USER MOD reduce.3.24.130724 H: found=0, std=0, add=1326, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1324 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 139 TYR OH : rot -91:sc= 0.836 USER MOD Set 1.2: A 148 GLN : amide:sc= -5.39! C(o=-4.6!,f=-13!) USER MOD Set 2.1: A 114 CYS SG : rot 30:sc= -1.96! USER MOD Set 2.2: A 120 GLN : amide:sc= -1.96! K(o=-3.9!,f=-0.99) USER MOD Set 3.1: A 106 GLN : amide:sc= -4.02! C(o=-5.2!,f=-6.9!) USER MOD Set 3.2: A 108 TYR OH : rot 64:sc= -1.22! USER MOD Set 4.1: A 57 HIS : no HD1:sc= -11.4! C(o=-10!,f=-20!) USER MOD Set 4.2: A 59 TYR OH : rot 111:sc= 1.19 USER MOD Set 5.1: A 22 CYS SG : rot 82:sc= -4.58! USER MOD Set 5.2: A 82 CYS SG : rot 15:sc= 0.573 USER MOD Set 6.1: A 20 TYR OH : rot -165:sc= 0.396 USER MOD Set 6.2: A 26 CYS SG : rot 52:sc= -0.163 USER MOD Set 7.1: A 8 SER OG : rot -145:sc= -1.23! USER MOD Set 7.2: A 10 TYR OH : rot 165:sc= -1.2 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -5.01! C(o=-5!,f=-4.5!) USER MOD Single : A 16 GLN : amide:sc= -1 K(o=-1,f=-0.038) USER MOD Single : A 24 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0.0188 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -27:sc= 0.368 USER MOD Single : A 36 CYS SG : rot -154:sc= -2.57 USER MOD Single : A 37 ASN : amide:sc= -4! C(o=-4!,f=-6.6!) USER MOD Single : A 38 SER OG : rot 60:sc= 0.756 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.298 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -4.75! C(o=-4.7!,f=-1.8!) USER MOD Single : A 55 SER OG : rot -86:sc= 0.882 USER MOD Single : A 58 MET CE :methyl 158:sc= -0.0983 (180deg=-1.23) USER MOD Single : A 63 GLN : amide:sc= -1.82 X(o=-1.8,f=-1.5) USER MOD Single : A 66 TYR OH : rot 167:sc= -0.0736 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.292 K(o=-0.29,f=-0.83) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -7.17! C(o=-7.2!,f=-12!) USER MOD Single : A 81 SER OG : rot -141:sc= -1.83! USER MOD Single : A 86 HIS : no HD1:sc= -0.203 K(o=-0.2,f=-2.6!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -0.145 X(o=-0.15,f=-0.15) USER MOD Single : A 94 LYS NZ :NH3+ -132:sc= -1.93 (180deg=-4.68!) USER MOD Single : A 96 GLN : amide:sc= -1.46 X(o=-1.5,f=-1.4) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN : amide:sc= -2.09 K(o=-2.1,f=-6.3!) USER MOD Single : A 107 MET CE :methyl -145:sc= -0.321 (180deg=-1.45!) USER MOD Single : A 110 THR OG1 : rot 58:sc= 1 USER MOD Single : A 111 THR OG1 : rot -62:sc= 0.995 USER MOD Single : A 116 SER OG : rot 170:sc= 0.24 USER MOD Single : A 118 MET CE :methyl -177:sc= 0 (180deg=-0.00952) USER MOD Single : A 122 HIS : no HD1:sc= -0.829 X(o=-0.83,f=-0.41) USER MOD Single : A 127 HIS : no HD1:sc= -1.97! C(o=-2!,f=-3.9!) USER MOD Single : A 128 SER OG : rot 9:sc= 0.29 USER MOD Single : A 129 CYS SG : rot 42:sc= -2.39! USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 ASN : amide:sc= -0.0887 X(o=-0.089,f=-0.11) USER MOD Single : A 144 TYR OH : rot 30:sc= -0.914! USER MOD Single : A 149 TYR OH : rot 180:sc= 0 USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 156 TYR OH : rot 180:sc= 0.963 USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 166 SER OG : rot 180:sc= 0 USER MOD Single : A 170 GLN : amide:sc= -0.113 X(o=-0.11,f=-0.13) USER MOD Single : A 171 SER OG : rot -148:sc= -0.176 USER MOD ----------------------------------------------------------------- ATOM 50 N GLY A 4 -15.838 -11.946 0.944 1.00 0.52 N ATOM 51 CA GLY A 4 -16.189 -11.414 2.297 1.00 0.30 C ATOM 52 C GLY A 4 -14.874 -11.227 3.059 1.00 0.41 C ATOM 53 O GLY A 4 -14.408 -12.107 3.755 1.00 0.81 O ATOM 0 HA2 GLY A 4 -16.724 -10.468 2.213 1.00 0.30 H new ATOM 0 HA3 GLY A 4 -16.846 -12.105 2.825 1.00 0.30 H new ATOM 57 N GLY A 5 -14.268 -10.075 2.911 1.00 0.01 N ATOM 58 CA GLY A 5 -12.975 -9.812 3.599 1.00 0.01 C ATOM 59 C GLY A 5 -13.211 -9.467 5.071 1.00 0.01 C ATOM 60 O GLY A 5 -14.216 -8.890 5.435 1.00 0.01 O ATOM 0 H GLY A 5 -14.618 -9.305 2.340 1.00 0.01 H new ATOM 0 HA2 GLY A 5 -12.331 -10.688 3.524 1.00 0.01 H new ATOM 0 HA3 GLY A 5 -12.454 -8.991 3.106 1.00 0.01 H new ATOM 64 N LYS A 6 -12.279 -9.810 5.917 1.00 0.00 N ATOM 65 CA LYS A 6 -12.420 -9.503 7.368 1.00 0.01 C ATOM 66 C LYS A 6 -11.025 -9.383 7.979 1.00 0.01 C ATOM 67 O LYS A 6 -10.139 -10.173 7.688 1.00 0.00 O ATOM 68 CB LYS A 6 -13.207 -10.616 8.069 1.00 0.02 C ATOM 69 CG LYS A 6 -13.614 -10.171 9.481 1.00 0.02 C ATOM 70 CD LYS A 6 -14.747 -11.064 9.995 1.00 0.02 C ATOM 71 CE LYS A 6 -15.188 -10.585 11.379 1.00 0.02 C ATOM 72 NZ LYS A 6 -16.375 -11.369 11.823 1.00 0.02 N ATOM 0 H LYS A 6 -11.418 -10.294 5.662 1.00 0.00 H new ATOM 0 HA LYS A 6 -12.962 -8.566 7.496 1.00 0.01 H new ATOM 0 HB2 LYS A 6 -14.095 -10.864 7.488 1.00 0.02 H new ATOM 0 HB3 LYS A 6 -12.600 -11.520 8.126 1.00 0.02 H new ATOM 0 HG2 LYS A 6 -12.758 -10.230 10.153 1.00 0.02 H new ATOM 0 HG3 LYS A 6 -13.936 -9.130 9.466 1.00 0.02 H new ATOM 0 HD2 LYS A 6 -15.589 -11.035 9.303 1.00 0.02 H new ATOM 0 HD3 LYS A 6 -14.412 -12.100 10.047 1.00 0.02 H new ATOM 0 HE2 LYS A 6 -14.373 -10.704 12.093 1.00 0.02 H new ATOM 0 HE3 LYS A 6 -15.432 -9.523 11.347 1.00 0.02 H new ATOM 0 HZ1 LYS A 6 -16.674 -11.043 12.764 1.00 0.02 H new ATOM 0 HZ2 LYS A 6 -17.153 -11.234 11.146 1.00 0.02 H new ATOM 0 HZ3 LYS A 6 -16.127 -12.378 11.869 1.00 0.02 H new ATOM 86 N ILE A 7 -10.835 -8.402 8.835 1.00 0.02 N ATOM 87 CA ILE A 7 -9.506 -8.201 9.500 1.00 0.00 C ATOM 88 C ILE A 7 -9.712 -8.047 11.010 1.00 0.02 C ATOM 89 O ILE A 7 -10.664 -7.436 11.459 1.00 0.01 O ATOM 90 CB ILE A 7 -8.814 -6.970 8.910 1.00 0.02 C ATOM 91 CG1 ILE A 7 -7.556 -6.641 9.718 1.00 0.02 C ATOM 92 CG2 ILE A 7 -9.763 -5.782 8.950 1.00 0.01 C ATOM 93 CD1 ILE A 7 -6.717 -5.608 8.958 1.00 0.02 C ATOM 0 H ILE A 7 -11.551 -7.727 9.102 1.00 0.02 H new ATOM 0 HA ILE A 7 -8.867 -9.067 9.324 1.00 0.00 H new ATOM 0 HB ILE A 7 -8.535 -7.181 7.878 1.00 0.02 H new ATOM 0 HG12 ILE A 7 -7.832 -6.252 10.698 1.00 0.02 H new ATOM 0 HG13 ILE A 7 -6.972 -7.546 9.887 1.00 0.02 H new ATOM 0 HG21 ILE A 7 -9.268 -4.907 8.529 1.00 0.01 H new ATOM 0 HG22 ILE A 7 -10.655 -6.009 8.367 1.00 0.01 H new ATOM 0 HG23 ILE A 7 -10.047 -5.577 9.982 1.00 0.01 H new ATOM 0 HD11 ILE A 7 -5.821 -5.373 9.533 1.00 0.02 H new ATOM 0 HD12 ILE A 7 -6.430 -6.015 7.988 1.00 0.02 H new ATOM 0 HD13 ILE A 7 -7.302 -4.700 8.812 1.00 0.02 H new ATOM 105 N SER A 8 -8.814 -8.592 11.799 1.00 0.02 N ATOM 106 CA SER A 8 -8.924 -8.482 13.291 1.00 0.02 C ATOM 107 C SER A 8 -7.660 -7.820 13.850 1.00 0.01 C ATOM 108 O SER A 8 -6.553 -8.222 13.558 1.00 0.02 O ATOM 109 CB SER A 8 -9.082 -9.879 13.903 1.00 0.30 C ATOM 110 OG SER A 8 -8.438 -9.916 15.170 1.00 0.39 O ATOM 0 H SER A 8 -8.002 -9.113 11.469 1.00 0.02 H new ATOM 0 HA SER A 8 -9.795 -7.877 13.544 1.00 0.02 H new ATOM 0 HB2 SER A 8 -10.139 -10.122 14.013 1.00 0.30 H new ATOM 0 HB3 SER A 8 -8.649 -10.629 13.241 1.00 0.30 H new ATOM 0 HG SER A 8 -8.047 -10.803 15.312 1.00 0.39 H new ATOM 116 N PHE A 9 -7.833 -6.815 14.670 1.00 0.02 N ATOM 117 CA PHE A 9 -6.669 -6.107 15.290 1.00 0.01 C ATOM 118 C PHE A 9 -6.611 -6.473 16.777 1.00 0.01 C ATOM 119 O PHE A 9 -7.630 -6.533 17.429 1.00 0.02 O ATOM 120 CB PHE A 9 -6.882 -4.595 15.177 1.00 0.02 C ATOM 121 CG PHE A 9 -7.011 -4.179 13.730 1.00 0.01 C ATOM 122 CD1 PHE A 9 -8.245 -4.293 13.077 1.00 0.01 C ATOM 123 CD2 PHE A 9 -5.905 -3.658 13.051 1.00 0.01 C ATOM 124 CE1 PHE A 9 -8.370 -3.885 11.743 1.00 0.02 C ATOM 125 CE2 PHE A 9 -6.028 -3.254 11.717 1.00 0.02 C ATOM 126 CZ PHE A 9 -7.261 -3.366 11.064 1.00 0.02 C ATOM 0 H PHE A 9 -8.745 -6.448 14.941 1.00 0.02 H new ATOM 0 HA PHE A 9 -5.748 -6.396 14.784 1.00 0.01 H new ATOM 0 HB2 PHE A 9 -7.780 -4.308 15.724 1.00 0.02 H new ATOM 0 HB3 PHE A 9 -6.046 -4.070 15.638 1.00 0.02 H new ATOM 0 HD1 PHE A 9 -9.099 -4.695 13.602 1.00 0.01 H new ATOM 0 HD2 PHE A 9 -4.955 -3.567 13.557 1.00 0.01 H new ATOM 0 HE1 PHE A 9 -9.321 -3.971 11.239 1.00 0.02 H new ATOM 0 HE2 PHE A 9 -5.172 -2.856 11.192 1.00 0.02 H new ATOM 0 HZ PHE A 9 -7.357 -3.052 10.035 1.00 0.02 H new ATOM 136 N TYR A 10 -5.437 -6.720 17.321 1.00 0.02 N ATOM 137 CA TYR A 10 -5.330 -7.090 18.777 1.00 0.01 C ATOM 138 C TYR A 10 -4.428 -6.084 19.503 1.00 0.02 C ATOM 139 O TYR A 10 -3.419 -5.645 18.978 1.00 0.01 O ATOM 140 CB TYR A 10 -4.697 -8.478 18.907 1.00 0.02 C ATOM 141 CG TYR A 10 -5.666 -9.550 18.463 1.00 0.02 C ATOM 142 CD1 TYR A 10 -5.695 -9.958 17.123 1.00 0.02 C ATOM 143 CD2 TYR A 10 -6.516 -10.156 19.397 1.00 0.00 C ATOM 144 CE1 TYR A 10 -6.575 -10.969 16.719 1.00 0.02 C ATOM 145 CE2 TYR A 10 -7.398 -11.164 18.991 1.00 0.02 C ATOM 146 CZ TYR A 10 -7.427 -11.571 17.652 1.00 0.00 C ATOM 147 OH TYR A 10 -8.292 -12.570 17.254 1.00 0.02 O ATOM 0 H TYR A 10 -4.549 -6.682 16.821 1.00 0.02 H new ATOM 0 HA TYR A 10 -6.328 -7.085 19.215 1.00 0.01 H new ATOM 0 HB2 TYR A 10 -3.790 -8.528 18.304 1.00 0.02 H new ATOM 0 HB3 TYR A 10 -4.402 -8.653 19.942 1.00 0.02 H new ATOM 0 HD1 TYR A 10 -5.039 -9.493 16.402 1.00 0.02 H new ATOM 0 HD2 TYR A 10 -6.491 -9.845 20.431 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -6.596 -11.285 15.686 1.00 0.02 H new ATOM 0 HE2 TYR A 10 -8.056 -11.628 19.711 1.00 0.02 H new ATOM 0 HH TYR A 10 -8.633 -13.041 18.043 1.00 0.02 H new ATOM 157 N GLU A 11 -4.807 -5.690 20.697 1.00 0.00 N ATOM 158 CA GLU A 11 -4.001 -4.686 21.454 1.00 0.02 C ATOM 159 C GLU A 11 -2.653 -5.262 21.895 1.00 0.03 C ATOM 160 O GLU A 11 -1.699 -4.525 22.052 1.00 0.03 O ATOM 161 CB GLU A 11 -4.775 -4.253 22.711 1.00 0.00 C ATOM 162 CG GLU A 11 -5.878 -3.267 22.332 1.00 0.00 C ATOM 163 CD GLU A 11 -6.577 -2.775 23.599 1.00 0.02 C ATOM 164 OE1 GLU A 11 -6.141 -3.146 24.675 1.00 0.01 O ATOM 165 OE2 GLU A 11 -7.538 -2.034 23.470 1.00 0.02 O ATOM 0 H GLU A 11 -5.642 -6.023 21.178 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.822 -3.838 20.793 1.00 0.02 H new ATOM 0 HB2 GLU A 11 -5.208 -5.126 23.200 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -4.094 -3.792 23.427 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.455 -2.424 21.786 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.598 -3.747 21.669 1.00 0.00 H new ATOM 172 N ASP A 12 -2.551 -6.554 22.108 1.00 0.02 N ATOM 173 CA ASP A 12 -1.246 -7.142 22.554 1.00 0.01 C ATOM 174 C ASP A 12 -0.686 -8.072 21.479 1.00 0.02 C ATOM 175 O ASP A 12 -1.340 -8.402 20.510 1.00 0.02 O ATOM 176 CB ASP A 12 -1.457 -7.946 23.838 1.00 0.01 C ATOM 177 CG ASP A 12 -2.205 -7.086 24.858 1.00 0.01 C ATOM 178 OD1 ASP A 12 -2.001 -5.884 24.853 1.00 0.02 O ATOM 179 OD2 ASP A 12 -2.970 -7.645 25.628 1.00 0.03 O ATOM 0 H ASP A 12 -3.311 -7.224 21.993 1.00 0.02 H new ATOM 0 HA ASP A 12 -0.542 -6.329 22.731 1.00 0.01 H new ATOM 0 HB2 ASP A 12 -2.024 -8.852 23.624 1.00 0.01 H new ATOM 0 HB3 ASP A 12 -0.496 -8.260 24.246 1.00 0.01 H new ATOM 184 N ARG A 13 0.534 -8.484 21.659 1.00 0.02 N ATOM 185 CA ARG A 13 1.197 -9.387 20.678 1.00 0.02 C ATOM 186 C ARG A 13 0.654 -10.811 20.827 1.00 0.00 C ATOM 187 O ARG A 13 0.126 -11.188 21.853 1.00 0.02 O ATOM 188 CB ARG A 13 2.701 -9.379 20.960 1.00 0.00 C ATOM 189 CG ARG A 13 3.291 -8.042 20.502 1.00 0.01 C ATOM 190 CD ARG A 13 4.798 -8.027 20.763 1.00 0.02 C ATOM 191 NE ARG A 13 5.298 -6.625 20.676 1.00 0.03 N ATOM 192 CZ ARG A 13 6.477 -6.322 21.142 1.00 0.02 C ATOM 193 NH1 ARG A 13 7.223 -7.250 21.679 1.00 0.02 N ATOM 194 NH2 ARG A 13 6.911 -5.092 21.072 1.00 0.02 N ATOM 0 H ARG A 13 1.112 -8.229 22.460 1.00 0.02 H new ATOM 0 HA ARG A 13 0.999 -9.043 19.663 1.00 0.02 H new ATOM 0 HB2 ARG A 13 2.885 -9.526 22.024 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.186 -10.203 20.436 1.00 0.00 H new ATOM 0 HG2 ARG A 13 3.095 -7.891 19.440 1.00 0.01 H new ATOM 0 HG3 ARG A 13 2.812 -7.221 21.035 1.00 0.01 H new ATOM 0 HD2 ARG A 13 5.012 -8.442 21.748 1.00 0.02 H new ATOM 0 HD3 ARG A 13 5.311 -8.654 20.034 1.00 0.02 H new ATOM 0 HE ARG A 13 4.717 -5.902 20.251 1.00 0.03 H new ATOM 0 HH11 ARG A 13 6.883 -8.210 21.733 1.00 0.02 H new ATOM 0 HH12 ARG A 13 8.146 -7.015 22.044 1.00 0.02 H new ATOM 0 HH21 ARG A 13 6.327 -4.368 20.653 1.00 0.02 H new ATOM 0 HH22 ARG A 13 7.834 -4.855 21.437 1.00 0.02 H new ATOM 208 N ASN A 14 0.800 -11.602 19.796 1.00 0.02 N ATOM 209 CA ASN A 14 0.321 -13.014 19.837 1.00 0.02 C ATOM 210 C ASN A 14 -1.209 -13.067 19.928 1.00 0.02 C ATOM 211 O ASN A 14 -1.784 -13.930 20.561 1.00 0.02 O ATOM 212 CB ASN A 14 0.968 -13.725 21.034 1.00 0.26 C ATOM 213 CG ASN A 14 0.990 -15.238 20.796 1.00 0.12 C ATOM 214 OD1 ASN A 14 1.975 -15.894 21.070 1.00 0.74 O ATOM 215 ND2 ASN A 14 -0.063 -15.821 20.292 1.00 0.46 N ATOM 0 H ASN A 14 1.236 -11.325 18.917 1.00 0.02 H new ATOM 0 HA ASN A 14 0.610 -13.523 18.917 1.00 0.02 H new ATOM 0 HB2 ASN A 14 1.983 -13.357 21.181 1.00 0.26 H new ATOM 0 HB3 ASN A 14 0.413 -13.500 21.945 1.00 0.26 H new ATOM 0 HD21 ASN A 14 -0.059 -16.828 20.128 1.00 0.46 H new ATOM 0 HD22 ASN A 14 -0.890 -15.270 20.062 1.00 0.46 H new ATOM 222 N PHE A 15 -1.848 -12.118 19.283 1.00 0.02 N ATOM 223 CA PHE A 15 -3.345 -12.024 19.255 1.00 0.02 C ATOM 224 C PHE A 15 -3.933 -12.113 20.662 1.00 0.00 C ATOM 225 O PHE A 15 -4.912 -12.791 20.902 1.00 0.02 O ATOM 226 CB PHE A 15 -3.955 -13.108 18.346 1.00 0.02 C ATOM 227 CG PHE A 15 -3.321 -14.455 18.599 1.00 0.02 C ATOM 228 CD1 PHE A 15 -3.862 -15.313 19.563 1.00 0.02 C ATOM 229 CD2 PHE A 15 -2.195 -14.846 17.864 1.00 0.02 C ATOM 230 CE1 PHE A 15 -3.276 -16.564 19.794 1.00 0.02 C ATOM 231 CE2 PHE A 15 -1.609 -16.097 18.096 1.00 0.02 C ATOM 232 CZ PHE A 15 -2.150 -16.956 19.060 1.00 0.02 C ATOM 0 H PHE A 15 -1.378 -11.381 18.758 1.00 0.02 H new ATOM 0 HA PHE A 15 -3.602 -11.049 18.841 1.00 0.02 H new ATOM 0 HB2 PHE A 15 -5.029 -13.170 18.521 1.00 0.02 H new ATOM 0 HB3 PHE A 15 -3.818 -12.829 17.301 1.00 0.02 H new ATOM 0 HD1 PHE A 15 -4.731 -15.011 20.129 1.00 0.02 H new ATOM 0 HD2 PHE A 15 -1.779 -14.184 17.119 1.00 0.02 H new ATOM 0 HE1 PHE A 15 -3.693 -17.226 20.538 1.00 0.02 H new ATOM 0 HE2 PHE A 15 -0.740 -16.399 17.531 1.00 0.02 H new ATOM 0 HZ PHE A 15 -1.699 -17.921 19.237 1.00 0.02 H new ATOM 242 N GLN A 16 -3.344 -11.401 21.584 1.00 0.02 N ATOM 243 CA GLN A 16 -3.845 -11.383 22.992 1.00 0.02 C ATOM 244 C GLN A 16 -4.381 -9.978 23.289 1.00 0.02 C ATOM 245 O GLN A 16 -4.124 -9.044 22.555 1.00 0.02 O ATOM 246 CB GLN A 16 -2.688 -11.696 23.945 1.00 0.02 C ATOM 247 CG GLN A 16 -2.396 -13.198 23.914 1.00 0.00 C ATOM 248 CD GLN A 16 -1.128 -13.489 24.720 1.00 0.00 C ATOM 249 OE1 GLN A 16 -1.036 -14.504 25.383 1.00 0.02 O ATOM 250 NE2 GLN A 16 -0.139 -12.638 24.690 1.00 0.02 N ATOM 0 H GLN A 16 -2.522 -10.820 21.419 1.00 0.02 H new ATOM 0 HA GLN A 16 -4.631 -12.126 23.126 1.00 0.02 H new ATOM 0 HB2 GLN A 16 -1.800 -11.136 23.653 1.00 0.02 H new ATOM 0 HB3 GLN A 16 -2.942 -11.385 24.958 1.00 0.02 H new ATOM 0 HG2 GLN A 16 -3.238 -13.752 24.329 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -2.270 -13.534 22.885 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -0.216 -11.786 24.134 1.00 0.02 H new ATOM 0 HE22 GLN A 16 0.711 -12.825 25.223 1.00 0.02 H new ATOM 259 N GLY A 17 -5.122 -9.808 24.354 1.00 0.03 N ATOM 260 CA GLY A 17 -5.654 -8.449 24.677 1.00 0.03 C ATOM 261 C GLY A 17 -7.018 -8.223 24.014 1.00 0.02 C ATOM 262 O GLY A 17 -7.634 -9.134 23.499 1.00 0.02 O ATOM 0 H GLY A 17 -5.380 -10.545 25.010 1.00 0.03 H new ATOM 0 HA2 GLY A 17 -5.748 -8.338 25.757 1.00 0.03 H new ATOM 0 HA3 GLY A 17 -4.950 -7.689 24.338 1.00 0.03 H new ATOM 266 N ARG A 18 -7.481 -7.002 24.017 1.00 0.00 N ATOM 267 CA ARG A 18 -8.795 -6.681 23.383 1.00 0.02 C ATOM 268 C ARG A 18 -8.670 -6.830 21.867 1.00 0.02 C ATOM 269 O ARG A 18 -7.644 -6.531 21.286 1.00 0.02 O ATOM 270 CB ARG A 18 -9.178 -5.241 23.726 1.00 0.79 C ATOM 271 CG ARG A 18 -10.534 -4.907 23.098 1.00 1.49 C ATOM 272 CD ARG A 18 -11.077 -3.614 23.709 1.00 1.42 C ATOM 273 NE ARG A 18 -10.020 -2.563 23.679 1.00 2.07 N ATOM 274 CZ ARG A 18 -10.339 -1.311 23.860 1.00 2.35 C ATOM 275 NH1 ARG A 18 -11.584 -0.978 24.063 1.00 2.53 N ATOM 276 NH2 ARG A 18 -9.413 -0.390 23.836 1.00 2.76 N ATOM 0 H ARG A 18 -7.001 -6.205 24.435 1.00 0.00 H new ATOM 0 HA ARG A 18 -9.563 -7.361 23.753 1.00 0.02 H new ATOM 0 HB2 ARG A 18 -9.226 -5.114 24.808 1.00 0.79 H new ATOM 0 HB3 ARG A 18 -8.416 -4.554 23.358 1.00 0.79 H new ATOM 0 HG2 ARG A 18 -10.429 -4.795 22.019 1.00 1.49 H new ATOM 0 HG3 ARG A 18 -11.236 -5.724 23.267 1.00 1.49 H new ATOM 0 HD2 ARG A 18 -11.953 -3.278 23.155 1.00 1.42 H new ATOM 0 HD3 ARG A 18 -11.398 -3.792 24.735 1.00 1.42 H new ATOM 0 HE ARG A 18 -9.047 -2.823 23.517 1.00 2.07 H new ATOM 0 HH11 ARG A 18 -12.308 -1.696 24.080 1.00 2.53 H new ATOM 0 HH12 ARG A 18 -11.834 0.001 24.205 1.00 2.53 H new ATOM 0 HH21 ARG A 18 -8.440 -0.649 23.676 1.00 2.76 H new ATOM 0 HH22 ARG A 18 -9.663 0.589 23.978 1.00 2.76 H new ATOM 290 N ARG A 19 -9.709 -7.312 21.223 1.00 0.02 N ATOM 291 CA ARG A 19 -9.669 -7.513 19.738 1.00 0.02 C ATOM 292 C ARG A 19 -10.752 -6.671 19.056 1.00 0.02 C ATOM 293 O ARG A 19 -11.818 -6.445 19.595 1.00 0.02 O ATOM 294 CB ARG A 19 -9.936 -8.994 19.440 1.00 0.85 C ATOM 295 CG ARG A 19 -9.717 -9.287 17.950 1.00 1.31 C ATOM 296 CD ARG A 19 -10.289 -10.664 17.612 1.00 1.34 C ATOM 297 NE ARG A 19 -11.776 -10.581 17.564 1.00 1.50 N ATOM 298 CZ ARG A 19 -12.464 -11.539 17.006 1.00 1.63 C ATOM 299 NH1 ARG A 19 -11.851 -12.565 16.487 1.00 1.72 N ATOM 300 NH2 ARG A 19 -13.766 -11.466 16.964 1.00 1.89 N ATOM 0 H ARG A 19 -10.589 -7.576 21.666 1.00 0.02 H new ATOM 0 HA ARG A 19 -8.693 -7.210 19.360 1.00 0.02 H new ATOM 0 HB2 ARG A 19 -9.274 -9.618 20.041 1.00 0.85 H new ATOM 0 HB3 ARG A 19 -10.958 -9.250 19.721 1.00 0.85 H new ATOM 0 HG2 ARG A 19 -10.200 -8.522 17.343 1.00 1.31 H new ATOM 0 HG3 ARG A 19 -8.653 -9.256 17.715 1.00 1.31 H new ATOM 0 HD2 ARG A 19 -9.901 -11.006 16.652 1.00 1.34 H new ATOM 0 HD3 ARG A 19 -9.978 -11.393 18.360 1.00 1.34 H new ATOM 0 HE ARG A 19 -12.256 -9.776 17.967 1.00 1.50 H new ATOM 0 HH11 ARG A 19 -10.833 -12.619 16.517 1.00 1.72 H new ATOM 0 HH12 ARG A 19 -12.389 -13.314 16.051 1.00 1.72 H new ATOM 0 HH21 ARG A 19 -14.245 -10.661 17.367 1.00 1.89 H new ATOM 0 HH22 ARG A 19 -14.305 -12.214 16.528 1.00 1.89 H new ATOM 314 N TYR A 20 -10.484 -6.233 17.850 1.00 0.02 N ATOM 315 CA TYR A 20 -11.478 -5.430 17.072 1.00 0.02 C ATOM 316 C TYR A 20 -11.565 -6.026 15.663 1.00 0.02 C ATOM 317 O TYR A 20 -10.567 -6.192 14.993 1.00 0.02 O ATOM 318 CB TYR A 20 -11.017 -3.968 16.994 1.00 0.02 C ATOM 319 CG TYR A 20 -11.864 -3.216 15.987 1.00 0.01 C ATOM 320 CD1 TYR A 20 -13.238 -3.063 16.208 1.00 0.02 C ATOM 321 CD2 TYR A 20 -11.278 -2.677 14.832 1.00 0.01 C ATOM 322 CE1 TYR A 20 -14.025 -2.373 15.278 1.00 0.02 C ATOM 323 CE2 TYR A 20 -12.065 -1.988 13.904 1.00 0.02 C ATOM 324 CZ TYR A 20 -13.438 -1.835 14.126 1.00 0.02 C ATOM 325 OH TYR A 20 -14.212 -1.156 13.209 1.00 0.01 O ATOM 0 H TYR A 20 -9.603 -6.401 17.364 1.00 0.02 H new ATOM 0 HA TYR A 20 -12.454 -5.459 17.556 1.00 0.02 H new ATOM 0 HB2 TYR A 20 -11.099 -3.499 17.974 1.00 0.02 H new ATOM 0 HB3 TYR A 20 -9.967 -3.923 16.705 1.00 0.02 H new ATOM 0 HD1 TYR A 20 -13.691 -3.477 17.096 1.00 0.02 H new ATOM 0 HD2 TYR A 20 -10.218 -2.794 14.659 1.00 0.01 H new ATOM 0 HE1 TYR A 20 -15.085 -2.256 15.449 1.00 0.02 H new ATOM 0 HE2 TYR A 20 -11.613 -1.574 13.015 1.00 0.02 H new ATOM 0 HH TYR A 20 -13.716 -1.060 12.369 1.00 0.01 H new ATOM 335 N ASP A 21 -12.752 -6.360 15.221 1.00 0.01 N ATOM 336 CA ASP A 21 -12.930 -6.967 13.861 1.00 0.02 C ATOM 337 C ASP A 21 -13.708 -6.004 12.963 1.00 0.00 C ATOM 338 O ASP A 21 -14.675 -5.396 13.379 1.00 0.01 O ATOM 339 CB ASP A 21 -13.717 -8.273 14.005 1.00 0.12 C ATOM 340 CG ASP A 21 -12.802 -9.362 14.571 1.00 0.41 C ATOM 341 OD1 ASP A 21 -12.230 -9.138 15.626 1.00 1.12 O ATOM 342 OD2 ASP A 21 -12.689 -10.400 13.941 1.00 0.56 O ATOM 0 H ASP A 21 -13.616 -6.237 15.749 1.00 0.01 H new ATOM 0 HA ASP A 21 -11.955 -7.163 13.415 1.00 0.02 H new ATOM 0 HB2 ASP A 21 -14.572 -8.124 14.664 1.00 0.12 H new ATOM 0 HB3 ASP A 21 -14.111 -8.581 13.036 1.00 0.12 H new ATOM 347 N CYS A 22 -13.286 -5.867 11.727 1.00 0.01 N ATOM 348 CA CYS A 22 -13.990 -4.948 10.777 1.00 0.00 C ATOM 349 C CYS A 22 -14.236 -5.675 9.451 1.00 0.02 C ATOM 350 O CYS A 22 -13.394 -6.412 8.959 1.00 0.01 O ATOM 351 CB CYS A 22 -13.148 -3.673 10.568 1.00 0.00 C ATOM 352 SG CYS A 22 -11.997 -3.873 9.181 1.00 0.02 S ATOM 0 H CYS A 22 -12.481 -6.355 11.335 1.00 0.01 H new ATOM 0 HA CYS A 22 -14.955 -4.653 11.190 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -13.806 -2.825 10.379 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -12.591 -3.448 11.478 1.00 0.00 H new ATOM 0 HG CYS A 22 -12.619 -3.640 8.064 1.00 0.02 H new ATOM 358 N ASP A 23 -15.394 -5.467 8.875 1.00 0.01 N ATOM 359 CA ASP A 23 -15.750 -6.126 7.580 1.00 0.02 C ATOM 360 C ASP A 23 -15.933 -5.059 6.501 1.00 0.00 C ATOM 361 O ASP A 23 -16.418 -5.330 5.421 1.00 0.02 O ATOM 362 CB ASP A 23 -17.054 -6.906 7.755 1.00 0.16 C ATOM 363 CG ASP A 23 -17.003 -7.701 9.060 1.00 0.17 C ATOM 364 OD1 ASP A 23 -15.917 -7.852 9.596 1.00 0.17 O ATOM 365 OD2 ASP A 23 -18.049 -8.144 9.503 1.00 0.20 O ATOM 0 H ASP A 23 -16.120 -4.858 9.254 1.00 0.01 H new ATOM 0 HA ASP A 23 -14.953 -6.808 7.283 1.00 0.02 H new ATOM 0 HB2 ASP A 23 -17.901 -6.220 7.768 1.00 0.16 H new ATOM 0 HB3 ASP A 23 -17.202 -7.580 6.912 1.00 0.16 H new ATOM 370 N CYS A 24 -15.534 -3.847 6.780 1.00 0.01 N ATOM 371 CA CYS A 24 -15.666 -2.758 5.771 1.00 0.01 C ATOM 372 C CYS A 24 -14.670 -1.653 6.130 1.00 0.01 C ATOM 373 O CYS A 24 -14.010 -1.719 7.147 1.00 0.01 O ATOM 374 CB CYS A 24 -17.092 -2.200 5.792 1.00 0.62 C ATOM 375 SG CYS A 24 -17.631 -1.984 7.507 1.00 1.23 S ATOM 0 H CYS A 24 -15.120 -3.564 7.668 1.00 0.01 H new ATOM 0 HA CYS A 24 -15.459 -3.142 4.772 1.00 0.01 H new ATOM 0 HB2 CYS A 24 -17.128 -1.246 5.265 1.00 0.62 H new ATOM 0 HB3 CYS A 24 -17.767 -2.878 5.270 1.00 0.62 H new ATOM 0 HG CYS A 24 -18.841 -1.508 7.525 1.00 1.23 H new ATOM 381 N ASP A 25 -14.537 -0.644 5.313 1.00 0.02 N ATOM 382 CA ASP A 25 -13.567 0.441 5.632 1.00 0.01 C ATOM 383 C ASP A 25 -13.957 1.133 6.939 1.00 0.02 C ATOM 384 O ASP A 25 -15.122 1.320 7.231 1.00 0.00 O ATOM 385 CB ASP A 25 -13.577 1.473 4.503 1.00 0.01 C ATOM 386 CG ASP A 25 -13.167 0.802 3.191 1.00 0.01 C ATOM 387 OD1 ASP A 25 -13.871 -0.098 2.764 1.00 0.01 O ATOM 388 OD2 ASP A 25 -12.155 1.199 2.636 1.00 0.01 O ATOM 0 H ASP A 25 -15.055 -0.524 4.443 1.00 0.02 H new ATOM 0 HA ASP A 25 -12.573 0.007 5.738 1.00 0.01 H new ATOM 0 HB2 ASP A 25 -14.571 1.910 4.405 1.00 0.01 H new ATOM 0 HB3 ASP A 25 -12.892 2.288 4.736 1.00 0.01 H new ATOM 393 N CYS A 26 -12.980 1.544 7.713 1.00 0.01 N ATOM 394 CA CYS A 26 -13.265 2.263 8.997 1.00 0.01 C ATOM 395 C CYS A 26 -12.395 3.522 9.053 1.00 0.01 C ATOM 396 O CYS A 26 -11.181 3.448 9.054 1.00 0.01 O ATOM 397 CB CYS A 26 -12.942 1.357 10.187 1.00 0.01 C ATOM 398 SG CYS A 26 -13.914 -0.166 10.069 1.00 0.02 S ATOM 0 H CYS A 26 -11.990 1.411 7.509 1.00 0.01 H new ATOM 0 HA CYS A 26 -14.320 2.535 9.043 1.00 0.01 H new ATOM 0 HB2 CYS A 26 -11.878 1.122 10.200 1.00 0.01 H new ATOM 0 HB3 CYS A 26 -13.166 1.872 11.121 1.00 0.01 H new ATOM 0 HG CYS A 26 -13.756 -0.692 8.891 1.00 0.02 H new ATOM 404 N ALA A 27 -13.007 4.681 9.065 1.00 0.01 N ATOM 405 CA ALA A 27 -12.219 5.947 9.076 1.00 0.01 C ATOM 406 C ALA A 27 -11.648 6.218 10.468 1.00 0.01 C ATOM 407 O ALA A 27 -10.697 6.957 10.624 1.00 0.02 O ATOM 408 CB ALA A 27 -13.118 7.113 8.659 1.00 0.24 C ATOM 0 H ALA A 27 -14.020 4.802 9.068 1.00 0.01 H new ATOM 0 HA ALA A 27 -11.392 5.846 8.373 1.00 0.01 H new ATOM 0 HB1 ALA A 27 -12.541 8.038 8.667 1.00 0.24 H new ATOM 0 HB2 ALA A 27 -13.503 6.934 7.655 1.00 0.24 H new ATOM 0 HB3 ALA A 27 -13.951 7.198 9.357 1.00 0.24 H new ATOM 414 N ASP A 28 -12.226 5.642 11.484 1.00 0.01 N ATOM 415 CA ASP A 28 -11.715 5.870 12.865 1.00 0.02 C ATOM 416 C ASP A 28 -12.159 4.704 13.747 1.00 0.01 C ATOM 417 O ASP A 28 -13.292 4.643 14.182 1.00 0.02 O ATOM 418 CB ASP A 28 -12.281 7.179 13.416 1.00 0.67 C ATOM 419 CG ASP A 28 -11.539 7.555 14.699 1.00 0.90 C ATOM 420 OD1 ASP A 28 -10.547 6.909 14.998 1.00 1.14 O ATOM 421 OD2 ASP A 28 -11.973 8.482 15.362 1.00 0.87 O ATOM 0 H ASP A 28 -13.033 5.021 11.418 1.00 0.01 H new ATOM 0 HA ASP A 28 -10.627 5.935 12.853 1.00 0.02 H new ATOM 0 HB2 ASP A 28 -12.176 7.973 12.677 1.00 0.67 H new ATOM 0 HB3 ASP A 28 -13.347 7.070 13.618 1.00 0.67 H new ATOM 426 N PHE A 29 -11.271 3.778 14.018 1.00 0.02 N ATOM 427 CA PHE A 29 -11.627 2.600 14.881 1.00 0.02 C ATOM 428 C PHE A 29 -11.008 2.764 16.273 1.00 0.00 C ATOM 429 O PHE A 29 -10.984 1.856 17.085 1.00 0.02 O ATOM 430 CB PHE A 29 -11.169 1.297 14.212 1.00 2.87 C ATOM 431 CG PHE A 29 -9.682 1.091 14.369 1.00 3.99 C ATOM 432 CD1 PHE A 29 -8.792 1.768 13.529 1.00 4.52 C ATOM 433 CD2 PHE A 29 -9.195 0.204 15.336 1.00 4.68 C ATOM 434 CE1 PHE A 29 -7.414 1.559 13.659 1.00 5.75 C ATOM 435 CE2 PHE A 29 -7.819 -0.006 15.463 1.00 5.85 C ATOM 436 CZ PHE A 29 -6.930 0.672 14.625 1.00 6.37 C ATOM 0 H PHE A 29 -10.309 3.785 13.678 1.00 0.02 H new ATOM 0 HA PHE A 29 -12.710 2.552 14.998 1.00 0.02 H new ATOM 0 HB2 PHE A 29 -11.703 0.454 14.650 1.00 2.87 H new ATOM 0 HB3 PHE A 29 -11.425 1.321 13.153 1.00 2.87 H new ATOM 0 HD1 PHE A 29 -9.167 2.451 12.781 1.00 4.52 H new ATOM 0 HD2 PHE A 29 -9.883 -0.318 15.984 1.00 4.68 H new ATOM 0 HE1 PHE A 29 -6.725 2.083 13.013 1.00 5.75 H new ATOM 0 HE2 PHE A 29 -7.443 -0.692 16.208 1.00 5.85 H new ATOM 0 HZ PHE A 29 -5.867 0.510 14.724 1.00 6.37 H new ATOM 446 N ARG A 30 -10.482 3.928 16.535 1.00 0.01 N ATOM 447 CA ARG A 30 -9.836 4.197 17.849 1.00 0.00 C ATOM 448 C ARG A 30 -10.835 4.015 18.999 1.00 0.01 C ATOM 449 O ARG A 30 -10.445 3.790 20.128 1.00 0.02 O ATOM 450 CB ARG A 30 -9.310 5.633 17.870 1.00 0.32 C ATOM 451 CG ARG A 30 -8.273 5.814 16.760 1.00 0.86 C ATOM 452 CD ARG A 30 -7.794 7.267 16.739 1.00 1.62 C ATOM 453 NE ARG A 30 -7.316 7.650 18.098 1.00 2.25 N ATOM 454 CZ ARG A 30 -6.582 8.718 18.257 1.00 2.70 C ATOM 455 NH1 ARG A 30 -6.265 9.453 17.226 1.00 3.11 N ATOM 456 NH2 ARG A 30 -6.165 9.051 19.448 1.00 3.02 N ATOM 0 H ARG A 30 -10.473 4.714 15.885 1.00 0.01 H new ATOM 0 HA ARG A 30 -9.017 3.490 17.981 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -10.133 6.335 17.731 1.00 0.32 H new ATOM 0 HB3 ARG A 30 -8.863 5.853 18.839 1.00 0.32 H new ATOM 0 HG2 ARG A 30 -7.429 5.144 16.924 1.00 0.86 H new ATOM 0 HG3 ARG A 30 -8.707 5.549 15.796 1.00 0.86 H new ATOM 0 HD2 ARG A 30 -6.991 7.386 16.012 1.00 1.62 H new ATOM 0 HD3 ARG A 30 -8.606 7.925 16.428 1.00 1.62 H new ATOM 0 HE ARG A 30 -7.563 7.077 18.905 1.00 2.25 H new ATOM 0 HH11 ARG A 30 -6.591 9.193 16.295 1.00 3.11 H new ATOM 0 HH12 ARG A 30 -5.692 10.287 17.351 1.00 3.11 H new ATOM 0 HH21 ARG A 30 -6.413 8.477 20.254 1.00 3.02 H new ATOM 0 HH22 ARG A 30 -5.592 9.885 19.573 1.00 3.02 H new ATOM 470 N SER A 31 -12.115 4.129 18.745 1.00 0.02 N ATOM 471 CA SER A 31 -13.111 3.983 19.848 1.00 0.02 C ATOM 472 C SER A 31 -13.281 2.509 20.218 1.00 0.01 C ATOM 473 O SER A 31 -13.810 2.179 21.261 1.00 0.02 O ATOM 474 CB SER A 31 -14.457 4.546 19.388 1.00 0.37 C ATOM 475 OG SER A 31 -14.754 4.048 18.090 1.00 0.88 O ATOM 0 H SER A 31 -12.511 4.316 17.824 1.00 0.02 H new ATOM 0 HA SER A 31 -12.756 4.529 20.722 1.00 0.02 H new ATOM 0 HB2 SER A 31 -15.242 4.261 20.088 1.00 0.37 H new ATOM 0 HB3 SER A 31 -14.423 5.635 19.373 1.00 0.37 H new ATOM 0 HG SER A 31 -15.617 4.405 17.792 1.00 0.88 H new ATOM 481 N TYR A 32 -12.848 1.621 19.364 1.00 0.01 N ATOM 482 CA TYR A 32 -12.993 0.160 19.648 1.00 0.01 C ATOM 483 C TYR A 32 -11.647 -0.390 20.106 1.00 0.02 C ATOM 484 O TYR A 32 -11.566 -1.422 20.743 1.00 0.02 O ATOM 485 CB TYR A 32 -13.424 -0.555 18.365 1.00 0.02 C ATOM 486 CG TYR A 32 -14.887 -0.277 18.099 1.00 0.02 C ATOM 487 CD1 TYR A 32 -15.863 -0.798 18.957 1.00 0.01 C ATOM 488 CD2 TYR A 32 -15.268 0.501 16.998 1.00 0.01 C ATOM 489 CE1 TYR A 32 -17.219 -0.543 18.714 1.00 0.00 C ATOM 490 CE2 TYR A 32 -16.623 0.756 16.755 1.00 0.02 C ATOM 491 CZ TYR A 32 -17.598 0.234 17.613 1.00 0.02 C ATOM 492 OH TYR A 32 -18.933 0.486 17.372 1.00 0.02 O ATOM 0 H TYR A 32 -12.397 1.844 18.477 1.00 0.01 H new ATOM 0 HA TYR A 32 -13.740 0.001 20.426 1.00 0.01 H new ATOM 0 HB2 TYR A 32 -12.819 -0.213 17.525 1.00 0.02 H new ATOM 0 HB3 TYR A 32 -13.258 -1.628 18.461 1.00 0.02 H new ATOM 0 HD1 TYR A 32 -15.570 -1.397 19.807 1.00 0.01 H new ATOM 0 HD2 TYR A 32 -14.516 0.904 16.336 1.00 0.01 H new ATOM 0 HE1 TYR A 32 -17.972 -0.946 19.376 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -16.916 1.355 15.906 1.00 0.02 H new ATOM 0 HH TYR A 32 -19.021 1.041 16.569 1.00 0.02 H new ATOM 502 N LEU A 33 -10.587 0.295 19.781 1.00 0.02 N ATOM 503 CA LEU A 33 -9.230 -0.177 20.186 1.00 0.02 C ATOM 504 C LEU A 33 -8.315 1.047 20.363 1.00 0.02 C ATOM 505 O LEU A 33 -8.232 1.910 19.513 1.00 0.02 O ATOM 506 CB LEU A 33 -8.675 -1.089 19.069 1.00 1.66 C ATOM 507 CG LEU A 33 -7.932 -2.296 19.674 1.00 2.38 C ATOM 508 CD1 LEU A 33 -8.917 -3.234 20.411 1.00 3.32 C ATOM 509 CD2 LEU A 33 -7.224 -3.065 18.549 1.00 2.80 C ATOM 0 H LEU A 33 -10.600 1.166 19.250 1.00 0.02 H new ATOM 0 HA LEU A 33 -9.278 -0.733 21.123 1.00 0.02 H new ATOM 0 HB2 LEU A 33 -9.492 -1.437 18.437 1.00 1.66 H new ATOM 0 HB3 LEU A 33 -7.998 -0.521 18.431 1.00 1.66 H new ATOM 0 HG LEU A 33 -7.200 -1.935 20.396 1.00 2.38 H new ATOM 0 HD11 LEU A 33 -8.370 -4.079 20.830 1.00 3.32 H new ATOM 0 HD12 LEU A 33 -9.409 -2.686 21.214 1.00 3.32 H new ATOM 0 HD13 LEU A 33 -9.666 -3.599 19.709 1.00 3.32 H new ATOM 0 HD21 LEU A 33 -6.696 -3.921 18.970 1.00 2.80 H new ATOM 0 HD22 LEU A 33 -7.962 -3.413 17.826 1.00 2.80 H new ATOM 0 HD23 LEU A 33 -6.511 -2.407 18.052 1.00 2.80 H new ATOM 521 N SER A 34 -7.649 1.118 21.485 1.00 0.02 N ATOM 522 CA SER A 34 -6.751 2.277 21.766 1.00 0.02 C ATOM 523 C SER A 34 -5.354 2.038 21.184 1.00 0.00 C ATOM 524 O SER A 34 -4.525 2.925 21.159 1.00 0.01 O ATOM 525 CB SER A 34 -6.641 2.463 23.280 1.00 0.02 C ATOM 526 OG SER A 34 -5.790 3.569 23.556 1.00 0.02 O ATOM 0 H SER A 34 -7.689 0.417 22.225 1.00 0.02 H new ATOM 0 HA SER A 34 -7.172 3.169 21.302 1.00 0.02 H new ATOM 0 HB2 SER A 34 -7.628 2.632 23.710 1.00 0.02 H new ATOM 0 HB3 SER A 34 -6.243 1.559 23.741 1.00 0.02 H new ATOM 0 HG SER A 34 -5.152 3.682 22.821 1.00 0.02 H new ATOM 532 N ARG A 35 -5.079 0.845 20.727 1.00 0.02 N ATOM 533 CA ARG A 35 -3.732 0.538 20.161 1.00 0.01 C ATOM 534 C ARG A 35 -3.805 -0.843 19.504 1.00 0.02 C ATOM 535 O ARG A 35 -4.703 -1.612 19.777 1.00 0.02 O ATOM 536 CB ARG A 35 -2.709 0.520 21.302 1.00 0.02 C ATOM 537 CG ARG A 35 -1.289 0.565 20.740 1.00 0.02 C ATOM 538 CD ARG A 35 -0.289 0.417 21.890 1.00 0.02 C ATOM 539 NE ARG A 35 -0.471 -0.916 22.532 1.00 0.02 N ATOM 540 CZ ARG A 35 0.439 -1.383 23.342 1.00 0.02 C ATOM 541 NH1 ARG A 35 1.513 -0.686 23.588 1.00 0.00 N ATOM 542 NH2 ARG A 35 0.274 -2.550 23.907 1.00 0.02 N ATOM 0 H ARG A 35 -5.735 0.064 20.721 1.00 0.02 H new ATOM 0 HA ARG A 35 -3.434 1.286 19.427 1.00 0.01 H new ATOM 0 HB2 ARG A 35 -2.874 1.372 21.961 1.00 0.02 H new ATOM 0 HB3 ARG A 35 -2.841 -0.379 21.904 1.00 0.02 H new ATOM 0 HG2 ARG A 35 -1.147 -0.235 20.013 1.00 0.02 H new ATOM 0 HG3 ARG A 35 -1.122 1.506 20.215 1.00 0.02 H new ATOM 0 HD2 ARG A 35 0.730 0.517 21.516 1.00 0.02 H new ATOM 0 HD3 ARG A 35 -0.440 1.210 22.623 1.00 0.02 H new ATOM 0 HE ARG A 35 -1.309 -1.464 22.338 1.00 0.02 H new ATOM 0 HH11 ARG A 35 1.642 0.225 23.147 1.00 0.00 H new ATOM 0 HH12 ARG A 35 2.224 -1.051 24.221 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -0.566 -3.096 23.715 1.00 0.02 H new ATOM 0 HH22 ARG A 35 0.985 -2.915 24.540 1.00 0.02 H new ATOM 556 N CYS A 36 -2.881 -1.176 18.636 1.00 0.02 N ATOM 557 CA CYS A 36 -2.916 -2.517 17.970 1.00 0.02 C ATOM 558 C CYS A 36 -1.487 -3.052 17.846 1.00 0.02 C ATOM 559 O CYS A 36 -0.682 -2.477 17.139 1.00 0.02 O ATOM 560 CB CYS A 36 -3.532 -2.366 16.571 1.00 0.02 C ATOM 561 SG CYS A 36 -4.813 -1.090 16.610 1.00 0.02 S ATOM 0 H CYS A 36 -2.103 -0.577 18.359 1.00 0.02 H new ATOM 0 HA CYS A 36 -3.515 -3.211 18.560 1.00 0.02 H new ATOM 0 HB2 CYS A 36 -2.760 -2.099 15.849 1.00 0.02 H new ATOM 0 HB3 CYS A 36 -3.959 -3.315 16.246 1.00 0.02 H new ATOM 0 HG CYS A 36 -5.681 -1.317 15.669 1.00 0.02 H new ATOM 567 N ASN A 37 -1.141 -4.121 18.533 1.00 0.02 N ATOM 568 CA ASN A 37 0.261 -4.644 18.450 1.00 0.01 C ATOM 569 C ASN A 37 0.306 -5.943 17.638 1.00 0.02 C ATOM 570 O ASN A 37 1.359 -6.488 17.369 1.00 0.02 O ATOM 571 CB ASN A 37 0.801 -4.906 19.862 1.00 0.02 C ATOM 572 CG ASN A 37 2.329 -4.987 19.826 1.00 0.01 C ATOM 573 OD1 ASN A 37 2.979 -4.878 20.847 1.00 0.03 O ATOM 574 ND2 ASN A 37 2.934 -5.175 18.686 1.00 0.02 N ATOM 0 H ASN A 37 -1.766 -4.649 19.143 1.00 0.02 H new ATOM 0 HA ASN A 37 0.879 -3.897 17.952 1.00 0.01 H new ATOM 0 HB2 ASN A 37 0.486 -4.109 20.535 1.00 0.02 H new ATOM 0 HB3 ASN A 37 0.387 -5.836 20.253 1.00 0.02 H new ATOM 0 HD21 ASN A 37 3.952 -5.230 18.652 1.00 0.02 H new ATOM 0 HD22 ASN A 37 2.389 -5.267 17.829 1.00 0.02 H new ATOM 581 N SER A 38 -0.837 -6.420 17.217 1.00 0.02 N ATOM 582 CA SER A 38 -0.884 -7.658 16.383 1.00 0.02 C ATOM 583 C SER A 38 -2.157 -7.618 15.535 1.00 0.01 C ATOM 584 O SER A 38 -3.131 -6.980 15.885 1.00 0.02 O ATOM 585 CB SER A 38 -0.880 -8.908 17.267 1.00 0.01 C ATOM 586 OG SER A 38 -1.496 -9.981 16.567 1.00 0.02 O ATOM 0 H SER A 38 -1.746 -6.002 17.417 1.00 0.02 H new ATOM 0 HA SER A 38 -0.004 -7.701 15.741 1.00 0.02 H new ATOM 0 HB2 SER A 38 0.142 -9.174 17.536 1.00 0.01 H new ATOM 0 HB3 SER A 38 -1.414 -8.711 18.197 1.00 0.01 H new ATOM 0 HG SER A 38 -0.997 -10.164 15.744 1.00 0.02 H new ATOM 592 N ILE A 39 -2.153 -8.273 14.402 1.00 0.02 N ATOM 593 CA ILE A 39 -3.359 -8.245 13.518 1.00 0.02 C ATOM 594 C ILE A 39 -3.512 -9.581 12.789 1.00 0.02 C ATOM 595 O ILE A 39 -2.548 -10.223 12.424 1.00 0.02 O ATOM 596 CB ILE A 39 -3.187 -7.138 12.470 1.00 0.00 C ATOM 597 CG1 ILE A 39 -2.625 -5.879 13.137 1.00 0.01 C ATOM 598 CG2 ILE A 39 -4.542 -6.816 11.837 1.00 0.01 C ATOM 599 CD1 ILE A 39 -2.549 -4.750 12.109 1.00 0.00 C ATOM 0 H ILE A 39 -1.370 -8.824 14.051 1.00 0.02 H new ATOM 0 HA ILE A 39 -4.241 -8.061 14.131 1.00 0.02 H new ATOM 0 HB ILE A 39 -2.496 -7.478 11.698 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -3.259 -5.583 13.972 1.00 0.01 H new ATOM 0 HG13 ILE A 39 -1.635 -6.081 13.545 1.00 0.01 H new ATOM 0 HG21 ILE A 39 -4.418 -6.029 11.093 1.00 0.01 H new ATOM 0 HG22 ILE A 39 -4.941 -7.710 11.357 1.00 0.01 H new ATOM 0 HG23 ILE A 39 -5.234 -6.479 12.609 1.00 0.01 H new ATOM 0 HD11 ILE A 39 -2.149 -3.853 12.582 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.897 -5.049 11.288 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -3.547 -4.542 11.722 1.00 0.00 H new ATOM 611 N ARG A 40 -4.738 -9.965 12.534 1.00 0.02 N ATOM 612 CA ARG A 40 -5.015 -11.222 11.775 1.00 0.02 C ATOM 613 C ARG A 40 -5.902 -10.866 10.581 1.00 0.01 C ATOM 614 O ARG A 40 -6.972 -10.311 10.747 1.00 0.02 O ATOM 615 CB ARG A 40 -5.738 -12.253 12.648 1.00 0.01 C ATOM 616 CG ARG A 40 -5.862 -13.573 11.886 1.00 0.02 C ATOM 617 CD ARG A 40 -6.604 -14.594 12.750 1.00 0.02 C ATOM 618 NE ARG A 40 -7.968 -14.082 13.058 1.00 0.02 N ATOM 619 CZ ARG A 40 -8.880 -14.890 13.527 1.00 0.02 C ATOM 620 NH1 ARG A 40 -8.599 -16.149 13.726 1.00 0.02 N ATOM 621 NH2 ARG A 40 -10.073 -14.436 13.797 1.00 0.02 N ATOM 0 H ARG A 40 -5.571 -9.452 12.824 1.00 0.02 H new ATOM 0 HA ARG A 40 -4.070 -11.659 11.451 1.00 0.02 H new ATOM 0 HB2 ARG A 40 -5.188 -12.408 13.577 1.00 0.01 H new ATOM 0 HB3 ARG A 40 -6.727 -11.884 12.920 1.00 0.01 H new ATOM 0 HG2 ARG A 40 -6.398 -13.416 10.950 1.00 0.02 H new ATOM 0 HG3 ARG A 40 -4.873 -13.950 11.628 1.00 0.02 H new ATOM 0 HD2 ARG A 40 -6.671 -15.548 12.228 1.00 0.02 H new ATOM 0 HD3 ARG A 40 -6.054 -14.774 13.674 1.00 0.02 H new ATOM 0 HE ARG A 40 -8.190 -13.099 12.902 1.00 0.02 H new ATOM 0 HH11 ARG A 40 -7.666 -16.503 13.515 1.00 0.02 H new ATOM 0 HH12 ARG A 40 -9.313 -16.779 14.092 1.00 0.02 H new ATOM 0 HH21 ARG A 40 -10.291 -13.452 13.642 1.00 0.02 H new ATOM 0 HH22 ARG A 40 -10.787 -15.065 14.163 1.00 0.02 H new ATOM 635 N VAL A 41 -5.504 -11.219 9.386 1.00 0.02 N ATOM 636 CA VAL A 41 -6.367 -10.947 8.196 1.00 0.01 C ATOM 637 C VAL A 41 -6.982 -12.279 7.779 1.00 0.02 C ATOM 638 O VAL A 41 -6.286 -13.193 7.386 1.00 0.02 O ATOM 639 CB VAL A 41 -5.532 -10.354 7.063 1.00 0.01 C ATOM 640 CG1 VAL A 41 -6.462 -9.921 5.925 1.00 0.02 C ATOM 641 CG2 VAL A 41 -4.786 -9.127 7.587 1.00 0.00 C ATOM 0 H VAL A 41 -4.619 -11.684 9.182 1.00 0.02 H new ATOM 0 HA VAL A 41 -7.148 -10.224 8.433 1.00 0.01 H new ATOM 0 HB VAL A 41 -4.822 -11.097 6.699 1.00 0.01 H new ATOM 0 HG11 VAL A 41 -5.871 -9.497 5.113 1.00 0.02 H new ATOM 0 HG12 VAL A 41 -7.015 -10.786 5.558 1.00 0.02 H new ATOM 0 HG13 VAL A 41 -7.163 -9.172 6.293 1.00 0.02 H new ATOM 0 HG21 VAL A 41 -4.186 -8.696 6.785 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -5.505 -8.388 7.940 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.134 -9.421 8.410 1.00 0.00 H new ATOM 651 N GLU A 42 -8.279 -12.410 7.899 1.00 0.01 N ATOM 652 CA GLU A 42 -8.934 -13.704 7.549 1.00 0.01 C ATOM 653 C GLU A 42 -9.200 -13.759 6.052 1.00 0.02 C ATOM 654 O GLU A 42 -9.131 -14.811 5.448 1.00 0.01 O ATOM 655 CB GLU A 42 -10.250 -13.837 8.317 1.00 0.99 C ATOM 656 CG GLU A 42 -10.020 -13.467 9.785 1.00 1.86 C ATOM 657 CD GLU A 42 -11.326 -13.618 10.566 1.00 3.10 C ATOM 658 OE1 GLU A 42 -12.178 -12.756 10.431 1.00 3.81 O ATOM 659 OE2 GLU A 42 -11.453 -14.594 11.288 1.00 3.67 O ATOM 0 H GLU A 42 -8.910 -11.678 8.224 1.00 0.01 H new ATOM 0 HA GLU A 42 -8.274 -14.527 7.823 1.00 0.01 H new ATOM 0 HB2 GLU A 42 -11.007 -13.185 7.880 1.00 0.99 H new ATOM 0 HB3 GLU A 42 -10.626 -14.857 8.242 1.00 0.99 H new ATOM 0 HG2 GLU A 42 -9.251 -14.109 10.216 1.00 1.86 H new ATOM 0 HG3 GLU A 42 -9.657 -12.442 9.859 1.00 1.86 H new ATOM 666 N GLY A 43 -9.510 -12.655 5.437 1.00 0.01 N ATOM 667 CA GLY A 43 -9.780 -12.704 3.974 1.00 0.02 C ATOM 668 C GLY A 43 -9.678 -11.312 3.369 1.00 0.02 C ATOM 669 O GLY A 43 -9.973 -10.328 4.016 1.00 0.02 O ATOM 0 H GLY A 43 -9.588 -11.736 5.873 1.00 0.01 H new ATOM 0 HA2 GLY A 43 -9.068 -13.371 3.489 1.00 0.02 H new ATOM 0 HA3 GLY A 43 -10.774 -13.113 3.795 1.00 0.02 H new ATOM 673 N GLY A 44 -9.286 -11.220 2.131 1.00 0.00 N ATOM 674 CA GLY A 44 -9.187 -9.881 1.491 1.00 0.01 C ATOM 675 C GLY A 44 -7.843 -9.238 1.835 1.00 0.01 C ATOM 676 O GLY A 44 -7.097 -9.728 2.659 1.00 0.01 O ATOM 0 H GLY A 44 -9.031 -12.009 1.537 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -9.288 -9.977 0.410 1.00 0.01 H new ATOM 0 HA3 GLY A 44 -10.003 -9.244 1.832 1.00 0.01 H new ATOM 680 N THR A 45 -7.567 -8.111 1.236 1.00 0.01 N ATOM 681 CA THR A 45 -6.305 -7.366 1.540 1.00 0.00 C ATOM 682 C THR A 45 -6.692 -5.984 2.055 1.00 0.01 C ATOM 683 O THR A 45 -7.629 -5.387 1.574 1.00 0.01 O ATOM 684 CB THR A 45 -5.450 -7.215 0.276 1.00 0.73 C ATOM 685 OG1 THR A 45 -4.938 -8.485 -0.104 1.00 0.88 O ATOM 686 CG2 THR A 45 -4.283 -6.256 0.554 1.00 1.48 C ATOM 0 H THR A 45 -8.167 -7.668 0.541 1.00 0.01 H new ATOM 0 HA THR A 45 -5.724 -7.912 2.283 1.00 0.00 H new ATOM 0 HB THR A 45 -6.064 -6.813 -0.530 1.00 0.73 H new ATOM 0 HG1 THR A 45 -4.393 -8.389 -0.913 1.00 0.88 H new ATOM 0 HG21 THR A 45 -3.677 -6.150 -0.346 1.00 1.48 H new ATOM 0 HG22 THR A 45 -4.675 -5.281 0.844 1.00 1.48 H new ATOM 0 HG23 THR A 45 -3.668 -6.655 1.361 1.00 1.48 H new ATOM 694 N TRP A 46 -6.031 -5.496 3.077 1.00 0.02 N ATOM 695 CA TRP A 46 -6.423 -4.173 3.659 1.00 0.01 C ATOM 696 C TRP A 46 -5.236 -3.218 3.753 1.00 0.01 C ATOM 697 O TRP A 46 -4.093 -3.604 3.900 1.00 0.01 O ATOM 698 CB TRP A 46 -6.974 -4.404 5.068 1.00 0.00 C ATOM 699 CG TRP A 46 -8.184 -5.278 4.993 1.00 0.01 C ATOM 700 CD1 TRP A 46 -8.183 -6.579 4.623 1.00 0.01 C ATOM 701 CD2 TRP A 46 -9.568 -4.935 5.286 1.00 0.01 C ATOM 702 NE1 TRP A 46 -9.480 -7.057 4.673 1.00 0.00 N ATOM 703 CE2 TRP A 46 -10.369 -6.081 5.076 1.00 0.01 C ATOM 704 CE3 TRP A 46 -10.199 -3.752 5.712 1.00 0.01 C ATOM 705 CZ2 TRP A 46 -11.749 -6.055 5.280 1.00 0.01 C ATOM 706 CZ3 TRP A 46 -11.587 -3.723 5.917 1.00 0.02 C ATOM 707 CH2 TRP A 46 -12.359 -4.873 5.702 1.00 0.01 C ATOM 0 H TRP A 46 -5.241 -5.954 3.532 1.00 0.02 H new ATOM 0 HA TRP A 46 -7.171 -3.723 3.006 1.00 0.01 H new ATOM 0 HB2 TRP A 46 -6.214 -4.870 5.695 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -7.229 -3.451 5.531 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -7.313 -7.150 4.336 1.00 0.01 H new ATOM 0 HE1 TRP A 46 -9.747 -8.014 4.441 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -9.612 -2.861 5.882 1.00 0.01 H new ATOM 0 HZ2 TRP A 46 -12.341 -6.943 5.113 1.00 0.01 H new ATOM 0 HZ3 TRP A 46 -12.063 -2.810 6.242 1.00 0.02 H new ATOM 0 HH2 TRP A 46 -13.427 -4.844 5.863 1.00 0.01 H new ATOM 718 N ALA A 47 -5.545 -1.951 3.738 1.00 0.01 N ATOM 719 CA ALA A 47 -4.514 -0.893 3.901 1.00 0.01 C ATOM 720 C ALA A 47 -4.746 -0.343 5.301 1.00 0.01 C ATOM 721 O ALA A 47 -5.864 -0.055 5.674 1.00 0.01 O ATOM 722 CB ALA A 47 -4.709 0.203 2.851 1.00 0.24 C ATOM 0 H ALA A 47 -6.494 -1.598 3.616 1.00 0.01 H new ATOM 0 HA ALA A 47 -3.501 -1.274 3.772 1.00 0.01 H new ATOM 0 HB1 ALA A 47 -3.947 0.972 2.982 1.00 0.24 H new ATOM 0 HB2 ALA A 47 -4.622 -0.229 1.854 1.00 0.24 H new ATOM 0 HB3 ALA A 47 -5.697 0.648 2.968 1.00 0.24 H new ATOM 728 N VAL A 48 -3.701 -0.179 6.070 1.00 0.01 N ATOM 729 CA VAL A 48 -3.853 0.375 7.451 1.00 0.02 C ATOM 730 C VAL A 48 -3.115 1.705 7.536 1.00 0.01 C ATOM 731 O VAL A 48 -2.060 1.871 6.954 1.00 0.01 O ATOM 732 CB VAL A 48 -3.289 -0.608 8.475 1.00 0.09 C ATOM 733 CG1 VAL A 48 -4.047 -1.931 8.376 1.00 0.48 C ATOM 734 CG2 VAL A 48 -1.805 -0.847 8.188 1.00 0.65 C ATOM 0 H VAL A 48 -2.744 -0.406 5.801 1.00 0.01 H new ATOM 0 HA VAL A 48 -4.910 0.531 7.669 1.00 0.02 H new ATOM 0 HB VAL A 48 -3.403 -0.197 9.478 1.00 0.09 H new ATOM 0 HG11 VAL A 48 -3.647 -2.635 9.106 1.00 0.48 H new ATOM 0 HG12 VAL A 48 -5.104 -1.761 8.578 1.00 0.48 H new ATOM 0 HG13 VAL A 48 -3.931 -2.343 7.373 1.00 0.48 H new ATOM 0 HG21 VAL A 48 -1.402 -1.548 8.918 1.00 0.65 H new ATOM 0 HG22 VAL A 48 -1.690 -1.260 7.186 1.00 0.65 H new ATOM 0 HG23 VAL A 48 -1.265 0.097 8.255 1.00 0.65 H new ATOM 744 N TYR A 49 -3.670 2.657 8.245 1.00 0.01 N ATOM 745 CA TYR A 49 -3.023 3.998 8.365 1.00 0.01 C ATOM 746 C TYR A 49 -2.712 4.279 9.829 1.00 0.01 C ATOM 747 O TYR A 49 -3.460 3.930 10.728 1.00 0.02 O ATOM 748 CB TYR A 49 -3.977 5.061 7.823 1.00 0.01 C ATOM 749 CG TYR A 49 -4.361 4.711 6.402 1.00 0.00 C ATOM 750 CD1 TYR A 49 -5.235 3.645 6.150 1.00 0.01 C ATOM 751 CD2 TYR A 49 -3.846 5.457 5.335 1.00 0.01 C ATOM 752 CE1 TYR A 49 -5.591 3.326 4.835 1.00 0.01 C ATOM 753 CE2 TYR A 49 -4.202 5.138 4.020 1.00 0.01 C ATOM 754 CZ TYR A 49 -5.073 4.072 3.770 1.00 0.02 C ATOM 755 OH TYR A 49 -5.425 3.757 2.473 1.00 0.01 O ATOM 0 H TYR A 49 -4.551 2.560 8.750 1.00 0.01 H new ATOM 0 HA TYR A 49 -2.095 4.017 7.793 1.00 0.01 H new ATOM 0 HB2 TYR A 49 -4.868 5.120 8.449 1.00 0.01 H new ATOM 0 HB3 TYR A 49 -3.502 6.042 7.852 1.00 0.01 H new ATOM 0 HD1 TYR A 49 -5.634 3.069 6.972 1.00 0.01 H new ATOM 0 HD2 TYR A 49 -3.173 6.280 5.527 1.00 0.01 H new ATOM 0 HE1 TYR A 49 -6.265 2.505 4.642 1.00 0.01 H new ATOM 0 HE2 TYR A 49 -3.804 5.715 3.198 1.00 0.01 H new ATOM 0 HH TYR A 49 -4.979 4.373 1.854 1.00 0.01 H new ATOM 765 N GLU A 50 -1.579 4.887 10.058 1.00 0.01 N ATOM 766 CA GLU A 50 -1.120 5.181 11.443 1.00 0.01 C ATOM 767 C GLU A 50 -2.057 6.164 12.153 1.00 0.01 C ATOM 768 O GLU A 50 -2.226 6.087 13.354 1.00 0.02 O ATOM 769 CB GLU A 50 0.290 5.783 11.367 1.00 0.02 C ATOM 770 CG GLU A 50 1.015 5.589 12.704 1.00 0.01 C ATOM 771 CD GLU A 50 1.482 4.137 12.826 1.00 0.02 C ATOM 772 OE1 GLU A 50 1.088 3.336 11.995 1.00 0.02 O ATOM 773 OE2 GLU A 50 2.228 3.851 13.748 1.00 0.01 O ATOM 0 H GLU A 50 -0.940 5.198 9.326 1.00 0.01 H new ATOM 0 HA GLU A 50 -1.119 4.254 12.016 1.00 0.01 H new ATOM 0 HB2 GLU A 50 0.855 5.307 10.565 1.00 0.02 H new ATOM 0 HB3 GLU A 50 0.229 6.845 11.128 1.00 0.02 H new ATOM 0 HG2 GLU A 50 1.869 6.263 12.768 1.00 0.01 H new ATOM 0 HG3 GLU A 50 0.349 5.839 13.530 1.00 0.01 H new ATOM 780 N ARG A 51 -2.641 7.107 11.445 1.00 0.02 N ATOM 781 CA ARG A 51 -3.535 8.113 12.120 1.00 0.02 C ATOM 782 C ARG A 51 -4.929 8.099 11.456 1.00 0.01 C ATOM 783 O ARG A 51 -5.061 7.700 10.312 1.00 0.02 O ATOM 784 CB ARG A 51 -2.888 9.503 11.946 1.00 0.02 C ATOM 785 CG ARG A 51 -1.928 9.789 13.106 1.00 0.01 C ATOM 786 CD ARG A 51 -1.221 11.124 12.863 1.00 0.02 C ATOM 787 NE ARG A 51 -0.540 11.095 11.539 1.00 0.02 N ATOM 788 CZ ARG A 51 -0.139 12.208 10.989 1.00 0.02 C ATOM 789 NH1 ARG A 51 -0.337 13.345 11.599 1.00 0.02 N ATOM 790 NH2 ARG A 51 0.458 12.187 9.829 1.00 0.01 N ATOM 0 H ARG A 51 -2.540 7.225 10.437 1.00 0.02 H new ATOM 0 HA ARG A 51 -3.653 7.875 13.177 1.00 0.02 H new ATOM 0 HB2 ARG A 51 -2.349 9.545 10.999 1.00 0.02 H new ATOM 0 HB3 ARG A 51 -3.662 10.270 11.907 1.00 0.02 H new ATOM 0 HG2 ARG A 51 -2.477 9.822 14.047 1.00 0.01 H new ATOM 0 HG3 ARG A 51 -1.195 8.987 13.192 1.00 0.01 H new ATOM 0 HD2 ARG A 51 -1.943 11.940 12.894 1.00 0.02 H new ATOM 0 HD3 ARG A 51 -0.494 11.311 13.653 1.00 0.02 H new ATOM 0 HE ARG A 51 -0.387 10.206 11.063 1.00 0.02 H new ATOM 0 HH11 ARG A 51 -0.805 13.363 12.505 1.00 0.02 H new ATOM 0 HH12 ARG A 51 -0.024 14.216 11.170 1.00 0.02 H new ATOM 0 HH21 ARG A 51 0.612 11.299 9.351 1.00 0.01 H new ATOM 0 HH22 ARG A 51 0.771 13.058 9.401 1.00 0.01 H new ATOM 804 N PRO A 52 -5.961 8.535 12.171 1.00 0.02 N ATOM 805 CA PRO A 52 -7.348 8.553 11.615 1.00 0.02 C ATOM 806 C PRO A 52 -7.442 9.271 10.264 1.00 0.01 C ATOM 807 O PRO A 52 -6.565 10.007 9.860 1.00 0.02 O ATOM 808 CB PRO A 52 -8.149 9.295 12.711 1.00 0.02 C ATOM 809 CG PRO A 52 -7.176 9.712 13.831 1.00 0.01 C ATOM 810 CD PRO A 52 -5.823 9.030 13.575 1.00 0.01 C ATOM 0 HA PRO A 52 -7.722 7.551 11.402 1.00 0.02 H new ATOM 0 HB2 PRO A 52 -8.642 10.172 12.292 1.00 0.02 H new ATOM 0 HB3 PRO A 52 -8.932 8.650 13.110 1.00 0.02 H new ATOM 0 HG2 PRO A 52 -7.058 10.795 13.847 1.00 0.01 H new ATOM 0 HG3 PRO A 52 -7.570 9.420 14.804 1.00 0.01 H new ATOM 0 HD2 PRO A 52 -4.992 9.728 13.678 1.00 0.01 H new ATOM 0 HD3 PRO A 52 -5.642 8.215 14.275 1.00 0.01 H new ATOM 818 N ASN A 53 -8.549 9.071 9.594 1.00 0.02 N ATOM 819 CA ASN A 53 -8.792 9.744 8.288 1.00 0.02 C ATOM 820 C ASN A 53 -7.795 9.274 7.228 1.00 0.01 C ATOM 821 O ASN A 53 -7.356 10.030 6.384 1.00 0.01 O ATOM 822 CB ASN A 53 -8.679 11.261 8.484 1.00 0.01 C ATOM 823 CG ASN A 53 -9.279 11.645 9.837 1.00 0.02 C ATOM 824 OD1 ASN A 53 -8.999 12.706 10.360 1.00 0.02 O ATOM 825 ND2 ASN A 53 -10.099 10.822 10.431 1.00 0.01 N ATOM 0 H ASN A 53 -9.304 8.460 9.904 1.00 0.02 H new ATOM 0 HA ASN A 53 -9.791 9.486 7.938 1.00 0.02 H new ATOM 0 HB2 ASN A 53 -7.634 11.568 8.437 1.00 0.01 H new ATOM 0 HB3 ASN A 53 -9.201 11.782 7.681 1.00 0.01 H new ATOM 0 HD21 ASN A 53 -10.505 11.069 11.334 1.00 0.01 H new ATOM 0 HD22 ASN A 53 -10.334 9.932 9.993 1.00 0.01 H new ATOM 832 N PHE A 54 -7.462 8.013 7.259 1.00 0.02 N ATOM 833 CA PHE A 54 -6.522 7.449 6.254 1.00 0.01 C ATOM 834 C PHE A 54 -5.316 8.371 6.061 1.00 0.01 C ATOM 835 O PHE A 54 -4.962 8.729 4.955 1.00 0.02 O ATOM 836 CB PHE A 54 -7.265 7.262 4.926 1.00 1.78 C ATOM 837 CG PHE A 54 -8.679 6.798 5.203 1.00 2.32 C ATOM 838 CD1 PHE A 54 -8.897 5.569 5.837 1.00 2.53 C ATOM 839 CD2 PHE A 54 -9.770 7.594 4.825 1.00 2.77 C ATOM 840 CE1 PHE A 54 -10.202 5.136 6.095 1.00 3.03 C ATOM 841 CE2 PHE A 54 -11.076 7.159 5.083 1.00 3.32 C ATOM 842 CZ PHE A 54 -11.292 5.930 5.717 1.00 3.39 C ATOM 0 H PHE A 54 -7.806 7.343 7.947 1.00 0.02 H new ATOM 0 HA PHE A 54 -6.154 6.486 6.608 1.00 0.01 H new ATOM 0 HB2 PHE A 54 -7.280 8.199 4.370 1.00 1.78 H new ATOM 0 HB3 PHE A 54 -6.746 6.532 4.306 1.00 1.78 H new ATOM 0 HD1 PHE A 54 -8.057 4.955 6.127 1.00 2.53 H new ATOM 0 HD2 PHE A 54 -9.603 8.542 4.335 1.00 2.77 H new ATOM 0 HE1 PHE A 54 -10.369 4.189 6.586 1.00 3.03 H new ATOM 0 HE2 PHE A 54 -11.917 7.772 4.793 1.00 3.32 H new ATOM 0 HZ PHE A 54 -12.299 5.594 5.915 1.00 3.39 H new ATOM 852 N SER A 55 -4.691 8.752 7.148 1.00 0.02 N ATOM 853 CA SER A 55 -3.497 9.659 7.073 1.00 0.02 C ATOM 854 C SER A 55 -2.317 9.042 7.833 1.00 0.01 C ATOM 855 O SER A 55 -2.479 8.115 8.602 1.00 0.01 O ATOM 856 CB SER A 55 -3.857 11.005 7.702 1.00 1.90 C ATOM 857 OG SER A 55 -3.935 10.857 9.114 1.00 2.33 O ATOM 0 H SER A 55 -4.957 8.473 8.092 1.00 0.02 H new ATOM 0 HA SER A 55 -3.212 9.796 6.030 1.00 0.02 H new ATOM 0 HB2 SER A 55 -3.107 11.752 7.444 1.00 1.90 H new ATOM 0 HB3 SER A 55 -4.809 11.360 7.309 1.00 1.90 H new ATOM 0 HG SER A 55 -4.833 10.552 9.362 1.00 2.33 H new ATOM 863 N GLY A 56 -1.124 9.540 7.613 1.00 0.02 N ATOM 864 CA GLY A 56 0.075 8.979 8.305 1.00 0.02 C ATOM 865 C GLY A 56 0.674 7.838 7.474 1.00 0.02 C ATOM 866 O GLY A 56 0.423 7.725 6.291 1.00 0.00 O ATOM 0 H GLY A 56 -0.930 10.316 6.980 1.00 0.02 H new ATOM 0 HA2 GLY A 56 0.819 9.762 8.453 1.00 0.02 H new ATOM 0 HA3 GLY A 56 -0.203 8.613 9.293 1.00 0.02 H new ATOM 870 N HIS A 57 1.492 7.012 8.071 1.00 0.02 N ATOM 871 CA HIS A 57 2.134 5.906 7.298 1.00 0.02 C ATOM 872 C HIS A 57 1.077 4.947 6.751 1.00 0.01 C ATOM 873 O HIS A 57 0.084 4.677 7.398 1.00 0.01 O ATOM 874 CB HIS A 57 3.100 5.136 8.203 1.00 0.00 C ATOM 875 CG HIS A 57 4.013 4.297 7.349 1.00 0.01 C ATOM 876 ND1 HIS A 57 3.529 3.422 6.390 1.00 0.01 N ATOM 877 CD2 HIS A 57 5.381 4.206 7.285 1.00 0.01 C ATOM 878 CE1 HIS A 57 4.587 2.849 5.793 1.00 0.02 C ATOM 879 NE2 HIS A 57 5.742 3.291 6.300 1.00 0.01 N ATOM 0 H HIS A 57 1.744 7.054 9.059 1.00 0.02 H new ATOM 0 HA HIS A 57 2.681 6.341 6.461 1.00 0.02 H new ATOM 0 HB2 HIS A 57 3.684 5.831 8.807 1.00 0.00 H new ATOM 0 HB3 HIS A 57 2.544 4.502 8.894 1.00 0.00 H new ATOM 0 HD2 HIS A 57 6.072 4.759 7.904 1.00 0.01 H new ATOM 0 HE1 HIS A 57 4.513 2.120 5.000 1.00 0.02 H new ATOM 0 HE2 HIS A 57 6.685 3.017 6.024 1.00 0.01 H new ATOM 887 N MET A 58 1.294 4.433 5.557 1.00 0.02 N ATOM 888 CA MET A 58 0.318 3.482 4.931 1.00 0.02 C ATOM 889 C MET A 58 0.985 2.113 4.743 1.00 0.01 C ATOM 890 O MET A 58 2.101 2.015 4.272 1.00 0.01 O ATOM 891 CB MET A 58 -0.093 4.010 3.551 1.00 2.61 C ATOM 892 CG MET A 58 -0.596 5.454 3.655 1.00 3.46 C ATOM 893 SD MET A 58 -0.530 6.232 2.021 1.00 4.50 S ATOM 894 CE MET A 58 -1.469 4.969 1.129 1.00 5.01 C ATOM 0 H MET A 58 2.115 4.636 4.987 1.00 0.02 H new ATOM 0 HA MET A 58 -0.555 3.390 5.577 1.00 0.02 H new ATOM 0 HB2 MET A 58 0.757 3.963 2.870 1.00 2.61 H new ATOM 0 HB3 MET A 58 -0.874 3.376 3.131 1.00 2.61 H new ATOM 0 HG2 MET A 58 -1.617 5.469 4.036 1.00 3.46 H new ATOM 0 HG3 MET A 58 0.016 6.014 4.362 1.00 3.46 H new ATOM 0 HE1 MET A 58 -1.887 5.401 0.219 1.00 5.01 H new ATOM 0 HE2 MET A 58 -0.809 4.142 0.868 1.00 5.01 H new ATOM 0 HE3 MET A 58 -2.278 4.603 1.761 1.00 5.01 H new ATOM 904 N TYR A 59 0.300 1.054 5.095 1.00 0.02 N ATOM 905 CA TYR A 59 0.870 -0.326 4.931 1.00 0.01 C ATOM 906 C TYR A 59 -0.208 -1.252 4.346 1.00 0.01 C ATOM 907 O TYR A 59 -1.343 -1.256 4.777 1.00 0.02 O ATOM 908 CB TYR A 59 1.303 -0.878 6.295 1.00 0.01 C ATOM 909 CG TYR A 59 2.665 -0.347 6.683 1.00 0.01 C ATOM 910 CD1 TYR A 59 3.818 -0.876 6.086 1.00 0.01 C ATOM 911 CD2 TYR A 59 2.779 0.655 7.655 1.00 0.01 C ATOM 912 CE1 TYR A 59 5.081 -0.403 6.462 1.00 0.02 C ATOM 913 CE2 TYR A 59 4.042 1.129 8.028 1.00 0.01 C ATOM 914 CZ TYR A 59 5.194 0.599 7.433 1.00 0.01 C ATOM 915 OH TYR A 59 6.439 1.065 7.803 1.00 0.01 O ATOM 0 H TYR A 59 -0.639 1.083 5.493 1.00 0.02 H new ATOM 0 HA TYR A 59 1.731 -0.279 4.265 1.00 0.01 H new ATOM 0 HB2 TYR A 59 0.571 -0.601 7.053 1.00 0.01 H new ATOM 0 HB3 TYR A 59 1.329 -1.967 6.260 1.00 0.01 H new ATOM 0 HD1 TYR A 59 3.732 -1.648 5.336 1.00 0.01 H new ATOM 0 HD2 TYR A 59 1.892 1.062 8.117 1.00 0.01 H new ATOM 0 HE1 TYR A 59 5.969 -0.812 6.002 1.00 0.02 H new ATOM 0 HE2 TYR A 59 4.128 1.904 8.775 1.00 0.01 H new ATOM 0 HH TYR A 59 6.548 1.988 7.493 1.00 0.01 H new ATOM 925 N ILE A 60 0.157 -2.046 3.368 1.00 0.02 N ATOM 926 CA ILE A 60 -0.819 -2.994 2.745 1.00 0.01 C ATOM 927 C ILE A 60 -0.652 -4.379 3.384 1.00 0.01 C ATOM 928 O ILE A 60 0.452 -4.868 3.521 1.00 0.01 O ATOM 929 CB ILE A 60 -0.549 -3.089 1.238 1.00 0.45 C ATOM 930 CG1 ILE A 60 -0.277 -1.690 0.674 1.00 1.35 C ATOM 931 CG2 ILE A 60 -1.764 -3.702 0.533 1.00 1.21 C ATOM 932 CD1 ILE A 60 -1.407 -0.735 1.068 1.00 1.72 C ATOM 0 H ILE A 60 1.097 -2.078 2.972 1.00 0.02 H new ATOM 0 HA ILE A 60 -1.835 -2.635 2.907 1.00 0.01 H new ATOM 0 HB ILE A 60 0.322 -3.722 1.068 1.00 0.45 H new ATOM 0 HG12 ILE A 60 0.674 -1.316 1.052 1.00 1.35 H new ATOM 0 HG13 ILE A 60 -0.192 -1.737 -0.412 1.00 1.35 H new ATOM 0 HG21 ILE A 60 -1.569 -3.768 -0.537 1.00 1.21 H new ATOM 0 HG22 ILE A 60 -1.950 -4.700 0.930 1.00 1.21 H new ATOM 0 HG23 ILE A 60 -2.639 -3.075 0.704 1.00 1.21 H new ATOM 0 HD11 ILE A 60 -1.204 0.256 0.662 1.00 1.72 H new ATOM 0 HD12 ILE A 60 -2.351 -1.104 0.668 1.00 1.72 H new ATOM 0 HD13 ILE A 60 -1.471 -0.676 2.155 1.00 1.72 H new ATOM 944 N LEU A 61 -1.735 -5.007 3.788 1.00 0.01 N ATOM 945 CA LEU A 61 -1.633 -6.361 4.436 1.00 0.01 C ATOM 946 C LEU A 61 -2.476 -7.406 3.662 1.00 0.01 C ATOM 947 O LEU A 61 -3.691 -7.353 3.705 1.00 0.00 O ATOM 948 CB LEU A 61 -2.177 -6.267 5.876 1.00 0.01 C ATOM 949 CG LEU A 61 -1.107 -5.701 6.830 1.00 0.02 C ATOM 950 CD1 LEU A 61 -1.720 -5.542 8.227 1.00 0.01 C ATOM 951 CD2 LEU A 61 0.112 -6.652 6.902 1.00 0.01 C ATOM 0 H LEU A 61 -2.683 -4.643 3.698 1.00 0.01 H new ATOM 0 HA LEU A 61 -0.588 -6.671 4.432 1.00 0.01 H new ATOM 0 HB2 LEU A 61 -3.061 -5.629 5.895 1.00 0.01 H new ATOM 0 HB3 LEU A 61 -2.489 -7.254 6.217 1.00 0.01 H new ATOM 0 HG LEU A 61 -0.770 -4.734 6.457 1.00 0.02 H new ATOM 0 HD11 LEU A 61 -0.970 -5.142 8.910 1.00 0.01 H new ATOM 0 HD12 LEU A 61 -2.567 -4.858 8.177 1.00 0.01 H new ATOM 0 HD13 LEU A 61 -2.059 -6.513 8.588 1.00 0.01 H new ATOM 0 HD21 LEU A 61 0.858 -6.237 7.580 1.00 0.01 H new ATOM 0 HD22 LEU A 61 -0.209 -7.627 7.268 1.00 0.01 H new ATOM 0 HD23 LEU A 61 0.546 -6.762 5.908 1.00 0.01 H new ATOM 963 N PRO A 62 -1.871 -8.379 2.990 1.00 0.02 N ATOM 964 CA PRO A 62 -2.675 -9.421 2.290 1.00 0.01 C ATOM 965 C PRO A 62 -3.236 -10.431 3.307 1.00 0.00 C ATOM 966 O PRO A 62 -2.882 -10.407 4.468 1.00 0.02 O ATOM 967 CB PRO A 62 -1.639 -10.068 1.356 1.00 1.47 C ATOM 968 CG PRO A 62 -0.237 -9.676 1.856 1.00 1.29 C ATOM 969 CD PRO A 62 -0.387 -8.513 2.857 1.00 0.82 C ATOM 0 HA PRO A 62 -3.543 -9.035 1.755 1.00 0.01 H new ATOM 0 HB2 PRO A 62 -1.753 -11.152 1.353 1.00 1.47 H new ATOM 0 HB3 PRO A 62 -1.786 -9.729 0.331 1.00 1.47 H new ATOM 0 HG2 PRO A 62 0.248 -10.528 2.333 1.00 1.29 H new ATOM 0 HG3 PRO A 62 0.395 -9.378 1.019 1.00 1.29 H new ATOM 0 HD2 PRO A 62 0.086 -8.739 3.813 1.00 0.82 H new ATOM 0 HD3 PRO A 62 0.070 -7.597 2.484 1.00 0.82 H new ATOM 977 N GLN A 63 -4.106 -11.309 2.888 1.00 0.02 N ATOM 978 CA GLN A 63 -4.678 -12.302 3.844 1.00 0.00 C ATOM 979 C GLN A 63 -3.552 -13.023 4.591 1.00 0.00 C ATOM 980 O GLN A 63 -2.533 -13.353 4.016 1.00 0.02 O ATOM 981 CB GLN A 63 -5.507 -13.326 3.069 1.00 1.27 C ATOM 982 CG GLN A 63 -4.645 -13.963 1.976 1.00 1.67 C ATOM 983 CD GLN A 63 -5.505 -14.910 1.137 1.00 2.43 C ATOM 984 OE1 GLN A 63 -5.141 -15.263 0.033 1.00 4.25 O ATOM 985 NE2 GLN A 63 -6.640 -15.336 1.617 1.00 3.04 N ATOM 0 H GLN A 63 -4.445 -11.383 1.929 1.00 0.02 H new ATOM 0 HA GLN A 63 -5.308 -11.782 4.566 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -5.880 -14.094 3.746 1.00 1.27 H new ATOM 0 HB3 GLN A 63 -6.377 -12.843 2.625 1.00 1.27 H new ATOM 0 HG2 GLN A 63 -4.212 -13.189 1.342 1.00 1.67 H new ATOM 0 HG3 GLN A 63 -3.815 -14.509 2.424 1.00 1.67 H new ATOM 0 HE21 GLN A 63 -6.945 -15.039 2.544 1.00 3.04 H new ATOM 0 HE22 GLN A 63 -7.223 -15.966 1.066 1.00 3.04 H new ATOM 994 N GLY A 64 -3.716 -13.278 5.866 1.00 0.02 N ATOM 995 CA GLY A 64 -2.637 -13.984 6.618 1.00 0.01 C ATOM 996 C GLY A 64 -2.725 -13.666 8.114 1.00 0.02 C ATOM 997 O GLY A 64 -3.606 -12.963 8.568 1.00 0.02 O ATOM 0 H GLY A 64 -4.541 -13.030 6.412 1.00 0.02 H new ATOM 0 HA2 GLY A 64 -2.723 -15.060 6.464 1.00 0.01 H new ATOM 0 HA3 GLY A 64 -1.662 -13.684 6.234 1.00 0.01 H new ATOM 1001 N GLU A 65 -1.804 -14.186 8.886 1.00 0.02 N ATOM 1002 CA GLU A 65 -1.801 -13.936 10.365 1.00 0.02 C ATOM 1003 C GLU A 65 -0.502 -13.229 10.755 1.00 0.02 C ATOM 1004 O GLU A 65 0.582 -13.657 10.411 1.00 0.02 O ATOM 1005 CB GLU A 65 -1.888 -15.286 11.092 1.00 0.77 C ATOM 1006 CG GLU A 65 -1.711 -15.094 12.606 1.00 0.49 C ATOM 1007 CD GLU A 65 -2.699 -14.044 13.118 1.00 0.67 C ATOM 1008 OE1 GLU A 65 -2.424 -12.867 12.947 1.00 0.96 O ATOM 1009 OE2 GLU A 65 -3.713 -14.434 13.672 1.00 0.71 O ATOM 0 H GLU A 65 -1.045 -14.780 8.553 1.00 0.02 H new ATOM 0 HA GLU A 65 -2.649 -13.310 10.641 1.00 0.02 H new ATOM 0 HB2 GLU A 65 -2.851 -15.754 10.889 1.00 0.77 H new ATOM 0 HB3 GLU A 65 -1.120 -15.960 10.713 1.00 0.77 H new ATOM 0 HG2 GLU A 65 -1.873 -16.040 13.122 1.00 0.49 H new ATOM 0 HG3 GLU A 65 -0.690 -14.782 12.825 1.00 0.49 H new ATOM 1016 N TYR A 66 -0.615 -12.154 11.496 1.00 0.02 N ATOM 1017 CA TYR A 66 0.585 -11.393 11.956 1.00 0.02 C ATOM 1018 C TYR A 66 0.571 -11.378 13.498 1.00 0.02 C ATOM 1019 O TYR A 66 -0.135 -10.587 14.096 1.00 0.02 O ATOM 1020 CB TYR A 66 0.479 -9.963 11.423 1.00 0.01 C ATOM 1021 CG TYR A 66 0.371 -10.020 9.917 1.00 0.02 C ATOM 1022 CD1 TYR A 66 1.512 -10.265 9.146 1.00 0.01 C ATOM 1023 CD2 TYR A 66 -0.871 -9.845 9.293 1.00 0.02 C ATOM 1024 CE1 TYR A 66 1.415 -10.336 7.752 1.00 0.02 C ATOM 1025 CE2 TYR A 66 -0.968 -9.913 7.898 1.00 0.02 C ATOM 1026 CZ TYR A 66 0.176 -10.160 7.128 1.00 0.02 C ATOM 1027 OH TYR A 66 0.080 -10.230 5.753 1.00 0.01 O ATOM 0 H TYR A 66 -1.506 -11.766 11.806 1.00 0.02 H new ATOM 0 HA TYR A 66 1.508 -11.848 11.597 1.00 0.02 H new ATOM 0 HB2 TYR A 66 -0.393 -9.464 11.847 1.00 0.01 H new ATOM 0 HB3 TYR A 66 1.353 -9.383 11.718 1.00 0.01 H new ATOM 0 HD1 TYR A 66 2.469 -10.400 9.627 1.00 0.01 H new ATOM 0 HD2 TYR A 66 -1.753 -9.658 9.888 1.00 0.02 H new ATOM 0 HE1 TYR A 66 2.297 -10.527 7.158 1.00 0.02 H new ATOM 0 HE2 TYR A 66 -1.924 -9.775 7.416 1.00 0.02 H new ATOM 0 HH TYR A 66 -0.863 -10.296 5.494 1.00 0.01 H new ATOM 1037 N PRO A 67 1.307 -12.259 14.156 1.00 0.01 N ATOM 1038 CA PRO A 67 1.287 -12.302 15.646 1.00 0.02 C ATOM 1039 C PRO A 67 1.998 -11.113 16.314 1.00 0.02 C ATOM 1040 O PRO A 67 1.939 -10.967 17.514 1.00 0.02 O ATOM 1041 CB PRO A 67 2.005 -13.632 15.955 1.00 0.02 C ATOM 1042 CG PRO A 67 2.663 -14.142 14.658 1.00 0.02 C ATOM 1043 CD PRO A 67 2.187 -13.261 13.487 1.00 0.01 C ATOM 0 HA PRO A 67 0.273 -12.237 16.039 1.00 0.02 H new ATOM 0 HB2 PRO A 67 2.757 -13.486 16.730 1.00 0.02 H new ATOM 0 HB3 PRO A 67 1.295 -14.367 16.335 1.00 0.02 H new ATOM 