.218 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -0.216 -11.590 3.885 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -1.437 -13.693 5.573 1.00 0.00 H new ATOM 0 HG3 PRO A 87 0.193 -13.617 4.933 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -0.627 -13.028 7.617 1.00 0.00 H new ATOM 0 HD3 PRO A 87 0.982 -12.845 6.947 1.00 0.00 H new ATOM 1315 N ASP A 88 -3.035 -11.093 6.823 1.00 0.00 N ATOM 1316 CA ASP A 88 -4.412 -10.846 7.294 1.00 0.00 C ATOM 1317 C ASP A 88 -4.598 -9.381 7.678 1.00 0.00 C ATOM 1318 O ASP A 88 -5.651 -8.786 7.496 1.00 0.00 O ATOM 1319 CB ASP A 88 -4.708 -11.681 8.544 1.00 0.00 C ATOM 1320 CG ASP A 88 -5.440 -12.978 8.256 1.00 0.00 C ATOM 1321 OD1 ASP A 88 -6.668 -12.903 8.064 1.00 0.00 O ATOM 1322 OD2 ASP A 88 -4.735 -14.004 8.350 1.00 0.00 O ATOM 0 H ASP A 88 -2.634 -11.951 7.202 1.00 0.00 H new ATOM 0 HA ASP A 88 -5.084 -11.116 6.479 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -3.769 -11.909 9.048 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -5.304 -11.085 9.235 1.00 0.00 H new ATOM 1327 N GLY A 89 -3.518 -8.765 8.149 1.00 0.00 N ATOM 1328 CA GLY A 89 -3.485 -7.372 8.496 1.00 0.00 C ATOM 1329 C GLY A 89 -3.959 -7.181 9.921 1.00 0.00 C ATOM 1330 O GLY A 89 -4.270 -6.057 10.312 1.00 0.00 O ATOM 0 H GLY A 89 -2.629 -9.242 8.299 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.472 -6.986 8.386 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -4.118 -6.804 7.814 1.00 0.00 H new ATOM 1334 N HIS A 90 -4.041 -8.284 10.672 1.00 0.00 N ATOM 1335 CA HIS A 90 -4.463 -8.258 12.048 1.00 0.00 C ATOM 1336 C HIS A 90 -3.292 -7.772 12.880 1.00 0.00 C ATOM 1337 O HIS A 90 -2.169 -8.244 12.692 1.00 0.00 O ATOM 1338 CB HIS A 90 -5.005 -9.636 12.458 1.00 0.00 C ATOM 1339 CG HIS A 90 -4.002 -10.770 12.497 1.00 0.00 C ATOM 1340 ND1 HIS A 90 -3.988 -11.831 11.613 1.00 0.00 N ATOM 1341 CD2 HIS A 90 -2.984 -10.949 13.396 1.00 0.00 C ATOM 1342 CE1 HIS A 90 -2.959 -12.631 11.956 1.00 0.00 C ATOM 1343 NE2 HIS A 90 -2.344 -12.118 13.044 1.00 0.00 N ATOM 0 H HIS A 90 -3.812 -9.216 10.327 1.00 0.00 H new ATOM 0 HA HIS A 90 -5.291 -7.568 12.211 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -5.457 -9.545 13.446 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -5.802 -9.909 11.767 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -2.732 -10.300 14.221 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -2.672 -13.537 11.443 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -1.542 -12.527 13.524 1.00 0.00 H new ATOM 1352 N ASP A 91 -3.535 -6.788 13.737 1.00 0.00 N ATOM 1353 CA ASP A 91 -2.546 -6.262 14.669 1.00 0.00 C ATOM 1354 C ASP A 91 -2.059 -7.373 15.581 1.00 0.00 C ATOM 1355 O ASP A 91 -2.756 -7.724 16.528 1.00 0.00 O ATOM 1356 CB ASP A 91 -3.175 -5.153 15.516 1.00 0.00 C ATOM 1357 CG ASP A 91 -2.127 -4.477 16.390 1.00 0.00 C ATOM 1358 OD1 ASP A 91 -1.067 -4.193 15.789 1.00 0.00 O ATOM 1359 OD2 ASP A 91 -2.428 -4.125 17.545 1.00 0.00 O ATOM 0 H ASP A 91 -4.441 -6.325 13.805 1.00 0.00 H new ATOM 0 HA ASP A 91 -1.705 -5.859 14.106 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -3.643 -4.414 14.866 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -3.963 -5.571 16.143 1.00 0.00 H new ATOM 1364 N TYR A 92 -0.987 -8.061 15.180 1.00 0.00 N ATOM 1365 CA TYR A 92 -0.421 -9.183 15.897 1.00 0.00 C ATOM 1366 C TYR A 92 -0.488 -8.908 17.400 1.00 0.00 C ATOM 1367 O TYR A 92 -0.274 -7.805 17.867 1.00 0.00 O ATOM 1368 CB TYR A 92 1.014 -9.350 15.391 1.00 0.00 C ATOM 1369 CG TYR A 92 1.865 -10.256 16.249 1.00 0.00 C ATOM 1370 CD1 TYR A 92 1.310 -11.416 16.830 1.00 0.00 C ATOM 1371 CD2 TYR A 92 3.202 -9.917 16.493 1.00 0.00 C ATOM 1372 CE1 TYR A 92 2.089 -12.235 17.656 1.00 0.00 C ATOM 1373 CE2 TYR A 92 3.984 -10.745 17.323 1.00 0.00 C ATOM 1374 CZ TYR A 92 3.431 -11.911 17.868 1.00 0.00 C ATOM 1375 OH TYR A 92 4.205 -12.743 18.582 1.00 0.00 O ATOM 0 H TYR A 92 -0.482 -7.839 14.322 1.00 0.00 H new ATOM 0 HA TYR A 92 -0.971 -10.109 15.726 1.00 0.00 H new ATOM 0 HB2 TYR A 92 0.987 -9.747 14.376 1.00 0.00 H new ATOM 0 HB3 TYR A 92 1.486 -8.369 15.337 1.00 0.00 H new ATOM 0 HD1 TYR A 92 0.279 -11.673 16.636 1.00 0.00 H new ATOM 0 HD2 TYR A 92 3.629 -9.030 16.049 1.00 0.00 H new ATOM 0 HE1 TYR A 92 1.657 -13.107 18.124 1.00 0.00 H new ATOM 0 HE2 TYR A 92 5.009 -10.481 17.539 1.00 0.00 H new ATOM 0 HH TYR A 92 3.836 -13.650 18.540 1.00 0.00 H new ATOM 1385 N LYS A 93 -0.811 -9.900 18.200 1.00 0.00 N ATOM 1386 CA LYS A 93 -0.793 -9.743 19.637 1.00 0.00 C ATOM 1387 C LYS A 93 0.641 -9.801 20.160 1.00 0.00 C ATOM 1388 O LYS A 93 1.025 -10.730 20.863 