USER MOD reduce.3.24.130724 H: found=0, std=0, add=501, rem=0, adj=17 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 -96:sc= -2.13! USER MOD Set 1.2: A 142 SER OG : rot -122:sc= 0.702 USER MOD Set 1.3: A 151 THR OG1 : rot -89:sc= 1.94 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ -172:sc=-0.00037 (180deg=-0.163) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot -80:sc= -1.25! USER MOD Single : A 105 THR OG1 : rot -7:sc= 0.999 USER MOD Single : A 108 ASN :FLIP amide:sc= -0.142 F(o=-2.2!,f=-0.14) USER MOD Single : A 110 LYS NZ :NH3+ 168:sc= -0.0432 (180deg=-0.24) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 135 HIS :FLIP no HE2:sc= -2.4! C(o=-3.8!,f=-2.4!) USER MOD Single : A 140 SER OG : rot 180:sc= 0 USER MOD Single : A 145 SER OG : rot 180:sc= -0.0384 USER MOD Single : A 146 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 148 GLN : amide:sc= -0.729 K(o=-0.73,f=-5.6!) USER MOD Single : A 150 SER OG : rot -140:sc= -0.603 USER MOD Single : A 153 LYS NZ :NH3+ 135:sc= -10! (180deg=-14.3!) USER MOD Single : A 155 HIS : no HD1:sc= -0.287 K(o=-0.29,f=-0.89) USER MOD Single : A 157 GLN :FLIP amide:sc= -1.57 F(o=-4.3!,f=-1.6) USER MOD Single : A 159 ASN : amide:sc= -0.309 K(o=-0.31,f=-2.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 92 31.435 6.649 -10.091 1.00 0.00 N ATOM 2 CA GLU A 92 30.517 6.927 -11.227 1.00 0.00 C ATOM 3 C GLU A 92 29.064 6.645 -10.843 1.00 0.00 C ATOM 4 O GLU A 92 28.637 6.955 -9.730 1.00 0.00 O ATOM 5 CB GLU A 92 30.939 6.055 -12.412 1.00 0.00 C ATOM 6 CG GLU A 92 32.345 6.348 -12.910 1.00 0.00 C ATOM 7 CD GLU A 92 32.746 5.467 -14.078 1.00 0.00 C ATOM 8 OE1 GLU A 92 32.760 4.229 -13.911 1.00 0.00 O ATOM 9 OE2 GLU A 92 33.044 6.015 -15.160 1.00 0.00 O ATOM 0 HA GLU A 92 30.581 7.981 -11.497 1.00 0.00 H new ATOM 0 HB2 GLU A 92 30.876 5.006 -12.122 1.00 0.00 H new ATOM 0 HB3 GLU A 92 30.234 6.202 -13.230 1.00 0.00 H new ATOM 0 HG2 GLU A 92 32.410 7.394 -13.210 1.00 0.00 H new ATOM 0 HG3 GLU A 92 33.053 6.206 -12.093 1.00 0.00 H new ATOM 18 N ALA A 93 28.308 6.060 -11.769 1.00 0.00 N ATOM 19 CA ALA A 93 26.905 5.744 -11.525 1.00 0.00 C ATOM 20 C ALA A 93 26.751 4.723 -10.402 1.00 0.00 C ATOM 21 O ALA A 93 27.470 3.724 -10.354 1.00 0.00 O ATOM 22 CB ALA A 93 26.251 5.231 -12.799 1.00 0.00 C ATOM 0 H ALA A 93 28.644 5.796 -12.695 1.00 0.00 H new ATOM 0 HA ALA A 93 26.405 6.661 -11.213 1.00 0.00 H new ATOM 0 HB1 ALA A 93 25.204 4.999 -12.603 1.00 0.00 H new ATOM 0 HB2 ALA A 93 26.314 5.995 -13.574 1.00 0.00 H new ATOM 0 HB3 ALA A 93 26.765 4.331 -13.135 1.00 0.00 H new ATOM 28 N GLU A 94 25.805 4.982 -9.503 1.00 0.00 N ATOM 29 CA GLU A 94 25.544 4.091 -8.377 1.00 0.00 C ATOM 30 C GLU A 94 24.339 4.575 -7.577 1.00 0.00 C ATOM 31 O GLU A 94 24.228 5.761 -7.263 1.00 