USER MOD reduce.3.24.130724 H: found=0, std=0, add=501, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 504 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 SER OG : rot -61:sc= -1.03! USER MOD Set 1.2: A 142 SER OG : rot -54:sc= 0.251 USER MOD Set 1.3: A 151 THR OG1 : rot 140:sc= 1.13 USER MOD Set 2.1: A 135 HIS : no HD1:sc= -0.707 K(o=-0.87,f=-5.3!) USER MOD Set 2.2: A 159 ASN : amide:sc= -0.163 K(o=-0.87,f=-2.3) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0638) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 120:sc= -1.61! USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 ASN :FLIP amide:sc= -0.167 F(o=-0.81,f=-0.17) USER MOD Single : A 110 LYS NZ :NH3+ -129:sc= 0.573 (180deg=-0.391) USER MOD Single : A 114 THR OG1 : rot 180:sc= -0.25 USER MOD Single : A 140 SER OG : rot -60:sc= -3.53! USER MOD Single : A 145 SER OG : rot 23:sc= 0.741 USER MOD Single : A 146 GLN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD Single : A 148 GLN : amide:sc= -0.181 X(o=-0.18,f=-0.12) USER MOD Single : A 150 SER OG : rot 180:sc= 0 USER MOD Single : A 153 LYS NZ :NH3+ 134:sc= -1.44 (180deg=-2.85!) USER MOD Single : A 155 HIS : no HD1:sc= -0.426 K(o=-0.43,f=-1.1) USER MOD Single : A 157 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 92 22.077 1.166 -5.617 1.00 0.00 N ATOM 2 CA GLU A 92 23.010 1.581 -6.697 1.00 0.00 C ATOM 3 C GLU A 92 22.318 2.488 -7.707 1.00 0.00 C ATOM 4 O GLU A 92 21.207 2.202 -8.153 1.00 0.00 O ATOM 5 CB GLU A 92 23.543 0.325 -7.391 1.00 0.00 C ATOM 6 CG GLU A 92 24.449 0.618 -8.578 1.00 0.00 C ATOM 7 CD GLU A 92 25.714 1.361 -8.191 1.00 0.00 C ATOM 8 OE1 GLU A 92 25.923 1.596 -6.981 1.00 0.00 O ATOM 9 OE2 GLU A 92 26.501 1.704 -9.098 1.00 0.00 O ATOM 0 HA GLU A 92 23.833 2.147 -6.260 1.00 0.00 H new ATOM 0 HB2 GLU A 92 24.093 -0.274 -6.665 1.00 0.00 H new ATOM 0 HB3 GLU A 92 22.700 -0.278 -7.729 1.00 0.00 H new ATOM 0 HG2 GLU A 92 24.719 -0.321 -9.062 1.00 0.00 H new ATOM 0 HG3 GLU A 92 23.898 1.207 -9.311 1.00 0.00 H new ATOM 18 N ALA A 93 22.988 3.582 -8.064 1.00 0.00 N ATOM 19 CA ALA A 93 22.452 4.543 -9.025 1.00 0.00 C ATOM 20 C ALA A 93 21.180 5.204 -8.501 1.00 0.00 C ATOM 21 O ALA A 93 20.239 4.527 -8.086 1.00 0.00 O ATOM 22 CB ALA A 93 22.187 3.862 -10.360 1.00 0.00 C ATOM 0 H ALA A 93 23.909 3.826 -7.699 1.00 0.00 H new ATOM 0 HA ALA A 93 23.197 5.325 -9.169 1.00 0.00 H new ATOM 0 HB1 ALA A 93 21.788 4.590 -11.067 1.00 0.00 H new ATOM 0 HB2 ALA A 93 23.118 3.451 -10.750 1.00 0.00 H new ATOM 0 HB3 ALA A 93 21.465 3.057 -10.221 1.00 0.00 H new ATOM 28 N GLU A 94 21.160 6.533 -8.520 1.00 0.00 N ATOM 29 CA GLU A 94 20.005 7.289 -8.045 1.00 0.00 C ATOM 30 C GLU A 94 18.935 7.412 -9.129 1.00 0.00 C ATOM 31 O GLU A 94 18.326 8.469 -9.293 1.00 0.00 O ATOM 32 CB GLU A 94 20.437 8.680 -7.577 1.00 0.00 C ATOM 33 CG GLU A 94 21.454 8.653 -6.446 1.00 0.00 C ATOM 34 CD GLU A 94 21.834 10.042 -5.972 1.00 0.00 C ATOM 35 OE1 GLU A 94 22.355 10.828 -6.791 1.00 0.00 O ATOM 36 OE2 GLU A 94 21.611 10.344 -4.780 1.00 0.00 O ATOM 0 H GLU A 94 21.930 7.109 -8.859 1.00 0.00 H new ATOM 0 HA GLU A 94 19.574 6.745 -7.204 1.00 0.00 H new ATOM 0 HB2 GLU A 94 20.860 9.223 -8.422 1.00 0.00 H new ATOM 0 HB3 GLU A 94 19.557 9.234 -7.250 1.00 0.00 H new ATOM 0 HG2 GLU A 94 21.046 8.086 -5.609 1.00 0.00 H new ATOM 0 HG3 GLU A 94 22.350 8.129 -6.780 1.00 0.00 H new ATOM 43 N PHE A 95 18.708 6.327 -9.864 1.00 0.00 N ATOM 44 CA PHE A 95 17.707 6.321 -10.926 1.00 0.00 C ATOM 45 C PHE A 95 16.307 6.072 -10.365 1.00 0.00 C ATOM 46 O PHE A 95 15.545 5.276 -10.912 1.00 0.00 O ATOM 47 CB PHE A 95 18.043 5.263 -11.983 1.00 0.00 C ATOM 48 CG PHE A 95 19.228 5.608 -12.844 1.00 0.00 C ATOM 49 CD1 PHE A 95 20.439 5.972 -12.277 1.00 0.00 C ATOM 50 CD2 PHE A 95 19.128 5.564 -14.225 1.00 0.00 C ATOM 51 CE1 PHE A 95 21.527 6.285 -13.071 1.00 0.00 C ATOM 52 CE2 PHE A 95 20.211 5.876 -15.025 1.00 0.00 C ATOM 53 CZ PHE A 95 21.412 6.237 -14.447 1.00 0.00 C ATOM 0 H PHE A 95 19.202 5.443 -9.744 1.00 0.00 H new ATOM 0 HA PHE A 95 17.719 7.305 -11.395 1.00 0.00 H new ATOM 0 HB2 PHE A 95 18.235 4.314 -11.483 1.00 0.00 H new ATOM 0 HB3 PHE A 95 17.173 5.116 -12.623 1.00 0.00 H new ATOM 0 HD1 PHE A 95 20.534 6.012 -11.202 1.00 0.00 H new ATOM 0 HD2 PHE A 95 18.191 5.282 -14.683 1.00 0.00 H new ATOM 0 HE1 PHE A 95 22.465 6.567 -12.616 1.00 0.00 H new ATOM 0 HE2 PHE A 95 20.118 5.838 -16.100 1.00 0.00 H new ATOM 0 HZ PHE A 95 22.260 6.481 -15.070 1.00 0.00 H new ATOM 63 N VAL A 96 15.978 6.764 -9.276 1.00 0.00 N ATOM 64 CA VAL A 96 14.669 6.628 -8.637 1.00 0.00 C ATOM 65 C VAL A 96 14.470 5.227 -8.063 1.00 0.00 C ATOM 66 O VAL A 96 14.857 4.231 -8.674 1.00 0.00 O ATOM 67 CB VAL A 96 13.525 6.938 -9.622 1.00 0.00 C ATOM 68 CG1 VAL A 96 12.173 6.794 -8.939 1.00 0.00 C ATOM 69 CG2 VAL A 96 13.687 8.333 -10.205 1.00 0.00 C ATOM 0 H VAL A 96 16.602 7.427 -8.816 1.00 0.00 H new ATOM 0 HA VAL A 96 14.643 7.353 -7.823 1.00 0.00 H new ATOM 0 HB VAL A 96 13.571 6.218 -10.439 1.00 0.00 H new ATOM 0 HG11 VAL A 96 11.379 7.017 -9.652 1.00 0.00 H new ATOM 0 HG12 VAL A 96 12.056 5.773 -8.574 1.00 0.00 H new ATOM 0 HG13 VAL A 96 12.113 7.488 -8.101 1.00 0.00 H new ATOM 0 HG21 VAL A 96 12.870 8.535 -10.898 1.00 0.00 H new ATOM 0 HG22 VAL A 96 13.670 9.068 -9.400 1.00 0.00 H new ATOM 0 HG23 VAL A 96 14.637 8.398 -10.735 1.00 0.00 H new ATOM 79 N ARG A 97 13.863 5.161 -6.880 1.00 0.00 N ATOM 80 CA ARG A 97 13.610 3.885 -6.215 1.00 0.00 C ATOM 81 C ARG A 97 12.744 4.080 -4.976 1.00 0.00 C ATOM 82 O ARG A 97 13.118 4.805 -4.056 1.00 0.00 O ATOM 83 CB ARG A 97 14.930 3.213 -5.814 1.00 0.00 C ATOM 84 CG ARG A 97 15.729 3.979 -4.764 1.00 0.00 C ATOM 85 CD ARG A 97 16.175 5.348 -5.254 1.00 0.00 C ATOM 86 NE ARG A 97 16.890 6.090 -4.217 1.00 0.00 N ATOM 87 CZ ARG A 97 17.341 7.331 -4.372 1.00 0.00 C ATOM 88 NH1 ARG A 97 17.146 7.974 -5.516 1.00 0.00 N ATOM 89 NH2 ARG A 97 17.984 7.931 -3.380 1.00 0.00 N ATOM 0 H ARG A 97 13.537 5.977 -6.362 1.00 0.00 H new ATOM 0 HA ARG A 97 13.081 3.244 -6.920 1.00 0.00 H new ATOM 0 HB2 ARG A 97 14.715 2.214 -5.433 1.00 0.00 H new ATOM 0 HB3 ARG A 97 15.547 3.089 -6.704 1.00 0.00 H new ATOM 0 HG2 ARG A 97 15.122 4.098 -3.866 1.00 0.00 H new ATOM 0 HG3 ARG A 97 16.605 3.395 -4.482 1.00 0.00 H new ATOM 0 HD2 ARG A 97 16.819 5.230 -6.126 1.00 0.00 H new ATOM 0 HD3 ARG A 97 15.305 5.920 -5.576 1.00 0.00 H new ATOM 0 HE ARG A 97 17.052 5.628 -3.322 1.00 0.00 H new ATOM 0 HH11 ARG A 97 16.649 7.516 -6.280 1.00 0.00 H new ATOM 0 HH12 ARG A 97 17.493 8.926 -5.632 1.00 0.00 H new ATOM 0 HH21 ARG A 97 18.133 7.441 -2.498 1.00 0.00 H new ATOM 0 HH22 ARG A 97 18.330 8.883 -3.499 1.00 0.00 H new ATOM 103 N ILE A 98 11.594 3.410 -4.956 1.00 0.00 N ATOM 104 CA ILE A 98 10.666 3.484 -3.831 1.00 0.00 C ATOM 105 C ILE A 98 9.518 2.498 -4.006 1.00 0.00 C ATOM 106 O ILE A 98 8.371 2.801 -3.677 1.00 0.00 O ATOM 107 CB ILE A 98 10.072 4.901 -3.641 1.00 0.00 C ATOM 108 CG1 ILE A 98 9.851 5.588 -4.994 1.00 0.00 C ATOM 109 CG2 ILE A 98 10.956 5.752 -2.740 1.00 0.00 C ATOM 110 CD1 ILE A 98 8.832 4.896 -5.875 1.00 0.00 C ATOM 0 H ILE A 98 11.281 2.804 -5.714 1.00 0.00 H new ATOM 0 HA ILE A 98 11.249 3.232 -2.945 1.00 0.00 H new ATOM 0 HB ILE A 98 9.103 4.793 -3.153 1.00 0.00 H new ATOM 0 HG12 ILE A 98 9.529 6.615 -4.821 1.00 0.00 H new ATOM 0 HG13 ILE A 98 10.802 5.637 -5.525 1.00 0.00 H new ATOM 0 HG21 ILE A 98 10.513 6.741 -2.625 1.00 0.00 H new ATOM 