0 HG2 PRO A 67 3.749 -14.103 14.744 1.00 0.02 H new ATOM 0 HG3 PRO A 67 2.394 -15.184 14.482 1.00 0.02 H new ATOM 0 HD2 PRO A 67 3.023 -12.785 12.974 1.00 0.01 H new ATOM 0 HD3 PRO A 67 1.644 -13.841 12.741 1.00 0.01 H new ATOM 1051 N GLU A 68 2.637 -10.248 15.571 1.00 0.01 N ATOM 1052 CA GLU A 68 3.309 -9.075 16.215 1.00 0.01 C ATOM 1053 C GLU A 68 3.387 -7.954 15.181 1.00 0.03 C ATOM 1054 O GLU A 68 3.357 -8.176 13.989 1.00 0.02 O ATOM 1055 CB GLU A 68 4.743 -9.431 16.645 1.00 0.69 C ATOM 1056 CG GLU A 68 4.762 -10.709 17.488 1.00 1.09 C ATOM 1057 CD GLU A 68 6.176 -10.938 18.028 1.00 1.35 C ATOM 1058 OE1 GLU A 68 6.881 -9.960 18.221 1.00 2.02 O ATOM 1059 OE2 GLU A 68 6.530 -12.085 18.241 1.00 1.55 O ATOM 0 H GLU A 68 2.724 -10.299 14.556 1.00 0.01 H new ATOM 0 HA GLU A 68 2.741 -8.776 17.096 1.00 0.01 H new ATOM 0 HB2 GLU A 68 5.369 -9.564 15.762 1.00 0.69 H new ATOM 0 HB3 GLU A 68 5.170 -8.607 17.217 1.00 0.69 H new ATOM 0 HG2 GLU A 68 4.055 -10.625 18.313 1.00 1.09 H new ATOM 0 HG3 GLU A 68 4.448 -11.561 16.885 1.00 1.09 H new ATOM 1066 N TYR A 69 3.441 -6.739 15.646 1.00 0.02 N ATOM 1067 CA TYR A 69 3.463 -5.583 14.713 1.00 0.02 C ATOM 1068 C TYR A 69 4.684 -5.624 13.788 1.00 0.01 C ATOM 1069 O TYR A 69 4.596 -5.296 12.622 1.00 0.01 O ATOM 1070 CB TYR A 69 3.391 -4.271 15.507 1.00 0.02 C ATOM 1071 CG TYR A 69 4.735 -3.927 16.122 1.00 0.02 C ATOM 1072 CD1 TYR A 69 5.352 -4.812 17.017 1.00 0.02 C ATOM 1073 CD2 TYR A 69 5.354 -2.704 15.816 1.00 0.02 C ATOM 1074 CE1 TYR A 69 6.579 -4.477 17.602 1.00 0.02 C ATOM 1075 CE2 TYR A 69 6.583 -2.373 16.399 1.00 0.02 C ATOM 1076 CZ TYR A 69 7.195 -3.257 17.294 1.00 0.02 C ATOM 1077 OH TYR A 69 8.403 -2.927 17.871 1.00 0.01 O ATOM 0 H TYR A 69 3.471 -6.497 16.636 1.00 0.02 H new ATOM 0 HA TYR A 69 2.587 -5.642 14.067 1.00 0.02 H new ATOM 0 HB2 TYR A 69 3.071 -3.462 14.850 1.00 0.02 H new ATOM 0 HB3 TYR A 69 2.641 -4.359 16.293 1.00 0.02 H new ATOM 0 HD1 TYR A 69 4.880 -5.754 17.256 1.00 0.02 H new ATOM 0 HD2 TYR A 69 4.881 -2.017 15.130 1.00 0.02 H new ATOM 0 HE1 TYR A 69 7.052 -5.160 18.292 1.00 0.02 H new ATOM 0 HE2 TYR A 69 7.059 -1.434 16.158 1.00 0.02 H new ATOM 0 HH TYR A 69 8.690 -2.048 17.548 1.00 0.01 H new ATOM 1087 N GLN A 70 5.822 -6.032 14.289 1.00 0.01 N ATOM 1088 CA GLN A 70 7.038 -6.105 13.426 1.00 0.02 C ATOM 1089 C GLN A 70 6.789 -7.065 12.251 1.00 0.01 C ATOM 1090 O GLN A 70 7.409 -6.968 11.212 1.00 0.02 O ATOM 1091 CB GLN A 70 8.223 -6.619 14.263 1.00 0.01 C ATOM 1092 CG GLN A 70 8.870 -5.455 15.018 1.00 0.01 C ATOM 1093 CD GLN A 70 9.675 -4.596 14.040 1.00 0.02 C ATOM 1094 OE1 GLN A 70 9.156 -3.658 13.468 1.00 0.01 O ATOM 1095 NE2 GLN A 70 10.930 -4.879 13.823 1.00 0.02 N ATOM 0 H GLN A 70 5.961 -6.318 15.258 1.00 0.01 H new ATOM 0 HA GLN A 70 7.263 -5.113 13.036 1.00 0.02 H new ATOM 0 HB2 GLN A 70 7.880 -7.376 14.968 1.00 0.01 H new ATOM 0 HB3 GLN A 70 8.958 -7.097 13.615 1.00 0.01 H new ATOM 0 HG2 GLN A 70 8.103 -4.851 15.503 1.00 0.01 H new ATOM 0 HG3 GLN A 70 9.521 -5.835 15.805 1.00 0.01 H new ATOM 0 HE21 GLN A 70 11.366 -5.666 14.303 1.00 0.02 H new ATOM 0 HE22 GLN A 70 11.475 -4.313 13.173 1.00 0.02 H new ATOM 1104 N ARG A 71 5.870 -7.983 12.415 1.00 0.01 N ATOM 1105 CA ARG A 71 5.567 -8.937 11.313 1.00 0.02 C ATOM 1106 C ARG A 71 4.851 -8.175 10.197 1.00 0.01 C ATOM 1107 O ARG A 71 4.778 -8.607 9.064 1.00 0.02 O ATOM 1108 CB ARG A 71 4.673 -10.072 11.828 1.00 0.34 C ATOM 1109 CG ARG A 71 4.737 -11.267 10.858 1.00 0.72 C ATOM 1110 CD ARG A 71 6.018 -12.100 11.103 1.00 1.04 C ATOM 1111 NE ARG A 71 6.691 -12.402 9.798 1.00 1.67 N ATOM 1112 CZ ARG A 71 6.015 -12.844 8.767 1.00 2.47 C ATOM 1113 NH1 ARG A 71 4.745 -13.122 8.875 1.00 2.54 N ATOM 1114 NH2 ARG A 71 6.624 -13.032 7.630 1.00 3.42 N ATOM 0 H ARG A 71 5.319 -8.110 13.264 1.00 0.01 H new ATOM 0 HA ARG A 71 6.492 -9.373 10.935 1.00 0.02 H new ATOM 0 HB2 ARG A 71 4.998 -10.381 12.822 1.00 0.34 H new ATOM 0 HB3 ARG A 71 3.645 -9.723 11.923 1.00 0.34 H new ATOM 0 HG2 ARG A 71 3.857 -11.896 10.989 1.00 0.72 H new ATOM 0 HG3 ARG A 71 4.721 -10.908 9.829 1.00 0.72 H new ATOM 0 HD2 ARG A 71 6.699 -11.552 11.754 1.00 1.04 H new ATOM 0 HD3 ARG A 71 5.765 -13.029 11.615 1.00 1.04 H new ATOM 0 HE ARG A 71 7.697 -12.260 9.711 1.00 1.67 H new ATOM 0 HH11 ARG A 71 4.269 -12.996 9.768 1.00 2.54 H new ATOM 0 HH12 ARG A 71 4.228 -13.466 8.066 1.00 2.54 H new ATOM 0 HH21 ARG A 71 7.621 -12.835 7.547 1.00 3.42 H new ATOM 0 HH22 ARG A 71 6.103 -13.376 6.823 1.00 3.42 H new ATOM 1128 N TRP A 72 4.322 -7.034 10.540 1.00 0.02 N ATOM 1129 CA TRP A 72 3.589 -6.181 9.562 1.00 0.01 C ATOM 1130 C TRP A 72 4.494 -4.987 9.232 1.00 0.01 C ATOM 1131 O TRP A 72 4.095 -4.033 8.599 1.00 0.02 O ATOM 1132 CB TRP A 72 2.269 -5.755 10.249 1.00 0.02 C ATOM 1133 CG TRP A 72 1.822 -4.380 9.854 1.00 0.01 C ATOM 1134 CD1 TRP A 72 1.505 -3.986 8.601 1.00 0.01 C ATOM 1135 CD2 TRP A 72 1.608 -3.222 10.714 1.00 0.02 C ATOM 1136 NE1 TRP A 72 1.120 -2.659 8.638 1.00 0.02 N ATOM 1137 CE2 TRP A 72 1.169 -2.145 9.915 1.00 0.02 C ATOM 1138 CE3 TRP A 72 1.755 -3.005 12.096 1.00 0.01 C ATOM 1139 CZ2 TRP A 72 0.886 -0.894 10.462 1.00 0.02 C ATOM 1140 CZ3 TRP A 72 1.469 -1.747 12.652 1.00 0.02 C ATOM 1141 CH2 TRP A 72 1.035 -0.694 11.836 1.00 0.02 C ATOM 0 H TRP A 72 4.368 -6.647 11.483 1.00 0.02 H new ATOM 0 HA TRP A 72 3.347 -6.689 8.628 1.00 0.01 H new ATOM 0 HB2 TRP A 72 1.487 -6.472 9.998 1.00 0.02 H new ATOM 0 HB3 TRP A 72 2.400 -5.792 11.330 1.00 0.02 H new ATOM 0 HD1 TRP A 72 1.546 -4.605 7.717 1.00 0.01 H new ATOM 0 HE1 TRP A 72 0.834 -2.124 7.818 1.00 0.02 H new ATOM 0 HE3 TRP A 72 2.090 -3.810 12.733 1.00 0.01 H new ATOM 0 HZ2 TRP A 72 0.554 -0.086 9.828 1.00 0.02 H new ATOM 0 HZ3 TRP A 72 1.584 -1.591 13.714 1.00 0.02 H new ATOM 0 HH2 TRP A 72 0.816 0.271 12.269 1.00 0.02 H new ATOM 1152 N MET A 73 5.721 -5.056 9.677 1.00 0.02 N ATOM 1153 CA MET A 73 6.700 -3.958 9.425 1.00 0.02 C ATOM 1154 C MET A 73 6.182 -2.640 10.008 1.00 0.01 C ATOM 1155 O MET A 73 6.582 -1.565 9.605 1.00 0.02 O ATOM 1156 CB MET A 73 6.942 -3.801 7.917 1.00 0.02 C ATOM 1157 CG MET A 73 7.424 -5.131 7.325 1.00 0.01 C ATOM 1158 SD MET A 73 6.000 -6.202 7.003 1.00 0.01 S ATOM 1159 CE MET A 73 5.718 -5.701 5.287 1.00 0.01 C ATOM 0 H MET A 73 6.092 -5.840 10.213 1.00 0.02 H new ATOM 0 HA MET A 73 7.641 -4.214 9.912 1.00 0.02 H new ATOM 0 HB2 MET A 73 6.023 -3.485 7.423 1.00 0.02 H new ATOM 0 HB3 MET A 73 7.684 -3.023 7.738 1.00 0.02 H new ATOM 0 HG2 MET A 73 7.974 -4.952 6.401 1.00 0.01 H new ATOM 0 HG3 MET A 73 8.111 -5.620 8.015 1.00 0.01 H new ATOM 0 HE1 MET A 73 4.867 -6.250 4.883 1.00 0.01 H new ATOM 0 HE2 MET A 73 5.511 -4.631 5.250 1.00 0.01 H new ATOM 0 HE3 MET A 73 6.606 -5.920 4.694 1.00 0.01 H new ATOM 1169 N GLY A 74 5.292 -2.724 10.960 1.00 0.02 N ATOM 1170 CA GLY A 74 4.745 -1.487 11.577 1.00 0.02 C ATOM 1171 C GLY A 74 5.888 -0.681 12.187 1.00 0.01 C ATOM 1172 O GLY A 74 6.809 -1.232 12.760 1.00 0.01 O ATOM 0 H GLY A 74 4.922 -3.597 11.335 1.00 0.02 H new ATOM 0 HA2 GLY A 74 4.225 -0.892 10.827 1.00 0.02 H new ATOM 0 HA3 GLY A 74 4.014 -1.742 12.344 1.00 0.02 H new ATOM 1176 N LEU A 75 5.821 0.620 12.116 1.00 0.02 N ATOM 1177 CA LEU A 75 6.891 1.444 12.746 1.00 0.02 C ATOM 1178 C LEU A 75 6.618 1.464 14.255 1.00 0.01 C ATOM 1179 O LEU A 75 7.522 1.540 15.064 1.00 0.02 O ATOM 1180 CB LEU A 75 6.863 2.868 12.173 1.00 0.55 C ATOM 1181 CG LEU A 75 8.067 3.678 12.698 1.00 0.58 C ATOM 1182 CD1 LEU A 75 9.320 3.371 11.869 1.00 0.98 C ATOM 1183 CD2 LEU A 75 7.761 5.177 12.597 1.00 0.42 C ATOM 0 H LEU A 75 5.079 1.145 11.653 1.00 0.02 H new ATOM 0 HA LEU A 75 7.877 1.026 12.543 1.00 0.02 H new ATOM 0 HB2 LEU A 75 6.888 2.830 11.084 1.00 0.55 H new ATOM 0 HB3 LEU A 75 5.933 3.362 12.453 1.00 0.55 H new ATOM 0 HG LEU A 75 8.246 3.401 13.737 1.00 0.58 H new ATOM 0 HD11 LEU A 75 10.160 3.950 12.252 1.00 0.98 H new ATOM 0 HD12 LEU A 75 9.550 2.308 11.938 1.00 0.98 H new ATOM 0 HD13 LEU A 75 9.141 3.637 10.827 1.00 0.98 H new ATOM 0 HD21 LEU A 75 8.612 5.748 12.968 1.00 0.42 H new ATOM 0 HD22 LEU A 75 7.573 5.441 11.556 1.00 0.42 H new ATOM 0 HD23 LEU A 75 6.880 5.410 13.195 1.00 0.42 H new ATOM 1195 N ASN A 76 5.369 1.359 14.629 1.00 0.01 N ATOM 1196 CA ASN A 76 4.973 1.328 16.060 1.00 0.02 C ATOM 1197 C ASN A 76 3.615 0.623 16.110 1.00 0.02 C ATOM 1198 O ASN A 76 3.169 0.080 15.120 1.00 0.02 O ATOM 1199 CB ASN A 76 4.855 2.753 16.603 1.00 0.02 C ATOM 1200 CG ASN A 76 4.172 3.638 15.559 1.00 0.02 C ATOM 1201 OD1 ASN A 76 4.547 3.633 14.403 1.00 0.01 O ATOM 1202 ND2 ASN A 76 3.177 4.401 15.918 1.00 0.02 N ATOM 0 H ASN A 76 4.587 1.292 13.978 1.00 0.01 H new ATOM 0 HA ASN A 76 5.711 0.807 16.670 1.00 0.02 H new ATOM 0 HB2 ASN A 76 4.281 2.755 17.529 1.00 0.02 H new ATOM 0 HB3 ASN A 76 5.843 3.147 16.840 1.00 0.02 H new ATOM 0 HD21 ASN A 76 2.714 4.993 15.229 1.00 0.02 H new ATOM 0 HD22 ASN A 76 2.862 4.405 16.888 1.00 0.02 H new ATOM 1209 N ASP A 77 2.949 0.609 17.236 1.00 0.01 N ATOM 1210 CA ASP A 77 1.623 -0.087 17.306 1.00 0.01 C ATOM 1211 C ASP A 77 0.482 0.924 17.164 1.00 0.01 C ATOM 1212 O ASP A 77 -0.598 0.724 17.688 1.00 0.01 O ATOM 1213 CB ASP A 77 1.499 -0.792 18.658 1.00 0.01 C ATOM 1214 CG ASP A 77 2.562 -1.887 18.758 1.00 0.01 C ATOM 1215 OD1 ASP A 77 2.807 -2.541 17.759 1.00 0.02 O ATOM 1216 OD2 ASP A 77 3.115 -2.050 19.833 1.00 0.01 O ATOM 0 H ASP A 77 3.260 1.044 18.104 1.00 0.01 H new ATOM 0 HA ASP A 77 1.560 -0.811 16.494 1.00 0.01 H new ATOM 0 HB2 ASP A 77 1.624 -0.074 19.468 1.00 0.01 H new ATOM 0 HB3 ASP A 77 0.504 -1.224 18.765 1.00 0.01 H new ATOM 1221 N ARG A 78 0.701 2.017 16.472 1.00 0.01 N ATOM 1222 CA ARG A 78 -0.384 3.040 16.321 1.00 0.01 C ATOM 1223 C ARG A 78 -1.131 2.846 14.998 1.00 0.02 C ATOM 1224 O ARG A 78 -0.552 2.897 13.931 1.00 0.02 O ATOM 1225 CB ARG A 78 0.225 4.443 16.372 1.00 0.43 C ATOM 1226 CG ARG A 78 -0.902 5.483 16.451 1.00 0.80 C ATOM 1227 CD ARG A 78 -0.322 6.901 16.653 1.00 1.00 C ATOM 1228 NE ARG A 78 -1.111 7.626 17.701 1.00 1.30 N ATOM 1229 CZ ARG A 78 -2.419 7.637 17.682 1.00 2.30 C ATOM 1230 NH1 ARG A 78 -3.072 7.115 16.679 1.00 2.72 N ATOM 1231 NH2 ARG A 78 -3.077 8.204 18.657 1.00 3.20 N ATOM 0 H ARG A 78 1.580 2.245 16.007 1.00 0.01 H new ATOM 0 HA ARG A 78 -1.095 2.919 17.139 1.00 0.01 H new ATOM 0 HB2 ARG A 78 0.882 4.535 17.237 1.00 0.43 H new ATOM 0 HB3 ARG A 78 0.836 4.619 15.487 1.00 0.43 H new ATOM 0 HG2 ARG A 78 -1.495 5.454 15.537 1.00 0.80 H new ATOM 0 HG3 ARG A 78 -1.573 5.238 17.275 1.00 0.80 H new ATOM 0 HD2 ARG A 78 0.724 6.837 16.951 1.00 1.00 H new ATOM 0 HD3 ARG A 78 -0.352 7.454 15.714 1.00 1.00 H new ATOM 0 HE ARG A 78 -0.618 8.121 18.444 1.00 1.30 H new ATOM 0 HH11 ARG A 78 -2.562 6.694 15.902 1.00 2.72 H new ATOM 0 HH12 ARG A 78 -4.092 7.128 16.672 1.00 2.72 H new ATOM 0 HH21 ARG A 78 -2.571 8.636 19.430 1.00 3.20 H new ATOM 0 HH22 ARG A 78 -4.097 8.215 18.646 1.00 3.20 H new ATOM 1245 N LEU A 79 -2.422 2.650 15.062 1.00 0.01 N ATOM 1246 CA LEU A 79 -3.237 2.481 13.820 1.00 0.01 C ATOM 1247 C LEU A 79 -4.598 3.140 14.058 1.00 0.01 C ATOM 1248 O LEU A 79 -5.302 2.799 14.988 1.00 0.02 O ATOM 1249 CB LEU A 79 -3.420 0.988 13.522 1.00 1.04 C ATOM 1250 CG LEU A 79 -2.162 0.430 12.838 1.00 1.85 C ATOM 1251 CD1 LEU A 79 -2.309 -1.088 12.692 1.00 2.40 C ATOM 1252 CD2 LEU A 79 -1.962 1.077 11.446 1.00 2.61 C ATOM 0 H LEU A 79 -2.953 2.599 15.931 1.00 0.01 H new ATOM 0 HA LEU A 79 -2.739 2.944 12.968 1.00 0.01 H new ATOM 0 HB2 LEU A 79 -3.612 0.445 14.447 1.00 1.04 H new ATOM 0 HB3 LEU A 79 -4.289 0.841 12.880 1.00 1.04 H new ATOM 0 HG LEU A 79 -1.290 0.663 13.448 1.00 1.85 H new ATOM 0 HD11 LEU A 79 -1.421 -1.495 12.207 1.00 2.40 H new ATOM 0 HD12 LEU A 79 -2.423 -1.539 13.678 1.00 2.40 H new ATOM 0 HD13 LEU A 79 -3.187 -1.312 12.087 1.00 2.40 H new ATOM 0 HD21 LEU A 79 -1.066 0.667 10.980 1.00 2.61 H new ATOM 0 HD22 LEU A 79 -2.827 0.864 10.818 1.00 2.61 H new ATOM 0 HD23 LEU A 79 -1.852 2.156 11.559 1.00 2.61 H new ATOM 1264 N GLY A 80 -4.954 4.117 13.255 1.00 0.02 N ATOM 1265 CA GLY A 80 -6.249 4.847 13.462 1.00 0.02 C ATOM 1266 C GLY A 80 -7.287 4.534 12.376 1.00 0.02 C ATOM 1267 O GLY A 80 -8.463 4.795 12.561 1.00 0.01 O ATOM 0 H GLY A 80 -4.401 4.442 12.462 1.00 0.02 H new ATOM 0 HA2 GLY A 80 -6.658 4.582 14.437 1.00 0.02 H new ATOM 0 HA3 GLY A 80 -6.058 5.920 13.477 1.00 0.02 H new ATOM 1271 N SER A 81 -6.907 3.982 11.247 1.00 0.01 N ATOM 1272 CA SER A 81 -7.948 3.697 10.203 1.00 0.01 C ATOM 1273 C SER A 81 -7.515 2.559 9.290 1.00 0.02 C ATOM 1274 O SER A 81 -6.345 2.277 9.120 1.00 0.01 O ATOM 1275 CB SER A 81 -8.170 4.946 9.356 1.00 0.01 C ATOM 1276 OG SER A 81 -8.684 5.976 10.175 1.00 0.01 O ATOM 0 H SER A 81 -5.951 3.722 11.006 1.00 0.01 H new ATOM 0 HA SER A 81 -8.868 3.409 10.711 1.00 0.01 H new ATOM 0 HB2 SER A 81 -7.232 5.262 8.899 1.00 0.01 H new ATOM 0 HB3 SER A 81 -8.864 4.731 8.543 1.00 0.01 H new ATOM 0 HG SER A 81 -9.369 6.475 9.682 1.00 0.01 H new ATOM 1282 N CYS A 82 -8.477 1.903 8.689 1.00 0.02 N ATOM 1283 CA CYS A 82 -8.157 0.774 7.767 1.00 0.01 C ATOM 1284 C CYS A 82 -9.152 0.754 6.601 1.00 0.01 C ATOM 1285 O CYS A 82 -10.309 1.094 6.749 1.00 0.01 O ATOM 1286 CB CYS A 82 -8.233 -0.552 8.527 1.00 0.01 C ATOM 1287 SG CYS A 82 -9.962 -0.929 8.905 1.00 0.02 S ATOM 0 H CYS A 82 -9.471 2.103 8.799 1.00 0.02 H new ATOM 0 HA CYS A 82 -7.149 0.910 7.376 1.00 0.01 H new ATOM 0 HB2 CYS A 82 -7.797 -1.352 7.929 1.00 0.01 H new ATOM 0 HB3 CYS A 82 -7.653 -0.490 9.448 1.00 0.01 H new ATOM 0 HG CYS A 82 -10.738 -0.172 8.187 1.00 0.02 H new ATOM 1293 N ARG A 83 -8.702 0.350 5.441 1.00 0.01 N ATOM 1294 CA ARG A 83 -9.605 0.294 4.246 1.00 0.01 C ATOM 1295 C ARG A 83 -9.366 -1.019 3.504 1.00 0.01 C ATOM 1296 O ARG A 83 -8.248 -1.472 3.363 1.00 0.01 O ATOM 1297 CB ARG A 83 -9.261 1.443 3.293 1.00 0.01 C ATOM 1298 CG ARG A 83 -9.643 2.784 3.932 1.00 0.01 C ATOM 1299 CD ARG A 83 -8.902 3.919 3.217 1.00 0.01 C ATOM 1300 NE ARG A 83 -8.779 3.591 1.768 1.00 0.01 N ATOM 1301 CZ ARG A 83 -8.438 4.516 0.915 1.00 0.01 C ATOM 1302 NH1 ARG A 83 -8.200 5.731 1.331 1.00 0.01 N ATOM 1303 NH2 ARG A 83 -8.334 4.228 -0.354 1.00 0.01 N ATOM 0 H ARG A 83 -7.742 0.054 5.267 1.00 0.01 H new ATOM 0 HA ARG A 83 -10.642 0.370 4.574 1.00 0.01 H new ATOM 0 HB2 ARG A 83 -8.195 1.430 3.064 1.00 0.01 H new ATOM 0 HB3 ARG A 83 -9.792 1.316 2.349 1.00 0.01 H new ATOM 0 HG2 ARG A 83 -10.720 2.938 3.863 1.00 0.01 H new ATOM 0 HG3 ARG A 83 -9.388 2.780 4.992 1.00 0.01 H new ATOM 0 HD2 ARG A 83 -9.441 4.858 3.345 1.00 0.01 H new ATOM 0 HD3 ARG A 83 -7.914 4.057 3.656 1.00 0.01 H new ATOM 0 HE ARG A 83 -8.962 2.641 1.443 1.00 0.01 H new ATOM 0 HH11 ARG A 83 -8.281 5.956 2.323 1.00 0.01 H new ATOM 0 HH12 ARG A 83 -7.933 6.455 0.664 1.00 0.01 H new ATOM 0 HH21 ARG A 83 -8.520 3.279 -0.678 1.00 0.01 H new ATOM 0 HH22 ARG A 83 -8.067 4.952 -1.021 1.00 0.01 H new ATOM 1317 N ALA A 84 -10.413 -1.636 3.024 1.00 0.01 N ATOM 1318 CA ALA A 84 -10.250 -2.919 2.291 1.00 0.01 C ATOM 1319 C ALA A 84 -9.786 -2.630 0.866 1.00 0.01 C ATOM 1320 O ALA A 84 -10.338 -1.797 0.173 1.00 0.00 O ATOM 1321 CB ALA A 84 -11.589 -3.656 2.233 1.00 0.43 C ATOM 0 H ALA A 84 -11.374 -1.304 3.109 1.00 0.01 H new ATOM 0 HA ALA A 84 -9.514 -3.535 2.808 1.00 0.01 H new ATOM 0 HB1 ALA A 84 -11.464 -4.596 1.695 1.00 0.43 H new ATOM 0 HB2 ALA A 84 -11.936 -3.861 3.246 1.00 0.43 H new ATOM 0 HB3 ALA A 84 -12.323 -3.037 1.717 1.00 0.43 H new ATOM 1327 N VAL A 85 -8.788 -3.337 0.420 1.00 0.01 N ATOM 1328 CA VAL A 85 -8.285 -3.151 -0.965 1.00 0.01 C ATOM 1329 C VAL A 85 -9.050 -4.097 -1.888 1.00 0.01 C ATOM 1330 O VAL A 85 -9.056 -5.295 -1.689 1.00 0.01 O ATOM 1331 CB VAL A 85 -6.792 -3.477 -1.014 1.00 0.98 C ATOM 1332 CG1 VAL A 85 -6.268 -3.263 -2.435 1.00 1.25 C ATOM 1333 CG2 VAL A 85 -6.042 -2.557 -0.050 1.00 1.12 C ATOM 0 H VAL A 85 -8.294 -4.044 0.964 1.00 0.01 H new ATOM 0 HA VAL A 85 -8.432 -2.119 -1.284 1.00 0.01 H new ATOM 0 HB VAL A 85 -6.636 -4.516 -0.724 1.00 0.98 H new ATOM 0 HG11 VAL A 85 -5.204 -3.496 -2.469 1.00 1.25 H new ATOM 0 HG12 VAL A 85 -6.805 -3.917 -3.123 1.00 1.25 H new ATOM 0 HG13 VAL A 85 -6.422 -2.224 -2.727 1.00 1.25 H new ATOM 0 HG21 VAL A 85 -4.977 -2.787 -0.082 1.00 1.12 H new ATOM 0 HG22 VAL A 85 -6.198 -1.519 -0.342 1.00 1.12 H new ATOM 0 HG23 VAL A 85 -6.415 -2.709 0.963 1.00 1.12 H new ATOM 1343 N HIS A 86 -9.687 -3.582 -2.902 1.00 0.01 N ATOM 1344 CA HIS A 86 -10.436 -4.470 -3.835 1.00 0.01 C ATOM 1345 C HIS A 86 -9.479 -4.899 -4.940 1.00 0.01 C ATOM 1346 O HIS A 86 -8.737 -4.104 -5.483 1.00 0.00 O ATOM 1347 CB HIS A 86 -11.612 -3.697 -4.442 1.00 0.21 C ATOM 1348 CG HIS A 86 -12.301 -2.908 -3.363 1.00 0.71 C ATOM 1349 ND1 HIS A 86 -11.780 -1.723 -2.870 1.00 1.26 N ATOM 1350 CD2 HIS A 86 -13.471 -3.118 -2.675 1.00 1.20 C ATOM 1351 CE1 HIS A 86 -12.624 -1.268 -1.927 1.00 1.77 C ATOM 1352 NE2 HIS A 86 -13.673 -2.081 -1.768 1.00 1.71 N ATOM 0 H HIS A 86 -9.722 -2.587 -3.125 1.00 0.01 H new ATOM 0 HA HIS A 86 -10.823 -5.342 -3.308 1.00 0.01 H new ATOM 0 HB2 HIS A 86 -11.256 -3.028 -5.226 1.00 0.21 H new ATOM 0 HB3 HIS A 86 -12.315 -4.388 -4.907 1.00 0.21 H new ATOM 0 HD2 HIS A 86 -14.133 -3.959 -2.816 1.00 1.20 H new ATOM 0 HE1 HIS A 86 -12.473 -0.357 -1.367 1.00 1.77 H new ATOM 0 HE2 HIS A 86 -14.453 -1.966 -1.121 1.00 1.71 H new ATOM 1360 N LEU A 87 -9.487 -6.164 -5.265 1.00 0.01 N ATOM 1361 CA LEU A 87 -8.578 -6.684 -6.326 1.00 0.01 C ATOM 1362 C LEU A 87 -9.362 -6.887 -7.618 1.00 0.01 C ATOM 1363 O LEU A 87 -10.471 -7.383 -7.610 1.00 0.01 O ATOM 1364 CB LEU A 87 -8.011 -8.040 -5.874 1.00 0.67 C ATOM 1365 CG LEU A 87 -7.473 -7.950 -4.412 1.00 1.25 C ATOM 1366 CD1 LEU A 87 -8.300 -8.842 -3.477 1.00 1.63 C ATOM 1367 CD2 LEU A 87 -6.015 -8.423 -4.359 1.00 1.34 C ATOM 0 H LEU A 87 -10.091 -6.866 -4.836 1.00 0.01 H new ATOM 0 HA LEU A 87 -7.771 -5.972 -6.495 1.00 0.01 H new ATOM 0 HB2 LEU A 87 -8.787 -8.803 -5.936 1.00 0.67 H new ATOM 0 HB3 LEU A 87 -7.208 -8.346 -6.545 1.00 0.67 H new ATOM 0 HG LEU A 87 -7.546 -6.911 -4.091 1.00 1.25 H new ATOM 0 HD11 LEU A 87 -7.910 -8.766 -2.462 1.00 1.63 H new ATOM 0 HD12 LEU A 87 -9.341 -8.518 -3.491 1.00 1.63 H new ATOM 0 HD13 LEU A 87 -8.238 -9.877 -3.813 1.00 1.63 H new ATOM 0 HD21 LEU A 87 -5.648 -8.357 -3.335 1.00 1.34 H new ATOM 0 HD22 LEU A 87 -5.955 -9.457 -4.700 1.00 1.34 H new ATOM 0 HD23 LEU A 87 -5.404 -7.792 -5.005 1.00 1.34 H new ATOM 1379 N SER A 88 -8.772 -6.544 -8.734 1.00 0.01 N ATOM 1380 CA SER A 88 -9.436 -6.749 -10.054 1.00 0.01 C ATOM 1381 C SER A 88 -8.664 -7.836 -10.800 1.00 0.01 C ATOM 1382 O SER A 88 -7.484 -7.680 -11.043 1.00 0.01 O ATOM 1383 CB SER A 88 -9.405 -5.443 -10.849 1.00 0.81 C ATOM 1384 OG SER A 88 -9.780 -4.365 -10.000 1.00 1.08 O ATOM 0 H SER A 88 -7.844 -6.124 -8.786 1.00 0.01 H new ATOM 0 HA SER A 88 -10.476 -7.049 -9.922 1.00 0.01 H new ATOM 0 HB2 SER A 88 -8.407 -5.273 -11.252 1.00 0.81 H new ATOM 0 HB3 SER A 88 -10.085 -5.505 -11.699 1.00 0.81 H new ATOM 0 HG SER A 88 -9.759 -3.527 -10.507 1.00 1.08 H new ATOM 1390 N SER A 89 -9.298 -8.908 -11.213 1.00 0.01 N ATOM 1391 CA SER A 89 -8.564 -9.958 -11.993 1.00 0.01 C ATOM 1392 C SER A 89 -9.159 -10.004 -13.395 1.00 0.01 C ATOM 1393 O SER A 89 -10.364 -9.972 -13.546 1.00 0.01 O ATOM 1394 CB SER A 89 -8.731 -11.343 -11.362 1.00 0.43 C ATOM 1395 OG SER A 89 -8.419 -12.340 -12.326 1.00 1.26 O ATOM 0 H SER A 89 -10.285 -9.102 -11.046 1.00 0.01 H new ATOM 0 HA SER A 89 -7.504 -9.706 -12.006 1.00 0.01 H new ATOM 0 HB2 SER A 89 -8.077 -11.442 -10.496 1.00 0.43 H new ATOM 0 HB3 SER A 89 -9.753 -11.472 -11.006 1.00 0.43 H new ATOM 0 HG SER A 89 -8.524 -13.228 -11.924 