0.00 O ATOM 32 CB GLU A 94 26.771 4.005 -7.467 1.00 0.00 C ATOM 33 CG GLU A 94 26.582 3.078 -6.276 1.00 0.00 C ATOM 34 CD GLU A 94 27.798 3.031 -5.373 1.00 0.00 C ATOM 35 OE1 GLU A 94 28.884 2.650 -5.858 1.00 0.00 O ATOM 36 OE2 GLU A 94 27.665 3.378 -4.180 1.00 0.00 O ATOM 0 H GLU A 94 25.204 5.806 -9.533 1.00 0.00 H new ATOM 0 HA GLU A 94 25.327 3.099 -8.773 1.00 0.00 H new ATOM 0 HB2 GLU A 94 27.624 3.661 -8.052 1.00 0.00 H new ATOM 0 HB3 GLU A 94 27.015 5.004 -7.104 1.00 0.00 H new ATOM 0 HG2 GLU A 94 25.718 3.407 -5.698 1.00 0.00 H new ATOM 0 HG3 GLU A 94 26.362 2.073 -6.635 1.00 0.00 H new ATOM 43 N PHE A 95 23.439 3.651 -7.249 1.00 0.00 N ATOM 44 CA PHE A 95 22.241 3.985 -6.486 1.00 0.00 C ATOM 45 C PHE A 95 21.462 2.731 -6.092 1.00 0.00 C ATOM 46 O PHE A 95 21.379 1.771 -6.858 1.00 0.00 O ATOM 47 CB PHE A 95 21.347 4.948 -7.281 1.00 0.00 C ATOM 48 CG PHE A 95 21.129 4.558 -8.720 1.00 0.00 C ATOM 49 CD1 PHE A 95 20.529 3.352 -9.053 1.00 0.00 C ATOM 50 CD2 PHE A 95 21.520 5.408 -9.743 1.00 0.00 C ATOM 51 CE1 PHE A 95 20.328 3.003 -10.375 1.00 0.00 C ATOM 52 CE2 PHE A 95 21.320 5.064 -11.067 1.00 0.00 C ATOM 53 CZ PHE A 95 20.723 3.860 -11.383 1.00 0.00 C ATOM 0 H PHE A 95 23.517 2.665 -7.500 1.00 0.00 H new ATOM 0 HA PHE A 95 22.559 4.480 -5.568 1.00 0.00 H new ATOM 0 HB2 PHE A 95 20.378 5.016 -6.786 1.00 0.00 H new ATOM 0 HB3 PHE A 95 21.791 5.943 -7.251 1.00 0.00 H new ATOM 0 HD1 PHE A 95 20.215 2.678 -8.270 1.00 0.00 H new ATOM 0 HD2 PHE A 95 21.987 6.352 -9.502 1.00 0.00 H new ATOM 0 HE1 PHE A 95 19.862 2.060 -10.620 1.00 0.00 H new ATOM 0 HE2 PHE A 95 21.630 5.736 -11.853 1.00 0.00 H new ATOM 0 HZ PHE A 95 20.565 3.589 -12.416 1.00 0.00 H new ATOM 63 N VAL A 96 20.899 2.749 -4.889 1.00 0.00 N ATOM 64 CA VAL A 96 20.124 1.619 -4.389 1.00 0.00 C ATOM 65 C VAL A 96 18.821 1.469 -5.166 1.00 0.00 C ATOM 66 O VAL A 96 18.179 2.462 -5.512 1.00 0.00 O ATOM 67 CB VAL A 96 19.810 1.773 -2.887 1.00 0.00 C ATOM 68 CG1 VAL A 96 19.032 3.055 -2.631 1.00 0.00 C ATOM 69 CG2 VAL A 96 19.044 0.564 -2.372 1.00 0.00 C ATOM 0 H VAL A 96 20.965 3.534 -4.241 1.00 0.00 H new ATOM 0 HA VAL A 96 20.731 0.725 -4.529 1.00 0.00 H new ATOM 0 HB VAL A 96 20.753 1.833 -2.344 1.00 0.00 H new ATOM 0 HG11 VAL A 96 18.820 3.145 -1.566 1.00 0.00 H new ATOM 0 HG12 VAL A 96 19.623 3.911 -2.957 1.00 0.00 H new ATOM 0 HG13 VAL A 96 18.094 3.029 -3.186 1.00 0.00 H new ATOM 0 HG21 VAL A 96 18.832 0.692 -1.310 1.00 0.00 H new ATOM 0 HG22 VAL A 96 18.107 0.467 -2.920 1.00 0.00 H new ATOM 0 HG23 VAL A 96 19.643 -0.335 -2.516 1.00 0.00 H new ATOM 79 N ARG A 97 18.435 0.227 -5.444 1.00 0.00 N ATOM 80 CA ARG A 97 17.208 -0.038 -6.186 1.00 0.00 C ATOM 81 C ARG A 97 16.007 0.587 -5.485 1.00 0.00 C ATOM 82 O ARG A 97 15.620 0.164 -4.395 1.00 0.00 O ATOM 83 