0 HG22 ILE A 98 11.043 5.278 -1.762 1.00 0.00 H new ATOM 0 HG23 ILE A 98 11.946 5.847 -3.186 1.00 0.00 H new ATOM 0 HD11 ILE A 98 8.732 5.442 -6.813 1.00 0.00 H new ATOM 0 HD12 ILE A 98 9.161 3.877 -6.081 1.00 0.00 H new ATOM 0 HD13 ILE A 98 7.869 4.870 -5.366 1.00 0.00 H new ATOM 122 N CYS A 99 9.841 1.315 -4.517 1.00 0.00 N ATOM 123 CA CYS A 99 8.845 0.274 -4.730 1.00 0.00 C ATOM 124 C CYS A 99 7.767 0.733 -5.712 1.00 0.00 C ATOM 125 O CYS A 99 7.601 1.930 -5.950 1.00 0.00 O ATOM 126 CB CYS A 99 8.223 -0.115 -3.395 1.00 0.00 C ATOM 127 SG CYS A 99 9.433 -0.708 -2.170 1.00 0.00 S ATOM 0 H CYS A 99 10.788 1.054 -4.792 1.00 0.00 H new ATOM 0 HA CYS A 99 9.337 -0.596 -5.165 1.00 0.00 H new ATOM 0 HB2 CYS A 99 7.696 0.746 -2.985 1.00 0.00 H new ATOM 0 HB3 CYS A 99 7.479 -0.893 -3.564 1.00 0.00 H new ATOM 132 N SER A 100 7.050 -0.230 -6.290 1.00 0.00 N ATOM 133 CA SER A 100 5.993 0.063 -7.259 1.00 0.00 C ATOM 134 C SER A 100 5.178 1.289 -6.851 1.00 0.00 C ATOM 135 O SER A 100 4.697 1.383 -5.722 1.00 0.00 O ATOM 136 CB SER A 100 5.070 -1.147 -7.410 1.00 0.00 C ATOM 137 OG SER A 100 4.041 -0.890 -8.351 1.00 0.00 O ATOM 0 H SER A 100 7.182 -1.224 -6.103 1.00 0.00 H new ATOM 0 HA SER A 100 6.470 0.280 -8.215 1.00 0.00 H new ATOM 0 HB2 SER A 100 5.650 -2.013 -7.728 1.00 0.00 H new ATOM 0 HB3 SER A 100 4.630 -1.395 -6.444 1.00 0.00 H new ATOM 0 HG SER A 100 3.466 -1.679 -8.430 1.00 0.00 H new ATOM 143 N LYS A 101 5.032 2.228 -7.781 1.00 0.00 N ATOM 144 CA LYS A 101 4.279 3.453 -7.528 1.00 0.00 C ATOM 145 C LYS A 101 2.774 3.199 -7.568 1.00 0.00 C ATOM 146 O LYS A 101 1.999 3.907 -6.924 1.00 0.00 O ATOM 147 CB LYS A 101 4.653 4.532 -8.548 1.00 0.00 C ATOM 148 CG LYS A 101 3.924 5.850 -8.335 1.00 0.00 C ATOM 149 CD LYS A 101 4.221 6.446 -6.966 1.00 0.00 C ATOM 150 CE LYS A 101 5.692 6.802 -6.813 1.00 0.00 C ATOM 151 NZ LYS A 101 5.987 7.391 -5.478 1.00 0.00 N ATOM 0 H LYS A 101 5.426 2.164 -8.719 1.00 0.00 H new ATOM 0 HA LYS A 101 4.540 3.800 -6.528 1.00 0.00 H new ATOM 0 HB2 LYS A 101 5.727 4.709 -8.500 1.00 0.00 H new ATOM 0 HB3 LYS A 101 4.435 4.164 -9.550 1.00 0.00 H new ATOM 0 HG2 LYS A 101 4.218 6.557 -9.111 1.00 0.00 H new ATOM 0 HG3 LYS A 101 2.850 5.692 -8.437 1.00 0.00 H new ATOM 0 HD2 LYS A 101 3.614 7.339 -6.819 1.00 0.00 H new ATOM 0 HD3 LYS A 101 3.936 5.735 -6.190 1.00 0.00 H new ATOM 0 HE2 LYS A 101 6.298 5.908 -6.957 1.00 0.00 H new ATOM 0 HE3 LYS A 101 5.977 7.509 -7.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 6.971 7.728 -5.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 5.344 8.189 -5.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 5.853 6.668 -4.742 1.00 0.00 H new ATOM 165 N SER A 102 2.368 2.194 -8.338 1.00 0.00 N ATOM 166 CA SER A 102 0.955 1.855 -8.474 1.00 0.00 C ATOM 167 C SER A 102 0.300 1.650 -7.111 1.00 0.00 C ATOM 168 O SER A 102 -0.847 2.044 -6.901 1.00 0.00 O ATOM 169 CB SER A 102 0.794 0.593 -9.326 1.00 0.00 C ATOM 170 OG SER A 102 1.327 0.784 -10.625 1.00 0.00 O ATOM 0 H SER A 102 2.998 1.600 -8.878 1.00 0.00 H new ATOM 0 HA SER A 102 0.457 2.689 -8.968 1.00 0.00 H new ATOM 0 HB2 SER A 102 1.298 -0.243 -8.842 1.00 0.00 H new ATOM 0 HB3 SER A 102 -0.262 0.331 -9.397 1.00 0.00 H new ATOM 0 HG SER A 102 1.214 -0.036 -11.149 1.00 0.00 H new ATOM 176 N TYR A 103 1.033 1.038 -6.188 1.00 0.00 N ATOM 177 CA TYR A 103 0.518 0.788 -4.845 1.00 0.00 C ATOM 178 C TYR A 103 0.168 2.093 -4.134 1.00 0.00 C ATOM 179 O TYR A 103 -0.833 2.169 -3.421 1.00 0.00 O ATOM 180 CB TYR A 103 1.532 -0.004 -4.016 1.00 0.00 C ATOM 181 CG TYR A 103 1.665 -1.453 -4.431 1.00 0.00 C ATOM 182 CD1 TYR A 103 1.864 -1.807 -5.760 1.00 0.00 C ATOM 183 CD2 TYR A 103 1.590 -2.470 -3.487 1.00 0.00 C ATOM 184 CE1 TYR A 103 1.985 -3.132 -6.136 1.00 0.00 C ATOM 185 CE2 TYR A 103 1.711 -3.797 -3.855 1.00 0.00 C ATOM 186 CZ TYR A 103 1.908 -4.122 -5.180 1.00 0.00 C ATOM 187 OH TYR A 103 2.027 -5.442 -5.551 1.00 0.00 O ATOM 0 H TYR A 103 1.985 0.706 -6.344 1.00 0.00 H new ATOM 0 HA TYR A 103 -0.393 0.198 -4.946 1.00 0.00 H new ATOM 0 HB2 TYR A 103 2.507 0.477 -4.096 1.00 0.00 H new ATOM 0 HB3 TYR A 103 1.240 0.038 -2.967 1.00 0.00 H new ATOM 0 HD1 TYR A 103 1.925 -1.034 -6.512 1.00 0.00 H new ATOM 0 HD2 TYR A 103 1.435 -2.219 -2.448 1.00 0.00 H new ATOM 0 HE1 TYR A 103 2.139 -3.390 -7.173 1.00 0.00 H new ATOM 0 HE2 TYR A 103 1.651 -4.575 -3.108 1.00 0.00 H new ATOM 0 HH TYR A 103 2.795 -5.843 -5.093 1.00 0.00 H new ATOM 197 N LEU A 104 0.999 3.114 -4.326 1.00 0.00 N ATOM 198 CA LEU A 104 0.779 4.411 -3.700 1.00 0.00 C ATOM 199 C LEU A 104 -0.623 4.936 -3.995 1.00 0.00 C ATOM 200 O LEU A 104 -1.296 5.465 -3.110 1.00 0.00 O ATOM 201 CB LEU A 104 1.829 5.409 -4.189 1.00 0.00 C ATOM 202 CG LEU A 104 3.261 5.150 -3.705 1.00 0.00 C ATOM 203 CD1 LEU A 104 3.368 5.388 -2.206 1.00 0.00 C ATOM 204 CD2 LEU A 104 3.728 3.747 -4.060 1.00 0.00 C ATOM 0 H LEU A 104 1.833 3.066 -4.912 1.00 0.00 H new ATOM 0 HA LEU A 104 0.872 4.289 -2.621 1.00 0.00 H new ATOM 0 HB2 LEU A 104 1.827 5.408 -5.279 1.00 0.00 H new ATOM 0 HB3 LEU A 104 1.531 6.408 -3.871 1.00 0.00 H new ATOM 0 HG LEU A 104 3.916 5.853 -4.219 1.00 0.00 H new ATOM 0 HD11 LEU A 104 4.391 5.200 -1.880 1.00 0.00 H new ATOM 0 HD12 LEU A 104 3.100 6.420 -1.981 1.00 0.00 H new ATOM 0 HD13 LEU A 104 2.690 4.715 -1.681 1.00 0.00 H new ATOM 0 HD21 LEU A 104 4.747 3.601 -3.701 1.00 0.00 H new ATOM 0 HD22 LEU A 104 3.070 3.015 -3.592 1.00 0.00 H new ATOM 0 HD23 LEU A 104 3.703 3.618 -5.142 1.00 0.00 H new ATOM 216 N THR A 105 -1.061 4.783 -5.241 1.00 0.00 N ATOM 217 CA THR A 105 -2.386 5.237 -5.645 1.00 0.00 C ATOM 218 C THR A 105 -3.404 4.109 -5.505 1.00 0.00 C ATOM 219 O THR A 105 -3.099 2.949 -5.785 1.00 0.00 O ATOM 220 CB THR A 105 -2.389 5.748 -7.099 1.00 0.00 C ATOM 221 OG1 THR A 105 -1.424 6.795 -7.251 1.00 0.00 O ATOM 222 CG2 THR A 105 -3.767 6.266 -7.489 1.00 0.00 C ATOM 0 H THR A 105 -0.518 4.349 -5.987 1.00 0.00 H new ATOM 0 HA THR A 105 -2.661 6.061 -4.987 1.00 0.00 H new ATOM 0 HB THR A 105 -2.131 4.915 -7.753 1.00 0.00 H new ATOM 0 HG1 THR A 105 -1.430 7.114 -8.178 1.00 0.00 H new ATOM 0 HG21 THR A 105 -3.744 6.621 -8.519 1.00 0.00 H new ATOM 0 HG22 THR A 105 -4.497 5.462 -7.399 1.00 0.00 H new ATOM 0 HG23 THR A 105 -4.048 7.086 -6.829 1.00 0.00 H new ATOM 230 N LEU A 106 -4.608 4.449 -5.058 1.00 0.00 N ATOM 231 CA LEU A 106 -5.657 3.454 -4.868 1.00 0.00 C ATOM 232 C LEU A 106 -7.019 4.027 -5.258 1.00 0.00 C ATOM 233 O LEU A 106 -7.418 5.087 -4.778 1.00 0.00 O ATOM 234 CB LEU A 106 -5.665 2.993 -3.404 1.00 0.00 C ATOM 235 CG LEU A 106 -6.394 1.676 -3.114 1.00 0.00 C ATOM 236 CD1 LEU A 106 -6.112 1.220 -1.692 1.00 0.00 C ATOM 237 CD2 LEU A 106 -7.890 1.817 -3.331 1.00 0.00 C ATOM 0 H LEU A 106 -4.881 5.403 -4.821 1.00 0.00 H new ATOM 0 HA LEU A 106 -5.457 2.597 -5.511 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -4.632 2.894 -3.070 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -6.121 3.777 -2.800 1.00 0.00 H new ATOM 0 HG LEU A 106 -6.020 0.925 -3.810 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -6.636 0.284 -1.500 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -5.040 1.069 -1.564 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -6.458 1.980 -0.991 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -8.380 0.867 -3.118 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -8.283 2.586 -2.666 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -8.082 