1.00 0.00 O ATOM 1389 CB LYS A 93 -1.722 -10.777 20.241 1.00 0.00 C ATOM 1390 CG LYS A 93 -1.500 -12.175 19.635 1.00 0.00 C ATOM 1391 CD LYS A 93 -2.035 -13.244 20.576 1.00 0.00 C ATOM 1392 CE LYS A 93 -3.532 -13.074 20.813 1.00 0.00 C ATOM 1393 NZ LYS A 93 -3.913 -13.683 22.092 1.00 0.00 N ATOM 0 H LYS A 93 -1.090 -10.827 17.878 1.00 0.00 H new ATOM 0 HA LYS A 93 -1.164 -8.763 19.936 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -1.565 -10.820 21.319 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -2.756 -10.473 20.081 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -2.001 -12.245 18.670 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -0.437 -12.337 19.455 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -1.841 -14.231 20.157 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -1.506 -13.192 21.527 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -3.790 -12.015 20.815 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -4.092 -13.537 20.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -4.849 -14.128 22.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -3.212 -14.404 22.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -3.949 -12.950 22.829 1.00 0.00 H new ATOM 1407 N PHE A 94 1.451 -8.835 19.766 1.00 0.00 N ATOM 1408 CA PHE A 94 2.810 -8.696 20.230 1.00 0.00 C ATOM 1409 C PHE A 94 2.894 -8.044 21.598 1.00 0.00 C ATOM 1410 O PHE A 94 3.933 -8.133 22.242 1.00 0.00 O ATOM 1411 CB PHE A 94 3.596 -7.863 19.226 1.00 0.00 C ATOM 1412 CG PHE A 94 2.927 -6.590 18.787 1.00 0.00 C ATOM 1413 CD1 PHE A 94 3.052 -5.418 19.534 1.00 0.00 C ATOM 1414 CD2 PHE A 94 2.125 -6.602 17.649 1.00 0.00 C ATOM 1415 CE1 PHE A 94 2.372 -4.254 19.116 1.00 0.00 C ATOM 1416 CE2 PHE A 94 1.419 -5.459 17.241 1.00 0.00 C ATOM 1417 CZ PHE A 94 1.550 -4.277 17.975 1.00 0.00 C ATOM 0 H PHE A 94 1.172 -8.113 19.101 1.00 0.00 H new ATOM 0 HA PHE A 94 3.231 -9.697 20.320 1.00 0.00 H new ATOM 0 HB2 PHE A 94 4.563 -7.614 19.663 1.00 0.00 H new ATOM 0 HB3 PHE A 94 3.792 -8.474 18.345 1.00 0.00 H new ATOM 0 HD1 PHE A 94 3.664 -5.402 20.424 1.00 0.00 H new ATOM 0 HD2 PHE A 94 2.044 -7.509 17.068 1.00 0.00 H new ATOM 0 HE1 PHE A 94 2.484 -3.338 19.677 1.00 0.00 H new ATOM 0 HE2 PHE A 94 0.782 -5.493 16.370 1.00 0.00 H new ATOM 0 HZ PHE A 94 1.023 -3.386 17.668 1.00 0.00 H new ATOM 1427 N ASP A 95 1.798 -7.460 22.065 1.00 0.00 N ATOM 1428 CA ASP A 95 1.723 -6.788 23.356 1.00 0.00 C ATOM 1429 C ASP A 95 1.228 -7.765 24.423 1.00 0.00 C ATOM 1430 O ASP A 95 1.619 -7.721 25.583 1.00 0.00 O ATOM 1431 CB ASP A 95 0.713 -5.632 23.261 1.00 0.00 C ATOM 1432 CG ASP A 95 1.264 -4.351 23.881 1.00 0.00 C ATOM 1433 OD1 ASP A 95 1.160 -4.228 25.120 1.00 0.00 O ATOM 1434 OD2 ASP A 95 1.813 -3.541 23.104 1.00 0.00 O ATOM 0 H ASP A 95 0.919 -7.440 21.547 1.00 0.00 H new ATOM 0 HA ASP A 95 2.713 -6.417 23.622 1.00 0.00 H new ATOM 0 HB2 ASP A 95 0.463 -5.452 22.216 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -0.211 -5.913 23.766 1.00 0.00 H new ATOM 1439 N SER A 96 0.356 -8.697 24.032 1.00 0.00 N ATOM 1440 CA SER A 96 -0.169 -9.702 24.938 1.00 0.00 C ATOM 1441 C SER A 96 0.823 -10.838 25.066 1.00 0.00 C ATOM 1442 O SER A 96 1.026 -11.600 24.127 1.00 0.00 O ATOM 1443 CB SER A 96 -1.521 -10.217 24.443 1.00 0.00 C ATOM 1444 OG SER A 96 -2.573 -9.485 25.045 1.00 0.00 O ATOM 0 H SER A 96 -0.001 -8.770 23.079 1.00 0.00 H new ATOM 0 HA SER A 96 -0.320 -9.253 25.920 1.00 0.00 H new ATOM 0 HB2 SER A 96 -1.578 -10.125 23.358 1.00 0.00 H new ATOM 0 HB3 SER A 96 -1.624 -11.276 24.679 1.00 0.00 H new ATOM 0 HG SER A 96 -3.434 -9.822 24.720 1.00 0.00 H new ATOM 1450 N LYS A 97 1.447 -10.960 26.239 1.00 0.00 N ATOM 1451 CA LYS A 97 2.396 -12.041 26.497 1.00 0.00 C ATOM 1452 C LYS A 97 1.716 -13.394 26.301 1.00 0.00 C ATOM 1453 O LYS A 97 2.247 -14.294 25.652 1.00 0.00 O ATOM 1454 CB LYS A 97 3.026 -11.855 27.890 1.00 0.00 C ATOM 1455 CG LYS A 97 2.213 -12.507 29.021 1.00 0.00 C ATOM 1456 CD LYS A 97 2.889 -12.382 30.367 1.00 0.00 C ATOM 1457 CE LYS A 97 1.974 -12.957 31.460 1.00 0.00 C ATOM 1458 NZ LYS A 97 2.062 -12.123 32.677 1.00 0.00 N ATOM 0 H LYS A 97 1.311 -10.323 27.024 1.00 0.00 H new ATOM 0 HA LYS A 97 3.216 -12.010 25.780 1.00 0.00 H new ATOM 0 HB2 LYS A 97 4.031 -12.277 27.885 1.00 0.00 H new ATOM 0 HB3 LYS A 97 3.129 -10.789 28.095 1.00 0.00 H new ATOM 0 HG2 LYS A 97 1.227 -12.044 29.069 1.00 0.00 H new ATOM 0 HG3 LYS A 97 2.059 -13.562 28.792 1.00 0.00 H new ATOM 0 HD2 LYS A 97 3.840 -12.914 30.358 1.00 0.00 H new ATOM 0 HD3 LYS A 97 3.111 -11.336 30.578 1.00 0.00 H new ATOM 0 HE2 LYS A 97 0.944 -12.990 31.105 1.00 0.00 H new ATOM 0 HE3 LYS A 97 2.265 -13.982 31.