1.00 1.26 H new ATOM 1401 N GLY A 90 -8.371 -10.033 -14.437 1.00 0.01 N ATOM 1402 CA GLY A 90 -9.011 -10.025 -15.796 1.00 0.00 C ATOM 1403 C GLY A 90 -8.089 -10.545 -16.922 1.00 0.00 C ATOM 1404 O GLY A 90 -8.518 -11.337 -17.737 1.00 0.01 O ATOM 0 H GLY A 90 -7.352 -10.061 -14.417 1.00 0.01 H new ATOM 0 HA2 GLY A 90 -9.913 -10.636 -15.766 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -9.323 -9.008 -16.035 1.00 0.00 H new ATOM 1408 N GLY A 91 -6.840 -10.134 -17.005 1.00 0.00 N ATOM 1409 CA GLY A 91 -5.990 -10.662 -18.106 1.00 0.00 C ATOM 1410 C GLY A 91 -4.511 -10.344 -17.863 1.00 0.00 C ATOM 1411 O GLY A 91 -3.864 -10.994 -17.066 1.00 0.01 O ATOM 0 H GLY A 91 -6.390 -9.473 -16.372 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -6.124 -11.741 -18.188 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -6.307 -10.228 -19.054 1.00 0.00 H new ATOM 1415 N GLN A 92 -3.967 -9.363 -18.543 1.00 1.80 N ATOM 1416 CA GLN A 92 -2.516 -9.012 -18.352 1.00 2.31 C ATOM 1417 C GLN A 92 -2.383 -7.571 -17.859 1.00 1.91 C ATOM 1418 O GLN A 92 -2.780 -6.629 -18.516 1.00 2.31 O ATOM 1419 CB GLN A 92 -1.786 -9.196 -19.684 1.00 2.11 C ATOM 1420 CG GLN A 92 -0.275 -9.104 -19.455 1.00 2.86 C ATOM 1421 CD GLN A 92 0.210 -10.370 -18.745 1.00 3.70 C ATOM 1422 OE1 GLN A 92 0.520 -10.340 -17.571 1.00 3.99 O ATOM 1423 NE2 GLN A 92 0.291 -11.488 -19.414 1.00 4.43 N ATOM 0 H GLN A 92 -4.463 -8.787 -19.224 1.00 1.80 H new ATOM 0 HA GLN A 92 -2.072 -9.666 -17.602 1.00 2.31 H new ATOM 0 HB2 GLN A 92 -2.040 -10.162 -20.120 1.00 2.11 H new ATOM 0 HB3 GLN A 92 -2.104 -8.432 -20.394 1.00 2.11 H new ATOM 0 HG2 GLN A 92 0.242 -8.988 -20.408 1.00 2.86 H new ATOM 0 HG3 GLN A 92 -0.040 -8.225 -18.855 1.00 2.86 H new ATOM 0 HE21 GLN A 92 0.030 -11.512 -20.400 1.00 4.43 H new ATOM 0 HE22 GLN A 92 0.615 -12.337 -18.951 1.00 4.43 H new ATOM 1432 N ALA A 93 -1.829 -7.408 -16.684 1.00 0.01 N ATOM 1433 CA ALA A 93 -1.672 -6.037 -16.118 1.00 0.01 C ATOM 1434 C ALA A 93 -0.527 -5.324 -16.835 1.00 0.01 C ATOM 1435 O ALA A 93 0.555 -5.857 -16.983 1.00 0.01 O ATOM 1436 CB ALA A 93 -1.347 -6.131 -14.627 1.00 2.99 C ATOM 0 H ALA A 93 -1.480 -8.164 -16.095 1.00 0.01 H new ATOM 0 HA ALA A 93 -2.599 -5.481 -16.255 1.00 0.01 H new ATOM 0 HB1 ALA A 93 -1.233 -5.128 -14.216 1.00 2.99 H new ATOM 0 HB2 ALA A 93 -2.157 -6.645 -14.110 1.00 2.99 H new ATOM 0 HB3 ALA A 93 -0.419 -6.687 -14.491 1.00 2.99 H new ATOM 1442 N LYS A 94 -0.766 -4.121 -17.287 1.00 0.00 N ATOM 1443 CA LYS A 94 0.289 -3.343 -18.011 1.00 0.01 C ATOM 1444 C LYS A 94 0.368 -1.934 -17.416 1.00 0.01 C ATOM 1445 O LYS A 94 -0.639 -1.312 -17.146 1.00 0.01 O ATOM 1446 CB LYS A 94 -0.110 -3.266 -19.488 1.00 2.49 C ATOM 1447 CG LYS A 94 1.062 -2.737 -20.319 1.00 3.43 C ATOM 1448 CD LYS A 94 0.775 -2.954 -21.809 1.00 4.11 C ATOM 1449 CE LYS A 94 -0.433 -2.114 -22.241 1.00 5.23 C ATOM 1450 NZ LYS A 94 -1.691 -2.821 -21.872 1.00 6.36 N ATOM 0 H LYS A 94 -1.658 -3.636 -17.185 1.00 0.00 H new ATOM 0 HA LYS A 94 1.262 -3.823 -17.913 1.00 0.01 H new ATOM 0 HB2 LYS A 94 -0.404 -4.253 -19.846 1.00 2.49 H new ATOM 0 HB3 LYS A 94 -0.975 -2.613 -19.606 1.00 2.49 H new ATOM 0 HG2 LYS A 94 1.214 -1.676 -20.118 1.00 3.43 H new ATOM 0 HG3 LYS A 94 1.982 -3.250 -20.037 1.00 3.43 H new ATOM 0 HD2 LYS A 94 1.649 -2.679 -22.399 1.00 4.11 H new ATOM 0 HD3 LYS A 94 0.581 -4.009 -22.000 1.00 4.11 H new ATOM 0 HE2 LYS A 94 -0.399 -1.136 -21.761 1.00 5.23 H new ATOM 0 HE3 LYS A 94 -0.403 -1.942 -23.317 1.00 5.23 H new ATOM 0 HZ1 LYS A 94 -2.337 -2.828 -22.687 1.00 6.36 H new ATOM 0 HZ2 LYS A 94 -1.471 -3.799 -21.595 1.00 6.36 H new ATOM 0 HZ3 LYS A 94 -2.144 -2.330 -21.075 1.00 6.36 H new ATOM 1464 N ILE A 95 1.563 -1.431 -17.206 1.00 0.00 N ATOM 1465 CA ILE A 95 1.720 -0.056 -16.623 1.00 0.01 C ATOM 1466 C ILE A 95 2.659 0.765 -17.508 1.00 0.01 C ATOM 1467 O ILE A 95 3.620 0.260 -18.061 1.00 0.01 O ATOM 1468 CB ILE A 95 2.299 -0.167 -15.208 1.00 0.34 C ATOM 1469 CG1 ILE A 95 2.663 1.228 -14.692 1.00 0.30 C ATOM 1470 CG2 ILE A 95 3.550 -1.047 -15.227 1.00 0.36 C ATOM 1471 CD1 ILE A 95 2.898 1.171 -13.184 1.00 1.09 C ATOM 0 H ILE A 95 2.438 -1.913 -17.413 1.00 0.00 H new ATOM 0 HA ILE A 95 0.749 0.438 -16.575 1.00 0.01 H new ATOM 0 HB ILE A 95 1.554 -0.615 -14.550 1.00 0.34 H new ATOM 0 HG12 ILE A 95 3.558 1.591 -15.196 1.00 0.30 H new ATOM 0 HG13 ILE A 95 1.862 1.931 -14.919 1.00 0.30 H new ATOM 0 HG21 ILE A 95 3.957 -1.122 -14.219 1.00 0.36 H new ATOM 0 HG22 ILE A 95 3.290 -2.042 -15.588 1.00 0.36 H new ATOM 0 HG23 ILE A 95 4.296 -0.605 -15.887 1.00 0.36 H new ATOM 0 HD11 ILE A 95 3.157 2.165 -12.818 1.00 1.09 H new ATOM 0 HD12 ILE A 95 1.991 0.826 -12.687 1.00 1.09 H new ATOM 0 HD13 ILE A 95 3.714 0.481 -12.969 1.00 1.09 H new ATOM 1483 N GLN A 96 2.405 2.049 -17.606 1.00 0.01 N ATOM 1484 CA GLN A 96 3.288 2.960 -18.399 1.00 0.01 C ATOM 1485 C GLN A 96 3.806 4.049 -17.455 1.00 0.01 C ATOM 1486 O GLN A 96 3.040 4.633 -16.713 1.00 0.00 O ATOM 1487 CB GLN A 96 2.500 3.587 -19.553 1.00 0.53 C ATOM 1488 CG GLN A 96 1.152 4.090 -19.048 1.00 0.82 C ATOM 1489 CD GLN A 96 0.363 4.687 -20.213 1.00 1.25 C ATOM 1490 OE1 GLN A 96 0.868 5.518 -20.942 1.00 1.75 O ATOM 1491 NE2 GLN A 96 -0.864 4.297 -20.421 1.00 2.05 N ATOM 0 H GLN A 96 1.610 2.510 -17.163 1.00 0.01 H new ATOM 0 HA GLN A 96 4.122 2.403 -18.827 1.00 0.01 H new ATOM 0 HB2 GLN A 96 3.067 4.411 -19.986 1.00 0.53 H new ATOM 0 HB3 GLN A 96 2.351 2.852 -20.344 1.00 0.53 H new ATOM 0 HG2 GLN A 96 0.592 3.271 -18.597 1.00 0.82 H new ATOM 0 HG3 GLN A 96 1.299 4.841 -18.272 1.00 0.82 H new ATOM 0 HE21 GLN A 96 -1.288 3.600 -19.809 1.00 2.05 H new ATOM 0 HE22 GLN A 96 -1.400 4.689 -21.195 1.00 2.05 H new ATOM 1500 N VAL A 97 5.084 4.341 -17.465 1.00 0.01 N ATOM 1501 CA VAL A 97 5.635 5.404 -16.556 1.00 0.01 C ATOM 1502 C VAL A 97 6.341 6.470 -17.397 1.00 0.01 C ATOM 1503 O VAL A 97 6.922 6.179 -18.424 1.00 0.01 O ATOM 1504 CB VAL A 97 6.644 4.777 -15.585 1.00 0.77 C ATOM 1505 CG1 VAL A 97 5.980 3.638 -14.803 1.00 1.10 C ATOM 1506 CG2 VAL A 97 7.834 4.227 -16.378 1.00 1.03 C ATOM 0 H VAL A 97 5.774 3.889 -18.065 1.00 0.01 H new ATOM 0 HA VAL A 97 4.820 5.858 -15.992 1.00 0.01 H new ATOM 0 HB VAL A 97 6.988 5.537 -14.883 1.00 0.77 H new ATOM 0 HG11 VAL A 97 6.703 3.198 -14.116 1.00 1.10 H new ATOM 0 HG12 VAL A 97 5.134 4.029 -14.238 1.00 1.10 H new ATOM 0 HG13 VAL A 97 5.630 2.875 -15.498 1.00 1.10 H new ATOM 0 HG21 VAL A 97 8.553 3.781 -15.692 1.00 1.03 H new ATOM 0 HG22 VAL A 97 7.485 3.470 -17.080 1.00 1.03 H new ATOM 0 HG23 VAL A 97 8.312 5.039 -16.927 1.00 1.03 H new ATOM 1516 N PHE A 98 6.266 7.714 -16.973 1.00 0.01 N ATOM 1517 CA PHE A 98 6.902 8.830 -17.752 1.00 0.01 C ATOM 1518 C PHE A 98 7.993 9.520 -16.926 1.00 0.01 C ATOM 1519 O PHE A 98 7.877 9.705 -15.731 1.00 0.01 O ATOM 1520 CB PHE A 98 5.830 9.855 -18.125 1.00 0.25 C ATOM 1521 CG PHE A 98 4.910 9.265 -19.170 1.00 0.36 C ATOM 1522 CD1 PHE A 98 3.923 8.349 -18.791 1.00 0.42 C ATOM 1523 CD2 PHE A 98 5.037 9.640 -20.514 1.00 0.58 C ATOM 1524 CE1 PHE A 98 3.064 7.805 -19.753 1.00 0.56 C ATOM 1525 CE2 PHE A 98 4.177 9.098 -21.477 1.00 0.73 C ATOM 1526 CZ PHE A 98 3.191 8.181 -21.096 1.00 0.69 C ATOM 0 H PHE A 98 5.790 8.004 -16.119 1.00 0.01 H new ATOM 0 HA PHE A 98 7.357 8.413 -18.650 1.00 0.01 H new ATOM 0 HB2 PHE A 98 5.259 10.138 -17.241 1.00 0.25 H new ATOM 0 HB3 PHE A 98 6.297 10.763 -18.507 1.00 0.25 H new ATOM 0 HD1 PHE A 98 3.824 8.061 -17.755 1.00 0.42 H new ATOM 0 HD2 PHE A 98 5.799 10.347 -20.807 1.00 0.58 H new ATOM 0 HE1 PHE A 98 2.304 7.096 -19.460 1.00 0.56 H new ATOM 0 HE2 PHE A 98 4.275 9.387 -22.513 1.00 0.73 H new ATOM 0 HZ PHE A 98 2.527 7.763 -21.838 1.00 0.69 H new ATOM 1536 N GLU A 99 9.069 9.865 -17.580 1.00 0.01 N ATOM 1537 CA GLU A 99 10.214 10.510 -16.875 1.00 0.01 C ATOM 1538 C GLU A 99 9.838 11.897 -16.335 1.00 0.01 C ATOM 1539 O GLU A 99 10.384 12.333 -15.342 1.00 0.01 O ATOM 1540 CB GLU A 99 11.392 10.651 -17.843 1.00 0.01 C ATOM 1541 CG GLU A 99 12.638 11.092 -17.072 1.00 0.01 C ATOM 1542 CD GLU A 99 13.814 11.233 -18.040 1.00 0.01 C ATOM 1543 OE1 GLU A 99 14.135 10.256 -18.696 1.00 0.02 O ATOM 1544 OE2 GLU A 99 14.373 12.315 -18.109 1.00 0.01 O ATOM 0 H GLU A 99 9.205 9.726 -18.581 1.00 0.01 H new ATOM 0 HA GLU A 99 10.487 9.878 -16.030 1.00 0.01 H new ATOM 0 HB2 GLU A 99 11.579 9.702 -18.345 1.00 0.01 H new ATOM 0 HB3 GLU A 99 11.154 11.380 -18.618 1.00 0.01 H new ATOM 0 HG2 GLU A 99 12.451 12.041 -16.570 1.00 0.01 H new ATOM 0 HG3 GLU A 99 12.876 10.363 -16.297 1.00 0.01 H new ATOM 1551 N LYS A 100 8.922 12.597 -16.970 1.00 0.01 N ATOM 1552 CA LYS A 100 8.534 13.964 -16.474 1.00 0.01 C ATOM 1553 C LYS A 100 7.056 13.988 -16.072 1.00 0.01 C ATOM 1554 O LYS A 100 6.294 13.084 -16.360 1.00 0.01 O ATOM 1555 CB LYS A 100 8.788 15.007 -17.564 1.00 0.94 C ATOM 1556 CG LYS A 100 10.293 15.121 -17.821 1.00 1.63 C ATOM 1557 CD LYS A 100 10.537 15.856 -19.143 1.00 2.19 C ATOM 1558 CE LYS A 100 9.802 17.199 -19.131 1.00 2.84 C ATOM 1559 NZ LYS A 100 10.343 18.070 -20.214 1.00 3.18 N ATOM 0 H LYS A 100 8.428 12.284 -17.806 1.00 0.01 H new ATOM 0 HA LYS A 100 9.141 14.200 -15.600 1.00 0.01 H new ATOM 0 HB2 LYS A 100 8.272 14.723 -18.481 1.00 0.94 H new ATOM 0 HB3 LYS A 100 8.386 15.973 -17.258 1.00 0.94 H new ATOM 0 HG2 LYS A 100 10.772 15.657 -17.002 1.00 1.63 H new ATOM 0 HG3 LYS A 100 10.742 14.128 -17.858 1.00 1.63 H new ATOM 0 HD2 LYS A 100 11.605 16.017 -19.289 1.00 2.19 H new ATOM 0 HD3 LYS A 100 10.189 15.248 -19.978 1.00 2.19 H new ATOM 0 HE2 LYS A 100 8.733 17.042 -19.275 1.00 2.84 H new ATOM 0 HE3 LYS A 100 9.925 17.685 -18.163 1.00 2.84 H new ATOM 0 HZ1 LYS A 100 9.845 18.983 -20.207 1.00 3.18 H new ATOM 0 HZ2 LYS A 100 11.359 18.229 -20.057 1.00 3.18 H new ATOM 0 HZ3 LYS A 100 10.204 17.606 -21.134 1.00 3.18 H new ATOM 1573 N GLY A 101 6.652 15.038 -15.416 1.00 0.01 N ATOM 1574 CA GLY A 101 5.237 15.165 -14.967 1.00 0.01 C ATOM 1575 C GLY A 101 4.290 15.264 -16.165 1.00 0.00 C ATOM 1576 O GLY A 101 4.704 15.444 -17.297 1.00 0.01 O ATOM 0 H GLY A 101 7.251 15.826 -15.168 1.00 0.01 H new ATOM 0 HA2 GLY A 101 4.967 14.304 -14.355 1.00 0.01 H new ATOM 0 HA3 GLY A 101 5.129 16.049 -14.339 1.00 0.01 H new ATOM 1580 N ASP A 102 3.012 15.160 -15.892 1.00 0.01 N ATOM 1581 CA ASP A 102 1.969 15.267 -16.955 1.00 0.00 C ATOM 1582 C ASP A 102 2.264 14.323 -18.114 1.00 0.00 C ATOM 1583 O ASP A 102 2.046 14.639 -19.268 1.00 0.01 O ATOM 1584 CB ASP A 102 1.911 16.708 -17.466 1.00 0.01 C ATOM 1585 CG ASP A 102 1.587 17.648 -16.304 1.00 0.01 C ATOM 1586 OD1 ASP A 102 0.647 17.362 -15.580 1.00 0.01 O ATOM 1587 OD2 ASP A 102 2.284 18.638 -16.156 1.00 0.01 O ATOM 0 H ASP A 102 2.642 15.002 -14.955 1.00 0.01 H new ATOM 0 HA ASP A 102 1.008 14.985 -16.525 1.00 0.00 H new ATOM 0 HB2 ASP A 102 2.864 16.984 -17.916 1.00 0.01 H new ATOM 0 HB3 ASP A 102 1.153 16.799 -18.244 1.00 0.01 H new ATOM 1592 N PHE A 103 2.726 13.147 -17.806 1.00 0.01 N ATOM 1593 CA PHE A 103 3.006 12.140 -18.862 1.00 0.01 C ATOM 1594 C PHE A 103 3.892 12.731 -19.955 1.00 0.00 C ATOM 1595 O PHE A 103 3.591 12.629 -21.128 1.00 0.01 O ATOM 1596 CB PHE A 103 1.682 11.675 -19.475 1.00 0.01 C ATOM 1597 CG PHE A 103 0.664 11.480 -18.373 1.00 0.00 C ATOM 1598 CD1 PHE A 103 0.919 10.568 -17.343 1.00 0.01 C ATOM 1599 CD2 PHE A 103 -0.533 12.211 -18.378 1.00 0.01 C ATOM 1600 CE1 PHE A 103 -0.019 10.384 -16.320 1.00 0.01 C ATOM 1601 CE2 PHE A 103 -1.470 12.027 -17.356 1.00 0.01 C ATOM 1602 CZ PHE A 103 -1.213 11.114 -16.326 1.00 0.01 C ATOM 0 H PHE A 103 2.924 12.837 -16.855 1.00 0.01 H new ATOM 0 HA PHE A 103 3.530 11.296 -18.412 1.00 0.01 H new ATOM 0 HB2 PHE A 103 1.322 12.412 -20.193 1.00 0.01 H new ATOM 0 HB3 PHE A 103 1.828 10.743 -20.021 1.00 0.01 H new ATOM 0 HD1 PHE A 103 1.841 10.005 -17.337 1.00 0.01 H new ATOM 0 HD2 PHE A 103 -0.731 12.916 -19.171 1.00 0.01 H new ATOM 0 HE1 PHE A 103 0.179 9.679 -15.526 1.00 0.01 H new ATOM 0 HE2 PHE A 103 -2.392 12.589 -17.361 1.00 0.01 H new ATOM 0 HZ PHE A 103 -1.936 10.973 -15.536 1.00 0.01 H new ATOM 1612 N ASN A 104 4.997 13.323 -19.582 1.00 0.00 N ATOM 1613 CA ASN A 104 5.937 13.900 -20.598 1.00 0.01 C ATOM 1614 C ASN A 104 7.322 13.294 -20.375 1.00 0.01 C ATOM 1615 O ASN A 104 7.580 12.676 -19.361 1.00 0.01 O ATOM 1616 CB ASN A 104 6.010 15.421 -20.435 1.00 1.68 C ATOM 1617 CG ASN A 104 6.924 16.008 -21.512 1.00 2.31 C ATOM 1618 OD1 ASN A 104 8.127 16.042 -21.353 1.00 3.15 O ATOM 1619 ND2 ASN A 104 6.398 16.477 -22.611 1.00 2.38 N ATOM 0 H ASN A 104 5.293 13.434 -18.612 1.00 0.00 H new ATOM 0 HA ASN A 104 5.583 13.671 -21.603 1.00 0.01 H new ATOM 0 HB2 ASN A 104 5.013 15.854 -20.514 1.00 1.68 H new ATOM 0 HB3 ASN A 104 6.389 15.673 -19.445 1.00 1.68 H new ATOM 0 HD21 ASN A 104 6.998 16.872 -23.335 1.00 2.38 H new ATOM 0 HD22 ASN A 104 5.387 16.449 -22.745 1.00 2.38 H new ATOM 1626 N GLY A 105 8.217 13.446 -21.318 1.00 0.01 N ATOM 1627 CA GLY A 105 9.583 12.865 -21.155 1.00 0.01 C ATOM 1628 C GLY A 105 9.626 11.477 -21.792 1.00 0.01 C ATOM 1629 O GLY A 105 8.741 11.102 -22.535 1.00 0.01 O ATOM 0 H GLY A 105 8.061 13.947 -22.193 1.00 0.01 H new ATOM 0 HA2 GLY A 105 10.324 13.514 -21.622 1.00 0.01 H new ATOM 0 HA3 GLY A 105 9.838 12.799 -20.097 1.00 0.01 H new ATOM 1633 N GLN A 106 10.632 10.702 -21.499 1.00 0.01 N ATOM 1634 CA GLN A 106 10.703 9.334 -22.079 1.00 0.01 C ATOM 1635 C GLN A 106 9.681 8.455 -21.358 1.00 0.01 C ATOM 1636 O GLN A 106 9.433 8.611 -20.178 1.00 0.01 O ATOM 1637 CB GLN A 106 12.110 8.765 -21.875 1.00 0.01 C ATOM 1638 CG GLN A 106 12.227 7.417 -22.590 1.00 0.01 C ATOM 1639 CD GLN A 106 13.684 6.951 -22.568 1.00 0.01 C ATOM 1640 OE1 GLN A 106 14.107 6.197 -23.422 1.00 0.01 O ATOM 1641 NE2 GLN A 106 14.476 7.370 -21.618 1.00 0.01 N ATOM 0 H GLN A 106 11.406 10.956 -20.885 1.00 0.01 H new ATOM 0 HA GLN A 106 10.486 9.363 -23.147 1.00 0.01 H new ATOM 0 HB2 GLN A 106 12.854 9.460 -22.264 1.00 0.01 H new ATOM 0 HB3 GLN A 106 12.313 8.643 -20.811 1.00 0.01 H new ATOM 0 HG2 GLN A 106 11.591 6.678 -22.102 1.00 0.01 H new ATOM 0 HG3 GLN A 106 11.879 7.508 -23.619 1.00 0.01 H new ATOM 0 HE21 GLN A 106 14.122 8.003 -20.901 1.00 0.01 H new ATOM 0 HE22 GLN A 106 15.449 7.064 -21.593 1.00 0.01 H new ATOM 1650 N MET A 107 9.075 7.542 -22.076 1.00 0.01 N ATOM 1651 CA MET A 107 8.046 6.642 -21.469 1.00 0.01 C ATOM 1652 C MET A 107 8.534 5.196 -21.513 1.00 0.01 C ATOM 1653 O MET A 107 9.151 4.760 -22.465 1.00 0.01 O ATOM 1654 CB MET A 107 6.744 6.750 -22.272 1.00 0.00 C ATOM 1655 CG MET A 107 5.656 5.873 -21.636 1.00 0.01 C ATOM 1656 SD MET A 107 5.860 4.152 -22.169 1.00 0.01 S ATOM 1657 CE MET A 107 5.442 4.376 -23.917 1.00 0.01 C ATOM 0 H MET A 107 9.251 7.380 -23.068 1.00 0.01 H new ATOM 0 HA MET A 107 7.875 6.939 -20.434 1.00 0.01 H new ATOM 0 HB2 MET A 107 6.413 7.788 -22.304 1.00 0.00 H new ATOM 0 HB3 MET A 107 6.916 6.439 -23.302 1.00 0.00 H new ATOM 0 HG2 MET A 107 5.715 5.936 -20.549 1.00 0.01 H new ATOM 0 HG3 MET A 107 4.669 6.237 -21.923 1.00 0.01 H new ATOM 0 HE1 MET A 107 4.914 3.494 -24.281 1.00 0.01 H new ATOM 0 HE2 MET A 107 4.804 5.253 -24.029 1.00 0.01 H new ATOM 0 HE3 MET A 107 6.356 4.516 -24.495 1.00 0.01 H new ATOM 1667 N TYR A 108 8.234 4.446 -20.487 1.00 0.01 N ATOM 1668 CA TYR A 108 8.633 3.007 -20.429 1.00 0.00 C ATOM 1669 C TYR A 108 7.404 2.189 -20.014 1.00 0.01 C ATOM 1670 O TYR A 108 6.653 2.574 -19.140 1.00 0.01 O ATOM 1671 CB TYR A 108 9.741 2.823 -19.392 1.00 0.54 C ATOM 1672 CG TYR A 108 11.049 3.333 -19.949 1.00 0.60 C ATOM 1673 CD1 TYR A 108 11.855 2.491 -20.726 1.00 1.24 C ATOM 1674 CD2 TYR A 108 11.458 4.646 -19.686 1.00 0.93 C ATOM 1675 CE1 TYR A 108 13.070 2.963 -21.239 1.00 1.76 C ATOM 1676 CE2 TYR A 108 12.672 5.118 -20.200 1.00 1.51 C ATOM 1677 CZ TYR A 108 13.478 4.276 -20.976 1.00 1.82 C ATOM 1678 OH TYR A 108 14.676 4.740 -21.480 1.00 2.48 O ATOM 0 H TYR A 108 7.719 4.775 -19.670 1.00 0.01 H new ATOM 0 HA TYR A 108 9.000 2.677 -21.401 1.00 0.00 H new ATOM 0 HB2 TYR A 108 9.490 3.361 -18.478 1.00 0.54 H new ATOM 0 HB3 TYR A 108 9.833 1.770 -19.127 1.00 0.54 H new ATOM 0 HD1 TYR A 108 11.540 1.478 -20.929 1.00 1.24 H new ATOM 0 HD2 TYR A 108 10.837 5.295 -19.086 1.00 0.93 H new ATOM 0 HE1 TYR A 108 13.692 2.314 -21.837 1.00 1.76 H new ATOM 0 HE2 TYR A 108 12.987 6.131 -19.998 1.00 1.51 H new ATOM 0 HH TYR A 108 14.635 4.755 -22.459 1.00 2.48 H new ATOM 1688 N GLU A 109 7.180 1.078 -20.671 1.00 0.01 N ATOM 1689 CA GLU A 109 5.983 0.222 -20.371 1.00 0.01 C ATOM 1690 C GLU A 109 6.432 -1.173 -19.936 1.00 0.01 C ATOM 1691 O GLU A 109 7.310 -1.764 -20.531 1.00 0.01 O ATOM 1692 CB GLU A 109 5.134 0.128 -21.642 1.00 0.01 C ATOM 1693 CG GLU A 109 3.796 -0.543 -21.322 1.00 0.01 C ATOM 1694 CD GLU A 109 2.831 -0.338 -22.490 1.00 0.00 C ATOM 1695 OE1 GLU A 109 3.037 -0.961 -23.519 1.00 0.00 O ATOM 1696 OE2 GLU A 109 1.902 0.437 -22.336 1.00 0.00 O ATOM 0 H GLU A 109 7.782 0.721 -21.413 1.00 0.01 H new ATOM 0 HA GLU A 109 5.400 0.661 -19.561 1.00 0.01 H new ATOM 0 HB2 GLU A 109 4.963 1.124 -22.051 1.00 0.01 H new ATOM 0 HB3 GLU A 109 5.665 -0.443 -22.404 1.00 0.01 H new ATOM 0 HG2 GLU A 109 3.945 -1.608 -21.142 1.00 0.01 H new ATOM 0 HG3 GLU A 109 3.374 -0.121 -20.410 1.00 0.01 H new ATOM 1703 N THR A 110 5.840 -1.708 -18.891 1.00 0.01 N ATOM 1704 CA THR A 110 6.253 -3.067 -18.423 1.00 0.00 C ATOM 1705 C THR A 110 5.074 -3.809 -17.778 1.00 0.01 C ATOM 1706 O THR A 110 4.150 -3.222 -17.246 1.00 0.01 O ATOM 1707 CB THR A 110 7.382 -2.937 -17.396 1.00 1.21 C ATOM 1708 OG1 THR A 110 7.649 -4.211 -16.827 1.00 1.65 O ATOM 1709 CG2 THR A 110 6.963 -1.963 -16.296 1.00 1.69 C ATOM 0 H THR A 110 5.097 -1.266 -18.349 1.00 0.01 H new ATOM 0 HA THR A 110 6.595 -3.635 -19.288 1.00 0.00 H new ATOM 0 HB THR A 110 8.280 -2.562 -17.887 1.00 1.21 H new ATOM 0 HG1 THR A 110 7.886 -4.843 -17.537 1.00 1.65 H new ATOM 0 HG21 THR A 110 7.767 -1.871 -15.566 1.00 1.69 H new ATOM 0 HG22 THR A 110 6.757 -0.986 -16.734 1.00 1.69 H new ATOM 0 HG23 THR A 110 6.065 -2.336 -15.803 1.00 1.69 H new ATOM 1717 N THR A 111 5.117 -5.112 -17.855 1.00 0.00 N ATOM 1718 CA THR A 111 4.031 -5.970 -17.279 1.00 0.01 C ATOM 1719 C THR A 111 4.562 -6.746 -16.070 1.00 0.01 C ATOM 1720 O THR A 111 3.911 -7.645 -15.574 1.00 0.01 O ATOM 1721 CB THR A 111 3.556 -6.960 -18.347 1.00 0.01 C ATOM 1722 OG1 THR A 111 4.450 -8.064 -18.397 1.00 0.01 O ATOM 1723 CG2 THR A 111 3.523 -6.266 -19.709 1.00 0.01 C ATOM 0 H THR A 111 5.873 -5.632 -18.301 1.00 0.00 H new ATOM 0 HA THR A 111 3.202 -5.338 -16.961 1.00 0.01 H new ATOM 0 HB THR A 111 2.555 -7.313 -18.098 1.00 0.01 H new ATOM 0 HG1 THR A 111 5.341 -7.751 -18.658 1.00 0.01 H new ATOM 0 HG21 THR A 111 3.185 -6.971 -20.468 1.00 0.01 H new ATOM 0 HG22 THR A 111 2.838 -5.419 -19.669 1.00 0.01 H new ATOM 0 HG23 THR A 111 4.523 -5.912 -19.961 1.00 0.01 H new ATOM 1731 N GLU A 112 5.753 -6.432 -15.611 1.00 0.01 N ATOM 1732 CA GLU A 112 6.348 -7.181 -14.449 1.00 0.01 C ATOM 1733 C GLU A 112 6.650 -6.240 -13.276 1.00 0.01 C ATOM 1734 O GLU A 112 6.739 -5.038 -13.431 1.00 0.01 O ATOM 1735 CB GLU A 112 7.654 -7.846 -14.905 1.00 0.85 C ATOM 1736 CG GLU A 112 7.473 -8.438 -16.309 1.00 1.61 C ATOM 1737 CD GLU A 112 7.564 -7.324 -17.355 1.00 2.51 C ATOM 1738 OE1 GLU A 112 8.457 -6.500 -17.237 1.00 3.07 O ATOM 1739 OE2 GLU A 112 6.739 -7.312 -18.254 1.00 3.21 O ATOM 0 H GLU A 112 6.341 -5.689 -15.990 1.00 0.01 H new ATOM 0 HA GLU A 112 5.629 -7.928 -14.113 1.00 0.01 H new ATOM 0 HB2 GLU A 112 8.463 -7.115 -14.910 1.00 0.85 H new ATOM 0 HB3 GLU A 112 7.938 -8.630 -14.203 1.00 0.85 H new ATOM 0 HG2 GLU A 112 8.238 -9.191 -16.498 1.00 1.61 H new