2.100 -4.366 1.00 0.00 H new ATOM 249 N GLU A 107 -7.727 3.314 -6.134 1.00 0.00 N ATOM 250 CA GLU A 107 -9.045 3.748 -6.591 1.00 0.00 C ATOM 251 C GLU A 107 -10.057 3.700 -5.451 1.00 0.00 C ATOM 252 O GLU A 107 -10.198 2.679 -4.779 1.00 0.00 O ATOM 253 CB GLU A 107 -9.519 2.868 -7.750 1.00 0.00 C ATOM 254 CG GLU A 107 -10.909 3.220 -8.258 1.00 0.00 C ATOM 255 CD GLU A 107 -11.007 4.650 -8.750 1.00 0.00 C ATOM 256 OE1 GLU A 107 -10.268 5.007 -9.690 1.00 0.00 O ATOM 257 OE2 GLU A 107 -11.826 5.414 -8.195 1.00 0.00 O ATOM 0 H GLU A 107 -7.409 2.434 -6.540 1.00 0.00 H new ATOM 0 HA GLU A 107 -8.964 4.779 -6.937 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -8.809 2.953 -8.573 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -9.512 1.826 -7.430 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -11.178 2.542 -9.068 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -11.634 3.065 -7.459 1.00 0.00 H new ATOM 264 N ASN A 108 -10.759 4.809 -5.239 1.00 0.00 N ATOM 265 CA ASN A 108 -11.754 4.891 -4.176 1.00 0.00 C ATOM 266 C ASN A 108 -11.110 4.657 -2.814 1.00 0.00 C ATOM 267 O ASN A 108 -11.711 4.046 -1.931 1.00 0.00 O ATOM 268 CB ASN A 108 -12.873 3.871 -4.408 1.00 0.00 C ATOM 269 CG ASN A 108 -13.788 4.266 -5.551 1.00 0.00 C ATOM 270 OD1 ASN A 108 -13.880 3.409 -6.560 1.00 0.00 O flip ATOM 271 ND2 ASN A 108 -14.407 5.329 -5.524 1.00 0.00 N flip ATOM 0 H ASN A 108 -10.657 5.662 -5.789 1.00 0.00 H new ATOM 0 HA ASN A 108 -12.182 5.893 -4.191 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -12.434 2.896 -4.618 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -13.460 3.766 -3.496 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -14.306 5.958 -4.727 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -15.021 5.581 -6.298 1.00 0.00 H new ATOM 278 N GLY A 109 -9.885 5.149 -2.648 1.00 0.00 N ATOM 279 CA GLY A 109 -9.190 4.979 -1.388 1.00 0.00 C ATOM 280 C GLY A 109 -7.839 5.665 -1.358 1.00 0.00 C ATOM 281 O GLY A 109 -7.441 6.320 -2.322 1.00 0.00 O ATOM 0 H GLY A 109 -9.365 5.660 -3.361 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -9.809 5.373 -0.582 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -9.055 3.915 -1.195 1.00 0.00 H new ATOM 285 N LYS A 110 -7.134 5.510 -0.243 1.00 0.00 N ATOM 286 CA LYS A 110 -5.818 6.112 -0.066 1.00 0.00 C ATOM 287 C LYS A 110 -4.895 5.177 0.709 1.00 0.00 C ATOM 288 O LYS A 110 -5.338 4.461 1.607 1.00 0.00 O ATOM 289 CB LYS A 110 -5.940 7.450 0.663 1.00 0.00 C ATOM 290 CG LYS A 110 -6.634 7.346 2.013 1.00 0.00 C ATOM 291 CD LYS A 110 -6.726 8.698 2.703 1.00 0.00 C ATOM 292 CE LYS A 110 -5.349 9.251 3.038 1.00 0.00 C ATOM 293 NZ LYS A 110 -4.602 8.354 3.962 1.00 0.00 N ATOM 0 H LYS A 110 -7.456 4.967 0.559 1.00 0.00 H new ATOM 0 HA LYS A 110 -5.387 6.284 -1.052 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -4.944 7.868 0.807 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -6.491 8.149 0.033 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -7.635 6.938 1.877 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -6.089 6.649 2.650 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -7.254 9.401 2.058 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -7.312 8.602 3.617 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -4.777 9.384 2.119 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -5.454 10.236 3.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -4.244 8.906 4.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -5.237 7.606 4.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -3.803 7.922 3.456 1.00 0.00 H new ATOM 307 N VAL A 111 -3.614 5.188 0.360 1.00 0.00 N ATOM 308 CA VAL A 111 -2.637 4.338 1.029 1.00 0.00 C ATOM 309 C VAL A 111 -1.762 5.155 1.974 1.00 0.00 C ATOM 310 O VAL A 111 -1.142 6.138 1.569 1.00 0.00 O ATOM 311 CB VAL A 111 -1.740 3.608 0.012 1.00 0.00 C ATOM 312 CG1 VAL A 111 -0.722 2.730 0.723 1.00 0.00 C ATOM 313 CG2 VAL A 111 -2.585 2.785 -0.947 1.00 0.00 C ATOM 0 H VAL A 111 -3.229 5.774 -0.380 1.00 0.00 H new ATOM 0 HA VAL A 111 -3.195 3.598 1.603 1.00 0.00 H new ATOM 0 HB VAL A 111 -1.196 4.356 -0.565 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -0.099 2.224 -0.015 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -0.094 3.348 1.365 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -1.242 1.988 1.329 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -1.936 2.276 -1.659 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -3.158 2.047 -0.386 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -3.269 3.442 -1.485 1.00 0.00 H new ATOM 323 N PHE A 112 -1.721 4.742 3.237 1.00 0.00 N ATOM 324 CA PHE A 112 -0.927 5.435 4.246 1.00 0.00 C ATOM 325 C PHE A 112 0.559 5.126 4.082 1.00 0.00 C ATOM 326 O PHE A 112 0.958 3.962 4.033 1.00 0.00 O ATOM 327 CB PHE A 112 -1.387 5.038 5.654 1.00 0.00 C ATOM 328 CG PHE A 112 -2.791 5.468 5.992 1.00 0.00 C ATOM 329 CD1 PHE A 112 -3.849 5.183 5.142 1.00 0.00 C ATOM 330 CD2 PHE A 112 -3.050 6.153 7.168 1.00 0.00 C ATOM 331 CE1 PHE A 112 -5.136 5.575 5.457 1.00 0.00 C ATOM 332 CE2 PHE A 112 -4.335 6.547 7.489 1.00 0.00 C ATOM 333 CZ PHE A 112 -5.379 6.258 6.633 1.00 0.00 C ATOM 0 H PHE A 112 -2.229 3.930 3.587 1.00 0.00 H new ATOM 0 HA PHE A 112 -1.075 6.506 4.110 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -1.317 3.955 5.754 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -0.702 5.471 6.383 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -3.665 4.648 4.222 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -2.238 6.382 7.842 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -5.950 5.348 4.785 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -4.523 7.081 8.409 1.00 0.00 H new ATOM 0 HZ PHE A 112 -6.384 6.565 6.882 1.00 0.00 H new ATOM 343 N LEU A 113 1.371 6.175 4.007 1.00 0.00 N ATOM 344 CA LEU A 113 2.815 6.019 3.858 1.00 0.00 C ATOM 345 C LEU A 113 3.492 5.975 5.224 1.00 0.00 C ATOM 346 O LEU A 113 3.085 6.674 6.153 1.00 0.00 O ATOM 347 CB LEU A 113 3.385 7.165 3.003 1.00 0.00 C ATOM 348 CG LEU A 113 4.880 7.073 2.650 1.00 0.00 C ATOM 349 CD1 LEU A 113 5.752 7.449 3.841 1.00 0.00 C ATOM 350 CD2 LEU A 113 5.230 5.677 2.152 1.00 0.00 C ATOM 0 H LEU A 113 1.054 7.144 4.047 1.00 0.00 H new ATOM 0 HA LEU A 113 3.016 5.075 3.351 1.00 0.00 H new ATOM 0 HB2 LEU A 113 2.816 7.215 2.074 1.00 0.00 H new ATOM 0 HB3 LEU A 113 3.215 8.103 3.531 1.00 0.00 H new ATOM 0 HG LEU A 113 5.078 7.786 1.850 1.00 0.00 H new ATOM 0 HD11 LEU A 113 6.803 7.374 3.561 1.00 0.00 H new ATOM 0 HD12 LEU A 113 5.530 8.471 4.146 1.00 0.00 H new ATOM 0 HD13 LEU A 113 5.549 6.771 4.669 1.00 0.00 H new ATOM 0 HD21 LEU A 113 6.291 5.633 1.908 1.00 0.00 H new ATOM 0 HD22 LEU A 113 5.006 4.947 2.929 1.00 0.00 H new ATOM 0 HD23 LEU A 113 4.643 5.451 1.262 1.00 0.00 H new ATOM 362 N THR A 114 4.528 5.151 5.339 1.00 0.00 N ATOM 363 CA THR A 114 5.266 5.014 6.589 1.00 0.00 C ATOM 364 C THR A 114 6.684 4.509 6.323 1.00 0.00 C ATOM 365 O THR A 114 7.070 3.427 6.766 1.00 0.00 O ATOM 366 CB THR A 114 4.554 4.058 7.568 1.00 0.00 C ATOM 367 OG1 THR A 114 3.196 4.475 7.757 1.00 0.00 O ATOM 368 CG2 THR A 114 5.263 4.030 8.914 1.00 0.00 C ATOM 0 H THR A 114 4.876 4.566 4.579 1.00 0.00 H new ATOM 0 HA THR A 114 5.312 6.002 7.047 1.00 0.00 H new ATOM 0 HB THR A 114 4.577 3.056 7.139 1.00 0.00 H new ATOM 0 HG1 THR A 114 2.749 3.863 8.378 1.00 0.00 H new ATOM 0 HG21 THR A 114 4.741 3.349 9.586 1.00 