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 1.441 -12.516 33.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 3.043 -12.113 33.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 1.763 -11.152 32.455 1.00 0.00 H new ATOM 1472 N LYS A 98 0.544 -13.542 26.929 1.00 0.00 N ATOM 1473 CA LYS A 98 -0.223 -14.756 26.936 1.00 0.00 C ATOM 1474 C LYS A 98 -1.726 -14.431 26.819 1.00 0.00 C ATOM 1475 O LYS A 98 -2.236 -13.675 27.648 1.00 0.00 O ATOM 1476 CB LYS A 98 0.143 -15.678 28.105 1.00 0.00 C ATOM 1477 CG LYS A 98 -0.895 -16.805 28.280 1.00 0.00 C ATOM 1478 CD LYS A 98 -0.235 -18.119 28.690 1.00 0.00 C ATOM 1479 CE LYS A 98 -1.256 -19.265 28.622 1.00 0.00 C ATOM 1480 NZ LYS A 98 -1.436 -19.885 29.952 1.00 0.00 N ATOM 0 H LYS A 98 0.105 -12.788 27.457 1.00 0.00 H new ATOM 0 HA LYS A 98 0.038 -15.343 26.056 1.00 0.00 H new ATOM 0 HB2 LYS A 98 1.128 -16.112 27.933 1.00 0.00 H new ATOM 0 HB3 LYS A 98 0.207 -15.095 29.024 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -1.626 -16.513 29.034 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -1.440 -16.947 27.347 1.00 0.00 H new ATOM 0 HD2 LYS A 98 0.608 -18.333 28.033 1.00 0.00 H new ATOM 0 HD3 LYS A 98 0.163 -18.035 29.701 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -2.212 -18.886 28.260 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -0.920 -20.016 27.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -2.130 -20.657 29.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -0.527 -20.265 30.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -1.779 -19.170 30.625 1.00 0.00 H new ATOM 1494 N PRO A 99 -2.405 -15.055 25.831 1.00 0.00 N ATOM 1495 CA PRO A 99 -1.766 -15.940 24.860 1.00 0.00 C ATOM 1496 C PRO A 99 -0.915 -15.140 23.882 1.00 0.00 C ATOM 1497 O PRO A 99 -0.905 -13.915 23.914 1.00 0.00 O ATOM 1498 CB PRO A 99 -2.860 -16.736 24.201 1.00 0.00 C ATOM 1499 CG PRO A 99 -4.145 -15.946 24.485 1.00 0.00 C ATOM 1500 CD PRO A 99 -3.824 -14.895 25.555 1.00 0.00 C ATOM 0 HA PRO A 99 -1.071 -16.631 25.337 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -2.686 -16.836 23.130 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -2.917 -17.745 24.610 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -4.507 -15.467 23.576 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -4.935 -16.613 24.830 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -4.045 -13.889 25.198 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -4.420 -15.053 26.454 1.00 0.00 H new ATOM 1508 N LYS A 100 -0.223 -15.837 22.994 1.00 0.00 N ATOM 1509 CA LYS A 100 0.612 -15.227 21.970 1.00 0.00 C ATOM 1510 C LYS A 100 0.479 -16.031 20.693 1.00 0.00 C ATOM 1511 O LYS A 100 0.496 -17.257 20.736 1.00 0.00 O ATOM 1512 CB LYS A 100 2.046 -15.101 22.492 1.00 0.00 C ATOM 1513 CG LYS A 100 3.067 -15.173 21.356 1.00 0.00 C ATOM 1514 CD LYS A 100 4.482 -15.166 21.911 1.00 0.00 C ATOM 1515 CE LYS A 100 5.491 -15.269 20.753 1.00 0.00 C ATOM 1516 NZ LYS A 100 5.665 -16.667 20.334 1.00 0.00 N ATOM 0 H LYS A 100 -0.225 -16.857 22.964 1.00 0.00 H new ATOM 0 HA LYS A 100 0.291 -14.213 21.734 1.00 0.00 H new ATOM 0 HB2 LYS A 100 2.159 -14.156 23.024 1.00 0.00 H new ATOM 0 HB3 LYS A 100 2.244 -15.897 23.210 1.00 0.00 H new ATOM 0 HG2 LYS A 100 2.904 -16.077 20.770 1.00 0.00 H new ATOM 0 HG3 LYS A 100 2.930 -14.327 20.682 1.00 0.00 H new ATOM 0 HD2 LYS A 100 4.656 -14.252 22.479 1.00 0.00 H new ATOM 0 HD3 LYS A 100 4.617 -16.000 22.600 1.00 0.00 H new ATOM 0 HE2 LYS A 100 5.145 -14.672 19.909 1.00 0.00 H new ATOM 0 HE3 LYS A 100 6.451 -14.856 21.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 6.349 -16.713 19.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 6.017 -17.228 21.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 4.752 -17.051 20.017 1.00 0.00 H new ATOM 1530 N GLU A 101 0.334 -15.328 19.580 1.00 0.00 N ATOM 1531 CA GLU A 101 0.268 -15.968 18.276 1.00 0.00 C ATOM 1532 C GLU A 101 1.672 -16.200 17.758 1.00 0.00 C ATOM 1533 O GLU A 101 2.587 -15.448 18.103 1.00 0.00 O ATOM 1534 CB GLU A 101 -0.578 -15.119 17.323 1.00 0.00 C ATOM 1535 CG GLU A 101 -1.516 -16.020 16.517 1.00 0.00 C ATOM 1536 CD GLU A 101 -2.723 -15.222 16.023 1.00 0.00 C ATOM 1537 OE1 GLU A 101 -2.515 -14.068 15.570 1.00 0.00 O ATOM 1538 OE2 GLU A 101 -3.840 -15.749 16.183 1.00 0.00 O ATOM 0 H GLU A 101 0.260 -14.311 19.554 1.00 0.00 H new ATOM 0 HA GLU A 101 -0.218 -16.941 18.354 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.157 -14.390 17.889 1.00 0.00 H new ATOM 0 HB3 GLU A 101 0.070 -14.558 16.649 