ATOM 0 HG3 GLU A 112 6.508 -8.940 -16.381 1.00 1.61 H new ATOM 1746 N ASP A 113 6.839 -6.796 -12.106 1.00 0.01 N ATOM 1747 CA ASP A 113 7.170 -5.968 -10.908 1.00 0.01 C ATOM 1748 C ASP A 113 8.568 -5.380 -11.104 1.00 0.00 C ATOM 1749 O ASP A 113 9.380 -5.924 -11.826 1.00 0.01 O ATOM 1750 CB ASP A 113 7.170 -6.856 -9.662 1.00 0.01 C ATOM 1751 CG ASP A 113 8.279 -7.905 -9.773 1.00 0.01 C ATOM 1752 OD1 ASP A 113 8.031 -8.942 -10.366 1.00 0.00 O ATOM 1753 OD2 ASP A 113 9.357 -7.655 -9.260 1.00 0.00 O ATOM 0 H ASP A 113 6.777 -7.799 -11.929 1.00 0.01 H new ATOM 0 HA ASP A 113 6.435 -5.172 -10.785 1.00 0.01 H new ATOM 0 HB2 ASP A 113 7.321 -6.247 -8.770 1.00 0.01 H new ATOM 0 HB3 ASP A 113 6.203 -7.346 -9.554 1.00 0.01 H new ATOM 1758 N CYS A 114 8.864 -4.290 -10.433 1.00 0.01 N ATOM 1759 CA CYS A 114 10.225 -3.674 -10.535 1.00 0.01 C ATOM 1760 C CYS A 114 10.806 -3.514 -9.111 1.00 0.01 C ATOM 1761 O CYS A 114 10.311 -2.699 -8.354 1.00 0.01 O ATOM 1762 CB CYS A 114 10.100 -2.287 -11.163 1.00 0.01 C ATOM 1763 SG CYS A 114 11.724 -1.491 -11.184 1.00 0.01 S ATOM 0 H CYS A 114 8.217 -3.799 -9.816 1.00 0.01 H new ATOM 0 HA CYS A 114 10.872 -4.306 -11.143 1.00 0.01 H new ATOM 0 HB2 CYS A 114 9.709 -2.368 -12.177 1.00 0.01 H new ATOM 0 HB3 CYS A 114 9.393 -1.681 -10.597 1.00 0.01 H new ATOM 0 HG CYS A 114 12.650 -2.398 -11.282 1.00 0.01 H new ATOM 1769 N PRO A 115 11.849 -4.242 -8.732 1.00 0.01 N ATOM 1770 CA PRO A 115 12.428 -4.071 -7.369 1.00 0.01 C ATOM 1771 C PRO A 115 13.271 -2.793 -7.281 1.00 0.01 C ATOM 1772 O PRO A 115 13.358 -2.173 -6.239 1.00 0.01 O ATOM 1773 CB PRO A 115 13.294 -5.333 -7.222 1.00 0.01 C ATOM 1774 CG PRO A 115 13.539 -5.900 -8.633 1.00 0.01 C ATOM 1775 CD PRO A 115 12.510 -5.271 -9.591 1.00 0.01 C ATOM 0 HA PRO A 115 11.680 -3.966 -6.583 1.00 0.01 H new ATOM 0 HB2 PRO A 115 14.240 -5.093 -6.737 1.00 0.01 H new ATOM 0 HB3 PRO A 115 12.792 -6.070 -6.595 1.00 0.01 H new ATOM 0 HG2 PRO A 115 14.553 -5.674 -8.963 1.00 0.01 H new ATOM 0 HG3 PRO A 115 13.440 -6.986 -8.629 1.00 0.01 H new ATOM 0 HD2 PRO A 115 12.988 -4.824 -10.463 1.00 0.01 H new ATOM 0 HD3 PRO A 115 11.797 -6.008 -9.961 1.00 0.01 H new ATOM 1783 N SER A 116 13.894 -2.398 -8.361 1.00 0.01 N ATOM 1784 CA SER A 116 14.734 -1.163 -8.345 1.00 0.02 C ATOM 1785 C SER A 116 14.518 -0.411 -9.655 1.00 0.01 C ATOM 1786 O SER A 116 14.953 -0.826 -10.713 1.00 0.00 O ATOM 1787 CB SER A 116 16.207 -1.551 -8.204 1.00 0.01 C ATOM 1788 OG SER A 116 17.019 -0.490 -8.687 1.00 0.01 O ATOM 0 H SER A 116 13.857 -2.881 -9.259 1.00 0.01 H new ATOM 0 HA SER A 116 14.454 -0.528 -7.505 1.00 0.02 H new ATOM 0 HB2 SER A 116 16.442 -1.758 -7.160 1.00 0.01 H new ATOM 0 HB3 SER A 116 16.410 -2.464 -8.764 1.00 0.01 H new ATOM 0 HG SER A 116 17.955 -0.662 -8.453 1.00 0.01 H new ATOM 1794 N ILE A 117 13.812 0.682 -9.585 1.00 0.01 N ATOM 1795 CA ILE A 117 13.508 1.475 -10.806 1.00 0.01 C ATOM 1796 C ILE A 117 14.789 2.039 -11.420 1.00 0.01 C ATOM 1797 O ILE A 117 14.922 2.088 -12.626 1.00 0.00 O ATOM 1798 CB ILE A 117 12.551 2.611 -10.424 1.00 0.57 C ATOM 1799 CG1 ILE A 117 11.158 2.024 -10.195 1.00 1.44 C ATOM 1800 CG2 ILE A 117 12.481 3.657 -11.540 1.00 0.93 C ATOM 1801 CD1 ILE A 117 10.274 3.066 -9.523 1.00 1.83 C ATOM 0 H ILE A 117 13.428 1.064 -8.721 1.00 0.01 H new ATOM 0 HA ILE A 117 13.041 0.832 -11.552 1.00 0.01 H new ATOM 0 HB ILE A 117 12.915 3.094 -9.517 1.00 0.57 H new ATOM 0 HG12 ILE A 117 10.720 1.717 -11.145 1.00 1.44 H new ATOM 0 HG13 ILE A 117 11.225 1.132 -9.572 1.00 1.44 H new ATOM 0 HG21 ILE A 117 11.797 4.454 -11.249 1.00 0.93 H new ATOM 0 HG22 ILE A 117 13.473 4.075 -11.710 1.00 0.93 H new ATOM 0 HG23 ILE A 117 12.123 3.188 -12.456 1.00 0.93 H new ATOM 0 HD11 ILE A 117 9.280 2.649 -9.359 1.00 1.83 H new ATOM 0 HD12 ILE A 117 10.711 3.351 -8.566 1.00 1.83 H new ATOM 0 HD13 ILE A 117 10.197 3.945 -10.163 1.00 1.83 H new ATOM 1813 N MET A 118 15.716 2.488 -10.619 1.00 0.02 N ATOM 1814 CA MET A 118 16.954 3.067 -11.206 1.00 0.01 C ATOM 1815 C MET A 118 17.750 1.979 -11.922 1.00 0.01 C ATOM 1816 O MET A 118 18.332 2.213 -12.956 1.00 0.02 O ATOM 1817 CB MET A 118 17.814 3.709 -10.115 1.00 0.24 C ATOM 1818 CG MET A 118 18.953 4.502 -10.762 1.00 0.63 C ATOM 1819 SD MET A 118 20.088 5.078 -9.475 1.00 1.20 S ATOM 1820 CE MET A 118 19.168 6.565 -9.011 1.00 1.34 C ATOM 0 H MET A 118 15.671 2.479 -9.600 1.00 0.02 H new ATOM 0 HA MET A 118 16.671 3.836 -11.925 1.00 0.01 H new ATOM 0 HB2 MET A 118 17.204 4.367 -9.497 1.00 0.24 H new ATOM 0 HB3 MET A 118 18.220 2.940 -9.458 1.00 0.24 H new ATOM 0 HG2 MET A 118 19.485 3.877 -11.479 1.00 0.63 H new ATOM 0 HG3 MET A 118 18.552 5.351 -11.316 1.00 0.63 H new ATOM 0 HE1 MET A 118 19.725 7.115 -8.252 1.00 1.34 H new ATOM 0 HE2 MET A 118 19.030 7.196 -9.889 1.00 1.34 H new ATOM 0 HE3 MET A 118 18.194 6.281 -8.612 1.00 1.34 H new ATOM 1830 N GLU A 119 17.785 0.791 -11.400 1.00 0.01 N ATOM 1831 CA GLU A 119 18.556 -0.278 -12.085 1.00 0.02 C ATOM 1832 C GLU A 119 17.848 -0.678 -13.382 1.00 0.02 C ATOM 1833 O GLU A 119 18.478 -0.977 -14.376 1.00 0.01 O ATOM 1834 CB GLU A 119 18.660 -1.495 -11.159 1.00 0.30 C ATOM 1835 CG GLU A 119 19.463 -2.612 -11.842 1.00 0.99 C ATOM 1836 CD GLU A 119 18.559 -3.391 -12.804 1.00 1.69 C ATOM 1837 OE1 GLU A 119 17.619 -4.009 -12.331 1.00 2.07 O ATOM 1838 OE2 GLU A 119 18.821 -3.354 -13.994 1.00 2.11 O ATOM 0 H GLU A 119 17.318 0.514 -10.537 1.00 0.01 H new ATOM 0 HA GLU A 119 19.554 0.089 -12.323 1.00 0.02 H new ATOM 0 HB2 GLU A 119 19.142 -1.210 -10.224 1.00 0.30 H new ATOM 0 HB3 GLU A 119 17.663 -1.856 -10.907 1.00 0.30 H new ATOM 0 HG2 GLU A 119 20.306 -2.185 -12.386 1.00 0.99 H new ATOM 0 HG3 GLU A 119 19.876 -3.286 -11.091 1.00 0.99 H new ATOM 1845 N GLN A 120 16.545 -0.741 -13.363 1.00 0.00 N ATOM 1846 CA GLN A 120 15.800 -1.189 -14.577 1.00 0.01 C ATOM 1847 C GLN A 120 15.637 -0.070 -15.610 1.00 0.01 C ATOM 1848 O GLN A 120 15.805 -0.288 -16.795 1.00 0.01 O ATOM 1849 CB GLN A 120 14.415 -1.679 -14.156 1.00 0.52 C ATOM 1850 CG GLN A 120 13.647 -2.157 -15.389 1.00 1.07 C ATOM 1851 CD GLN A 120 12.426 -2.966 -14.947 1.00 1.08 C ATOM 1852 OE1 GLN A 120 11.932 -3.796 -15.684 1.00 0.98 O ATOM 1853 NE2 GLN A 120 11.916 -2.758 -13.763 1.00 2.08 N ATOM 0 H GLN A 120 15.963 -0.502 -12.560 1.00 0.00 H new ATOM 0 HA GLN A 120 16.378 -1.987 -15.043 1.00 0.01 H new ATOM 0 HB2 GLN A 120 14.508 -2.491 -13.435 1.00 0.52 H new ATOM 0 HB3 GLN A 120 13.868 -0.876 -13.662 1.00 0.52 H new ATOM 0 HG2 GLN A 120 13.333 -1.303 -15.989 1.00 1.07 H new ATOM 0 HG3 GLN A 120 14.293 -2.768 -16.019 1.00 1.07 H new ATOM 0 HE21 GLN A 120 12.331 -2.061 -13.144 1.00 2.08 H new ATOM 0 HE22 GLN A 120 11.103 -3.292 -13.457 1.00 2.08 H new ATOM 1862 N PHE A 121 15.233 1.102 -15.182 1.00 0.02 N ATOM 1863 CA PHE A 121 14.965 2.218 -16.153 1.00 0.01 C ATOM 1864 C PHE A 121 15.981 3.355 -16.040 1.00 0.01 C ATOM 1865 O PHE A 121 15.913 4.323 -16.771 1.00 0.01 O ATOM 1866 CB PHE A 121 13.562 2.759 -15.881 1.00 0.01 C ATOM 1867 CG PHE A 121 12.566 1.633 -16.028 1.00 0.01 C ATOM 1868 CD1 PHE A 121 12.161 1.219 -17.302 1.00 0.01 C ATOM 1869 CD2 PHE A 121 12.050 0.999 -14.890 1.00 0.01 C ATOM 1870 CE1 PHE A 121 11.242 0.171 -17.439 1.00 0.01 C ATOM 1871 CE2 PHE A 121 11.132 -0.049 -15.029 1.00 0.01 C ATOM 1872 CZ PHE A 121 10.729 -0.462 -16.303 1.00 0.01 C ATOM 0 H PHE A 121 15.076 1.337 -14.202 1.00 0.02 H new ATOM 0 HA PHE A 121 15.050 1.818 -17.163 1.00 0.01 H new ATOM 0 HB2 PHE A 121 13.509 3.181 -14.877 1.00 0.01 H new ATOM 0 HB3 PHE A 121 13.327 3.564 -16.578 1.00 0.01 H new ATOM 0 HD1 PHE A 121 12.557 1.708 -18.180 1.00 0.01 H new ATOM 0 HD2 PHE A 121 12.360 1.319 -13.906 1.00 0.01 H new ATOM 0 HE1 PHE A 121 10.930 -0.148 -18.422 1.00 0.01 H new ATOM 0 HE2 PHE A 121 10.735 -0.539 -14.152 1.00 0.01 H new ATOM 0 HZ PHE A 121 10.021 -1.271 -16.409 1.00 0.01 H new ATOM 1882 N HIS A 122 16.920 3.264 -15.140 1.00 0.01 N ATOM 1883 CA HIS A 122 17.923 4.356 -14.999 1.00 0.01 C ATOM 1884 C HIS A 122 17.217 5.663 -14.621 1.00 0.01 C ATOM 1885 O HIS A 122 17.630 6.735 -15.016 1.00 0.02 O ATOM 1886 CB HIS A 122 18.681 4.517 -16.322 1.00 0.01 C ATOM 1887 CG HIS A 122 18.917 3.160 -16.926 1.00 0.01 C ATOM 1888 ND1 HIS A 122 18.818 2.930 -18.289 1.00 0.01 N ATOM 1889 CD2 HIS A 122 19.246 1.952 -16.365 1.00 0.01 C ATOM 1890 CE1 HIS A 122 19.084 1.628 -18.501 1.00 0.00 C ATOM 1891 NE2 HIS A 122 19.351 0.985 -17.360 1.00 0.01 N ATOM 0 H HIS A 122 17.036 2.481 -14.496 1.00 0.01 H new ATOM 0 HA HIS A 122 18.633 4.107 -14.210 1.00 0.01 H new ATOM 0 HB2 HIS A 122 18.108 5.139 -17.009 1.00 0.01 H new ATOM 0 HB3 HIS A 122 19.632 5.022 -16.151 1.00 0.01 H new ATOM 0 HD2 HIS A 122 19.400 1.778 -15.310 1.00 0.01 H new ATOM 0 HE1 HIS A 122 19.082 1.160 -19.474 1.00 0.00 H new ATOM 0 HE2 HIS A 122 19.582 -0.002 -17.244 1.00 0.01 H new ATOM 1899 N LEU A 123 16.154 5.578 -13.848 1.00 0.01 N ATOM 1900 CA LEU A 123 15.410 6.816 -13.425 1.00 0.01 C ATOM 1901 C LEU A 123 15.548 6.997 -11.910 1.00 0.02 C ATOM 1902 O LEU A 123 15.435 6.055 -11.149 1.00 0.01 O ATOM 1903 CB LEU A 123 13.929 6.677 -13.788 1.00 0.01 C ATOM 1904 CG LEU A 123 13.791 6.233 -15.246 1.00 0.01 C ATOM 1905 CD1 LEU A 123 12.308 6.044 -15.581 1.00 0.01 C ATOM 1906 CD2 LEU A 123 14.398 7.296 -16.172 1.00 0.01 C ATOM 0 H LEU A 123 15.769 4.703 -13.491 1.00 0.01 H new ATOM 0 HA LEU A 123 15.827 7.683 -13.938 1.00 0.01 H new ATOM 0 HB2 LEU A 123 13.451 5.951 -13.131 1.00 0.01 H new ATOM 0 HB3 LEU A 123 13.418 7.628 -13.638 1.00 0.01 H new ATOM 0 HG LEU A 123 14.320 5.291 -15.389 1.00 0.01 H new ATOM 0 HD11 LEU A 123 12.207 5.728 -16.619 1.00 0.01 H new ATOM 0 HD12 LEU A 123 11.881 5.284 -14.927 1.00 0.01 H new ATOM 0 HD13 LEU A 123 11.779 6.986 -15.436 1.00 0.01 H new ATOM 0 HD21 LEU A 123 14.297 6.975 -17.209 1.00 0.01 H new ATOM 0 HD22 LEU A 123 13.875 8.242 -16.032 1.00 0.01 H new ATOM 0 HD23 LEU A 123 15.454 7.427 -15.933 1.00 0.01 H new ATOM 1918 N ARG A 124 15.807 8.200 -11.465 1.00 0.01 N ATOM 1919 CA ARG A 124 15.972 8.447 -9.999 1.00 0.00 C ATOM 1920 C ARG A 124 14.628 8.805 -9.354 1.00 0.01 C ATOM 1921 O ARG A 124 14.455 8.678 -8.157 1.00 0.01 O ATOM 1922 CB ARG A 124 16.955 9.606 -9.779 1.00 1.67 C ATOM 1923 CG ARG A 124 16.586 10.794 -10.690 1.00 1.98 C ATOM 1924 CD ARG A 124 17.140 10.601 -12.122 1.00 2.92 C ATOM 1925 NE ARG A 124 16.024 10.757 -13.097 1.00 3.54 N ATOM 1926 CZ ARG A 124 16.284 10.931 -14.364 1.00 4.57 C ATOM 1927 NH1 ARG A 124 17.520 10.960 -14.781 1.00 5.25 N ATOM 1928 NH2 ARG A 124 15.306 11.072 -15.216 1.00 5.32 N ATOM 0 H ARG A 124 15.912 9.025 -12.055 1.00 0.01 H new ATOM 0 HA ARG A 124 16.356 7.536 -9.539 1.00 0.00 H new ATOM 0 HB2 ARG A 124 16.934 9.918 -8.735 1.00 1.67 H new ATOM 0 HB3 ARG A 124 17.972 9.276 -9.992 1.00 1.67 H new ATOM 0 HG2 ARG A 124 15.502 10.901 -10.729 1.00 1.98 H new ATOM 0 HG3 ARG A 124 16.983 11.716 -10.266 1.00 1.98 H new ATOM 0 HD2 ARG A 124 17.923 11.332 -12.325 1.00 2.92 H new ATOM 0 HD3 ARG A 124 17.592 9.614 -12.221 1.00 2.92 H new ATOM 0 HE ARG A 124 15.057 10.728 -12.774 1.00 3.54 H new ATOM 0 HH11 ARG A 124 18.285 10.847 -14.116 1.00 5.25 H new ATOM 0 HH12 ARG A 124 17.721 11.096 -15.772 1.00 5.25 H new ATOM 0 HH21 ARG A 124 14.339 11.046 -14.892 1.00 5.32 H new ATOM 0 HH22 ARG A 124 15.508 11.208 -16.206 1.00 5.32 H new ATOM 1942 N GLU A 125 13.680 9.275 -10.125 1.00 0.01 N ATOM 1943 CA GLU A 125 12.357 9.665 -9.543 1.00 0.01 C ATOM 1944 C GLU A 125 11.246 9.428 -10.568 1.00 0.01 C ATOM 1945 O GLU A 125 11.502 9.278 -11.746 1.00 0.01 O ATOM 1946 CB GLU A 125 12.381 11.151 -9.185 1.00 0.01 C ATOM 1947 CG GLU A 125 13.426 11.401 -8.097 1.00 0.01 C ATOM 1948 CD GLU A 125 13.226 12.799 -7.512 1.00 0.02 C ATOM 1949 OE1 GLU A 125 13.335 13.754 -8.262 1.00 0.01 O ATOM 1950 OE2 GLU A 125 12.965 12.891 -6.323 1.00 0.02 O ATOM 0 H GLU A 125 13.764 9.406 -11.133 1.00 0.01 H new ATOM 0 HA GLU A 125 12.170 9.064 -8.653 1.00 0.01 H new ATOM 0 HB2 GLU A 125 12.613 11.744 -10.069 1.00 0.01 H new ATOM 0 HB3 GLU A 125 11.397 11.468 -8.838 1.00 0.01 H new ATOM 0 HG2 GLU A 125 13.336 10.650 -7.312 1.00 0.01 H new ATOM 0 HG3 GLU A 125 14.429 11.309 -8.513 1.00 0.01 H new ATOM 1957 N ILE A 126 10.010 9.419 -10.130 1.00 0.01 N ATOM 1958 CA ILE A 126 8.860 9.223 -11.072 1.00 0.01 C ATOM 1959 C ILE A 126 7.853 10.346 -10.814 1.00 0.01 C ATOM 1960 O ILE A 126 7.441 10.559 -9.691 1.00 0.01 O ATOM 1961 CB ILE A 126 8.188 7.875 -10.787 1.00 1.33 C ATOM 1962 CG1 ILE A 126 9.218 6.729 -10.916 1.00 1.49 C ATOM 1963 CG2 ILE A 126 7.029 7.665 -11.767 1.00 2.17 C ATOM 1964 CD1 ILE A 126 9.414 6.311 -12.384 1.00 1.70 C ATOM 0 H ILE A 126 9.745 9.540 -9.152 1.00 0.01 H new ATOM 0 HA ILE A 126 9.206 9.239 -12.105 1.00 0.01 H new ATOM 0 HB ILE A 126 7.798 7.874 -9.769 1.00 1.33 H new ATOM 0 HG12 ILE A 126 10.172 7.047 -10.496 1.00 1.49 H new ATOM 0 HG13 ILE A 126 8.884 5.870 -10.333 1.00 1.49 H new ATOM 0 HG21 ILE A 126 6.551 6.707 -11.565 1.00 2.17 H new ATOM 0 HG22 ILE A 126 6.301 8.467 -11.646 1.00 2.17 H new ATOM 0 HG23 ILE A 126 7.410 7.672 -12.788 1.00 2.17 H new ATOM 0 HD11 ILE A 126 10.144 5.504 -12.438 1.00 1.70 H new ATOM 0 HD12 ILE A 126 8.464 5.969 -12.795 1.00 1.70 H new ATOM 0 HD13 ILE A 126 9.773 7.164 -12.960 1.00 1.70 H new ATOM 1976 N HIS A 127 7.491 11.099 -11.830 1.00 0.01 N ATOM 1977 CA HIS A 127 6.550 12.252 -11.617 1.00 0.01 C ATOM 1978 C HIS A 127 5.169 12.007 -12.232 1.00 0.01 C ATOM 1979 O HIS A 127 4.216 12.691 -11.917 1.00 0.01 O ATOM 1980 CB HIS A 127 7.162 13.515 -12.229 1.00 0.02 C ATOM 1981 CG HIS A 127 8.639 13.540 -11.945 1.00 0.01 C ATOM 1982 ND1 HIS A 127 9.509 12.595 -12.466 1.00 0.01 N ATOM 1983 CD2 HIS A 127 9.413 14.387 -11.193 1.00 0.01 C ATOM 1984 CE1 HIS A 127 10.744 12.894 -12.024 1.00 0.01 C ATOM 1985 NE2 HIS A 127 10.743 13.978 -11.243 1.00 0.02 N ATOM 0 H HIS A 127 7.804 10.967 -12.792 1.00 0.01 H new ATOM 0 HA HIS A 127 6.409 12.368 -10.542 1.00 0.01 H new ATOM 0 HB2 HIS A 127 6.987 13.533 -13.305 1.00 0.02 H new ATOM 0 HB3 HIS A 127 6.685 14.402 -11.813 1.00 0.02 H new ATOM 0 HD2 HIS A 127 9.046 15.242 -10.645 1.00 0.01 H new ATOM 0 HE1 HIS A 127 11.629 12.326 -12.271 1.00 0.01 H new ATOM 0 HE2 HIS A 127 11.543 14.412 -10.783 1.00 0.02 H new ATOM 1993 N SER A 128 5.036 11.027 -13.083 1.00 0.01 N ATOM 1994 CA SER A 128 3.702 10.735 -13.681 1.00 0.01 C ATOM 1995 C SER A 128 3.699 9.297 -14.201 1.00 0.01 C ATOM 1996 O SER A 128 4.729 8.755 -14.562 1.00 0.01 O ATOM 1997 CB SER A 128 3.436 11.703 -14.838 1.00 0.01 C ATOM 1998 OG SER A 128 3.039 12.963 -14.311 1.00 0.01 O ATOM 0 H SER A 128 5.793 10.416 -13.390 1.00 0.01 H new ATOM 0 HA SER A 128 2.923 10.857 -12.929 1.00 0.01 H new ATOM 0 HB2 SER A 128 4.333 11.816 -15.447 1.00 0.01 H new ATOM 0 HB3 SER A 128 2.657 11.306 -15.489 1.00 0.01 H new ATOM 0 HG SER A 128 3.171 12.968 -13.340 1.00 0.01 H new ATOM 2004 N CYS A 129 2.557 8.669 -14.228 1.00 0.01 N ATOM 2005 CA CYS A 129 2.486 7.263 -14.707 1.00 0.01 C ATOM 2006 C CYS A 129 1.018 6.860 -14.832 1.00 0.00 C ATOM 2007 O CYS A 129 0.186 7.309 -14.068 1.00 0.01 O ATOM 2008 CB CYS A 129 3.191 6.345 -13.703 1.00 0.69 C ATOM 2009 SG CYS A 129 2.743 4.621 -14.028 1.00 1.22 S ATOM 0 H CYS A 129 1.666 9.072 -13.937 1.00 0.01 H new ATOM 0 HA CYS A 129 2.977 7.174 -15.676 1.00 0.01 H new ATOM 0 HB2 CYS A 129 4.271 6.470 -13.778 1.00 0.69 H new ATOM 0 HB3 CYS A 129 2.909 6.618 -12.686 1.00 0.69 H new ATOM 0 HG CYS A 129 2.753 4.404 -15.310 1.00 1.22 H new ATOM 2015 N LYS A 130 0.687 6.010 -15.780 1.00 0.01 N ATOM 2016 CA LYS A 130 -0.737 5.572 -15.937 1.00 0.01 C ATOM 2017 C LYS A 130 -0.816 4.064 -15.697 1.00 0.01 C ATOM 2018 O LYS A 130 -0.375 3.251 -16.490 1.00 0.01 O ATOM 2019 CB LYS A 130 -1.244 5.906 -17.352 1.00 0.55 C ATOM 2020 CG LYS A 130 -0.595 7.200 -17.843 1.00 0.80 C ATOM 2021 CD LYS A 130 -1.246 7.623 -19.164 1.00 0.29 C ATOM 2022 CE LYS A 130 -0.703 8.986 -19.596 1.00 0.33 C ATOM 2023 NZ LYS A 130 -0.979 9.195 -21.045 1.00 1.41 N ATOM 0 H LYS A 130 1.341 5.603 -16.449 1.00 0.01 H new ATOM 0 HA LYS A 130 -1.363 6.096 -15.215 1.00 0.01 H new ATOM 0 HB2 LYS A 130 -1.009 5.089 -18.034 1.00 0.55 H new ATOM 0 HB3 LYS A 130 -2.329 6.013 -17.344 1.00 0.55 H new ATOM 0 HG2 LYS A 130 -0.714 7.986 -17.097 1.00 0.80 H new ATOM 0 HG3 LYS A 130 0.476 7.053 -17.983 1.00 0.80 H new ATOM 0 HD2 LYS A 130 -1.043 6.879 -19.935 1.00 0.29 H new ATOM 0 HD3 LYS A 130 -2.329 7.673 -19.047 1.00 0.29 H new ATOM 0 HE2 LYS A 130 -1.168 9.777 -19.009 1.00 0.33 H new ATOM 0 HE3 LYS A 130 0.369 9.038 -19.408 1.00 0.33 H new ATOM 0 HZ1 LYS A 130 -0.610 10.122 -21.339 1.00 1.41 H new ATOM 0 HZ2 LYS A 130 -0.515 8.446 -21.598 1.00 1.41 H new ATOM 0 HZ3 LYS A 130 -2.005 9.163 -21.211 1.00 1.41 H new ATOM 2037 N VAL A 131 -1.380 3.709 -14.581 1.00 0.01 N ATOM 2038 CA VAL A 131 -1.545 2.284 -14.185 1.00 0.01 C ATOM 2039 C VAL A 131 -3.040 1.970 -14.221 1.00 0.01 C ATOM 2040 O VAL A 131 -3.823 2.676 -13.615 1.00 0.01 O ATOM 2041 CB VAL A 131 -0.995 2.098 -12.766 1.00 0.01 C ATOM 2042 CG1 VAL A 131 -1.857 2.873 -11.764 1.00 0.01 C ATOM 2043 CG2 VAL A 131 -1.000 0.614 -12.404 1.00 0.01 C ATOM 0 H VAL A 131 -1.748 4.374 -13.900 1.00 0.01 H new ATOM 0 HA VAL A 131 -1.007 1.617 -14.858 1.00 0.01 H new ATOM 0 HB VAL A 131 0.026 2.478 -12.728 1.00 0.01 H new ATOM 0 HG11 VAL A 131 -1.459 2.735 -10.759 1.00 0.01 H new ATOM 0 HG12 VAL A 131 -1.845 3.933 -12.017 1.00 0.01 H new ATOM 0 HG13 VAL A 131 -2.881 2.503 -11.803 1.00 0.01 H new ATOM 0 HG21 VAL A 131 -0.609 0.484 -11.395 1.00 0.01 H new ATOM 0 HG22 VAL A 131 -2.020 0.232 -12.450 1.00 0.01 H new ATOM 0 HG23 VAL A 131 -0.375 0.065 -13.109 1.00 0.01 H new ATOM 2105 N TRP A 136 -2.031 -2.386 -7.656 1.00 0.01 N ATOM 2106 CA TRP A 136 -0.587 -1.973 -7.786 1.00 0.01 C ATOM 2107 C TRP A 136 -0.146 -1.212 -6.534 1.00 0.01 C ATOM 2108 O TRP A 136 -0.831 -0.328 -6.053 1.00 0.00 O ATOM 2109 CB TRP A 136 -0.406 -1.073 -9.019 1.00 0.01 C ATOM 2110 CG TRP A 136 -0.332 -1.906 -10.260 1.00 0.01 C ATOM 2111 CD1 TRP A 136 -1.319 -2.019 -11.173 1.00 0.01 C ATOM 2112 CD2 TRP A 136 0.768 -2.732 -10.740 1.00 0.01 C ATOM 2113 NE1 TRP A 136 -0.898 -2.860 -12.187 1.00 0.00 N ATOM 2114 CE2 TRP A 136 0.381 -3.328 -11.964 1.00 0.01 C ATOM 2115 CE3 TRP A 136 2.050 -3.022 -10.238 1.00 0.01 C ATOM 2116 CZ2 TRP A 136 1.235 -4.179 -12.666 1.00 0.01 C ATOM 2117 CZ3 TRP A 136 2.913 -3.877 -10.942 1.00 0.01 C ATOM 2118 CH2 TRP A 136 2.506 -4.455 -12.154 1.00 0.01 C ATOM 0 HA TRP A 136 0.024 -2.869 -7.899 1.00 0.01 H new ATOM 0 HB2 TRP A 136 -1.237 -0.372 -9.092 1.00 0.01 H new ATOM 0 HB3 TRP A 136 0.503 -0.480 -8.915 1.00 0.01 H new ATOM 0 HD1 TRP A 136 -2.281 -1.532 -11.120 1.00 0.01 H new ATOM 0 HE1 TRP A 136 -1.463 -3.104 -13.000 1.00 0.00 H new ATOM 0 HE3 TRP A 136 2.372 -2.584 -9.305 1.00 0.01 H new ATOM 0 HZ2 TRP A 136 0.916 -4.621 -13.598 1.00 0.01 H new ATOM 0 HZ3 TRP A 136 3.896 -4.091 -10.548 1.00 0.01 H new ATOM 0 HH2 TRP A 136 3.174 -5.112 -12.691 1.00 0.01 H new ATOM 2129 N ILE A 137 1.015 -1.545 -6.019 1.00 0.01 N ATOM 2130 CA ILE A 137 1.557 -0.847 -4.811 1.00 0.00 C ATOM 2131 C ILE A 137 2.893 -0.206 -5.186 1.00 0.01 C ATOM 2132 O ILE A 137 3.716 -0.807 -5.845 1.00 0.01 O ATOM 2133 CB ILE A 137 1.810 -1.859 -3.688 1.00 0.60 C ATOM 2134 CG1 ILE A 137 0.579 -2.738 -3.471 1.00 1.32 C ATOM 2135 CG2 ILE A 137 2.120 -1.106 -2.394 1.00 1.37 C ATOM 2136 CD1 ILE A 137 0.963 -3.905 -2.559 1.00 1.69 C ATOM 0 H ILE A 137 1.617 -2.280 -6.390 1.00 0.01 H new ATOM 0 HA ILE A 137 0.841 -0.099 -4.473 1.00 0.00 H new ATOM 0 HB ILE A 137 2.652 -2.492 -3.968 1.00 0.60 H new ATOM 0 HG12 ILE A 137 -0.226 -2.156 -3.022 1.00 1.32 H new ATOM 0 HG13 ILE A 137 0.208 -3.111 -4.426 1.00 1.32 H new ATOM 0 HG21 ILE A 137 2.301 -1.821 -1.591 1.00 1.37 H new ATOM 0 HG22 ILE A 137 3.007 -0.488 -2.536 1.00 1.37 H new ATOM 0 HG23 ILE A 137 1.274 -0.471 -2.131 1.00 1.37 H new ATOM 0 HD11 ILE A 137 0.093 -4.541 -2.396 1.00 1.69 H new ATOM 0 HD12 ILE A 137 1.755 -4.488 -3.028 1.00 1.69 H new ATOM 0 HD13 ILE A 137 1.315 -3.519 -1.602 1.00 1.69 H new ATOM 2148 N PHE A 138 3.119 1.001 -4.742 1.00 0.01 N ATOM 2149 CA PHE A 138 4.407 1.710 -5.028 1.00 0.01 C ATOM 2150 C PHE A 138 5.174 1.806 -3.703 1.00 0.01 C ATOM 2151 O PHE A 138 4.582 2.037 -2.672 1.00 0.00 O ATOM 2152 CB PHE A 138 4.097 3.127 -5.555 1.00 1.11 C ATOM 2153 CG PHE A 138 3.996 3.159 -7.072 1.00 1.11 C ATOM 2154 CD1 PHE A 138 3.573 2.038 -7.807 1.00 1.54 C ATOM 2155 CD2 PHE A 138 4.326 4.340 -7.743 1.00 1.46 C ATOM 2156 CE1 PHE A 138 3.489 2.109 -9.203 1.00 2.35 C ATOM 2157 CE2 PHE A 138 4.241 4.408 -9.136 1.00 2.01 C ATOM 2158 CZ PHE A 138 3.824 3.294 -9.867 1.00 2.49 C ATOM 0 H PHE A 138 2.456 1.538 -4.183 1.00 0.01 H new ATOM 0 HA PHE A 138 4.995 1.178 -5.776 1.00 0.01 H new ATOM 0 HB2 PHE A 138 3.161 3.479 -5.121 1.00 1.11 H new ATOM 0 HB3 PHE A 138 4.877 3.814 -5.229 1.00 1.11 H new ATOM 0 HD1 PHE A 138 3.313 1.123 -7.296 1.00 1.54 H new ATOM 0 HD2 PHE A 138 4.648 5.205 -7.182 1.00 1.46 H new ATOM 0 HE1 PHE A 138 3.165 1.248 -9.768 1.00 2.35 H new ATOM 0 HE2 PHE A 138 4.498 5.324 -9.648 1.00 2.01 H new ATOM 0 HZ PHE A 138 3.760 3.347 -10.944 1.00 2.49 H new ATOM 2168 N TYR A 139 6.478 1.644 -3.719 1.00 0.01 N ATOM 2169 CA TYR A 139 7.281 1.739 -2.452 1.00 0.01 C ATOM 2170 C TYR A 139 8.339 2.837 -2.603 1.00 0.01 C ATOM 2171 O TYR A 139 8.891 3.042 -3.671 1.00 0.01 O ATOM 2172 CB TYR A 139 7.981 0.399 -2.187 1.00 0.01 C ATOM 2173 CG TYR A 139 7.019 -0.583 -1.554 1.00 0.01 C ATOM 2174 CD1 TYR A 139 5.993 -1.149 -2.319 1.00 0.01 C ATOM 2175 CD2 TYR A 139 7.169 -0.945 -0.208 1.00 0.01 C ATOM 2176 CE1 TYR A 139 5.118 -2.075 -1.739 1.00 0.01 C ATOM 2177 CE2 TYR A 139 6.292 -1.867 0.372 1.00 0.02 C ATOM 2178 CZ TYR A 139 5.266 -2.433 -0.394 1.00 0.02 C ATOM 2179 OH TYR A 139 4.402 -3.347 0.176 1.00 0.00 O ATOM 0 H TYR A 139 7.024 1.449 -4.558 1.00 0.01 H new ATOM 0 HA TYR A 139 6.618 1.977 -1.620 1.00 0.01 H new ATOM 0 HB2 TYR A 139 8.365 -0.009 -3.122 1.00 0.01 H new ATOM 0 HB3 TYR A 139 8.838 0.553 -1.531 1.00 0.01 H new ATOM 0 HD1 TYR A 139 5.876 -0.872 -3.356 1.00 0.01 H new ATOM 0 HD2 TYR A 139 7.963 -0.511 0.382 1.00 0.01 H new ATOM 0 HE1 TYR A 139 4.328 -2.514 -2.330 1.00 0.01 H new ATOM 0 HE2 TYR A 139 6.406 -2.142 1.410 1.00 0.02 H new ATOM 0 HH TYR A 139 3.643 -2.874 0.577 1.00 0.00 H new ATOM 2189 N GLU A 140 8.590 3.572 -1.548 1.00 0.01 N ATOM 2190 CA GLU A 140 9.562 4.702 -1.616 1.00 0.02 C ATOM 2191 C GLU A 140 11.008 4.198 -1.673 1.00 0.01 C ATOM 2192 O GLU A 140 11.857 4.854 -2.244 1.00 0.01 O ATOM 2193 CB GLU A 140 9.380 5.547 -0.354 1.00 0.01 C ATOM 2194 CG GLU A 140 10.186 6.841 -0.481 1.00 0.02 C ATOM 2195 CD GLU A 140 9.806 7.791 0.655 1.00 0.02 C ATOM 2196 OE1 GLU A 140 9.683 7.324 1.775 1.00 0.01 O ATOM 2197 OE2 GLU A 140 9.644 8.969 0.386 1.00 0.02 O ATOM 0 H GLU A 140 8.158 3.434 -0.634 1.00 0.01 H new ATOM 0 HA GLU A 140 9.374 5.281 -2.520 1.00 0.02 H new ATOM 0 HB2 GLU A 140 8.325 5.777 -0.208 1.00 0.01 H new ATOM 0 HB3 GLU A 140 9.709 4.987 0.521 1.00 0.01 H new ATOM 0 HG2 GLU A 140 11.253 6.622 -0.445 1.00 0.02 H new ATOM 0 HG3 GLU A 140 9.989 7.312 -1.444 1.00 0.02 H new ATOM 2204 N LEU A 141 11.316 3.060 -1.088 1.00 0.01 N ATOM 2205 CA LEU A 141 12.732 2.552 -1.118 1.00 0.02 C ATOM 2206 C LEU A 141 12.769 1.225 -1.903 1.00 0.01 C ATOM 2207 O LEU A 141 11.773 0.528 -1.987 1.00 0.01 O ATOM 2208 CB LEU A 141 13.191 2.309 0.336 1.00 0.57 C ATOM 2209 CG LEU A 141 13.721 3.620 0.957 1.00 0.81 C ATOM 2210 CD1 LEU A 141 13.642 3.537 2.484 1.00 1.48 C ATOM 2211 CD2 LEU A 141 15.183 3.857 0.548 1.00 1.24 C ATOM 0 H LEU A 141 10.653 2.463 -0.593 1.00 0.01 H new ATOM 0 HA LEU A 141 13.391 3.275 -1.599 1.00 0.02 H new ATOM 0 HB2 LEU A 141 12.359 1.928 0.928 1.00 0.57 H new ATOM 0 HB3 LEU A 141 13.971 1.548 0.356 1.00 0.57 H new ATOM 0 HG LEU A 141 13.108 4.445 0.595 1.00 0.81 H new ATOM 0 HD11 LEU A 141 14.017 4.464 2.919 1.00 1.48 H new ATOM 0 HD12 LEU A 141 12.606 3.387 2.787 1.00 1.48 H new ATOM 0 HD13 LEU A 141 14.247 2.701 2.835 1.00 1.48 H new ATOM 0 HD21 LEU A 141 15.540 4.785 0.995 1.00 1.24 H new ATOM 0 HD22 LEU A 141 15.797 3.027 0.896 1.00 1.24 H new ATOM 0 HD23 LEU A 141 15.250 3.927 -0.538 1.00 1.24 H new ATOM 2223 N PRO A 142 13.905 0.869 -2.478 1.00 0.01 N ATOM 2224 CA PRO A 142 14.011 -0.398 -3.258 1.00 0.01 C ATOM 2225 C PRO A 142 13.608 -1.637 -2.448 1.00 0.01 C ATOM 2226 O PRO A 142 13.491 -1.616 -1.239 1.00 0.01 O ATOM 2227 CB PRO A 142 15.508 -0.440 -3.644 1.00 0.01 C ATOM 2228 CG PRO A 142 16.222 0.729 -2.942 1.00 0.02 C ATOM 2229 CD PRO A 142 15.152 1.690 -2.401 1.00 0.01 C ATOM 0 HA PRO A 142 13.335 -0.414 -4.113 1.00 0.01 H new ATOM 0 HB2 PRO A 142 15.951 -1.390 -3.344 1.00 0.01 H new ATOM 0 HB3 PRO A 142 15.624 -0.361 -4.725 1.00 0.01 H new ATOM 0 HG2 PRO A 142 16.847 0.360 -2.129 1.00 0.02 H new ATOM 0 HG3 PRO A 142 16.880 1.247 -3.640 1.00 0.02 H new ATOM 0 HD2 PRO A 142 15.368 2.003 -1.380 1.00 0.01 H new ATOM 0 HD3 PRO A 142 15.079 2.595 -3.004 1.00 0.01 H new ATOM 2237 N ASN A 143 13.427 -2.721 -3.149 1.00 0.01 N ATOM 2238 CA ASN A 143 13.063 -4.014 -2.506 1.00 0.01 C ATOM 2239 C ASN A 143 11.738 -3.906 -1.748 1.00 0.01 C ATOM 2240 O ASN A 143 11.512 -4.583 -0.765 1.00 0.01 O ATOM 2241 CB ASN A 143 14.171 -4.416 -1.530 1.00 0.23 C ATOM 2242 CG ASN A 143 15.534 -4.178 -2.183 1.00 0.11 C ATOM 2243 OD1 ASN A 143 15.762 -4.583 -3.305 1.00 0.75 O ATOM 2244 ND2 ASN A 143 16.457 -3.533 -1.522 1.00 0.56 N ATOM 0 H ASN A 143 13.518 -2.765 -4.164 1.00 0.01 H new ATOM 0 HA ASN A 143 12.949 -4.766 -3.286 1.00 0.01 H new ATOM 0 HB2 ASN A 143 14.089 -3.836 -0.611 1.00 0.23 H new ATOM 0 HB3 ASN A 143 14.065 -5.465 -1.255 1.00 0.23 H new ATOM 0 HD21 ASN A 143 17.369 -3.369 -1.948 1.00 0.56 H new ATOM 0 HD22 ASN A 143 16.266 -3.193 -0.580 1.00 0.56 H new ATOM 2251 N TYR A 144 10.849 -3.079 -2.226 1.00 0.01 N ATOM 2252 CA TYR A 144 9.514 -2.934 -1.581 1.00 0.02 C ATOM 2253 C TYR A 144 9.655 -2.531 -0.107 1.00 0.01 C ATOM 2254 O TYR A 144 9.082 -3.154 0.766 1.00 0.01 O ATOM 2255 CB TYR A 144 8.754 -4.267 -1.686 1.00 0.01 C ATOM 2256 CG TYR A 144 9.125 -4.953 -2.985 1.00 0.01 C ATOM 2257 CD1 TYR A 144 9.002 -4.261 -4.197 1.00 0.01 C ATOM 2258 CD2 TYR A 144 9.600 -6.272 -2.978 1.00 0.01 C ATOM 2259 CE1 TYR A 144 9.353 -4.887 -5.400 1.00 0.01 C ATOM 2260 CE2 TYR A 144 9.951 -6.896 -4.182 1.00 0.01 C ATOM 2261 CZ TYR A 144 9.829 -6.204 -5.392 1.00 0.01 C ATOM 2262 OH TYR A 144 10.178 -6.822 -6.576 1.00 0.01 O ATOM 0 H TYR A 144 10.993 -2.490 -3.046 1.00 0.01 H new ATOM 0 HA TYR A 144 8.961 -2.148 -2.095 1.00 0.02 H new ATOM 0 HB2 TYR A 144 9.001 -4.908 -0.839 1.00 0.01 H new ATOM 0 HB3 TYR A 144 7.679 -4.090 -1.649 1.00 0.01 H new ATOM 0 HD1 TYR A 144 8.637 -3.245 -4.204 1.00 0.01 H new ATOM 0 HD2 TYR A 144 9.695 -6.807 -2.045 1.00 0.01 H new ATOM 0 HE1 TYR A 144 9.256 -4.354 -6.334 1.00 0.01 H new ATOM 0 HE2 TYR A 144 10.316 -7.912 -4.176 1.00 0.01 H new ATOM 0 HH TYR A 144 10.495 -6.150 -7.215 1.00 0.01 H new ATOM 2272 N ARG A 145 10.412 -1.495 0.173 1.00 0.02 N ATOM 2273 CA ARG A 145 10.594 -1.045 1.595 1.00 0.01 C ATOM 2274 C ARG A 145 10.274 0.449 1.717 1.00 0.01 C ATOM 2275 O ARG A 145 10.169 1.154 0.733 1.00 0.01 O ATOM 2276 CB ARG A 145 12.054 -1.288 2.021 1.00 0.01 C ATOM 2277 CG ARG A 145 12.261 -2.770 2.401 1.00 0.02 C ATOM 2278 CD ARG A 145 11.966 -2.985 3.897 1.00 0.01 C ATOM 2279 NE ARG A 145 10.953 -1.993 4.359 1.00 0.01 N ATOM 2280 CZ ARG A 145 10.324 -2.176 5.487 1.00 0.01 C ATOM 2281 NH1 ARG A 145 10.575 -3.231 6.210 1.00 0.02 N ATOM 2282 NH2 ARG A 145 9.442 -1.304 5.892 1.00 0.01 N ATOM 0 H ARG A 145 10.913 -0.940 -0.521 1.00 0.02 H new ATOM 0 HA ARG A 145 9.920 -1.610 2.239 1.00 0.01 H new ATOM 0 HB2 ARG A 145 12.727 -1.016 1.208 1.00 0.01 H new ATOM 0 HB3 ARG A 145 12.304 -0.650 2.869 1.00 0.01 H new ATOM 0 HG2 ARG A 145 11.606 -3.401 1.800 1.00 0.02 H new ATOM 0 HG3 ARG A 145 13.285 -3.070 2.179 1.00 0.02 H new ATOM 0 HD2 ARG A 145 11.599 -3.998 4.063 1.00 0.01 H new ATOM 0 HD3 ARG A 145 12.883 -2.879 4.477 1.00 0.01 H new ATOM 0 HE ARG A 145 10.752 -1.170 3.792 1.00 0.01 H new ATOM 0 HH11 ARG A 145 11.264 -3.914 5.894 1.00 0.02 H new ATOM 0 HH12 ARG A 145 10.083 -3.374 7.092 1.00 0.02 H new ATOM 0 HH21 ARG A 145 9.244 -0.479 5.326 1.00 0.01 H new ATOM 0 HH22 ARG A 145 8.951 -1.448 6.774 1.00 0.01 H new ATOM 2296 N GLY A 146 10.104 0.934 2.923 1.00 0.01 N ATOM 2297 CA GLY A 146 9.789 2.380 3.122 1.00 0.02 C ATOM 2298 C GLY A 146 8.275 2.605 3.068 1.00 0.01 C ATOM 2299 O GLY A 146 7.493 1.678 3.140 1.00 0.02 O ATOM 0 H GLY A 146 10.171 0.386 3.781 1.00 0.01 H new ATOM 0 HA2 GLY A 146 10.180 2.716 4.083 1.00 0.02 H new ATOM 0 HA3 GLY A 146 10.280 2.976 2.352 1.00 0.02 H new ATOM 2303 N ARG A 147 7.863 3.837 2.943 1.00 0.01 N ATOM 2304 CA ARG A 147 6.404 4.143 2.886 1.00 0.01 C ATOM 2305 C ARG A 147 5.837 3.606 1.576 1.00 0.01 C ATOM 2306 O ARG A 147 6.481 3.629 0.544 1.00 0.01 O ATOM 2307 CB ARG A 147 6.202 5.659 2.951 1.00 0.01 C ATOM 2308 CG ARG A 147 4.715 5.985 2.786 1.00 0.01 C ATOM 2309 CD ARG A 147 4.481 7.465 3.090 1.00 0.01 C ATOM 2310 NE ARG A 147 3.050 7.802 2.850 1.00 0.02 N ATOM 2311 CZ ARG A 147 2.557 8.917 3.315 1.00 0.02 C ATOM 2312 NH1 ARG A 147 3.320 9.736 3.987 1.00 0.01 N ATOM 2313 NH2 ARG A 147 1.302 9.216 3.108 1.00 0.02 N ATOM 0 H ARG A 147 8.477 4.649 2.878 1.00 0.01 H new ATOM 0 HA ARG A 147 5.892 3.675 3.727 1.00 0.01 H new ATOM 0 HB2 ARG A 147 6.566 6.044 3.903 1.00 0.01 H new ATOM 0 HB3 ARG A 147 6.781 6.147 2.167 1.00 0.01 H new ATOM 0 HG2 ARG A 147 4.392 5.756 1.770 1.00 0.01 H new ATOM 0 HG3 ARG A 147 4.119 5.366 3.457 1.00 0.01 H new ATOM 0 HD2 ARG A 147 4.748 7.681 4.124 1.00 0.01 H new ATOM 0 HD3 ARG A 147 5.121 8.082 2.460 1.00 0.01 H new ATOM 0 HE ARG A 147 2.456 7.162 2.323 1.00 0.02 H new ATOM 0 HH11 ARG A 147 4.300 9.504 4.148 1.00 0.01 H new ATOM 0 HH12 ARG A 147 2.936 10.608 4.351 1.00 0.01 H new ATOM 0 HH21 ARG A 147 0.706 8.577 2.582 1.00 0.02 H new ATOM 0 HH22 ARG A 147 0.919 10.088 3.472 1.00 0.02 H new ATOM 2327 N GLN A 148 4.640 3.076 1.634 1.00 0.01 N ATOM 2328 CA GLN A 148 4.000 2.474 0.427 1.00 0.01 C ATOM 2329 C GLN A 148 2.771 3.296 0.021 1.00 0.01 C ATOM 2330 O GLN A 148 2.097 3.873 0.850 1.00 0.01 O ATOM 2331 CB GLN A 148 3.545 1.047 0.794 1.00 0.00 C ATOM 2332 CG GLN A 148 4.533 0.412 1.778 1.00 0.02 C ATOM 2333 CD GLN A 148 4.119 -1.037 2.047 1.00 0.02 C ATOM 2334 OE1 GLN A 148 3.308 -1.592 1.333 1.00 0.02 O ATOM 2335 NE2 GLN A 148 4.646 -1.676 3.056 1.00 0.01 N ATOM 0 H GLN A 148 4.072 3.035 2.480 1.00 0.01 H new ATOM 0 HA GLN A 148 4.708 2.459 -0.402 1.00 0.01 H new ATOM 0 HB2 GLN A 148 2.549 1.078 1.236 1.00 0.00 H new ATOM 0 HB3 GLN A 148 3.475 0.437 -0.107 1.00 0.00 H new ATOM 0 HG2 GLN A 148 5.543 0.444 1.369 1.00 0.02 H new ATOM 0 HG3 GLN A 148 4.549 0.977 2.710 1.00 0.02 H new ATOM 0 HE21 GLN A 148 5.327 -1.210 3.655 1.00 0.01 H new ATOM 0 HE22 GLN A 148 4.377 -2.642 3.245 1.00 0.01 H new ATOM 2344 N TYR A 149 2.470 3.326 -1.253 1.00 0.01 N ATOM 2345 CA TYR A 149 1.274 4.077 -1.749 1.00 0.01 C ATOM 2346 C TYR A 149 0.384 3.116 -2.538 1.00 0.01 C ATOM 2347 O TYR A 149 0.868 2.355 -3.352 1.00 0.01 O ATOM 2348 CB TYR A 149 1.725 5.230 -2.648 1.00 0.01 C ATOM 2349 CG TYR A 149 2.887 5.945 -2.005 1.00 0.01 C ATOM 2350 CD1 TYR A 149 4.198 5.532 -2.273 1.00 0.01 C ATOM 2351 CD2 TYR A 149 2.654 7.021 -1.141 1.00 0.01 C ATOM 2352 CE1 TYR A 149 5.276 6.197 -1.676 1.00 0.01 C ATOM 2353 CE2 TYR A 149 3.732 7.685 -0.544 1.00 0.01 C ATOM 2354 CZ TYR A 149 5.042 7.274 -0.812 1.00 0.01 C ATOM 2355 OH TYR A 149 6.104 7.930 -0.223 1.00 0.01 O ATOM 0 H TYR A 149 3.009 2.856 -1.981 1.00 0.01 H new ATOM 0 HA TYR A 149 0.716 4.488 -0.907 1.00 0.01 H new ATOM 0 HB2 TYR A 149 2.015 4.849 -3.627 1.00 0.01 H new ATOM 0 HB3 TYR A 149 0.900 5.925 -2.808 1.00 0.01 H new ATOM 0 HD1 TYR A 149 4.377 4.701 -2.940 1.00 0.01 H new ATOM 0 HD2 TYR A 149 1.643 7.339 -0.935 1.00 0.01 H new ATOM 0 HE1 TYR A 149 6.288 5.879 -1.882 1.00 0.01 H new ATOM 0 HE2 TYR A 149 3.552 8.515 0.124 1.00 0.01 H new ATOM 0 HH TYR A 149 5.767 8.653 0.346 1.00 0.01 H new ATOM 2365 N LEU A 150 -0.903 3.113 -2.302 1.00 0.01 N ATOM 2366 CA LEU A 150 -1.792 2.164 -3.042 1.00 0.01 C ATOM 2367 C LEU A 150 -2.383 2.872 -4.261 1.00 0.01 C ATOM 2368 O LEU A 150 -3.062 3.874 -4.143 1.00 0.01 O ATOM 2369 CB LEU A 150 -2.913 1.720 -2.092 1.00 0.01 C ATOM 2370 CG LEU A 150 -3.823 0.683 -2.772 1.00 0.01 C ATOM 2371 CD1 LEU A 150 -3.075 -0.647 -2.963 1.00 0.01 C ATOM 2372 CD2 LEU A 150 -5.055 0.457 -1.891 1.00 0.01 C ATOM 0 H LEU A 150 -1.375 3.722 -1.634 1.00 0.01 H new ATOM 0 HA LEU A 150 -1.230 1.294 -3.382 1.00 0.01 H new ATOM 0 HB2 LEU A 150 -2.481 1.294 -1.186 1.00 0.01 H new ATOM 0 HB3 LEU A 150 -3.503 2.585 -1.788 1.00 0.01 H new ATOM 0 HG LEU A 150 -4.123 1.054 -3.752 1.00 0.01 H new ATOM 0 HD11 LEU A 150 -3.734 -1.369 -3.445 1.00 0.01 H new ATOM 0 HD12 LEU A 150 -2.196 -0.484 -3.587 1.00 0.01 H new ATOM 0 HD13 LEU A 150 -2.764 -1.032 -1.992 1.00 0.01 H new ATOM 0 HD21 LEU A 150 -5.709 -0.277 -2.362 1.00 0.01 H new ATOM 0 HD22 LEU A 150 -4.741 0.089 -0.914 1.00 0.01 H new ATOM 0 HD23 LEU A 150 -5.593 1.397 -1.769 1.00 0.01 H new ATOM 2384 N LEU A 151 -2.144 2.345 -5.433 1.00 0.01 N ATOM 2385 CA LEU A 151 -2.701 2.965 -6.672 1.00 0.01 C ATOM 2386 C LEU A 151 -3.991 2.237 -7.051 1.00 0.01 C ATOM 2387 O LEU A 151 -4.080 1.030 -6.947 1.00 0.01 O ATOM 2388 CB LEU A 151 -1.686 2.834 -7.810 1.00 0.01 C ATOM 2389 CG LEU A 151 -0.298 3.247 -7.314 1.00 0.01 C ATOM 2390 CD1 LEU A 151 0.678 3.264 -8.491 1.00 0.01 C ATOM 2391 CD2 LEU A 151 -0.366 4.644 -6.686 1.00 0.01 C ATOM 0 H LEU A 151 -1.584 1.507 -5.586 1.00 0.01 H new ATOM 0 HA LEU A 151 -2.909 4.021 -6.497 1.00 0.01 H new ATOM 0 HB2 LEU A 151 -1.662 1.806 -8.172 1.00 0.01 H new ATOM 0 HB3 LEU A 151 -1.984 3.461 -8.650 1.00 0.01 H new ATOM 0 HG LEU A 151 0.044 2.533 -6.565 1.00 0.01 H new ATOM 0 HD11 LEU A 151 1.667 3.558 -8.139 1.00 0.01 H new ATOM 0 HD12 LEU A 151 0.731 2.269 -8.934 1.00 0.01 H new ATOM 0 HD13 LEU A 151 0.333 3.977 -9.240 1.00 0.01 H new ATOM 0 HD21 LEU A 151 0.624 4.933 -6.334 1.00 0.01 H new ATOM 0 HD22 LEU A 151 -0.711 5.361 -7.431 1.00 0.01 H new ATOM 0 HD23 LEU A 151 -1.060 4.632 -5.846 1.00 0.01 H new ATOM 2403 N ASP A 152 -4.991 2.962 -7.484 1.00 0.01 N ATOM 2404 CA ASP A 152 -6.289 2.324 -7.870 1.00 0.01 C ATOM 2405 C ASP A 152 -6.456 2.384 -9.390 1.00 0.00 C ATOM 2406 O ASP A 152 -5.533 2.699 -10.114 1.00 0.01 O ATOM 2407 CB ASP A 152 -7.438 3.084 -7.203 1.00 1.04 C ATOM 2408 CG ASP A 152 -7.143 3.242 -5.712 1.00 1.54 C ATOM 2409 OD1 ASP A 152 -6.492 2.370 -5.162 1.00 1.57 O ATOM 2410 OD2 ASP A 152 -7.571 4.234 -5.145 1.00 2.27 O ATOM 0 H ASP A 152 -4.965 3.976 -7.588 1.00 0.01 H new ATOM 0 HA ASP A 152 -6.297 1.283 -7.546 1.00 0.01 H new ATOM 0 HB2 ASP A 152 -7.559 4.063 -7.667 1.00 1.04 H new ATOM 0 HB3 ASP A 152 -8.375 2.546 -7.345 1.00 1.04 H new ATOM 2415 N LYS A 153 -7.628 2.083 -9.878 1.00 0.01 N ATOM 2416 CA LYS A 153 -7.860 2.119 -11.351 1.00 0.01 C ATOM 2417 C LYS A 153 -8.099 3.565 -11.793 1.00 0.01 C ATOM 2418 O LYS A 153 -8.955 3.840 -12.610 1.00 0.01 O ATOM 2419 CB LYS A 153 -9.088 1.264 -11.688 1.00 0.38 C ATOM 2420 CG LYS A 153 -9.082 0.909 -13.177 1.00 0.71 C ATOM 2421 CD LYS A 153 -10.253 -0.025 -13.484 1.00 0.72 C ATOM 2422 CE LYS A 153 -10.124 -0.552 -14.913 1.00 1.09 C ATOM 2423 NZ LYS A 153 -11.378 -1.260 -15.295 1.00 1.84 N ATOM 0 H LYS A 153 -8.437 1.813 -9.319 1.00 0.01 H new ATOM 0 HA LYS A 153 -6.988 1.724 -11.872 1.00 0.01 H new ATOM 0 HB2 LYS A 153 -9.084 0.354 -11.088 1.00 0.38 H new ATOM 0 HB3 LYS A 153 -10.000 1.807 -11.438 1.00 0.38 H new ATOM 0 HG2 LYS A 153 -9.159 1.815 -13.778 1.00 0.71 H new ATOM 0 HG3 LYS A 153 -8.141 0.429 -13.443 1.00 0.71 H new ATOM 0 HD2 LYS A 153 -10.264 -0.856 -12.778 1.00 0.72 H new ATOM 0 HD3 LYS A 153 -11.197 0.507 -13.365 1.00 0.72 H new ATOM 0 HE2 LYS A 153 -9.935 0.272 -15.601 1.00 1.09 H new ATOM 0 HE3 LYS A 153 -9.274 -1.230 -14.987 1.00 1.09 H new ATOM 0 HZ1 LYS A 153 -11.292 -1.619 -16.267 1.00 1.84 H new ATOM 0 HZ2 LYS A 153 -11.539 -2.056 -14.645 1.00 1.84 H new ATOM 0 HZ3 LYS A 153 -12.180 -0.600 -15.240 1.00 1.84 H new ATOM 2437 N LYS A 154 -7.347 4.492 -11.252 1.00 0.00 N ATOM 2438 CA LYS A 154 -7.513 5.934 -11.622 1.00 0.01 C ATOM 2439 C LYS A 154 -6.261 6.418 -12.358 1.00 0.01 C ATOM 2440 O LYS A 154 -5.243 5.754 -12.368 1.00 0.00 O ATOM 2441 CB LYS A 154 -7.702 6.756 -10.341 1.00 0.39 C ATOM 2442 CG LYS A 154 -7.939 8.228 -10.697 1.00 0.48 C ATOM 2443 CD LYS A 154 -8.550 8.958 -9.497 1.00 0.97 C ATOM 2444 CE LYS A 154 -7.551 8.971 -8.339 1.00 1.44 C ATOM 2445 NZ LYS A 154 -7.976 9.978 -7.326 1.00 2.28 N ATOM 0 H LYS A 154 -6.618 4.310 -10.563 1.00 0.00 H new ATOM 0 HA LYS A 154 -8.381 6.053 -12.270 1.00 0.01 H new ATOM 0 HB2 LYS A 154 -8.547 6.370 -9.772 1.00 0.39 H new ATOM 0 HB3 LYS A 154 -6.821 6.664 -9.706 1.00 0.39 H new ATOM 0 HG2 LYS A 154 -6.998 8.699 -10.981 1.00 0.48 H new ATOM 0 HG3 LYS A 154 -8.605 8.301 -11.557 1.00 0.48 H new ATOM 0 HD2 LYS A 154 -8.813 9.979 -9.775 1.00 0.97 H new ATOM 0 HD3 LYS A 154 -9.472 8.464 -9.189 1.00 0.97 H new ATOM 0 HE2 LYS A 154 -7.494 7.983 -7.883 1.00 1.44 H new ATOM 0 HE3 LYS A 154 -6.554 9.210 -8.708 1.00 1.44 H new ATOM 0 HZ1 LYS A 154 -7.296 9.987 -6.539 1.00 2.28 H new ATOM 0 HZ2 LYS A 154 -8.009 10.920 -7.765 1.00 2.28 H new ATOM 0 HZ3 LYS A 154 -8.920 9.731 -6.966 1.00 2.28 H new ATOM 2459 N GLU A 155 -6.326 7.577 -12.964 1.00 0.01 N ATOM 2460 CA GLU A 155 -5.141 8.126 -13.694 1.00 0.01 C ATOM 2461 C GLU A 155 -4.494 9.202 -12.825 1.00 0.01 C ATOM 2462 O GLU A 155 -5.124 10.175 -12.457 1.00 0.01 O ATOM 2463 CB GLU A 155 -5.596 8.744 -15.019 1.00 0.01 C ATOM 2464 CG GLU A 155 -6.419 7.721 -15.804 1.00 0.01 C ATOM 2465 CD GLU A 155 -5.566 6.482 -16.077 1.00 0.01 C ATOM 2466 OE1 GLU A 155 -4.571 6.611 -16.771 1.00 0.01 O ATOM 2467 OE2 GLU A 155 -5.922 5.423 -15.586 1.00 0.01 O ATOM 0 H GLU A 155 -7.155 8.171 -12.985 1.00 0.01 H new ATOM 0 HA GLU A 155 -4.426 7.329 -13.900 1.00 0.01 H new ATOM 0 HB2 GLU A 155 -6.191 9.637 -14.830 1.00 0.01 H new ATOM 0 HB3 GLU A 155 -4.730 9.055 -15.603 1.00 0.01 H new ATOM 0 HG2 GLU A 155 -7.310 7.445 -15.240 1.00 0.01 H new ATOM 0 HG3 GLU A 155 -6.759 8.156 -16.744 1.00 0.01 H new ATOM 2474 N TYR A 156 -3.248 9.026 -12.473 1.00 0.00 N ATOM 2475 CA TYR A 156 -2.560 10.026 -11.602 1.00 0.01 C ATOM 2476 C TYR A 156 -1.723 10.982 -12.451 1.00 0.01 C ATOM 2477 O TYR A 156 -0.780 10.580 -13.105 1.00 0.01 O ATOM 2478 CB TYR A 156 -1.664 9.278 -10.614 1.00 0.01 C ATOM 2479 CG TYR A 156 -2.501 8.300 -9.827 1.00 0.00 C ATOM 2480 CD1 TYR A 156 -2.775 7.031 -10.352 1.00 0.01 C ATOM 2481 CD2 TYR A 156 -3.007 8.663 -8.574 1.00 0.01 C ATOM 2482 CE1 TYR A 156 -3.555 6.125 -9.622 1.00 0.01 C ATOM 2483 CE2 TYR A 156 -3.787 7.758 -7.844 1.00 0.01 C ATOM 2484 CZ TYR A 156 -4.060 6.490 -8.368 1.00 0.01 C ATOM 2485 OH TYR A 156 -4.830 5.598 -7.648 1.00 0.01 O ATOM 0 H TYR A 156 -2.674 8.230 -12.752 1.00 0.00 H new ATOM 0 HA TYR A 156 -3.301 10.613 -11.060 1.00 0.01 H new ATOM 0 HB2 TYR A 156 -0.874 8.751 -11.149 1.00 0.01 H new ATOM 0 HB3 TYR A 156 -1.177 