0.00 H new ATOM 0 HG22 THR A 114 6.290 3.690 8.778 1.00 0.00 H new ATOM 0 HG23 THR A 114 5.267 5.032 9.344 1.00 0.00 H new ATOM 376 N GLY A 115 7.451 5.305 5.583 1.00 0.00 N ATOM 377 CA GLY A 115 8.814 4.938 5.253 1.00 0.00 C ATOM 378 C GLY A 115 9.645 6.140 4.854 1.00 0.00 C ATOM 379 O GLY A 115 10.086 6.909 5.710 1.00 0.00 O ATOM 0 H GLY A 115 7.149 6.203 5.205 1.00 0.00 H new ATOM 0 HA2 GLY A 115 9.275 4.447 6.110 1.00 0.00 H new ATOM 0 HA3 GLY A 115 8.807 4.215 4.437 1.00 0.00 H new ATOM 383 N GLY A 116 9.860 6.306 3.553 1.00 0.00 N ATOM 384 CA GLY A 116 10.643 7.430 3.072 1.00 0.00 C ATOM 385 C GLY A 116 10.891 7.383 1.576 1.00 0.00 C ATOM 386 O GLY A 116 9.957 7.239 0.787 1.00 0.00 O ATOM 0 H GLY A 116 9.507 5.685 2.825 1.00 0.00 H new ATOM 0 HA2 GLY A 116 10.127 8.358 3.320 1.00 0.00 H new ATOM 0 HA3 GLY A 116 11.600 7.448 3.593 1.00 0.00 H new ATOM 390 N ASP A 117 12.159 7.513 1.184 1.00 0.00 N ATOM 391 CA ASP A 117 12.533 7.492 -0.229 1.00 0.00 C ATOM 392 C ASP A 117 14.012 7.148 -0.399 1.00 0.00 C ATOM 393 O ASP A 117 14.737 7.817 -1.137 1.00 0.00 O ATOM 394 CB ASP A 117 12.228 8.844 -0.879 1.00 0.00 C ATOM 395 CG ASP A 117 12.955 9.993 -0.206 1.00 0.00 C ATOM 396 OD1 ASP A 117 13.678 9.746 0.782 1.00 0.00 O ATOM 397 OD2 ASP A 117 12.800 11.144 -0.668 1.00 0.00 O ATOM 0 H ASP A 117 12.943 7.634 1.825 1.00 0.00 H new ATOM 0 HA ASP A 117 11.944 6.720 -0.724 1.00 0.00 H new ATOM 0 HB2 ASP A 117 12.509 8.808 -1.932 1.00 0.00 H new ATOM 0 HB3 ASP A 117 11.154 9.027 -0.842 1.00 0.00 H new ATOM 402 N LEU A 118 14.446 6.097 0.284 1.00 0.00 N ATOM 403 CA LEU A 118 15.830 5.642 0.218 1.00 0.00 C ATOM 404 C LEU A 118 15.954 4.470 -0.750 1.00 0.00 C ATOM 405 O LEU A 118 14.950 3.856 -1.111 1.00 0.00 O ATOM 406 CB LEU A 118 16.327 5.233 1.609 1.00 0.00 C ATOM 407 CG LEU A 118 16.497 6.382 2.610 1.00 0.00 C ATOM 408 CD1 LEU A 118 15.163 7.056 2.895 1.00 0.00 C ATOM 409 CD2 LEU A 118 17.125 5.875 3.898 1.00 0.00 C ATOM 0 H LEU A 118 13.853 5.538 0.897 1.00 0.00 H new ATOM 0 HA LEU A 118 16.448 6.464 -0.144 1.00 0.00 H new ATOM 0 HB2 LEU A 118 15.628 4.509 2.028 1.00 0.00 H new ATOM 0 HB3 LEU A 118 17.285 4.724 1.499 1.00 0.00 H new ATOM 0 HG LEU A 118 17.162 7.123 2.168 1.00 0.00 H new ATOM 0 HD11 LEU A 118 15.310 7.867 3.608 1.00 0.00 H new ATOM 0 HD12 LEU A 118 14.753 7.457 1.968 1.00 0.00 H new ATOM 0 HD13 LEU A 118 14.469 6.327 3.314 1.00 0.00 H new ATOM 0 HD21 LEU A 118 17.239 6.703 4.598 1.00 0.00 H new ATOM 0 HD22 LEU A 118 16.484 5.112 4.340 1.00 0.00 H new ATOM 0 HD23 LEU A 118 18.103 5.446 3.681 1.00 0.00 H new ATOM 421 N PRO A 119 17.186 4.144 -1.191 1.00 0.00 N ATOM 422 CA PRO A 119 17.419 3.042 -2.122 1.00 0.00 C ATOM 423 C PRO A 119 16.543 1.833 -1.814 1.00 0.00 C ATOM 424 O PRO A 119 16.778 1.115 -0.841 1.00 0.00 O ATOM 425 CB PRO A 119 18.892 2.716 -1.894 1.00 0.00 C ATOM 426 CG PRO A 119 19.511 4.024 -1.527 1.00 0.00 C ATOM 427 CD PRO A 119 18.441 4.825 -0.822 1.00 0.00 C ATOM 0 HA PRO A 119 17.178 3.305 -3.152 1.00 0.00 H new ATOM 0 HB2 PRO A 119 19.018 1.980 -1.099 1.00 0.00 H new ATOM 0 HB3 PRO A 119 19.350 2.298 -2.791 1.00 0.00 H new ATOM 0 HG2 PRO A 119 20.374 3.876 -0.879 1.00 0.00 H new ATOM 0 HG3 PRO A 119 19.865 4.548 -2.415 1.00 0.00 H new ATOM 0 HD2 PRO A 119 18.591 4.829 0.258 1.00 0.00 H new ATOM 0 HD3 PRO A 119 18.441 5.865 -1.147 1.00 0.00 H new ATOM 435 N ALA A 120 15.525 1.627 -2.653 1.00 0.00 N ATOM 436 CA ALA A 120 14.585 0.521 -2.493 1.00 0.00 C ATOM 437 C ALA A 120 13.639 0.749 -1.315 1.00 0.00 C ATOM 438 O ALA A 120 12.487 0.314 -1.348 1.00 0.00 O ATOM 439 CB ALA A 120 15.322 -0.798 -2.331 1.00 0.00 C ATOM 0 H ALA A 120 15.332 2.221 -3.459 1.00 0.00 H new ATOM 0 HA ALA A 120 13.983 0.475 -3.400 1.00 0.00 H new ATOM 0 HB1 ALA A 120 14.600 -1.606 -2.214 1.00 0.00 H new ATOM 0 HB2 ALA A 120 15.934 -0.984 -3.214 1.00 0.00 H new ATOM 0 HB3 ALA A 120 15.961 -0.752 -1.449 1.00 0.00 H new ATOM 445 N LEU A 121 14.127 1.425 -0.276 1.00 0.00 N ATOM 446 CA LEU A 121 13.322 1.698 0.904 1.00 0.00 C ATOM 447 C LEU A 121 12.785 0.397 1.488 1.00 0.00 C ATOM 448 O LEU A 121 11.598 0.278 1.791 1.00 0.00 O ATOM 449 CB LEU A 121 12.170 2.643 0.561 1.00 0.00 C ATOM 450 CG LEU A 121 11.399 3.176 1.770 1.00 0.00 C ATOM 451 CD1 LEU A 121 12.347 3.892 2.720 1.00 0.00 C ATOM 452 CD2 LEU A 121 10.279 4.101 1.324 1.00 0.00 C ATOM 0 H LEU A 121 15.078 1.792 -0.232 1.00 0.00 H new ATOM 0 HA LEU A 121 13.953 2.182 1.650 1.00 0.00 H new ATOM 0 HB2 LEU A 121 12.567 3.488 -0.001 1.00 0.00 H new ATOM 0 HB3 LEU A 121 11.474 2.122 -0.096 1.00 0.00 H new ATOM 0 HG LEU A 121 10.950 2.335 2.298 1.00 0.00 H new ATOM 0 HD11 LEU A 121 11.788 4.268 3.577 1.00 0.00 H new ATOM 0 HD12 LEU A 121 13.113 3.196 3.063 1.00 0.00 H new ATOM 0 HD13 LEU A 121 12.820 4.726 2.202 1.00 0.00 H new ATOM 0 HD21 LEU A 121 9.742 4.470 2.198 1.00 0.00 H new ATOM 0 HD22 LEU A 121 10.700 4.943 0.774 1.00 0.00 H new ATOM 0 HD23 LEU A 121 9.591 3.554 0.679 1.00 0.00 H new ATOM 464 N ASP A 122 13.672 -0.581 1.633 1.00 0.00 N ATOM 465 CA ASP A 122 13.296 -1.880 2.171 1.00 0.00 C ATOM 466 C ASP A 122 12.620 -1.733 3.528 1.00 0.00 C ATOM 467 O ASP A 122 13.069 -0.969 4.382 1.00 0.00 O ATOM 468 CB ASP A 122 14.526 -2.782 2.292 1.00 0.00 C ATOM 469 CG ASP A 122 14.177 -4.186 2.749 1.00 0.00 C ATOM 470 OD1 ASP A 122 13.650 -4.334 3.871 1.00 0.00 O ATOM 471 OD2 ASP A 122 14.428 -5.138 1.981 1.00 0.00 O ATOM 0 H ASP A 122 14.658 -0.497 1.385 1.00 0.00 H new ATOM 0 HA ASP A 122 12.586 -2.338 1.482 1.00 0.00 H new ATOM 0 HB2 ASP A 122 15.031 -2.833 1.327 1.00 0.00 H new ATOM 0 HB3 ASP A 122 15.229 -2.339 2.997 1.00 0.00 H new ATOM 476 N GLY A 123 11.536 -2.475 3.715 1.00 0.00 N ATOM 477 CA GLY A 123 10.801 -2.428 4.963 1.00 0.00 C ATOM 478 C GLY A 123 9.934 -1.190 5.099 1.00 0.00 C ATOM 479 O GLY A 123 9.712 -0.702 6.207 1.00 0.00 O ATOM 0 H GLY A 123 11.151 -3.113 3.019 1.00 0.00 H new ATOM 0 HA2 GLY A 123 10.172 -3.315 5.040 1.00 0.00 H new ATOM 0 HA3 GLY A 123 11.506 -2.464 5.794 1.00 0.00 H new ATOM 483 N ALA A 124 9.423 -0.691 3.975 1.00 0.00 N ATOM 484 CA ALA A 124 8.555 0.482 3.993 1.00 0.00 C ATOM 485 C ALA A 124 7.138 0.076 4.380 1.00 0.00 C ATOM 486 O ALA A 124 6.515 -0.745 3.708 1.00 0.00 O ATOM 487 CB ALA A 124 8.564 1.179 2.640 1.00 0.00 C ATOM 0 H ALA A 124 9.594 -1.078 3.047 1.00 0.00 H new ATOM 0 HA ALA A 124 8.933 1.185 4.736 1.00 0.00 H new ATOM 0 HB1 ALA A 124 7.910 2.051 2.675 1.00 0.00 H new ATOM 0 HB2 ALA A 124 9.579 1.496 2.401 1.00 0.00 H new ATOM 0 HB3 ALA A 124 8.209 0.490 1.874 1.00 0.00 H new ATOM 493 N ARG A 125 6.642 0.635 5.476 1.00 0.00 N ATOM 494 CA ARG A 125 5.306 0.309 5.962 1.00 0.00 C ATOM 495 C ARG A 125 4.226 1.140 5.276 1.00 0.00 C ATOM 496 O ARG A 125 4.356 2.357 5.140 1.00 0.00 O ATOM 497 CB ARG A 125 5.241 0.513 7.476 1.00 0.00 C ATOM 498 CG ARG A 125 6.278 -0.296 8.235 1.00 0.00 C ATOM 499 CD ARG A 125 6.211 -0.036 9.730 1.00 0.00 C ATOM 500 NE ARG A 125 7.219 -0.801 10.462 1.00 0.00 N ATOM 501 CZ ARG A 125 7.249 -2.131 10.508 1.00 0.00 C ATOM 502 NH1 ARG A 125 6.316 -2.842 9.888 1.00 0.00 N ATOM 503 NH2 ARG A 125 8.211 -2.750 11.179 1.00 0.00 N ATOM 0 H ARG A 125 7.144 1.316 6.046 1.00 0.00 H new ATOM 0 HA ARG A 125 5.114 -0.737 5.722 1.00 0.00 H new ATOM 0 HB2 ARG A 125 5.380 1.571 7.700 1.00 0.00 H new ATOM 0 HB3 ARG A 125 4.247 0.240 7.830 1.00 0.00 H new ATOM 0 HG2 ARG A 125 6.123 -1.358 8.043 1.00 0.00 H new ATOM 0 