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -0.981 -16.447 15.668 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -1.850 -16.854 17.135 1.00 0.00 H new ATOM 1545 N ASN A 102 1.851 -17.283 16.995 1.00 0.00 N ATOM 1546 CA ASN A 102 3.122 -17.616 16.362 1.00 0.00 C ATOM 1547 C ASN A 102 3.795 -16.393 15.718 1.00 0.00 C ATOM 1548 O ASN A 102 3.108 -15.494 15.265 1.00 0.00 O ATOM 1549 CB ASN A 102 2.920 -18.686 15.273 1.00 0.00 C ATOM 1550 CG ASN A 102 3.624 -19.979 15.618 1.00 0.00 C ATOM 1551 OD1 ASN A 102 4.666 -20.326 15.106 1.00 0.00 O ATOM 1552 ND2 ASN A 102 3.108 -20.680 16.592 1.00 0.00 N ATOM 0 H ASN A 102 1.109 -17.956 16.801 1.00 0.00 H new ATOM 0 HA ASN A 102 3.769 -17.993 17.154 1.00 0.00 H new ATOM 0 HB2 ASN A 102 1.855 -18.876 15.143 1.00 0.00 H new ATOM 0 HB3 ASN A 102 3.295 -18.311 14.321 1.00 0.00 H new ATOM 0 HD21 ASN A 102 3.582 -21.520 16.922 1.00 0.00 H new ATOM 0 HD22 ASN A 102 2.231 -20.387 17.022 1.00 0.00 H new ATOM 1559 N PRO A 103 5.128 -16.371 15.610 1.00 0.00 N ATOM 1560 CA PRO A 103 5.812 -15.246 15.019 1.00 0.00 C ATOM 1561 C PRO A 103 5.591 -15.207 13.516 1.00 0.00 C ATOM 1562 O PRO A 103 4.728 -14.506 13.028 1.00 0.00 O ATOM 1563 CB PRO A 103 7.264 -15.468 15.386 1.00 0.00 C ATOM 1564 CG PRO A 103 7.419 -16.943 15.782 1.00 0.00 C ATOM 1565 CD PRO A 103 6.010 -17.462 15.969 1.00 0.00 C ATOM 0 HA PRO A 103 5.449 -14.283 15.379 1.00 0.00 H new ATOM 0 HB2 PRO A 103 7.913 -15.227 14.545 1.00 0.00 H new ATOM 0 HB3 PRO A 103 7.555 -14.817 16.210 1.00 0.00 H new ATOM 0 HG2 PRO A 103 7.944 -17.504 15.009 1.00 0.00 H new ATOM 0 HG3 PRO A 103 7.999 -17.044 16.699 1.00 0.00 H new ATOM 0 HD2 PRO A 103 5.829 -18.333 15.339 1.00 0.00 H new ATOM 0 HD3 PRO A 103 5.844 -17.774 17.000 1.00 0.00 H new ATOM 1573 N GLY A 104 6.411 -15.908 12.748 1.00 0.00 N ATOM 1574 CA GLY A 104 6.350 -15.899 11.302 1.00 0.00 C ATOM 1575 C GLY A 104 7.716 -15.615 10.677 1.00 0.00 C ATOM 1576 O GLY A 104 8.581 -15.004 11.318 1.00 0.00 O ATOM 0 H GLY A 104 7.147 -16.507 13.122 1.00 0.00 H new ATOM 0 HA2 GLY A 104 5.982 -16.862 10.948 1.00 0.00 H new ATOM 0 HA3 GLY A 104 5.636 -15.144 10.973 1.00 0.00 H new ATOM 1580 N PRO A 105 7.915 -16.107 9.442 1.00 0.00 N ATOM 1581 CA PRO A 105 9.156 -15.926 8.726 1.00 0.00 C ATOM 1582 C PRO A 105 9.250 -14.510 8.197 1.00 0.00 C ATOM 1583 O PRO A 105 10.196 -13.800 8.521 1.00 0.00 O ATOM 1584 CB PRO A 105 9.137 -16.947 7.593 1.00 0.00 C ATOM 1585 CG PRO A 105 7.670 -17.389 7.432 1.00 0.00 C ATOM 1586 CD PRO A 105 6.942 -16.879 8.671 1.00 0.00 C ATOM 0 HA PRO A 105 10.025 -16.077 9.366 1.00 0.00 H new ATOM 0 HB2 PRO A 105 9.515 -16.509 6.669 1.00 0.00 H new ATOM 0 HB3 PRO A 105 9.776 -17.799 7.827 1.00 0.00 H new ATOM 0 HG2 PRO A 105 7.234 -16.973 6.524 1.00 0.00 H new ATOM 0 HG3 PRO A 105 7.595 -18.474 7.354 1.00 0.00 H new ATOM 0 HD2 PRO A 105 6.090 -16.259 8.392 1.00 0.00 H new ATOM 0 HD3 PRO A 105 6.552 -17.709 9.260 1.00 0.00 H new ATOM 1594 N ALA A 106 8.315 -14.115 7.333 1.00 0.00 N ATOM 1595 CA ALA A 106 8.304 -12.776 6.769 1.00 0.00 C ATOM 1596 C ALA A 106 8.163 -11.756 7.875 1.00 0.00 C ATOM 1597 O ALA A 106 7.288 -11.898 8.729 1.00 0.00 O ATOM 1598 CB ALA A 106 7.172 -12.670 5.794 1.00 0.00 C ATOM 0 H ALA A 106 7.553 -14.712 7.010 1.00 0.00 H new ATOM 0 HA ALA A 106 9.241 -12.580 6.247 1.00 0.00 H new ATOM 0 HB1 ALA A 106 7.154 -11.668 5.364 1.00 0.00 H new ATOM 0 HB2 ALA A 106 7.307 -13.403 4.999 1.00 0.00 H new ATOM 0 HB3 ALA A 106 6.230 -12.861 6.308 1.00 0.00 H new ATOM 1604 N ARG A 107 9.010 -10.735 7.840 1.00 0.00 N ATOM 1605 CA ARG A 107 8.995 -9.654 8.807 1.00 0.00 C ATOM 1606 C ARG A 107 9.393 -8.355 8.164 1.00 0.00 C ATOM 1607 O ARG A 107 10.236 -8.377 7.281 1.00 0.00 O ATOM 1608 CB ARG A 107 9.977 -9.975 9.930 1.00 0.00 C ATOM 1609 CG ARG A 107 9.473 -11.135 10.791 1.00 0.00 C ATOM 1610 CD ARG A 107 9.784 -10.933 12.269 1.00 0.00 C ATOM 1611 NE ARG A 107 10.517 -12.066 12.820 1.00 0.00 N ATOM 1612 CZ ARG A 107 11.698 -12.468 12.406 1.00 0.00 C ATOM 1613 NH1 ARG A 107 12.332 -11.858 11.448 1.00 0.00 N ATOM 1614 NH2 ARG A 107 12.277 -13.475 12.979 1.00 0.00 N ATOM 0 H ARG A 107 9.734 -10.637 7.129 1.00 0.00 H new ATOM 0 HA ARG A 107 7.984 -9.553 9.202 1.00 0.00 H new ATOM 0 HB2 ARG A 107 10.948 -10.229 9.506 1.00 0.00 H new ATOM 0 HB3 ARG A 107 10.122 -9.092 10.553 1.00 0.00 H new ATOM 0 HG2 ARG A 107 8.396 -11.242 10.659 1.00 0.00 H new ATOM 0 HG3 ARG A 107 9.929 -12.064 10.449 1.00 0.00 H new ATOM 0 HD2 ARG A 107 10.369 -10.022 12.398 1.00 0.00 H new ATOM 0 HD3 ARG A 107 8.855 -10.796 12.822 1.00 0.00 H new ATOM 0 HE ARG A 107 10.082 -12.585 13.583 1.00 0.00 H new ATOM 0 HH11 ARG A 107 11.914 -11.044 10.997 1.00 0.00 H new ATOM 0 HH12 ARG A 107 13.247 -12.193 11.148 1.00 0.00 H new ATOM 0 HH21 ARG A 107 11.816 -13.956 13.752 1.00 0.00 H new ATOM 0 HH22 ARG A 107 13.193 -13.787 12.658 1.00 0.00 H new ATOM 1628 N VAL A 108 8.817 -7.254 8.625 1.00 0.00 N ATOM 1629 CA VAL A 108 9.138 -5.916 8.147 1.00 0.00 C ATOM 1630 C VAL A 108 10.420 -5.419 8.796 1.00 0.00 C ATOM 1631 O VAL A 108 10.533 -5.349 10.018 1.00 0.00 O ATOM 1632 CB VAL A 108 7.938 -4.997 8.381 1.00 0.00 C ATOM 1633 CG1 VAL A 108 7.520 -4.956 9.836 1.00 0.00 C ATOM 1634 CG2 VAL A 108 8.212 -3.594 7.881 1.00 0.00 C ATOM 0 H VAL A 108 8.102 -7.265 9.353 1.00 0.00 H new ATOM 0 HA VAL A 108 9.329 -5.927 7.074 1.00 0.00 H new ATOM 0 HB VAL A 108 7.112 -5.419 7.809 1.00 0.00 H new ATOM 0 HG11 VAL A 108 6.665 -4.290 9.950 1.00 0.00 H new ATOM 0 HG12 VAL A 108 7.246 -5.959 10.164 1.00 0.00 H new ATOM 0 HG13 VAL A 108 8.348 -4.590 10.442 1.00 0.00 H new ATOM 0 HG21 VAL A 108 7.340 -2.966 8.062 1.00 0.00 H new ATOM 0 HG22 VAL A 108 9.072 -3.181 8.408 1.00 0.00 H new ATOM 0 HG23 VAL A 108 8.422 -3.623 6.812 1.00 0.00 H new ATOM 1644 N ILE A 109 11.412 -5.134 7.969 1.00 0.00 N ATOM 1645 CA ILE A 109 12.685 -4.628 8.447 1.00 0.00 C ATOM 1646 C ILE A 109 12.754 -3.142 8.255 1.00 0.00 C ATOM 1647 O ILE A 109 12.281 -2.631 7.242 1.00 0.00 O ATOM 1648 CB ILE A 109 13.821 -5.388 7.743 1.00 0.00 C ATOM 1649 CG1 ILE A 109 13.786 -6.889 8.042 1.00 0.00 C ATOM 1650 CG2 ILE A 109 15.166 -4.833 8.151 1.00 0.00 C ATOM 1651 CD1 ILE A 109 13.395 -7.167 9.471 1.00 0.00 C ATOM 0 H ILE A 109 11.358 -5.246 6.957 1.00 0.00 H new ATOM 0 HA ILE A 109 12.793 -4.801 9.518 1.00 0.00 H new ATOM 0 HB ILE A 109 13.672 -5.250 6.672 1.00 0.00 H new ATOM 0 HG12 ILE A 109 13.079 -7.377 7.371 1.00 0.00 H new ATOM 0 HG13 ILE A 109 14.766 -7.322 7.843 1.00 0.00 H new ATOM 0 HG21 ILE A 109 15.957 -5.384 7.642 1.00 0.00 H new ATOM 0 HG22 ILE A 109 15.223 -3.780 7.877 1.00 0.00 H new ATOM 0 HG23 ILE A 109 15.289 -4.934 9.229 1.00 0.00 H new ATOM 0 HD11 ILE A 109 13.382 -8.243 9.642 1.00 0.00 H new ATOM 0 HD12 ILE A 109 14.116 -6.702 10.143 1.00 0.00 H new ATOM 0 HD13 ILE A 109 12.403 -6.757 9.663 1.00 0.00 H new ATOM 1663 N TYR A 110 13.354 -2.452 9.216 1.00 0.00 N ATOM 1664 CA TYR A 110 13.471 -1.014 9.183 1.00 0.00 C ATOM 1665 C TYR A 110 14.505 -0.546 10.195 1.00 0.00 C ATOM 1666 O TYR A 110 14.800 -1.206 11.198 1.00 0.00 O ATOM 1667 CB TYR A 110 12.099 -0.437 9.531 1.00 0.00 C ATOM 1668 CG TYR A 110 11.642 -0.803 10.932 1.00 0.00 C ATOM 1669 CD1 TYR A 110 12.257 -0.221 12.052 1.00 0.00 C ATOM 1670 CD2 TYR A 110 10.571 -1.692 11.131 1.00 0.00 C ATOM 1671 CE1 TYR A 110 11.860 -0.515 13.361 1.00 0.00 C ATOM 1672 CE2 TYR A 110 10.135 -1.968 12.451 1.00 0.00 C ATOM 1673 CZ TYR A 110 10.792 -1.395 13.560 1.00 0.00 C ATOM 1674 OH TYR A 110 10.346 -1.620 14.814 1.00 0.00 O ATOM 0 H TYR A 110 13.772 -2.883 10.040 1.00 0.00 H new ATOM 0 HA TYR A 110 13.793 -0.679 8.197 1.00 0.00 H new ATOM 0 HB2 TYR A 110 12.133 0.648 9.437 1.00 0.00 H new ATOM 0 HB3 TYR A 110 11.366 -0.797 8.809 1.00 0.00 H new ATOM 0 HD1 TYR A 110 13.065 0.478 11.898 1.00 0.00 H new ATOM 0 HD2 TYR A 110 10.086 -2.160 10.287 1.00 0.00 H new ATOM 0 HE1 TYR A 110 12.370 -0.070 14.203 1.00 0.00 H new ATOM 0 HE2 TYR A 110 9.291 -2.623 12.609 1.00 0.00 H new ATOM 0 HH TYR A 110 9.599 -2.254 14.787 1.00 0.00 H new ATOM 1684 N THR A 111 15.088 0.603 9.909 1.00 0.00 N ATOM 1685 CA THR A 111 16.122 1.172 10.764 1.00 0.00 C ATOM 1686 C THR A 111 15.478 2.004 11.847 1.00 0.00 C ATOM 1687 O THR A 111 14.294 2.313 11.758 1.00 0.00 O ATOM 1688 CB THR A 111 17.103 1.977 9.906 1.00 0.00 C ATOM 1689 OG1 THR A 111 16.647 3.293 9.726 1.00 0.00 O ATOM 1690 CG2 THR A 111 17.229 1.407 8.494 1.00 0.00 C ATOM 0 H THR A 111 14.864 1.166 9.088 1.00 0.00 H new ATOM 0 HA THR A 111 16.691 0.384 11.257 1.00 0.00 H new ATOM 0 HB THR A 111 18.054 1.935 10.436 1.00 0.00 H new ATOM 0 HG1 THR A 111 17.289 3.789 9.177 1.00 0.00 H new ATOM 0 HG21 THR A 111 17.934 2.008 7.920 1.00 0.00 H new ATOM 0 HG22 THR A 111 17.588 0.379 8.547 1.00 0.00 H new ATOM 0 HG23 THR A 111 16.255 1.426 8.006 1.00 0.00 H new ATOM 1698 N TYR A 112 16.251 2.404 12.845 1.00 0.00 N ATOM 1699 CA TYR A 112 15.756 3.243 13.911 1.00 0.00 C ATOM 1700 C TYR A 112 16.436 4.631 13.895 1.00 0.00 C ATOM 1701 O TYR A 112 17.622 4.737 13.558 1.00 0.00 O ATOM 1702 CB TYR A 112 15.886 2.476 15.229 1.00 0.00 C ATOM 1703 CG TYR A 112 15.758 3.298 16.503 1.00 0.00 C ATOM 1704 CD1 TYR A 112 16.684 4.311 16.801 1.00 0.00 C ATOM 