9.983 -9.940 1.00 0.01 H new ATOM 0 HD1 TYR A 156 -2.385 6.751 -11.319 1.00 0.01 H new ATOM 0 HD2 TYR A 156 -2.796 9.642 -8.170 1.00 0.01 H new ATOM 0 HE1 TYR A 156 -3.767 5.146 -10.026 1.00 0.01 H new ATOM 0 HE2 TYR A 156 -4.178 8.039 -6.877 1.00 0.01 H new ATOM 0 HH TYR A 156 -5.099 6.008 -6.800 1.00 0.01 H new ATOM 2495 N ARG A 157 -2.080 12.239 -12.482 1.00 0.01 N ATOM 2496 CA ARG A 157 -1.327 13.211 -13.330 1.00 0.01 C ATOM 2497 C ARG A 157 -0.218 13.891 -12.525 1.00 0.00 C ATOM 2498 O ARG A 157 0.770 14.324 -13.084 1.00 0.01 O ATOM 2499 CB ARG A 157 -2.295 14.280 -13.842 1.00 0.01 C ATOM 2500 CG ARG A 157 -3.558 13.609 -14.387 1.00 0.01 C ATOM 2501 CD ARG A 157 -4.498 14.674 -14.954 1.00 0.00 C ATOM 2502 NE ARG A 157 -4.632 15.790 -13.977 1.00 0.01 N ATOM 2503 CZ ARG A 157 -5.135 16.933 -14.357 1.00 0.01 C ATOM 2504 NH1 ARG A 157 -5.518 17.098 -15.594 1.00 0.01 N ATOM 2505 NH2 ARG A 157 -5.256 17.909 -13.501 1.00 0.01 N ATOM 0 H ARG A 157 -2.860 12.635 -11.957 1.00 0.01 H new ATOM 0 HA ARG A 157 -0.876 12.671 -14.163 1.00 0.01 H new ATOM 0 HB2 ARG A 157 -2.554 14.966 -13.036 1.00 0.01 H new ATOM 0 HB3 ARG A 157 -1.819 14.872 -14.624 1.00 0.01 H new ATOM 0 HG2 ARG A 157 -3.295 12.891 -15.163 1.00 0.01 H new ATOM 0 HG3 ARG A 157 -4.058 13.053 -13.594 1.00 0.01 H new ATOM 0 HD2 ARG A 157 -4.110 15.050 -15.901 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -5.476 14.238 -15.161 1.00 0.00 H new ATOM 0 HE ARG A 157 -4.331 15.661 -13.011 1.00 0.01 H new ATOM 0 HH11 ARG A 157 -5.424 16.334 -16.263 1.00 0.01 H new ATOM 0 HH12 ARG A 157 -5.911 17.991 -15.891 1.00 0.01 H new ATOM 0 HH21 ARG A 157 -4.958 17.779 -12.534 1.00 0.01 H new ATOM 0 HH22 ARG A 157 -5.649 18.802 -13.798 1.00 0.01 H new ATOM 2519 N LYS A 158 -0.356 13.983 -11.223 1.00 0.01 N ATOM 2520 CA LYS A 158 0.705 14.628 -10.382 1.00 0.01 C ATOM 2521 C LYS A 158 1.131 13.619 -9.299 1.00 0.01 C ATOM 2522 O LYS A 158 0.346 12.779 -8.911 1.00 0.01 O ATOM 2523 CB LYS A 158 0.112 15.892 -9.730 1.00 0.58 C ATOM 2524 CG LYS A 158 -0.888 16.540 -10.692 1.00 0.97 C ATOM 2525 CD LYS A 158 -1.185 17.974 -10.244 1.00 1.44 C ATOM 2526 CE LYS A 158 -1.755 17.964 -8.823 1.00 2.13 C ATOM 2527 NZ LYS A 158 -2.401 19.275 -8.537 1.00 2.54 N ATOM 0 H LYS A 158 -1.163 13.637 -10.703 1.00 0.01 H new ATOM 0 HA LYS A 158 1.571 14.909 -10.982 1.00 0.01 H new ATOM 0 HB2 LYS A 158 -0.383 15.634 -8.794 1.00 0.58 H new ATOM 0 HB3 LYS A 158 0.908 16.596 -9.486 1.00 0.58 H new ATOM 0 HG2 LYS A 158 -0.484 16.542 -11.704 1.00 0.97 H new ATOM 0 HG3 LYS A 158 -1.810 15.959 -10.718 1.00 0.97 H new ATOM 0 HD2 LYS A 158 -0.274 18.571 -10.276 1.00 1.44 H new ATOM 0 HD3 LYS A 158 -1.895 18.439 -10.928 1.00 1.44 H new ATOM 0 HE2 LYS A 158 -2.481 17.158 -8.717 1.00 2.13 H new ATOM 0 HE3 LYS A 158 -0.960 17.774 -8.102 1.00 2.13 H new ATOM 0 HZ1 LYS A 158 -2.788 19.268 -7.572 1.00 2.54 H new ATOM 0 HZ2 LYS A 158 -1.696 20.035 -8.622 1.00 2.54 H new ATOM 0 HZ3 LYS A 158 -3.170 19.439 -9.217 1.00 2.54 H new ATOM 2541 N PRO A 159 2.338 13.689 -8.785 1.00 0.01 N ATOM 2542 CA PRO A 159 2.750 12.732 -7.720 1.00 0.02 C ATOM 2543 C PRO A 159 1.846 12.871 -6.488 1.00 0.01 C ATOM 2544 O PRO A 159 1.481 11.895 -5.868 1.00 0.01 O ATOM 2545 CB PRO A 159 4.204 13.156 -7.430 1.00 0.41 C ATOM 2546 CG PRO A 159 4.479 14.477 -8.179 1.00 0.70 C ATOM 2547 CD PRO A 159 3.357 14.691 -9.207 1.00 0.28 C ATOM 0 HA PRO A 159 2.670 11.684 -8.007 1.00 0.02 H new ATOM 0 HB2 PRO A 159 4.355 13.288 -6.359 1.00 0.41 H new ATOM 0 HB3 PRO A 159 4.898 12.382 -7.757 1.00 0.41 H new ATOM 0 HG2 PRO A 159 4.516 15.311 -7.478 1.00 0.70 H new ATOM 0 HG3 PRO A 159 5.448 14.437 -8.677 1.00 0.70 H new ATOM 0 HD2 PRO A 159 2.965 15.707 -9.174 1.00 0.28 H new ATOM 0 HD3 PRO A 159 3.701 14.515 -10.226 1.00 0.28 H new ATOM 2555 N VAL A 160 1.485 14.061 -6.124 1.00 0.01 N ATOM 2556 CA VAL A 160 0.612 14.234 -4.929 1.00 0.02 C ATOM 2557 C VAL A 160 -0.714 13.500 -5.157 1.00 0.02 C ATOM 2558 O VAL A 160 -1.444 13.220 -4.227 1.00 0.02 O ATOM 2559 CB VAL A 160 0.346 15.724 -4.717 1.00 0.14 C ATOM 2560 CG1 VAL A 160 -0.557 15.913 -3.498 1.00 0.86 C ATOM 2561 CG2 VAL A 160 1.675 16.449 -4.486 1.00 0.74 C ATOM 0 H VAL A 160 1.753 14.924 -6.598 1.00 0.01 H new ATOM 0 HA VAL A 160 1.104 13.822 -4.048 1.00 0.02 H new ATOM 0 HB VAL A 160 -0.145 16.136 -5.599 1.00 0.14 H new ATOM 0 HG11 VAL A 160 -0.747 16.976 -3.347 1.00 0.86 H new ATOM 0 HG12 VAL A 160 -1.502 15.395 -3.662 1.00 0.86 H new ATOM 0 HG13 VAL A 160 -0.067 15.503 -2.615 1.00 0.86 H new ATOM 0 HG21 VAL A 160 1.488 17.512 -4.335 1.00 0.74 H new ATOM 0 HG22 VAL A 160 2.165 16.038 -3.604 1.00 0.74 H new ATOM 0 HG23 VAL A 160 2.319 16.314 -5.355 1.00 0.74 H new ATOM 2571 N ASP A 161 -1.046 13.201 -6.381 1.00 0.00 N ATOM 2572 CA ASP A 161 -2.341 12.510 -6.641 1.00 0.01 C ATOM 2573 C ASP A 161 -2.368 11.091 -6.046 1.00 0.01 C ATOM 2574 O ASP A 161 -3.433 10.542 -5.845 1.00 0.01 O ATOM 2575 CB ASP A 161 -2.574 12.414 -8.150 1.00 0.00 C ATOM 2576 CG ASP A 161 -2.586 13.818 -8.754 1.00 0.02 C ATOM 2577 OD1 ASP A 161 -2.438 14.767 -8.002 1.00 0.00 O ATOM 2578 OD2 ASP A 161 -2.746 13.922 -9.959 1.00 0.00 O ATOM 0 H ASP A 161 -0.483 13.403 -7.207 1.00 0.00 H new ATOM 0 HA ASP A 161 -3.126 13.096 -6.163 1.00 0.01 H new ATOM 0 HB2 ASP A 161 -1.790 11.814 -8.612 1.00 0.00 H new ATOM 0 HB3 ASP A 161 -3.520 11.912 -8.351 1.00 0.00 H new ATOM 2583 N TRP A 162 -1.229 10.499 -5.728 1.00 0.01 N ATOM 2584 CA TRP A 162 -1.256 9.122 -5.108 1.00 0.01 C ATOM 2585 C TRP A 162 -1.011 9.220 -3.596 1.00 0.01 C ATOM 2586 O TRP A 162 -0.772 8.231 -2.931 1.00 0.01 O ATOM 2587 CB TRP A 162 -0.254 8.149 -5.763 1.00 0.01 C ATOM 2588 CG TRP A 162 1.086 8.767 -6.002 1.00 0.02 C ATOM 2589 CD1 TRP A 162 1.813 9.451 -5.094 1.00 0.01 C ATOM 2590 CD2 TRP A 162 1.887 8.715 -7.216 1.00 0.01 C ATOM 2591 NE1 TRP A 162 3.008 9.837 -5.682 1.00 0.01 N ATOM 2592 CE2 TRP A 162 3.099 9.405 -6.989 1.00 0.01 C ATOM 2593 CE3 TRP A 162 1.677 8.146 -8.486 1.00 0.01 C ATOM 2594 CZ2 TRP A 162 4.072 9.524 -7.984 1.00 0.01 C ATOM 2595 CZ3 TRP A 162 2.652 8.264 -9.488 1.00 0.01 C ATOM 2596 CH2 TRP A 162 3.847 8.952 -9.237 1.00 0.01 C ATOM 0 H TRP A 162 -0.301 10.899 -5.867 1.00 0.01 H new ATOM 0 HA TRP A 162 -2.248 8.708 -5.288 1.00 0.01 H new ATOM 0 HB2 TRP A 162 -0.136 7.273 -5.125 1.00 0.01 H new ATOM 0 HB3 TRP A 162 -0.662 7.800 -6.712 1.00 0.01 H new ATOM 0 HD1 TRP A 162 1.514 9.663 -4.078 1.00 0.01 H new ATOM 0 HE1 TRP A 162 3.732 10.375 -5.206 1.00 0.01 H new ATOM 0 HE3 TRP A 162 0.759 7.615 -8.691 1.00 0.01 H new ATOM 0 HZ2 TRP A 162 4.991 10.055 -7.785 1.00 0.01 H new ATOM 0 HZ3 TRP A 162 2.481 7.822 -10.458 1.00 0.01 H new ATOM 0 HH2 TRP A 162 4.593 9.039 -10.013 1.00 0.01 H new ATOM 2607 N GLY A 163 -1.133 10.400 -3.038 1.00 0.02 N ATOM 2608 CA GLY A 163 -0.981 10.560 -1.557 1.00 0.01 C ATOM 2609 C GLY A 163 0.479 10.750 -1.120 1.00 0.01 C ATOM 2610 O GLY A 163 0.784 10.684 0.054 1.00 0.01 O ATOM 0 H GLY A 163 -1.332 11.262 -3.546 1.00 0.02 H new ATOM 0 HA2 GLY A 163 -1.567 11.418 -1.228 1.00 0.01 H new ATOM 0 HA3 GLY A 163 -1.392 9.682 -1.058 1.00 0.01 H new ATOM 2614 N ALA A 164 1.388 10.973 -2.036 1.00 0.01 N ATOM 2615 CA ALA A 164 2.826 11.150 -1.644 1.00 0.02 C ATOM 2616 C ALA A 164 3.196 12.634 -1.642 1.00 0.01 C ATOM 2617 O ALA A 164 2.789 13.394 -2.497 1.00 0.02 O ATOM 2618 CB ALA A 164 3.713 10.449 -2.670 1.00 0.01 C ATOM 0 H ALA A 164 1.200 11.041 -3.036 1.00 0.01 H new ATOM 0 HA ALA A 164 2.970 10.730 -0.649 1.00 0.02 H new ATOM 0 HB1 ALA A 164 4.759 10.573 -2.392 1.00 0.01 H new ATOM 0 HB2 ALA A 164 3.469 9.387 -2.697 1.00 0.01 H new ATOM 0 HB3 ALA A 164 3.545 10.885 -3.655 1.00 0.01 H new ATOM 2624 N ALA A 165 3.975 13.044 -0.679 1.00 0.02 N ATOM 2625 CA ALA A 165 4.395 14.473 -0.596 1.00 0.01 C ATOM 2626 C ALA A 165 5.635 14.708 -1.466 1.00 0.02 C ATOM 2627 O ALA A 165 6.068 15.830 -1.639 1.00 0.01 O ATOM 2628 CB ALA A 165 4.729 14.829 0.854 1.00 0.59 C ATOM 0 H ALA A 165 4.342 12.445 0.061 1.00 0.02 H new ATOM 0 HA ALA A 165 3.577 15.100 -0.952 1.00 0.01 H new ATOM 0 HB1 ALA A 165 5.035 15.873 0.911 1.00 0.59 H new ATOM 0 HB2 ALA A 165 3.849 14.674 1.479 1.00 0.59 H new ATOM 0 HB3 ALA A 165 5.541 14.193 1.207 1.00 0.59 H new ATOM 2634 N SER A 166 6.215 13.666 -2.015 1.00 0.01 N ATOM 2635 CA SER A 166 7.435 13.839 -2.874 1.00 0.01 C ATOM 2636 C SER A 166 7.357 12.889 -4.088 1.00 0.02 C ATOM 2637 O SER A 166 6.786 11.821 -3.990 1.00 0.01 O ATOM 2638 CB SER A 166 8.673 13.494 -2.047 1.00 0.72 C ATOM 2639 OG SER A 166 8.757 14.382 -0.940 1.00 0.87 O ATOM 0 H SER A 166 5.898 12.703 -1.906 1.00 0.01 H new ATOM 0 HA SER A 166 7.492 14.869 -3.226 1.00 0.01 H new ATOM 0 HB2 SER A 166 8.616 12.463 -1.698 1.00 0.72 H new ATOM 0 HB3 SER A 166 9.570 13.574 -2.662 1.00 0.72 H new ATOM 0 HG SER A 166 9.549 14.164 -0.405 1.00 0.87 H new ATOM 2645 N PRO A 167 7.937 13.245 -5.227 1.00 0.02 N ATOM 2646 CA PRO A 167 7.904 12.343 -6.417 1.00 0.01 C ATOM 2647 C PRO A 167 8.870 11.160 -6.267 1.00 0.01 C ATOM 2648 O PRO A 167 9.201 10.490 -7.231 1.00 0.01 O ATOM 2649 CB PRO A 167 8.383 13.278 -7.539 1.00 0.38 C ATOM 2650 CG PRO A 167 9.154 14.428 -6.873 1.00 0.35 C ATOM 2651 CD PRO A 167 8.649 14.547 -5.426 1.00 0.22 C ATOM 0 HA PRO A 167 6.925 11.894 -6.584 1.00 0.01 H new ATOM 0 HB2 PRO A 167 9.022 12.742 -8.240 1.00 0.38 H new ATOM 0 HB3 PRO A 167 7.536 13.661 -8.108 1.00 0.38 H new ATOM 0 HG2 PRO A 167 10.226 14.231 -6.890 1.00 0.35 H new ATOM 0 HG3 PRO A 167 8.993 15.361 -7.413 1.00 0.35 H new ATOM 0 HD2 PRO A 167 9.469 14.674 -4.719 1.00 0.22 H new ATOM 0 HD3 PRO A 167 7.982 15.399 -5.297 1.00 0.22 H new ATOM 2659 N ALA A 168 9.351 10.915 -5.078 1.00 0.01 N ATOM 2660 CA ALA A 168 10.321 9.800 -4.902 1.00 0.01 C ATOM 2661 C ALA A 168 9.595 8.462 -4.782 1.00 0.01 C ATOM 2662 O ALA A 168 8.795 8.235 -3.899 1.00 0.02 O ATOM 2663 CB ALA A 168 11.137 10.041 -3.632 1.00 0.18 C ATOM 0 H ALA A 168 9.117 11.433 -4.231 1.00 0.01 H new ATOM 0 HA ALA A 168 10.975 9.766 -5.774 1.00 0.01 H new ATOM 0 HB1 ALA A 168 11.850 9.227 -3.498 1.00 0.18 H new ATOM 0 HB2 ALA A 168 11.676 10.984 -3.719 1.00 0.18 H new ATOM 0 HB3 ALA A 168 10.468 10.083 -2.772 1.00 0.18 H new ATOM 2669 N ILE A 169 9.924 7.582 -5.686 1.00 0.01 N ATOM 2670 CA ILE A 169 9.337 6.212 -5.727 1.00 0.01 C ATOM 2671 C ILE A 169 10.430 5.310 -6.316 1.00 0.01 C ATOM 2672 O ILE A 169 10.953 5.590 -7.377 1.00 0.01 O ATOM 2673 CB ILE A 169 8.074 6.248 -6.628 1.00 1.81 C ATOM 2674 CG1 ILE A 169 6.807 6.557 -5.778 1.00 2.75 C ATOM 2675 CG2 ILE A 169 7.889 4.911 -7.362 1.00 2.24 C ATOM 2676 CD1 ILE A 169 5.831 7.437 -6.574 1.00 3.99 C ATOM 0 H ILE A 169 10.602 7.764 -6.426 1.00 0.01 H new ATOM 0 HA ILE A 169 9.032 5.842 -4.748 1.00 0.01 H new ATOM 0 HB ILE A 169 8.211 7.038 -7.366 1.00 1.81 H new ATOM 0 HG12 ILE A 169 6.317 5.626 -5.492 1.00 2.75 H new ATOM 0 HG13 ILE A 169 7.094 7.063 -4.856 1.00 2.75 H new ATOM 0 HG21 ILE A 169 6.998 4.960 -7.987 1.00 2.24 H new ATOM 0 HG22 ILE A 169 8.760 4.715 -7.987 1.00 2.24 H new ATOM 0 HG23 ILE A 169 7.777 4.108 -6.633 1.00 2.24 H new ATOM 0 HD11 ILE A 169 4.950 7.645 -5.967 1.00 3.99 H new ATOM 0 HD12 ILE A 169 6.319 8.375 -6.838 1.00 3.99 H new ATOM 0 HD13 ILE A 169 5.530 6.916 -7.483 1.00 3.99 H new ATOM 2688 N GLN A 170 10.818 4.262 -5.621 1.00 0.01 N ATOM 2689 CA GLN A 170 11.927 3.384 -6.125 1.00 0.01 C ATOM 2690 C GLN A 170 11.454 1.978 -6.511 1.00 0.02 C ATOM 2691 O GLN A 170 12.192 1.260 -7.158 1.00 0.01 O ATOM 2692 CB GLN A 170 12.994 3.257 -5.037 1.00 2.62 C ATOM 2693 CG GLN A 170 13.662 4.615 -4.816 1.00 3.39 C ATOM 2694 CD GLN A 170 14.554 4.946 -6.012 1.00 4.36 C ATOM 2695 OE1 GLN A 170 14.193 5.748 -6.850 1.00 4.83 O ATOM 2696 NE2 GLN A 170 15.713 4.357 -6.131 1.00 5.17 N ATOM 0 H GLN A 170 10.415 3.978 -4.728 1.00 0.01 H new ATOM 0 HA GLN A 170 12.322 3.854 -7.025 1.00 0.01 H new ATOM 0 HB2 GLN A 170 12.542 2.907 -4.109 1.00 2.62 H new ATOM 0 HB3 GLN A 170 13.739 2.516 -5.328 1.00 2.62 H new ATOM 0 HG2 GLN A 170 12.904 5.388 -4.689 1.00 3.39 H new ATOM 0 HG3 GLN A 170 14.255 4.596 -3.901 1.00 3.39 H new ATOM 0 HE21 GLN A 170 16.017 3.683 -5.428 1.00 5.17 H new ATOM 0 HE22 GLN A 170 16.314 4.570 -6.927 1.00 5.17 H new ATOM 2705 N SER A 171 10.275 1.530 -6.160 1.00 0.01 N ATOM 2706 CA SER A 171 9.898 0.139 -6.574 1.00 0.01 C ATOM 2707 C SER A 171 8.377 -0.014 -6.586 1.00 0.01 C ATOM 2708 O SER A 171 7.661 0.738 -5.960 1.00 0.01 O ATOM 2709 CB SER A 171 10.503 -0.864 -5.590 1.00 0.01 C ATOM 2710 OG SER A 171 10.145 -2.182 -5.984 1.00 0.02 O ATOM 0 H SER A 171 9.576 2.044 -5.623 1.00 0.01 H new ATOM 0 HA SER A 171 10.281 -0.050 -7.577 1.00 0.01 H new ATOM 0 HB2 SER A 171 11.588 -0.761 -5.568 1.00 0.01 H new ATOM 0 HB3 SER A 171 10.143 -0.663 -4.581 1.00 0.01 H new ATOM 0 HG SER A 171 10.053 -2.748 -5.189 1.00 0.02 H new ATOM 2716 N PHE A 172 7.884 -1.011 -7.280 1.00 0.01 N ATOM 2717 CA PHE A 172 6.407 -1.242 -7.313 1.00 0.01 C ATOM 2718 C PHE A 172 6.119 -2.729 -7.548 1.00 0.01 C ATOM 2719 O PHE A 172 6.925 -3.448 -8.110 1.00 0.01 O ATOM 2720 CB PHE A 172 5.741 -0.384 -8.399 1.00 1.06 C ATOM 2721 CG PHE A 172 6.413 -0.569 -9.741 1.00 0.75 C ATOM 2722 CD1 PHE A 172 6.197 -1.738 -10.481 1.00 0.75 C ATOM 2723 CD2 PHE A 172 7.229 0.444 -10.260 1.00 1.29 C ATOM 2724 CE1 PHE A 172 6.799 -1.894 -11.735 1.00 1.16 C ATOM 2725 CE2 PHE A 172 7.827 0.290 -11.515 1.00 2.02 C ATOM 2726 CZ PHE A 172 7.613 -0.880 -12.253 1.00 1.92 C ATOM 0 H PHE A 172 8.439 -1.672 -7.823 1.00 0.01 H new ATOM 0 HA PHE A 172 5.987 -0.947 -6.351 1.00 0.01 H new ATOM 0 HB2 PHE A 172 4.687 -0.650 -8.479 1.00 1.06 H new ATOM 0 HB3 PHE A 172 5.784 0.666 -8.111 1.00 1.06 H new ATOM 0 HD1 PHE A 172 5.566 -2.519 -10.084 1.00 0.75 H new ATOM 0 HD2 PHE A 172 7.397 1.346 -9.690 1.00 1.29 H new ATOM 0 HE1 PHE A 172 6.635 -2.798 -12.303 1.00 1.16 H new ATOM 0 HE2 PHE A 172 8.454 1.074 -11.915 1.00 2.02 H new ATOM 0 HZ PHE A 172 8.076 -1.000 -13.221 1.00 1.92 H new ATOM 2736 N ARG A 173 4.989 -3.202 -7.084 1.00 0.01 N ATOM 2737 CA ARG A 173 4.654 -4.656 -7.231 1.00 0.01 C ATOM 2738 C ARG A 173 3.150 -4.831 -7.469 1.00 0.01 C ATOM 2739 O ARG A 173 2.333 -4.057 -7.006 1.00 0.01 O ATOM 2740 CB ARG A 173 5.045 -5.379 -5.920 1.00 0.01 C ATOM 2741 CG ARG A 173 6.509 -5.875 -5.978 1.00 0.01 C ATOM 2742 CD ARG A 173 6.553 -7.334 -6.450 1.00 0.01 C ATOM 2743 NE ARG A 173 7.934 -7.676 -6.892 1.00 0.01 N ATOM 2744 CZ ARG A 173 8.280 -8.927 -7.030 1.00 0.01 C ATOM 2745 NH1 ARG A 173 7.417 -9.873 -6.781 1.00 0.01 N ATOM 2746 NH2 ARG A 173 9.490 -9.232 -7.415 1.00 0.01 N ATOM 0 H ARG A 173 4.281 -2.643 -6.608 1.00 0.01 H new ATOM 0 HA ARG A 173 5.196 -5.073 -8.079 1.00 0.01 H new ATOM 0 HB2 ARG A 173 4.920 -4.702 -5.075 1.00 0.01 H new ATOM 0 HB3 ARG A 173 4.377 -6.224 -5.753 1.00 0.01 H new ATOM 0 HG2 ARG A 173 7.087 -5.248 -6.656 1.00 0.01 H new ATOM 0 HG3 ARG A 173 6.970 -5.789 -4.994 1.00 0.01 H new ATOM 0 HD2 ARG A 173 6.244 -7.997 -5.642 1.00 0.01 H new ATOM 0 HD3 ARG A 173 5.851 -7.483 -7.270 1.00 0.01 H new ATOM 0 HE ARG A 173 8.607 -6.935 -7.086 1.00 0.01 H new ATOM 0 HH11 ARG A 173 6.472 -9.635 -6.479 1.00 0.01 H new ATOM 0 HH12 ARG A 173 7.687 -10.851 -6.889 1.00 0.01 H new ATOM 0 HH21 ARG A 173 10.165 -8.492 -7.608 1.00 0.01 H new ATOM 0 HH22 ARG A 173 9.760 -10.210 -7.523 1.00 0.01 H new ATOM 2760 N ARG A 174 2.783 -5.869 -8.179 1.00 0.01 N ATOM 2761 CA ARG A 174 1.342 -6.140 -8.447 1.00 0.01 C ATOM 2762 C ARG A 174 0.774 -6.992 -7.309 1.00 0.01 C ATOM 2763 O ARG A 174 1.442 -7.862 -6.784 1.00 0.01 O ATOM 2764 CB ARG A 174 1.193 -6.905 -9.765 1.00 0.01 C ATOM 2765 CG ARG A 174 1.975 -8.218 -9.693 1.00 0.01 C ATOM 2766 CD ARG A 174 1.950 -8.900 -11.062 1.00 0.01 C ATOM 2767 NE ARG A 174 0.542 -9.005 -11.537 1.00 0.01 N ATOM 2768 CZ ARG A 174 0.293 -9.274 -12.789 1.00 0.01 C ATOM 2769 NH1 ARG A 174 1.278 -9.450 -13.627 1.00 0.01 N ATOM 2770 NH2 ARG A 174 -0.941 -9.367 -13.205 1.00 0.01 N ATOM 0 H ARG A 174 3.429 -6.545 -8.587 1.00 0.01 H new ATOM 0 HA ARG A 174 0.803 -5.195 -8.514 1.00 0.01 H new ATOM 0 HB2 ARG A 174 0.140 -7.108 -9.961 1.00 0.01 H new ATOM 0 HB3 ARG A 174 1.560 -6.297 -10.592 1.00 0.01 H new ATOM 0 HG2 ARG A 174 3.004 -8.025 -9.389 1.00 0.01 H new ATOM 0 HG3 ARG A 174 1.538 -8.874 -8.940 1.00 0.01 H new ATOM 0 HD2 ARG A 174 2.545 -8.330 -11.776 1.00 0.01 H new ATOM 0 HD3 ARG A 174 2.398 -9.892 -10.995 1.00 0.01 H new ATOM 0 HE ARG A 174 -0.228 -8.866 -10.883 1.00 0.01 H new ATOM 0 HH11 ARG A 174 2.242 -9.377 -13.303 1.00 0.01 H new ATOM 0 HH12 ARG A 174 1.083 -9.660 -14.606 1.00 0.01 H new ATOM 0 HH21 ARG A 174 -1.711 -9.229 -12.551 1.00 0.01 H new ATOM 0 HH22 ARG A 174 -1.135 -9.577 -14.184 1.00 0.01 H new ATOM 2784 N ILE A 175 -0.457 -6.761 -6.938 1.00 0.01 N ATOM 2785 CA ILE A 175 -1.074 -7.576 -5.843 1.00 0.01 C ATOM 2786 C ILE A 175 -1.900 -8.709 -6.462 1.00 0.00 C ATOM 2787 O ILE A 175 -2.719 -8.479 -7.329 1.00 0.01 O ATOM 2788 CB ILE A 175 -1.988 -6.702 -4.964 1.00 1.52 C ATOM 2789 CG1 ILE A 175 -1.395 -5.298 -4.832 1.00 2.51 C ATOM 2790 CG2 ILE A 175 -2.109 -7.324 -3.572 1.00 1.75 C ATOM 2791 CD1 ILE A 175 -2.305 -4.449 -3.939 1.00 3.04 C ATOM 0 H ILE A 175 -1.063 -6.047 -7.342 1.00 0.01 H new ATOM 0 HA ILE A 175 -0.279 -7.987 -5.221 1.00 0.01 H new ATOM 0 HB ILE A 175 -2.972 -6.640 -5.428 1.00 1.52 H new ATOM 0 HG12 ILE A 175 -0.394 -5.352 -4.405 1.00 2.51 H new ATOM 0 HG13 ILE A 175 -1.298 -4.837 -5.815 1.00 2.51 H new ATOM 0 HG21 ILE A 175 -2.756 -6.704 -2.951 1.00 1.75 H new ATOM 0 HG22 ILE A 175 -2.536 -8.323 -3.656 1.00 1.75 H new ATOM 0 HG23 ILE A 175 -1.121 -7.388 -3.115 1.00 1.75 H new ATOM 0 HD11 ILE A 175 -1.887 -3.447 -3.841 1.00 3.04 H new ATOM 0 HD12 ILE A 175 -3.297 -4.386 -4.386 1.00 3.04 H new ATOM 0 HD13 ILE A 175 -2.379 -4.909 -2.953 1.00 3.04 H new ATOM 2803 N VAL A 176 -1.695 -9.928 -6.028 1.00 0.01 N ATOM 2804 CA VAL A 176 -2.471 -11.076 -6.595 1.00 0.00 C ATOM 2805 C VAL A 176 -2.937 -11.991 -5.459 1.00 0.01 C ATOM 2806 O VAL A 176 -2.264 -12.148 -4.460 1.00 0.00 O ATOM 2807 CB VAL A 176 -1.578 -11.879 -7.543 1.00 1.38 C ATOM 2808 CG1 VAL A 176 -2.389 -13.015 -8.169 1.00 1.88 C ATOM 2809 CG2 VAL A 176 -1.054 -10.959 -8.648 1.00 1.89 C ATOM 0 H VAL A 176 -1.022 -10.179 -5.304 1.00 0.01 H new ATOM 0 HA VAL A 176 -3.335 -10.691 -7.137 1.00 0.00 H new ATOM 0 HB VAL A 176 -0.739 -12.296 -6.986 1.00 1.38 H new ATOM 0 HG11 VAL A 176 -1.753 -13.587 -8.844 1.00 1.88 H new ATOM 0 HG12 VAL A 176 -2.765 -13.670 -7.383 1.00 1.88 H new ATOM 0 HG13 VAL A 176 -3.228 -12.599 -8.726 1.00 1.88 H new ATOM 0 HG21 VAL A 176 -0.417 -11.529 -9.325 1.00 1.89 H new ATOM 0 HG22 VAL A 176 -1.894 -10.543 -9.204 1.00 1.89 H new ATOM 0 HG23 VAL A 176 -0.477 -10.148 -8.203 1.00 1.89 H new ATOM 2819 N GLU A 177 -4.090 -12.595 -5.608 1.00 0.01 N ATOM 2820 CA GLU A 177 -4.625 -13.507 -4.548 1.00 0.01 C ATOM 2821 C GLU A 177 -5.186 -14.769 -5.206 1.00 0.01 C ATOM 2822 O GLU A 177 -4.498 -15.759 -5.361 1.00 0.01 O ATOM 2823 CB GLU A 177 -5.744 -12.797 -3.780 1.00 2.15 C ATOM 2824 CG GLU A 177 -5.153 -11.659 -2.945 1.00 3.19 C ATOM 2825 CD GLU A 177 -4.413 -12.237 -1.737 1.00 4.20 C ATOM 2826 OE1 GLU A 177 -5.057 -12.879 -0.925 1.00 4.89 O ATOM 2827 OE2 GLU A 177 -3.214 -12.029 -1.646 1.00 4.77 O ATOM 0 H GLU A 177 -4.690 -12.494 -6.427 1.00 0.01 H new ATOM 0 HA GLU A 177 -3.824 -13.775 -3.859 1.00 0.01 H new ATOM 0 HB2 GLU A 177 -6.484 -12.404 -4.477 1.00 2.15 H new ATOM 0 HB3 GLU A 177 -6.261 -13.506 -3.133 1.00 2.15 H new ATOM 0 HG2 GLU A 177 -4.470 -11.066 -3.553 1.00 3.19 H new ATOM 0 HG3 GLU A 177 -5.946 -10.990 -2.612 1.00 3.19 H new