HG3 ARG A 125 7.274 -0.048 7.867 1.00 0.00 H new ATOM 0 HD2 ARG A 125 6.354 1.028 9.920 1.00 0.00 H new ATOM 0 HD3 ARG A 125 5.219 -0.296 10.100 1.00 0.00 H new ATOM 0 HE ARG A 125 7.941 -0.286 10.966 1.00 0.00 H new ATOM 0 HH11 ARG A 125 5.572 -2.370 9.374 1.00 0.00 H new ATOM 0 HH12 ARG A 125 6.342 -3.861 9.925 1.00 0.00 H new ATOM 0 HH21 ARG A 125 8.928 -2.207 11.660 1.00 0.00 H new ATOM 0 HH22 ARG A 125 8.234 -3.769 11.214 1.00 0.00 H new ATOM 517 N VAL A 126 3.151 0.471 4.866 1.00 0.00 N ATOM 518 CA VAL A 126 2.029 1.136 4.213 1.00 0.00 C ATOM 519 C VAL A 126 0.726 0.401 4.514 1.00 0.00 C ATOM 520 O VAL A 126 0.661 -0.829 4.433 1.00 0.00 O ATOM 521 CB VAL A 126 2.209 1.218 2.683 1.00 0.00 C ATOM 522 CG1 VAL A 126 3.402 2.089 2.324 1.00 0.00 C ATOM 523 CG2 VAL A 126 2.355 -0.172 2.088 1.00 0.00 C ATOM 0 H VAL A 126 3.034 -0.536 4.976 1.00 0.00 H new ATOM 0 HA VAL A 126 1.992 2.150 4.611 1.00 0.00 H new ATOM 0 HB VAL A 126 1.317 1.679 2.258 1.00 0.00 H new ATOM 0 HG11 VAL A 126 3.508 2.131 1.240 1.00 0.00 H new ATOM 0 HG12 VAL A 126 3.248 3.095 2.713 1.00 0.00 H new ATOM 0 HG13 VAL A 126 4.306 1.666 2.761 1.00 0.00 H new ATOM 0 HG21 VAL A 126 2.481 -0.094 1.008 1.00 0.00 H new ATOM 0 HG22 VAL A 126 3.227 -0.663 2.521 1.00 0.00 H new ATOM 0 HG23 VAL A 126 1.462 -0.757 2.308 1.00 0.00 H new ATOM 533 N GLU A 127 -0.307 1.162 4.866 1.00 0.00 N ATOM 534 CA GLU A 127 -1.606 0.581 5.181 1.00 0.00 C ATOM 535 C GLU A 127 -2.655 1.005 4.160 1.00 0.00 C ATOM 536 O GLU A 127 -3.025 2.177 4.085 1.00 0.00 O ATOM 537 CB GLU A 127 -2.049 0.999 6.584 1.00 0.00 C ATOM 538 CG GLU A 127 -3.395 0.422 6.994 1.00 0.00 C ATOM 539 CD GLU A 127 -3.843 0.898 8.362 1.00 0.00 C ATOM 540 OE1 GLU A 127 -4.008 2.124 8.539 1.00 0.00 O ATOM 541 OE2 GLU A 127 -4.028 0.046 9.256 1.00 0.00 O ATOM 0 H GLU A 127 -0.269 2.179 4.940 1.00 0.00 H new ATOM 0 HA GLU A 127 -1.507 -0.504 5.145 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -1.293 0.684 7.304 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -2.100 2.087 6.631 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -4.145 0.699 6.254 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -3.334 -0.666 6.994 1.00 0.00 H new ATOM 548 N PHE A 128 -3.136 0.044 3.381 1.00 0.00 N ATOM 549 CA PHE A 128 -4.150 0.315 2.372 1.00 0.00 C ATOM 550 C PHE A 128 -5.534 0.387 3.007 1.00 0.00 C ATOM 551 O PHE A 128 -5.884 -0.440 3.850 1.00 0.00 O ATOM 552 CB PHE A 128 -4.130 -0.762 1.281 1.00 0.00 C ATOM 553 CG PHE A 128 -2.851 -0.807 0.490 1.00 0.00 C ATOM 554 CD1 PHE A 128 -1.633 -1.004 1.120 1.00 0.00 C ATOM 555 CD2 PHE A 128 -2.869 -0.650 -0.887 1.00 0.00 C ATOM 556 CE1 PHE A 128 -0.459 -1.045 0.394 1.00 0.00 C ATOM 557 CE2 PHE A 128 -1.697 -0.690 -1.618 1.00 0.00 C ATOM 558 CZ PHE A 128 -0.491 -0.887 -0.977 1.00 0.00 C ATOM 0 H PHE A 128 -2.839 -0.931 3.429 1.00 0.00 H new ATOM 0 HA PHE A 128 -3.923 1.279 1.916 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -4.294 -1.736 1.743 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -4.962 -0.589 0.598 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -1.601 -1.127 2.192 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -3.810 -0.495 -1.394 1.00 0.00 H new ATOM 0 HE1 PHE A 128 0.483 -1.201 0.898 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -1.725 -0.567 -2.691 1.00 0.00 H new ATOM 0 HZ PHE A 128 0.426 -0.918 -1.547 1.00 0.00 H new ATOM 568 N ARG A 129 -6.316 1.376 2.595 1.00 0.00 N ATOM 569 CA ARG A 129 -7.664 1.556 3.121 1.00 0.00 C ATOM 570 C ARG A 129 -8.455 2.508 2.235 1.00 0.00 C ATOM 571 O ARG A 129 -7.968 3.576 1.864 1.00 0.00 O ATOM 572 CB ARG A 129 -7.611 2.085 4.556 1.00 0.00 C ATOM 573 CG ARG A 129 -8.976 2.250 5.192 1.00 0.00 C ATOM 574 CD ARG A 129 -8.869 2.705 6.638 1.00 0.00 C ATOM 575 NE ARG A 129 -10.181 2.885 7.254 1.00 0.00 N ATOM 576 CZ ARG A 129 -10.360 3.265 8.514 1.00 0.00 C ATOM 577 NH1 ARG A 129 -9.314 3.502 9.295 1.00 0.00 N ATOM 578 NH2 ARG A 129 -11.586 3.411 8.997 1.00 0.00 N ATOM 0 H ARG A 129 -6.040 2.067 1.897 1.00 0.00 H new ATOM 0 HA ARG A 129 -8.166 0.588 3.127 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -7.016 1.403 5.164 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -7.098 3.047 4.561 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -9.557 2.976 4.624 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -9.516 1.304 5.147 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -8.299 1.971 7.208 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -8.316 3.643 6.683 1.00 0.00 H new ATOM 0 HE ARG A 129 -11.008 2.709 6.683 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -8.369 3.393 8.928 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -9.455 3.794 10.262 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -12.394 3.231 8.401 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -11.721 3.703 9.965 1.00 0.00 H new ATOM 592 N CYS A 130 -9.671 2.107 1.884 1.00 0.00 N ATOM 593 CA CYS A 130 -10.522 2.919 1.021 1.00 0.00 C ATOM 594 C CYS A 130 -11.389 3.897 1.809 1.00 0.00 C ATOM 595 O CYS A 130 -11.652 3.706 2.997 1.00 0.00 O ATOM 596 CB CYS A 130 -11.389 2.023 0.137 1.00 0.00 C ATOM 597 SG CYS A 130 -10.484 1.301 -1.271 1.00 0.00 S ATOM 0 H CYS A 130 -10.090 1.226 2.183 1.00 0.00 H new ATOM 0 HA CYS A 130 -9.864 3.517 0.390 1.00 0.00 H new ATOM 0 HB2 CYS A 130 -11.804 1.218 0.744 1.00 0.00 H new ATOM 0 HB3 CYS A 130 -12.231 2.603 -0.241 1.00 0.00 H new ATOM 602 N ASP A 131 -11.812 4.956 1.121 1.00 0.00 N ATOM 603 CA ASP A 131 -12.641 6.005 1.711 1.00 0.00 C ATOM 604 C ASP A 131 -13.883 5.436 2.395 1.00 0.00 C ATOM 605 O ASP A 131 -14.301 4.317 2.100 1.00 0.00 O ATOM 606 CB ASP A 131 -13.060 7.001 0.628 1.00 0.00 C ATOM 607 CG ASP A 131 -11.877 7.739 0.031 1.00 0.00 C ATOM 608 OD1 ASP A 131 -11.166 8.433 0.787 1.00 0.00 O ATOM 609 OD2 ASP A 131 -11.661 7.622 -1.194 1.00 0.00 O ATOM 0 H ASP A 131 -11.589 5.111 0.138 1.00 0.00 H new ATOM 0 HA ASP A 131 -12.045 6.509 2.472 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -13.591 6.471 -0.163 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -13.758 7.723 1.052 1.00 0.00 H new ATOM 614 N PRO A 132 -14.488 6.210 3.323 1.00 0.00 N ATOM 615 CA PRO A 132 -15.693 5.794 4.056 1.00 0.00 C ATOM 616 C PRO A 132 -16.872 5.509 3.126 1.00 0.00 C ATOM 617 O PRO A 132 -17.807 6.305 3.023 1.00 0.00 O ATOM 618 CB PRO A 132 -16.003 6.990 4.966 1.00 0.00 C ATOM 619 CG PRO A 132 -15.280 8.139 4.355 1.00 0.00 C ATOM 620 CD PRO A 132 -14.047 7.557 3.727 1.00 0.00 C ATOM 0 HA PRO A 132 -15.530 4.864 4.601 1.00 0.00 H new ATOM 0 HB2 PRO A 132 -17.075 7.180 5.016 1.00 0.00 H new ATOM 0 HB3 PRO A 132 -15.664 6.808 5.986 1.00 0.00 H new ATOM 0 HG2 PRO A 132 -15.899 8.640 3.611 1.00 0.00 H new ATOM 0 HG3 PRO A 132 -15.022 8.884 5.108 1.00 0.00 H new ATOM 0 HD2 PRO A 132 -13.712 8.146 2.873 1.00 0.00 H new ATOM 0 HD3 PRO A 132 -13.216 7.516 4.431 1.00 0.00 H new ATOM 628 N ASP A 133 -16.810 4.367 2.456 1.00 0.00 N ATOM 629 CA ASP A 133 -17.848 3.942 1.528 1.00 0.00 C ATOM 630 C ASP A 133 -17.531 2.537 1.038 1.00 0.00 C ATOM 631 O ASP A 133 -18.411 1.683 0.929 1.00 0.00 O ATOM 632 CB ASP A 133 -17.945 4.912 0.347 1.00 0.00 C ATOM 633 CG ASP A 133 -19.092 4.583 -0.589 1.00 0.00 C ATOM 634 OD1 ASP A 133 -19.830 3.615 -0.311 1.00 0.00 O ATOM 635 OD2 ASP A 133 -19.256 5.298 -1.600 1.00 0.00 O ATOM 0 H ASP A 133 -16.036 3.708 2.541 1.00 0.00 H new ATOM 0 HA ASP A 133 -18.811 3.940 2.039 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -18.070 5.927 0.725 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -17.009 4.893 -0.211 1.00 0.00 H new ATOM 640 N PHE A 134 -16.250 2.307 0.770 1.00 0.00 N ATOM 641 CA PHE A 134 -15.768 1.009 0.320 1.00 0.00 C ATOM 642 C PHE A 134 -14.818 0.436 1.368 1.00 0.00 C ATOM 643 O PHE A 134 -13.926 1.139 1.844 1.00 0.00 O ATOM 644 CB PHE A 134 -15.033 1.136 -1.020 1.00 0.00 C ATOM 645 CG PHE A 134 -15.838 1.780 -2.116 1.00 0.00 C ATOM 646 CD1 PHE A 134 -16.202 3.116 -2.038 1.00 0.00 C ATOM 647 CD2 PHE A 134 -16.226 1.048 -3.227 1.00 0.00 C ATOM 648 CE1 PHE A 134 -16.938 3.708 -3.047 1.00 0.00 C ATOM 649 CE2 PHE A 134 -16.962 1.635 -4.238 1.00 0.00 C ATOM 650 CZ PHE A 134 -17.319 2.966 -4.149 1.00 0.00 C ATOM 0 H PHE A 134 -15.520 3.014 0.859 1.00 0.00 H new ATOM 0 HA PHE A 134 -16.622 0.345 0.185 1.00 0.00 H new ATOM 0 HB2 PHE A 134 -14.123 1.716 -0.867 1.00 0.00 H new ATOM 0 HB3 PHE A 134 -14.727 0.142 -1.347 1.00 0.00 H new ATOM 0 HD1 PHE A 134 -15.907 3.700 -1.179 1.00 0.00 H new ATOM 0 HD2 PHE A 134 -15.950 0.007 -3.303 1.00 0.00 H new ATOM 0 HE1 PHE A 134 -17.215 4.749 -2.974 1.00 0.00 H new ATOM 0 HE2 PHE A 134 -17.258 1.053 -5.098 1.00 0.00 H new ATOM 0 HZ PHE A 134 -17.895 3.426 -4.939 1.00 0.00 H new ATOM 660 N HIS A 135 -15.003 -0.827 1.736 1.00 0.00 N ATOM 661 CA HIS A 135 -14.138 -1.442 2.738 1.00 0.00 C ATOM 662 C HIS A 135 -13.108 -2.361 2.091 1.00 0.00 C ATOM 663 O HIS A 135 -13.449 -3.248 1.307 1.00 0.00 O ATOM 664 CB HIS A 135 -14.965 -2.208 3.777 1.00 0.00 C ATOM 665 CG HIS A 135 -15.732 -3.369 3.225 1.00 0.00 C ATOM 666 ND1 HIS A 135 -16.703 -3.240 2.254 1.00 0.00 N ATOM 667 CD2 HIS A 135 -15.672 -4.688 3.522 1.00 0.00 C ATOM 668 CE1 HIS A 135 -17.208 -4.431 1.980 1.00 0.00 C ATOM 669 NE2 HIS A 135 -16.598 -5.326 2.736 1.00 0.00 N ATOM 0 H HIS A 135 -15.731 -1.437 1.364 1.00 0.00 H new ATOM 0 HA HIS A 135 -13.601 -0.641 3.247 1.00 0.00 H new ATOM 0 HB2 HIS A 135 -14.298 -2.569 4.560 1.00 0.00 H new ATOM 0 HB3 HIS A 135 -15.665 -1.517 4.247 1.00 0.00 H new ATOM 0 HD2 HIS A 135 -15.017 -5.152 4.244 1.00 0.00 H new ATOM 0 HE1 HIS A 135 -17.987 -4.637 1.261 1.00 0.00 H new ATOM 0 HE2 HIS A 135 -16.785 -6.329 2.736 1.00 0.00 H new ATOM 678 N LEU A 136 -11.842 -2.136 2.430 1.00 0.00 N ATOM 679 CA LEU A 136 -10.745 -2.932 1.893 1.00 0.00 C ATOM 680 C LEU A 136 -10.789 -4.347 2.465 1.00 0.00 C ATOM 681 O LEU A 136 -10.957 -4.533 3.671 1.00 0.00 O ATOM 682 CB LEU A 136 -9.408 -2.249 2.212 1.00 0.00 C ATOM 683 CG LEU A 136 -8.152 -2.907 1.625 1.00 0.00 C ATOM 684 CD1 LEU A 136 -7.801 -4.176 2.382 1.00 0.00 C ATOM 685 CD2 LEU A 136 -8.340 -3.204 0.145 1.00 0.00 C ATOM 0 H LEU A 136 -11.550 -1.404 3.078 1.00 0.00 H new ATOM 0 HA LEU A 136 -10.847 -3.005 0.810 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -9.455 -1.221 1.854 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -9.296 -2.204 3.295 1.00 0.00 H new ATOM 0 HG LEU A 136 -7.324 -2.206 1.732 1.00 0.00 H new ATOM 0 HD11 LEU A 136 -6.907 -4.624 1.947 1.00 0.00 H new ATOM 0 HD12 LEU A 136 -7.614 -3.935 3.428 1.00 0.00 H new ATOM 0 HD13 LEU A 136 -8.630 -4.881 2.314 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -7.437 -3.670 -0.250 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -9.185 -3.880 0.014 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -8.533 -2.275 -0.391 1.00 0.00 H new ATOM 697 N VAL A 137 -10.655 -5.343 1.592 1.00 0.00 N ATOM 698 CA VAL A 137 -10.698 -6.739 2.015 1.00 0.00 C ATOM 699 C VAL A 137 -9.583 -7.561 1.373 1.00 0.00 C ATOM 700 O VAL A 137 -9.830 -8.330 0.443 1.00 0.00 O ATOM 701 CB VAL A 137 -12.051 -7.385 1.659 1.00 0.00 C ATOM 702 CG1 VAL A 137 -12.140 -8.795 2.225 1.00 0.00 C ATOM 703 CG2 VAL A 137 -13.203 -6.529 2.159 1.00 0.00 C ATOM 0 H VAL A 137 -10.516 -5.209 0.590 1.00 0.00 H new ATOM 0 HA VAL A 137 -10.562 -6.738 3.097 1.00 0.00 H new ATOM 0 HB VAL A 137 -12.123 -7.450 0.573 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -13.103 -9.233 1.962 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -11.338 -9.405 1.809 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -12.042 -8.758 3.310 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -14.149 -7.003 1.897 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -13.136 -6.426 3.242 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -13.151 -5.543 1.697 1.00 0.00 H new ATOM 713 N GLY A 138 -8.357 -7.409 1.865 1.00 0.00 N ATOM 714 CA GLY A 138 -7.255 -8.166 1.304 1.00 0.00 C ATOM 715 C GLY A 138 -5.923 -7.850 1.950 1.00 0.00 C ATOM 716 O GLY A 138 -5.815 -7.796 3.175 1.00 0.00 O ATOM 0 H GLY A 138 -8.110 -6.784 2.632 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -7.461 -9.231 1.414 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -7.190 -7.963 0.235 1.00 0.00 H new ATOM 720 N SER A 139 -4.910 -7.653 1.115 1.00 0.00 N ATOM 721 CA SER A 139 -3.566 -7.345 1.583 1.00 0.00 C ATOM 722 C SER A 139 -3.471 -5.905 2.078 1.00 0.00 C ATOM 723 O SER A 139 -2.647 -5.126 1.599 1.00 0.00 O ATOM 724 CB SER A 139 -2.556 -7.570 0.461 1.00 0.00 C ATOM 725 OG SER A 139 -1.251 -7.213 0.874 1.00 0.00 O ATOM 0 H SER A 139 -4.997 -7.702 0.100 1.00 0.00 H new ATOM 0 HA SER A 139 -3.340 -8.011 2.416 1.00 0.00 H new ATOM 0 HB2 SER A 139 -2.572 -8.617 0.158 1.00 0.00 H new ATOM 0 HB3 SER A 139 -2.839 -6.981 -0.411 1.00 0.00 H new ATOM 0 HG SER A 139 -1.231 -6.262 1.111 1.00 0.00 H new ATOM 731 N SER A 140 -4.320 -5.559 3.036 1.00 0.00 N ATOM 732 CA SER A 140 -4.337 -4.223 3.593 1.00 0.00 C ATOM 733 C SER A 140 -2.945 -3.821 4.085 1.00 0.00 C ATOM 734 O SER A 140 -2.581 -2.648 4.050 1.00 0.00 O ATOM 735 CB SER A 140 -5.359 -4.157 4.724 1.00 0.00 C ATOM 736 OG SER A 140 -4.999 -5.009 5.793 1.00 0.00 O ATOM 0 H SER A 140 -5.008 -6.193 3.442 1.00 0.00 H new ATOM 0 HA SER A 140 -4.626 -3.516 2.816 1.00 0.00 H new ATOM 0 HB2 SER A 140 -5.439 -3.132 5.085 1.00 0.00 H new ATOM 0 HB3 SER A 140 -6.341 -4.440 4.346 1.00 0.00 H new ATOM 0 HG SER A 140 -4.951 -5.934 5.472 1.00 0.00 H new ATOM 742 N ARG A 141 -2.162 -4.807 4.521 1.00 0.00 N ATOM 743 CA ARG A 141 -0.802 -4.550 4.991 1.00 0.00 C ATOM 744 C ARG A 141 0.212 -4.875 3.897 1.00 0.00 C ATOM 745 O ARG A 141 0.096 -5.893 3.221 1.00 0.00 O ATOM 746 CB ARG A 141 -0.479 -5.369 6.247 1.00 0.00 C ATOM 747 CG ARG A 141 -1.235 -4.933 7.492 1.00 0.00 C ATOM 748 CD ARG A 141 -2.676 -5.412 7.478 1.00 0.00 C ATOM 749 NE ARG A 141 -3.410 -4.962 8.659 1.00 0.00 N ATOM 750 CZ ARG A 141 -4.658 -5.327 8.937 1.00 0.00 C ATOM 751 NH1 ARG A 141 -5.300 -6.175 8.144 1.00 0.00 N ATOM 752 NH2 ARG A 141 -5.263 -4.850 10.016 1.00 0.00 N ATOM 0 H ARG A 141 -2.444 -5.786 4.558 1.00 0.00 H new ATOM 0 HA ARG A 141 -0.738 -3.491 5.243 1.00 0.00 H new ATOM 0 HB2 ARG A 141 -0.702 -6.418 6.050 1.00 0.00 H new ATOM 0 HB3 ARG A 141 0.591 -5.302 6.444 1.00 0.00 H new ATOM 0 HG2 ARG A 141 -0.732 -5.323 8.377 1.00 0.00 H new ATOM 0 HG3 ARG A 141 -1.215 -3.846 7.567 1.00 0.00 H new ATOM 0 HD2 ARG A 141 -3.172 -5.044 6.580 1.00 0.00 H new ATOM 0 HD3 ARG A 141 -2.696 -6.501 7.431 1.00 0.00 H new ATOM 0 HE ARG A 141 -2.938 -4.332 9.307 1.00 0.00 H new ATOM 0 HH11 ARG A 141 -4.836 -6.550 7.317 1.00 0.00 H new ATOM 0 HH12 ARG A 141 -6.257 -6.452 8.362 1.00 0.00 H new ATOM 0 HH21 ARG A 141 -4.771 -4.203 10.633 1.00 0.00 H new ATOM 0 HH22 ARG A 141 -6.220 -5.130 10.230 1.00 0.00 H new ATOM 766 N