1705 CD2 TYR A 112 14.684 3.091 17.380 1.00 0.00 C ATOM 1706 CE1 TYR A 112 16.568 5.105 17.948 1.00 0.00 C ATOM 1707 CE2 TYR A 112 14.555 3.881 18.545 1.00 0.00 C ATOM 1708 CZ TYR A 112 15.513 4.871 18.833 1.00 0.00 C ATOM 1709 OH TYR A 112 15.436 5.603 19.959 1.00 0.00 O ATOM 0 H TYR A 112 17.236 2.154 12.933 1.00 0.00 H new ATOM 0 HA TYR A 112 14.698 3.468 13.774 1.00 0.00 H new ATOM 0 HB2 TYR A 112 15.125 1.696 15.247 1.00 0.00 H new ATOM 0 HB3 TYR A 112 16.855 1.977 15.240 1.00 0.00 H new ATOM 0 HD1 TYR A 112 17.509 4.482 16.126 1.00 0.00 H new ATOM 0 HD2 TYR A 112 13.953 2.326 17.165 1.00 0.00 H new ATOM 0 HE1 TYR A 112 17.285 5.888 18.146 1.00 0.00 H new ATOM 0 HE2 TYR A 112 13.722 3.725 19.214 1.00 0.00 H new ATOM 0 HH TYR A 112 14.649 5.328 20.475 1.00 0.00 H new ATOM 1719 N PRO A 113 15.731 5.670 14.393 1.00 0.00 N ATOM 1720 CA PRO A 113 14.351 5.571 14.838 1.00 0.00 C ATOM 1721 C PRO A 113 13.469 5.501 13.634 1.00 0.00 C ATOM 1722 O PRO A 113 12.666 4.588 13.535 1.00 0.00 O ATOM 1723 CB PRO A 113 14.047 6.770 15.700 1.00 0.00 C ATOM 1724 CG PRO A 113 15.175 7.768 15.397 1.00 0.00 C ATOM 1725 CD PRO A 113 16.277 6.990 14.661 1.00 0.00 C ATOM 0 HA PRO A 113 14.178 4.674 15.432 1.00 0.00 H new ATOM 0 HB2 PRO A 113 13.071 7.192 15.461 1.00 0.00 H new ATOM 0 HB3 PRO A 113 14.028 6.503 16.757 1.00 0.00 H new ATOM 0 HG2 PRO A 113 14.808 8.590 14.783 1.00 0.00 H new ATOM 0 HG3 PRO A 113 15.561 8.205 16.318 1.00 0.00 H new ATOM 0 HD2 PRO A 113 16.555 7.492 13.734 1.00 0.00 H new ATOM 0 HD3 PRO A 113 17.179 6.922 15.270 1.00 0.00 H new ATOM 1733 N ASN A 114 13.625 6.433 12.698 1.00 0.00 N ATOM 1734 CA ASN A 114 12.856 6.481 11.467 1.00 0.00 C ATOM 1735 C ASN A 114 12.740 5.104 10.883 1.00 0.00 C ATOM 1736 O ASN A 114 13.771 4.603 10.451 1.00 0.00 O ATOM 1737 CB ASN A 114 13.571 7.359 10.433 1.00 0.00 C ATOM 1738 CG ASN A 114 12.915 8.699 10.264 1.00 0.00 C ATOM 1739 OD1 ASN A 114 11.886 9.007 10.832 1.00 0.00 O ATOM 1740 ND2 ASN A 114 13.511 9.526 9.455 1.00 0.00 N ATOM 0 H ASN A 114 14.304 7.189 12.780 1.00 0.00 H new ATOM 0 HA ASN A 114 11.871 6.887 11.699 1.00 0.00 H new ATOM 0 HB2 ASN A 114 14.608 7.502 10.737 1.00 0.00 H new ATOM 0 HB3 ASN A 114 13.588 6.843 9.473 1.00 0.00 H new ATOM 0 HD21 ASN A 114 13.115 10.451 9.289 1.00 0.00 H new ATOM 0 HD22 ASN A 114 14.374 9.249 8.987 1.00 0.00 H new ATOM 1747 N LYS A 115 11.529 4.528 10.893 1.00 0.00 N ATOM 1748 CA LYS A 115 11.247 3.182 10.406 1.00 0.00 C ATOM 1749 C LYS A 115 11.413 3.171 8.907 1.00 0.00 C ATOM 1750 O LYS A 115 10.425 3.111 8.192 1.00 0.00 O ATOM 1751 CB LYS A 115 9.823 2.747 10.821 1.00 0.00 C ATOM 1752 CG LYS A 115 9.870 1.706 11.923 1.00 0.00 C ATOM 1753 CD LYS A 115 8.776 1.855 12.956 1.00 0.00 C ATOM 1754 CE LYS A 115 8.863 3.257 13.586 1.00 0.00 C ATOM 1755 NZ LYS A 115 7.750 4.095 13.120 1.00 0.00 N ATOM 0 H LYS A 115 10.701 5.004 11.251 1.00 0.00 H new ATOM 0 HA LYS A 115 11.943 2.468 10.847 1.00 0.00 H new ATOM 0 HB2 LYS A 115 9.259 3.615 11.161 1.00 0.00 H new ATOM 0 HB3 LYS A 115 9.296 2.343 9.957 1.00 0.00 H new ATOM 0 HG2 LYS A 115 9.801 0.715 11.475 1.00 0.00 H new ATOM 0 HG3 LYS A 115 10.837 1.763 12.422 1.00 0.00 H new ATOM 0 HD2 LYS A 115 7.800 1.711 12.493 1.00 0.00 H new ATOM 0 HD3 LYS A 115 8.879 1.090 13.726 1.00 0.00 H new ATOM 0 HE2 LYS A 115 8.837 3.177 14.673 1.00 0.00 H new ATOM 0 HE3 LYS A 115 9.813 3.723 13.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 8.078 5.075 13.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 7.404 3.736 12.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 6.979 4.067 13.817 1.00 0.00 H new ATOM 1769 N VAL A 116 12.644 3.333 8.441 1.00 0.00 N ATOM 1770 CA VAL A 116 13.027 3.389 7.043 1.00 0.00 C ATOM 1771 C VAL A 116 12.910 1.959 6.526 1.00 0.00 C ATOM 1772 O VAL A 116 13.889 1.217 6.455 1.00 0.00 O ATOM 1773 CB VAL A 116 14.449 3.975 6.888 1.00 0.00 C ATOM 1774 CG1 VAL A 116 15.033 3.624 5.515 1.00 0.00 C ATOM 1775 CG2 VAL A 116 14.445 5.505 7.092 1.00 0.00 C ATOM 0 H VAL A 116 13.444 3.434 9.066 1.00 0.00 H new ATOM 0 HA VAL A 116 12.385 4.051 6.462 1.00 0.00 H new ATOM 0 HB VAL A 116 15.078 3.530 7.659 1.00 0.00 H new ATOM 0 HG11 VAL A 116 16.034 4.046 5.427 1.00 0.00 H new ATOM 0 HG12 VAL A 116 15.085 2.541 5.408 1.00 0.00 H new ATOM 0 HG13 VAL A 116 14.396 4.036 4.732 1.00 0.00 H new ATOM 0 HG21 VAL A 116 15.458 5.890 6.977 1.00 0.00 H new ATOM 0 HG22 VAL A 116 13.794 5.969 6.351 1.00 0.00 H new ATOM 0 HG23 VAL A 116 14.080 5.738 8.092 1.00 0.00 H new ATOM 1785 N PHE A 117 11.666 1.519 6.369 1.00 0.00 N ATOM 1786 CA PHE A 117 11.315 0.211 5.883 1.00 0.00 C ATOM 1787 C PHE A 117 12.227 -0.153 4.722 1.00 0.00 C ATOM 1788 O PHE A 117 12.252 0.550 3.713 1.00 0.00 O ATOM 1789 CB PHE A 117 9.853 0.249 5.461 1.00 0.00 C ATOM 1790 CG PHE A 117 9.473 -0.929 4.624 1.00 0.00 C ATOM 1791 CD1 PHE A 117 9.356 -2.176 5.230 1.00 0.00 C ATOM 1792 CD2 PHE A 117 9.311 -0.796 3.245 1.00 0.00 C ATOM 1793 CE1 PHE A 117 9.019 -3.314 4.477 1.00 0.00 C ATOM 1794 CE2 PHE A 117 8.993 -1.926 2.484 1.00 0.00 C ATOM 1795 CZ PHE A 117 8.853 -3.177 3.091 1.00 0.00 C ATOM 0 H PHE A 117 10.852 2.093 6.588 1.00 0.00 H new ATOM 0 HA PHE A 117 11.443 -0.550 6.653 1.00 0.00 H new ATOM 0 HB2 PHE A 117 9.222 0.280 6.349 1.00 0.00 H new ATOM 0 HB3 PHE A 117 9.662 1.165 4.902 1.00 0.00 H new ATOM 0 HD1 PHE A 117 9.526 -2.271 6.292 1.00 0.00 H new ATOM 0 HD2 PHE A 117 9.430 0.167 2.771 1.00 0.00 H new ATOM 0 HE1 PHE A 117 8.891 -4.274 4.956 1.00 0.00 H new ATOM 0 HE2 PHE A 117 8.854 -1.831 1.417 1.00 0.00 H new ATOM 0 HZ PHE A 117 8.616 -4.042 2.490 1.00 0.00 H new ATOM 1805 N CYS A 118 13.021 -1.198 4.901 1.00 0.00 N ATOM 1806 CA CYS A 118 13.901 -1.646 3.856 1.00 0.00 C ATOM 1807 C CYS A 118 13.194 -2.692 2.998 1.00 0.00 C ATOM 1808 O CYS A 118 13.304 -2.703 1.772 1.00 0.00 O ATOM 1809 CB CYS A 118 15.178 -2.175 4.497 1.00 0.00 C ATOM 1810 SG CYS A 118 16.595 -1.249 3.889 1.00 0.00 S ATOM 0 H CYS A 118 13.067 -1.744 5.761 1.00 0.00 H new ATOM 0 HA CYS A 118 14.171 -0.826 3.190 1.00 0.00 H new ATOM 0 HB2 CYS A 118 15.114 -2.089 5.582 1.00 0.00 H new ATOM 0 HB3 CYS A 118 15.299 -3.234 4.268 1.00 0.00 H new ATOM 1815 N GLY A 119 12.465 -3.590 3.652 1.00 0.00 N ATOM 1816 CA GLY A 119 11.762 -4.663 2.991 1.00 0.00 C ATOM 1817 C GLY A 119 11.483 -5.807 3.934 1.00 0.00 C ATOM 1818 O GLY A 119 11.660 -5.695 5.145 1.00 0.00 O ATOM 0 H GLY A 119 12.350 -3.586 4.665 1.00 0.00 H new ATOM 0 HA2 GLY A 119 10.823 -4.288 2.585 1.00 0.00 H new ATOM 0 HA3 GLY A 119 12.353 -5.021 2.148 1.00 0.00 H new ATOM 1822 N ILE A 120 10.996 -6.906 3.379 1.00 0.00 N ATOM 1823 CA ILE A 120 10.661 -8.070 4.184 1.00 0.00 C ATOM 1824 C ILE A 120 11.672 -9.131 3.867 1.00 0.00 C ATOM 1825 O ILE A 120 12.127 -9.188 2.743 1.00 0.00 O ATOM 1826 CB ILE A 120 9.195 -8.499 3.944 1.00 0.00 C ATOM 1827 CG1 ILE A 120 8.241 -7.504 4.629 1.00 0.00 C ATOM 1828 CG2 ILE A 120 8.886 -9.908 4.479 1.00 0.00 C ATOM 1829 CD1 ILE A 120 7.918 -6.334 3.711 1.00 0.00 C ATOM 0 H ILE A 120 10.825 -7.016 2.380 1.00 0.00 H new ATOM 0 HA ILE A 120 10.711 -7.856 5.252 1.00 0.00 H new ATOM 0 HB ILE A 120 9.050 -8.508 2.864 1.00 0.00 H new ATOM 0 HG12 ILE A 120 7.320 -8.014 4.911 1.00 0.00 H new ATOM 0 HG13 ILE A 120 8.695 -7.134 5.548 1.00 0.00 H new ATOM 0 HG21 ILE A 120 7.842 -10.152 4.281 1.00 0.00 H new ATOM 0 HG22 ILE A 120 9.529 -10.635 3.983 1.00 0.00 H new ATOM 0 HG23 ILE A 120 9.068 -9.937 5.553 1.00 0.00 H new ATOM 0 HD11 ILE A 120 7.242 -5.647 4.221 1.00 0.00 H new ATOM 0 HD12 ILE A 120 8.838 -5.811 3.450 1.00 0.00 H new ATOM 0 HD13 ILE A 120 7.442 -6.704 2.803 1.00 0.00 H new ATOM 1841 N ILE A 121 12.033 -9.968 4.822 1.00 0.00 N ATOM 1842 CA ILE A 121 12.974 -11.053 4.584 1.00 0.00 C ATOM 1843 C ILE A 121 12.296 -12.368 4.879 1.00 0.00 C ATOM 1844 O ILE A 121 11.393 -12.413 5.705 1.00 0.00 O ATOM 1845 CB ILE A 121 14.244 -10.854 5.412 1.00 0.00 C ATOM 1846 CG1 ILE A 121 14.016 -11.309 6.862 1.00 0.00 C ATOM 1847 CG2 ILE A 121 14.707 -9.376 5.334 1.00 0.00 C ATOM 1848 CD1 ILE A 121 15.312 -11.319 7.629 1.00 0.00 C ATOM 0 H ILE A 121 11.686 -9.918 5.780 1.00 0.00 H new ATOM 0 HA ILE A 121 13.282 -11.057 3.538 1.00 0.00 H new ATOM 0 HB ILE A 121 15.042 -11.472 5.000 1.00 0.00 H new ATOM 0 HG12 ILE A 121 13.305 -10.642 7.350 1.00 0.00 H new ATOM 0 HG13 ILE A 121 13.576 -12.306 6.870 1.00 0.00 H new ATOM 0 HG21 ILE A 121 15.612 -9.246 5.927 1.00 0.00 H new ATOM 0 HG22 ILE A 121 14.913 -9.113 4.296 1.00 0.00 H new ATOM 0 HG23 ILE A 121 13.922 -8.728 5.723 1.00 0.00 H new ATOM 0 HD11 ILE A 121 15.126 -11.644 8.653 1.00 0.00 H new ATOM 0 HD12 ILE A 121 16.012 -12.005 7.152 1.00 0.00 H new ATOM 0 HD13 ILE A 121 15.737 -10.315 7.639 1.00 0.00 H new ATOM 1860 N ALA A 122 12.764 -13.451 4.282 1.00 0.00 N ATOM 1861 CA ALA A 122 12.215 -14.777 4.509 1.00 0.00 C ATOM 1862 C ALA A 122 13.074 -15.803 3.788 1.00 0.00 C ATOM 1863 O ALA A 122 13.822 -15.469 2.867 1.00 0.00 O ATOM 1864 CB ALA A 122 10.778 -14.848 3.980 1.00 0.00 C ATOM 0 H ALA A 122 13.541 -13.435 3.622 1.00 0.00 H new ATOM 0 HA ALA A 122 12.209 -14.987 5.579 1.00 0.00 H new ATOM 0 HB1 ALA A 122 10.375 -15.846 4.155 1.00 0.00 H new ATOM 0 HB2 ALA A 122 10.163 -14.112 4.498 1.00 