SER A 142 1.206 -4.004 3.733 1.00 0.00 N ATOM 767 CA SER A 142 2.245 -4.199 2.721 1.00 0.00 C ATOM 768 C SER A 142 3.553 -3.560 3.177 1.00 0.00 C ATOM 769 O SER A 142 3.556 -2.454 3.721 1.00 0.00 O ATOM 770 CB SER A 142 1.806 -3.589 1.388 1.00 0.00 C ATOM 771 OG SER A 142 0.609 -4.189 0.921 1.00 0.00 O ATOM 0 H SER A 142 1.315 -3.155 4.288 1.00 0.00 H new ATOM 0 HA SER A 142 2.402 -5.269 2.587 1.00 0.00 H new ATOM 0 HB2 SER A 142 1.656 -2.516 1.508 1.00 0.00 H new ATOM 0 HB3 SER A 142 2.595 -3.720 0.647 1.00 0.00 H new ATOM 0 HG SER A 142 0.723 -5.162 0.884 1.00 0.00 H new ATOM 777 N VAL A 143 4.660 -4.262 2.958 1.00 0.00 N ATOM 778 CA VAL A 143 5.968 -3.759 3.354 1.00 0.00 C ATOM 779 C VAL A 143 6.987 -3.942 2.234 1.00 0.00 C ATOM 780 O VAL A 143 7.102 -5.020 1.652 1.00 0.00 O ATOM 781 CB VAL A 143 6.479 -4.458 4.632 1.00 0.00 C ATOM 782 CG1 VAL A 143 6.720 -5.939 4.381 1.00 0.00 C ATOM 783 CG2 VAL A 143 7.746 -3.787 5.136 1.00 0.00 C ATOM 0 H VAL A 143 4.677 -5.178 2.510 1.00 0.00 H new ATOM 0 HA VAL A 143 5.851 -2.695 3.561 1.00 0.00 H new ATOM 0 HB VAL A 143 5.711 -4.366 5.400 1.00 0.00 H new ATOM 0 HG11 VAL A 143 7.080 -6.409 5.296 1.00 0.00 H new ATOM 0 HG12 VAL A 143 5.788 -6.412 4.072 1.00 0.00 H new ATOM 0 HG13 VAL A 143 7.465 -6.058 3.595 1.00 0.00 H new ATOM 0 HG21 VAL A 143 8.092 -4.293 6.037 1.00 0.00 H new ATOM 0 HG22 VAL A 143 8.518 -3.844 4.369 1.00 0.00 H new ATOM 0 HG23 VAL A 143 7.538 -2.742 5.364 1.00 0.00 H new ATOM 793 N CYS A 144 7.718 -2.875 1.931 1.00 0.00 N ATOM 794 CA CYS A 144 8.724 -2.906 0.873 1.00 0.00 C ATOM 795 C CYS A 144 9.784 -3.972 1.117 1.00 0.00 C ATOM 796 O CYS A 144 10.042 -4.370 2.253 1.00 0.00 O ATOM 797 CB CYS A 144 9.395 -1.542 0.731 1.00 0.00 C ATOM 798 SG CYS A 144 8.525 -0.392 -0.380 1.00 0.00 S ATOM 0 H CYS A 144 7.633 -1.975 2.404 1.00 0.00 H new ATOM 0 HA CYS A 144 8.203 -3.157 -0.051 1.00 0.00 H new ATOM 0 HB2 CYS A 144 9.475 -1.085 1.717 1.00 0.00 H new ATOM 0 HB3 CYS A 144 10.411 -1.686 0.363 1.00 0.00 H new ATOM 803 N SER A 145 10.396 -4.418 0.026 1.00 0.00 N ATOM 804 CA SER A 145 11.444 -5.429 0.075 1.00 0.00 C ATOM 805 C SER A 145 12.057 -5.604 -1.311 1.00 0.00 C ATOM 806 O SER A 145 11.391 -6.058 -2.241 1.00 0.00 O ATOM 807 CB SER A 145 10.877 -6.761 0.577 1.00 0.00 C ATOM 808 OG SER A 145 9.893 -7.264 -0.310 1.00 0.00 O ATOM 0 H SER A 145 10.180 -4.089 -0.915 1.00 0.00 H new ATOM 0 HA SER A 145 12.219 -5.102 0.768 1.00 0.00 H new ATOM 0 HB2 SER A 145 11.683 -7.487 0.680 1.00 0.00 H new ATOM 0 HB3 SER A 145 10.443 -6.625 1.567 1.00 0.00 H new ATOM 0 HG SER A 145 10.031 -6.883 -1.202 1.00 0.00 H new ATOM 814 N GLN A 146 13.328 -5.230 -1.446 1.00 0.00 N ATOM 815 CA GLN A 146 14.028 -5.334 -2.724 1.00 0.00 C ATOM 816 C GLN A 146 13.337 -4.474 -3.787 1.00 0.00 C ATOM 817 O GLN A 146 13.064 -4.932 -4.896 1.00 0.00 O ATOM 818 CB GLN A 146 14.090 -6.796 -3.180 1.00 0.00 C ATOM 819 CG GLN A 146 14.972 -7.026 -4.399 1.00 0.00 C ATOM 820 CD GLN A 146 14.978 -8.472 -4.863 1.00 0.00 C ATOM 821 OE1 GLN A 146 14.207 -9.322 -4.191 1.00 0.00 O flip ATOM 822 NE2 GLN A 146 15.668 -8.823 -5.820 1.00 0.00 N flip ATOM 0 H GLN A 146 13.894 -4.852 -0.686 1.00 0.00 H new ATOM 0 HA GLN A 146 15.046 -4.967 -2.591 1.00 0.00 H new ATOM 0 HB2 GLN A 146 14.459 -7.408 -2.357 1.00 0.00 H new ATOM 0 HB3 GLN A 146 13.080 -7.139 -3.405 1.00 0.00 H new ATOM 0 HG2 GLN A 146 14.628 -6.390 -5.215 1.00 0.00 H new ATOM 0 HG3 GLN A 146 15.992 -6.721 -4.165 1.00 0.00 H new ATOM 0 HE21 GLN A 146 16.246 -8.140 -6.310 1.00 0.00 H new ATOM 0 HE22 GLN A 146 15.661 -9.797 -6.124 1.00 0.00 H new ATOM 831 N GLY A 147 13.050 -3.222 -3.430 1.00 0.00 N ATOM 832 CA GLY A 147 12.386 -2.312 -4.353 1.00 0.00 C ATOM 833 C GLY A 147 11.043 -2.844 -4.823 1.00 0.00 C ATOM 834 O GLY A 147 10.505 -2.386 -5.831 1.00 0.00 O ATOM 0 H GLY A 147 13.266 -2.821 -2.517 1.00 0.00 H new ATOM 0 HA2 GLY A 147 12.242 -1.347 -3.867 1.00 0.00 H new ATOM 0 HA3 GLY A 147 13.029 -2.141 -5.217 1.00 0.00 H new ATOM 838 N GLN A 148 10.503 -3.813 -4.086 1.00 0.00 N ATOM 839 CA GLN A 148 9.214 -4.412 -4.425 1.00 0.00 C ATOM 840 C GLN A 148 8.405 -4.699 -3.162 1.00 0.00 C ATOM 841 O GLN A 148 8.948 -5.167 -2.163 1.00 0.00 O ATOM 842 CB GLN A 148 9.421 -5.702 -5.221 1.00 0.00 C ATOM 843 CG GLN A 148 8.124 -6.354 -5.674 1.00 0.00 C ATOM 844 CD GLN A 148 7.297 -5.450 -6.567 1.00 0.00 C ATOM 845 OE1 GLN A 148 7.752 -5.018 -7.626 1.00 0.00 O ATOM 846 NE2 GLN A 148 6.072 -5.161 -6.143 1.00 0.00 N ATOM 0 H GLN A 148 10.939 -4.200 -3.249 1.00 0.00 H new ATOM 0 HA GLN A 148 8.658 -3.704 -5.039 1.00 0.00 H new ATOM 0 HB2 GLN A 148 10.033 -5.484 -6.096 1.00 0.00 H new ATOM 0 HB3 GLN A 148 9.980 -6.411 -4.609 1.00 0.00 H new ATOM 0 HG2 GLN A 148 8.353 -7.276 -6.209 1.00 0.00 H new ATOM 0 HG3 GLN A 148 7.536 -6.631 -4.799 1.00 0.00 H new ATOM 0 HE21 GLN A 148 5.736 -5.541 -5.258 1.00 0.00 H new ATOM 0 HE22 GLN A 148 5.468 -4.559 -6.702 1.00 0.00 H new ATOM 855 N TRP A 149 7.107 -4.415 -3.209 1.00 0.00 N ATOM 856 CA TRP A 149 6.238 -4.644 -2.059 1.00 0.00 C ATOM 857 C TRP A 149 6.072 -6.133 -1.781 1.00 0.00 C ATOM 858 O TRP A 149 5.859 -6.928 -2.697 1.00 0.00 O ATOM 859 CB TRP A 149 4.869 -4.003 -2.280 1.00 0.00 C ATOM 860 CG TRP A 149 4.947 -2.556 -2.641 1.00 0.00 C ATOM 861 CD1 TRP A 149 5.025 -2.027 -3.897 1.00 0.00 C ATOM 862 CD2 TRP A 149 4.987 -1.450 -1.735 1.00 0.00 C ATOM 863 NE1 TRP A 149 5.086 -0.658 -3.828 1.00 0.00 N ATOM 864 CE2 TRP A 149 5.068 -0.278 -2.511 1.00 0.00 C ATOM 865 CE3 TRP A 149 4.953 -1.337 -0.344 1.00 0.00 C ATOM 866 CZ2 TRP A 149 5.118 0.990 -1.939 1.00 0.00 C ATOM 867 CZ3 TRP A 149 5.005 -0.077 0.220 1.00 0.00 C ATOM 868 CH2 TRP A 149 5.085 1.072 -0.574 1.00 0.00 C ATOM 0 H TRP A 149 6.635 -4.028 -4.026 1.00 0.00 H new ATOM 0 HA TRP A 149 6.711 -4.181 -1.193 1.00 0.00 H new ATOM 0 HB2 TRP A 149 4.347 -4.540 -3.072 1.00 0.00 H new ATOM 0 HB3 TRP A 149 4.273 -4.113 -1.374 1.00 0.00 H new ATOM 0 HD1 TRP A 149 5.037 -2.602 -4.811 1.00 0.00 H new ATOM 0 HE1 TRP A 149 5.137 -0.026 -4.627 1.00 0.00 H new ATOM 0 HE3 TRP A 149 4.887 -2.217 0.279 1.00 0.00 H new ATOM 0 HZ2 TRP A 149 5.181 1.878 -2.551 1.00 0.00 H new ATOM 0 HZ3 TRP A 149 4.983 0.023 1.295 1.00 0.00 H new ATOM 0 HH2 TRP A 149 5.121 2.042 -0.100 1.00 0.00 H new ATOM 879 N SER A 150 6.171 -6.500 -0.507 1.00 0.00 N ATOM 880 CA SER A 150 6.031 -7.890 -0.095 1.00 0.00 C ATOM 881 C SER A 150 4.686 -8.460 -0.529 1.00 0.00 C ATOM 882 O SER A 150 4.630 -9.433 -1.281 1.00 0.00 O ATOM 883 CB SER A 150 6.184 -8.010 1.423 1.00 0.00 C ATOM 884 OG SER A 150 6.046 -9.356 1.844 1.00 0.00 O ATOM 0 H SER A 150 6.348 -5.851 0.259 1.00 0.00 H new ATOM 0 HA SER A 150 6.818 -8.466 -0.582 1.00 0.00 H new ATOM 0 HB2 SER A 150 7.160 -7.629 1.725 1.00 0.00 H new ATOM 0 HB3 SER A 150 5.434 -7.392 1.917 1.00 0.00 H new ATOM 0 HG SER A 150 6.149 -9.407 2.817 1.00 0.00 H new ATOM 890 N THR A 151 3.601 -7.854 -0.049 1.00 0.00 N ATOM 891 CA THR A 151 2.264 -8.318 -0.393 1.00 0.00 C ATOM 892 C THR A 151 1.633 -7.470 -1.498 1.00 0.00 C ATOM 893 O THR A 151 1.658 -6.240 -1.441 1.00 0.00 O ATOM 894 CB THR A 151 1.343 -8.308 0.837 1.00 0.00 C ATOM 895 OG1 THR A 151 1.390 -7.025 1.467 1.00 0.00 O ATOM 896 CG2 THR A 151 1.746 -9.388 1.830 1.00 0.00 C ATOM 0 H THR A 151 3.624 -7.047 0.574 1.00 0.00 H new ATOM 0 HA THR A 151 2.373 -9.339 -0.758 1.00 0.00 H new ATOM 0 HB THR A 151 0.325 -8.513 0.505 1.00 0.00 H new ATOM 0 HG1 THR A 151 0.490 -6.771 1.760 1.00 0.00 H new ATOM 0 HG21 THR A 151 1.078 -9.359 2.691 1.00 0.00 H new ATOM 0 HG22 THR A 151 1.679 -10.365 1.352 1.00 0.00 H new ATOM 0 HG23 THR A 151 2.770 -9.215 2.160 1.00 0.00 H new ATOM 904 N PRO A 152 1.052 -8.126 -2.523 1.00 0.00 N ATOM 905 CA PRO A 152 0.405 -7.438 -3.649 1.00 0.00 C ATOM 906 C PRO A 152 -0.761 -6.560 -3.203 1.00 0.00 C ATOM 907 O PRO A 152 -1.416 -6.844 -2.201 1.00 0.00 O ATOM 908 CB PRO A 152 -0.100 -8.582 -4.536 1.00 0.00 C ATOM 909 CG PRO A 152 0.699 -9.771 -4.127 1.00 0.00 C ATOM 910 CD PRO A 152 0.981 -9.590 -2.665 1.00 0.00 C ATOM 0 HA PRO A 152 1.095 -6.763 -4.156 1.00 0.00 H new ATOM 0 HB2 PRO A 152 -1.166 -8.754 -4.389 1.00 0.00 H new ATOM 0 HB3 PRO A 152 0.044 -8.355 -5.592 1.00 0.00 H new ATOM 0 HG2 PRO A 152 0.148 -10.694 -4.308 1.00 0.00 H new ATOM 0 HG3 PRO A 152 1.625 -9.836 -4.699 1.00 0.00 H new ATOM 0 HD2 PRO A 152 0.193 -10.018 -2.045 1.00 0.00 H new ATOM 0 HD3 PRO A 152 1.914 -10.070 -2.371 1.00 0.00 H new ATOM 918 N LYS A 153 -1.012 -5.492 -3.955 1.00 0.00 N ATOM 919 CA LYS A 153 -2.097 -4.565 -3.643 1.00 0.00 C ATOM 920 C LYS A 153 -3.436 -5.303 -3.551 1.00 0.00 C ATOM 921 O LYS A 153 -3.791 -6.072 -4.445 1.00 0.00 O ATOM 922 CB LYS A 153 -2.172 -3.474 -4.714 1.00 0.00 C ATOM 923 CG LYS A 153 -3.128 -2.341 -4.376 1.00 0.00 C ATOM 924 CD LYS A 153 -3.175 -1.307 -5.490 1.00 0.00 C ATOM 925 CE LYS A 153 -4.029 -0.110 -5.108 1.00 0.00 C ATOM 926 NZ LYS A 153 -3.459 0.635 -3.952 1.00 0.00 N ATOM 0 H LYS A 153 -0.477 -5.246 -4.788 1.00 0.00 H new ATOM 0 HA LYS A 153 -1.892 -4.107 -2.675 1.00 0.00 H new ATOM 0 HB2 LYS A 153 -1.175 -3.061 -4.868 1.00 0.00 H new ATOM 0 HB3 LYS A 153 -2.479 -3.926 -5.657 1.00 0.00 H new ATOM 0 HG2 LYS A 153 -4.127 -2.743 -4.208 1.00 0.00 H new ATOM 0 HG3 LYS A 153 -2.816 -1.864 -3.447 1.00 0.00 H new ATOM 0 HD2 LYS A 153 -2.163 -0.974 -5.720 1.00 0.00 H new ATOM 0 HD3 LYS A 153 -3.574 -1.765 -6.395 1.00 0.00 H new ATOM 0 HE2 LYS A 153 -4.117 0.560 -5.963 1.00 0.00 H new ATOM 0 HE3 LYS A 153 -5.036 -0.447 -4.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 -3.475 1.655 -4.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 -4.025 0.442 -3.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 -2.478 0.329 -3.791 1.00 0.00 H new ATOM 940 N PRO A 154 -4.197 -5.084 -2.460 1.00 0.00 N ATOM 941 CA PRO A 154 -5.497 -5.739 -2.253 1.00 0.00 C ATOM 942 C PRO A 154 -6.591 -5.196 -3.169 1.00 0.00 C ATOM 943 O PRO A 154 -6.312 -4.713 -4.267 1.00 0.00 O ATOM 944 CB PRO A 154 -5.820 -5.419 -0.794 1.00 0.00 C ATOM 945 CG PRO A 154 -5.102 -4.145 -0.517 1.00 0.00 C ATOM 946 CD PRO A 154 -3.845 -4.187 -1.341 1.00 0.00 C ATOM 0 HA PRO A 154 -5.451 -6.804 -2.479 1.00 0.00 H new ATOM 0 HB2 PRO A 154 -6.894 -5.309 -0.641 1.00 0.00 H new ATOM 0 HB3 PRO A 154 -5.483 -6.215 -0.130 1.00 0.00 H new ATOM 0 HG2 PRO A 154 -5.716 -3.285 -0.786 1.00 0.00 H new ATOM 0 HG3 PRO A 154 -4.870 -4.051 0.544 1.00 0.00 H new ATOM 0 HD2 PRO A 154 -3.564 -3.195 -1.695 1.00 0.00 H new ATOM 0 HD3 PRO A 154 -3.002 -4.572 -0.768 1.00 0.00 H new ATOM 954 N HIS A 155 -7.842 -5.281 -2.709 1.00 0.00 N ATOM 955 CA HIS A 155 -8.980 -4.799 -3.485 1.00 0.00 C ATOM 956 C HIS A 155 -10.141 -4.405 -2.572 1.00 0.00 C ATOM 957 O HIS A 155 -10.425 -5.085 -1.586 1.00 0.00 O ATOM 958 CB HIS A 155 -9.434 -5.869 -4.481 1.00 0.00 C ATOM 959 CG HIS A 155 -9.862 -7.150 -3.836 1.00 0.00 C ATOM 960 ND1 HIS A 155 -9.037 -7.899 -3.023 1.00 0.00 N ATOM 961 CD2 HIS A 155 -11.039 -7.820 -3.891 1.00 0.00 C ATOM 962 CE1 HIS A 155 -9.685 -8.972 -2.609 1.00 0.00 C ATOM 963 NE2 HIS A 155 -10.902 -8.948 -3.120 1.00 0.00 N ATOM 0 H HIS A 155 -8.089 -5.679 -1.803 1.00 0.00 H new ATOM 0 HA HIS A 155 -8.663 -3.913 -4.034 1.00 0.00 H new ATOM 0 HB2 HIS A 155 -10.262 -5.475 -5.071 1.00 0.00 H new ATOM 0 HB3 HIS A 155 -8.619 -6.076 -5.174 1.00 0.00 H new ATOM 0 HD2 HIS A 155 -11.921 -7.522 -4.439 1.00 0.00 H new ATOM 0 HE1 HIS A 155 -9.287 -9.740 -1.962 1.00 0.00 H new ATOM 0 HE2 HIS A 155 -11.623 -9.653 -2.967 1.00 0.00 H new ATOM 972 N CYS A 156 -10.804 -3.301 -2.907 1.00 0.00 N ATOM 973 CA CYS A 156 -11.933 -2.811 -2.119 1.00 0.00 C ATOM 974 C CYS A 156 -13.266 -3.223 -2.736 1.00 0.00 C ATOM 975 O CYS A 156 -13.416 -3.253 -3.957 1.00 0.00 O ATOM 976 CB CYS A 156 -11.869 -1.288 -1.989 1.00 0.00 C ATOM 977 SG CYS A 156 -10.523 -0.695 -0.918 1.00 0.00 S ATOM 0 H CYS A 156 -10.579 -2.728 -3.720 1.00 0.00 H new ATOM 0 HA CYS A 156 -11.864 -3.261 -1.129 1.00 0.00 H new ATOM 0 HB2 CYS A 156 -11.749 -0.853 -2.981 1.00 0.00 H new ATOM 0 HB3 CYS A 156 -12.819 -0.927 -1.596 1.00 0.00 H new ATOM 982 N GLN A 157 -14.232 -3.534 -1.876 1.00 0.00 N ATOM 983 CA GLN A 157 -15.560 -3.939 -2.325 1.00 0.00 C ATOM 984 C GLN A 157 -16.636 -3.107 -1.635 1.00 0.00 C ATOM 985 O GLN A 157 -16.569 -2.866 -0.431 1.00 0.00 O ATOM 986 CB GLN A 157 -15.788 -5.426 -2.039 1.00 0.00 C ATOM 987 CG GLN A 157 -17.157 -5.929 -2.472 1.00 0.00 C ATOM 988 CD GLN A 157 -17.372 -7.393 -2.147 1.00 0.00 C ATOM 989 OE1 GLN A 157 -17.314 -7.798 -0.985 1.00 0.00 O ATOM 990 NE2 GLN A 157 -17.622 -8.198 -3.173 1.00 0.00 N ATOM 0 H GLN A 157 -14.119 -3.513 -0.862 1.00 0.00 H new ATOM 0 HA GLN A 157 -15.623 -3.771 -3.400 1.00 0.00 H new ATOM 0 HB2 GLN A 157 -15.019 -6.007 -2.549 1.00 0.00 H new ATOM 0 HB3 GLN A 157 -15.666 -5.604 -0.971 1.00 0.00 H new ATOM 0 HG2 GLN A 157 -17.929 -5.335 -1.983 1.00 0.00 H new ATOM 0 HG3 GLN A 157 -17.272 -5.779 -3.545 1.00 0.00 H new ATOM 0 HE21 GLN A 157 -17.661 -7.820 -4.120 1.00 0.00 H new ATOM 0 HE22 GLN A 157 -17.775 -9.194 -3.014 1.00 0.00 H new ATOM 999 N VAL A 158 -17.625 -2.667 -2.406 1.00 0.00 N ATOM 1000 CA VAL A 158 -18.714 -1.860 -1.867 1.00 0.00 C ATOM 1001 C VAL A 158 -19.589 -2.673 -0.917 1.00 0.00 C ATOM 1002 O VAL A 158 -19.944 -3.815 -1.209 1.00 0.00 O ATOM 1003 CB VAL A 158 -19.592 -1.281 -2.995 1.00 0.00 C ATOM 1004 CG1 VAL A 158 -20.146 -2.397 -3.869 1.00 0.00 C ATOM 1005 CG2 VAL A 158 -20.719 -0.437 -2.419 1.00 0.00 C ATOM 0 H VAL A 158 -17.695 -2.856 -3.406 1.00 0.00 H new ATOM 0 HA VAL A 158 -18.257 -1.039 -1.314 1.00 0.00 H new ATOM 0 HB VAL A 158 -18.970 -0.638 -3.617 1.00 0.00 H new ATOM 0 HG11 VAL A 158 -20.763 -1.968 -4.659 1.00 0.00 H new ATOM 0 HG12 VAL A 158 -19.321 -2.954 -4.314 1.00 0.00 H new ATOM 0 HG13 VAL A 158 -20.751 -3.069 -3.261 1.00 0.00 H new ATOM 0 HG21 VAL A 158 -21.326 -0.038 -3.231 1.00 0.00 H new ATOM 0 HG22 VAL A 158 -21.341 -1.054 -1.770 1.00 0.00 H new ATOM 0 HG23 VAL A 158 -20.298 0.387 -1.842 1.00 0.00 H new ATOM 1015 N ASN A 159 -19.935 -2.076 0.221 1.00 0.00 N ATOM 1016 CA ASN A 159 -20.773 -2.747 1.211 1.00 0.00 C ATOM 1017 C ASN A 159 -22.112 -3.156 0.604 1.00 0.00 C ATOM 1018 O ASN A 159 -22.515 -2.542 -0.407 1.00 0.00 O ATOM 1019 CB ASN A 159 -21.009 -1.841 2.421 1.00 0.00 C ATOM 1020 CG ASN A 159 -19.731 -1.532 3.175 1.00 0.00 C ATOM 1021 OD1 ASN A 159 -19.035 -2.437 3.635 1.00 0.00 O ATOM 1022 ND2 ASN A 159 -19.419 -0.249 3.312 1.00 0.00 N ATOM 1023 OXT ASN A 159 -22.746 -4.086 1.144 1.00 0.00 O ATOM 0 H ASN A 159 -19.649 -1.132 0.480 1.00 0.00 H new ATOM 0 HA ASN A 159 -20.248 -3.645 1.537 1.00 0.00 H new ATOM 0 HB2 ASN A 159 -21.465 -0.908 2.089 1.00 0.00 H new ATOM 0 HB3 ASN A 159 -21.718 -2.320 3.096 1.00 0.00 H new ATOM 0 HD21 ASN A 159 -18.573 0.019 3.815 1.00 0.00 H new ATOM 0 HD22 ASN A 159 -20.025 0.469 2.914 1.00 0.00 H new TER 1030 ASN A 159