0.00 H new ATOM 0 HB3 ALA A 122 10.773 -14.637 2.911 1.00 0.00 H new ATOM 2011 N LYS A 132 16.382 -14.019 2.690 1.00 0.00 N ATOM 2012 CA LYS A 132 16.773 -12.943 1.784 1.00 0.00 C ATOM 2013 C LYS A 132 15.653 -11.937 1.680 1.00 0.00 C ATOM 2014 O LYS A 132 14.547 -12.239 2.115 1.00 0.00 O ATOM 2015 CB LYS A 132 17.173 -13.515 0.429 1.00 0.00 C ATOM 2016 CG LYS A 132 16.234 -14.638 -0.049 1.00 0.00 C ATOM 2017 CD LYS A 132 16.028 -14.578 -1.560 1.00 0.00 C ATOM 2018 CE LYS A 132 14.974 -13.519 -1.915 1.00 0.00 C ATOM 2019 NZ LYS A 132 15.539 -12.483 -2.807 1.00 0.00 N ATOM 0 HA LYS A 132 17.646 -12.423 2.178 1.00 0.00 H new ATOM 0 HB2 LYS A 132 17.179 -12.714 -0.310 1.00 0.00 H new ATOM 0 HB3 LYS A 132 18.191 -13.901 0.489 1.00 0.00 H new ATOM 0 HG2 LYS A 132 16.652 -15.607 0.226 1.00 0.00 H new ATOM 0 HG3 LYS A 132 15.272 -14.551 0.456 1.00 0.00 H new ATOM 0 HD2 LYS A 132 16.971 -14.341 -2.053 1.00 0.00 H new ATOM 0 HD3 LYS A 132 15.711 -15.553 -1.929 1.00 0.00 H new ATOM 0 HE2 LYS A 132 14.123 -13.997 -2.401 1.00 0.00 H new ATOM 0 HE3 LYS A 132 14.600 -13.054 -1.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 15.220 -11.544 -2.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 16.578 -12.525 -2.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 15.217 -12.651 -3.781 1.00 0.00 H new ATOM 2033 N LEU A 133 15.946 -10.774 1.113 1.00 0.00 N ATOM 2034 CA LEU A 133 14.951 -9.730 0.945 1.00 0.00 C ATOM 2035 C LEU A 133 13.919 -10.238 -0.042 1.00 0.00 C ATOM 2036 O LEU A 133 14.310 -10.830 -1.053 1.00 0.00 O ATOM 2037 CB LEU A 133 15.632 -8.434 0.469 1.00 0.00 C ATOM 2038 CG LEU A 133 14.901 -7.160 0.912 1.00 0.00 C ATOM 2039 CD1 LEU A 133 14.778 -7.098 2.434 1.00 0.00 C ATOM 2040 CD2 LEU A 133 15.660 -5.953 0.373 1.00 0.00 C ATOM 0 H LEU A 133 16.872 -10.532 0.760 1.00 0.00 H new ATOM 0 HA LEU A 133 14.454 -9.494 1.886 1.00 0.00 H new ATOM 0 HB2 LEU A 133 16.653 -8.409 0.850 1.00 0.00 H new ATOM 0 HB3 LEU A 133 15.698 -8.446 -0.619 1.00 0.00 H new ATOM 0 HG LEU A 133 13.887 -7.162 0.511 1.00 0.00 H new ATOM 0 HD11 LEU A 133 14.256 -6.185 2.720 1.00 0.00 H new ATOM 0 HD12 LEU A 133 14.218 -7.963 2.789 1.00 0.00 H new ATOM 0 HD13 LEU A 133 15.773 -7.102 2.880 1.00 0.00 H new ATOM 0 HD21 LEU A 133 15.153 -5.038 0.679 1.00 0.00 H new ATOM 0 HD22 LEU A 133 16.675 -5.955 0.769 1.00 0.00 H new ATOM 0 HD23 LEU A 133 15.695 -6.002 -0.715 1.00 0.00 H new ATOM 2052 N CYS A 134 12.643 -10.071 0.298 1.00 0.00 N ATOM 2053 CA CYS A 134 11.510 -10.417 -0.542 1.00 0.00 C ATOM 2054 C CYS A 134 11.590 -9.673 -1.875 1.00 0.00 C ATOM 2055 O CYS A 134 12.496 -8.881 -2.120 1.00 0.00 O ATOM 2056 CB CYS A 134 10.187 -10.067 0.164 1.00 0.00 C ATOM 2057 SG CYS A 134 9.806 -10.913 1.697 1.00 0.00 S ATOM 0 H CYS A 134 12.365 -9.677 1.197 1.00 0.00 H new ATOM 0 HA CYS A 134 11.540 -11.491 -0.728 1.00 0.00 H new ATOM 0 HB2 CYS A 134 10.188 -8.996 0.365 1.00 0.00 H new ATOM 0 HB3 CYS A 134 9.373 -10.260 -0.535 1.00 0.00 H new ATOM 2062 N SER A 135 10.596 -9.878 -2.715 1.00 0.00 N ATOM 2063 CA SER A 135 10.622 -9.235 -4.018 1.00 0.00 C ATOM 2064 C SER A 135 9.218 -9.256 -4.553 1.00 0.00 C ATOM 2065 O SER A 135 8.649 -10.327 -4.712 1.00 0.00 O ATOM 2066 CB SER A 135 11.573 -9.992 -4.953 1.00 0.00 C ATOM 2067 OG SER A 135 12.884 -9.444 -4.920 1.00 0.00 O ATOM 0 H SER A 135 9.783 -10.465 -2.531 1.00 0.00 H new ATOM 0 HA SER A 135 10.981 -8.208 -3.943 1.00 0.00 H new ATOM 0 HB2 SER A 135 11.609 -11.042 -4.664 1.00 0.00 H new ATOM 0 HB3 SER A 135 11.188 -9.955 -5.972 1.00 0.00 H new ATOM 0 HG SER A 135 13.083 -9.126 -4.015 1.00 0.00 H new ATOM 2073 N HIS A 136 8.612 -8.087 -4.668 1.00 0.00 N ATOM 2074 CA HIS A 136 7.314 -7.932 -5.318 1.00 0.00 C ATOM 2075 C HIS A 136 7.395 -7.881 -6.843 1.00 0.00 C ATOM 2076 O HIS A 136 6.323 -7.698 -7.441 1.00 0.00 O ATOM 2077 CB HIS A 136 6.656 -6.673 -4.752 1.00 0.00 C ATOM 2078 CG HIS A 136 7.596 -5.527 -4.486 1.00 0.00 C ATOM 2079 ND1 HIS A 136 8.603 -5.134 -5.328 1.00 0.00 N ATOM 2080 CD2 HIS A 136 7.626 -4.746 -3.371 1.00 0.00 C ATOM 2081 CE1 HIS A 136 9.234 -4.101 -4.726 1.00 0.00 C ATOM 2082 NE2 HIS A 136 8.641 -3.824 -3.539 1.00 0.00 N ATOM 2083 OXT HIS A 136 8.541 -7.835 -7.334 1.00 0.00 O ATOM 0 H HIS A 136 9.004 -7.214 -4.314 1.00 0.00 H new ATOM 0 HA HIS A 136 6.712 -8.815 -5.103 1.00 0.00 H new ATOM 0 HB2 HIS A 136 5.888 -6.338 -5.449 1.00 0.00 H new ATOM 0 HB3 HIS A 136 6.151 -6.932 -3.821 1.00 0.00 H new ATOM 0 HD2 HIS A 136 6.976 -4.832 -2.513 1.00 0.00 H new ATOM 0 HE1 HIS A 136 10.085 -3.574 -5.131 1.00 0.00 H new ATOM 0 HE2 HIS A 136 8.896 -3.077 -2.893 1.00 0.00 H new