CB ARG A 97 17.000 -1.546 -6.350 1.00 0.00 C ATOM 84 CG ARG A 97 15.782 -1.907 -7.186 1.00 0.00 C ATOM 85 CD ARG A 97 15.690 -3.406 -7.419 1.00 0.00 C ATOM 86 NE ARG A 97 14.542 -3.761 -8.250 1.00 0.00 N ATOM 87 CZ ARG A 97 14.266 -5.003 -8.637 1.00 0.00 C ATOM 88 NH1 ARG A 97 15.052 -6.007 -8.270 1.00 0.00 N ATOM 89 NH2 ARG A 97 13.202 -5.244 -9.391 1.00 0.00 N ATOM 0 H ARG A 97 18.952 -0.608 -5.168 1.00 0.00 H new ATOM 0 HA ARG A 97 17.302 0.413 -7.174 1.00 0.00 H new ATOM 0 HB2 ARG A 97 17.888 -1.978 -6.812 1.00 0.00 H new ATOM 0 HB3 ARG A 97 16.900 -2.000 -5.364 1.00 0.00 H new ATOM 0 HG2 ARG A 97 14.879 -1.560 -6.684 1.00 0.00 H new ATOM 0 HG3 ARG A 97 15.832 -1.391 -8.145 1.00 0.00 H new ATOM 0 HD2 ARG A 97 16.605 -3.756 -7.897 1.00 0.00 H new ATOM 0 HD3 ARG A 97 15.615 -3.918 -6.460 1.00 0.00 H new ATOM 0 HE ARG A 97 13.916 -3.013 -8.551 1.00 0.00 H new ATOM 0 HH11 ARG A 97 15.871 -5.827 -7.689 1.00 0.00 H new ATOM 0 HH12 ARG A 97 14.837 -6.958 -8.569 1.00 0.00 H new ATOM 0 HH21 ARG A 97 12.594 -4.476 -9.675 1.00 0.00 H new ATOM 0 HH22 ARG A 97 12.992 -6.197 -9.687 1.00 0.00 H new ATOM 103 N ILE A 98 15.427 1.600 -6.119 1.00 0.00 N ATOM 104 CA ILE A 98 14.274 2.299 -5.565 1.00 0.00 C ATOM 105 C ILE A 98 13.060 1.381 -5.472 1.00 0.00 C ATOM 106 O ILE A 98 12.869 0.499 -6.310 1.00 0.00 O ATOM 107 CB ILE A 98 13.902 3.547 -6.396 1.00 0.00 C ATOM 108 CG1 ILE A 98 13.410 3.156 -7.799 1.00 0.00 C ATOM 109 CG2 ILE A 98 15.089 4.495 -6.488 1.00 0.00 C ATOM 110 CD1 ILE A 98 14.476 2.551 -8.690 1.00 0.00 C ATOM 0 H ILE A 98 15.739 1.957 -7.022 1.00 0.00 H new ATOM 0 HA ILE A 98 14.561 2.619 -4.563 1.00 0.00 H new ATOM 0 HB ILE A 98 13.085 4.059 -5.888 1.00 0.00 H new ATOM 0 HG12 ILE A 98 12.591 2.444 -7.698 1.00 0.00 H new ATOM 0 HG13 ILE A 98 13.004 4.041 -8.288 1.00 0.00 H new ATOM 0 HG21 ILE A 98 14.811 5.369 -7.077 1.00 0.00 H new ATOM 0 HG22 ILE A 98 15.382 4.810 -5.486 1.00 0.00 H new ATOM 0 HG23 ILE A 98 15.925 3.986 -6.967 1.00 0.00 H new ATOM 0 HD11 ILE A 98 14.043 2.305 -9.660 1.00 0.00 H new ATOM 0 HD12 ILE A 98 15.286 3.267 -8.826 1.00 0.00 H new ATOM 0 HD13 ILE A 98 14.866 1.645 -8.226 1.00 0.00 H new ATOM 122 N CYS A 99 12.241 1.597 -4.444 1.00 0.00 N ATOM 123 CA CYS A 99 11.040 0.795 -4.236 1.00 0.00 C ATOM 124 C CYS A 99 10.192 0.764 -5.506 1.00 0.00 C ATOM 125 O CYS A 99 10.112 1.759 -6.228 1.00 0.00 O ATOM 126 CB CYS A 99 10.215 1.360 -3.078 1.00 0.00 C ATOM 127 SG CYS A 99 11.159 1.635 -1.542 1.00 0.00 S ATOM 0 H CYS A 99 12.389 2.322 -3.742 1.00 0.00 H new ATOM 0 HA CYS A 99 11.347 -0.222 -3.990 1.00 0.00 H new ATOM 0 HB2 CYS A 99 9.772 2.305 -3.391 1.00 0.00 H new ATOM 0 HB3 CYS A 99 9.393 0.677 -2.867 1.00 0.00 H new ATOM 132 N SER A 100 9.572 -0.381 -5.778 1.00 0.00 N ATOM 133 CA SER A 100 8.740 -0.541 -6.968 1.00 0.00 C ATOM 134 C SER A 100 7.765 0.625 -7.127 1.00 0.00 C ATOM 135 O SER A 100 7.002 0.942 -6.215 1.00 0.00 O ATOM 136 CB SER A 100 7.966 -1.859 -6.902 1.00 0.00 C ATOM 137 OG SER A 100 8.849 -2.965 -6.828 1.00 0.00 O ATOM 0 H SER A 100 9.630 -1.213 -5.190 1.00 0.00 H new ATOM 0 HA SER A 100 9.401 -0.554 -7.835 1.00 0.00 H new ATOM 0 HB2 SER A 100 7.309 -1.855 -6.032 1.00 0.00 H new ATOM 0 HB3 SER A 100 7.330 -1.955 -7.782 1.00 0.00 H new ATOM 0 HG SER A 100 8.330 -3.795 -6.785 1.00 0.00 H new ATOM 143 N LYS A 101 7.805 1.256 -8.298 1.00 0.00 N ATOM 144 CA LYS A 101 6.937 2.390 -8.599 1.00 0.00 C ATOM 145 C LYS A 101 5.554 1.920 -9.045 1.00 0.00 C ATOM 146 O LYS A 101 5.290 1.799 -10.242 1.00 0.00 O ATOM 147 CB LYS A 101 7.569 3.255 -9.693 1.00 0.00 C ATOM 148 CG LYS A 101 6.761 4.496 -10.047 1.00 0.00 C ATOM 149 CD LYS A 101 6.744 5.502 -8.907 1.00 0.00 C ATOM 150 CE LYS A 101 8.138 6.026 -8.601 1.00 0.00 C ATOM 151 NZ LYS A 101 8.126 7.030 -7.502 1.00 0.00 N ATOM 0 H LYS A 101 8.434 0.998 -9.058 1.00 0.00 H new ATOM 0 HA LYS A 101 6.821 2.980 -7.690 1.00 0.00 H new ATOM 0 HB2 LYS A 101 8.564 3.562 -9.370 1.00 0.00 H new ATOM 0 HB3 LYS A 101 7.698 2.650 -10.591 1.00 0.00 H new ATOM 0 HG2 LYS A 101 7.182 4.963 -10.937 1.00 0.00 H new ATOM 0 HG3 LYS A 101 5.739 4.207 -10.292 1.00 0.00 H new ATOM 0 HD2 LYS A 101 6.090 6.335 -9.166 1.00 0.00 H new ATOM 0 HD3 LYS A 101 6.327 5.035 -8.015 1.00 0.00 H new ATOM 0 HE2 LYS A 101 8.786 5.194 -8.325 1.00 0.00 H new ATOM 0 HE3 LYS A 101 8.562 6.476 -9.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 9.069 7.461 -7.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 7.426 7.769 -7.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 7.875 6.563 -6.607 1.00 0.00 H new ATOM 165 N SER A 102 4.674 1.650 -8.084 1.00 0.00 N ATOM 166 CA SER A 102 3.327 1.188 -8.398 1.00 0.00 C ATOM 167 C SER A 102 2.440 1.156 -7.155 1.00 0.00 C ATOM 168 O SER A 102 1.284 1.576 -7.196 1.00 0.00 O ATOM 169 CB SER A 102 3.392 -0.205 -9.017 1.00 0.00 C ATOM 170 OG SER A 102 2.096 -0.709 -9.286 1.00 0.00 O ATOM 0 H SER A 102 4.869 1.743 -7.087 1.00 0.00 H new ATOM 0 HA SER A 102 2.888 1.890 -9.107 1.00 0.00 H new ATOM 0 HB2 SER A 102 3.969 -0.168 -9.941 1.00 0.00 H new ATOM 0 HB3 SER A 102 3.915 -0.882 -8.341 1.00 0.00 H new ATOM 0 HG SER A 102 2.168 -1.602 -9.683 1.00 0.00 H new ATOM 176 N TYR A 103 2.985 0.644 -6.056 1.00 0.00 N ATOM 177 CA TYR A 103 2.238 0.546 -4.806 1.00 0.00 C ATOM 178 C TYR A 103 1.795 1.916 -4.304 1.00 0.00 C ATOM 179 O TYR A 103 0.663 2.080 -3.851 1.00 0.00 O ATOM 180 CB TYR A 103 3.078 -0.155 -3.739 1.00 0.00 C ATOM 181 CG TYR A 103 3.270 -1.636 -3.990 1.00 0.00 C ATOM 182 CD1 TYR A 103 3.706 -2.105 -5.225 1.00 0.00 C ATOM 183 CD2 TYR A 103 3.011 -2.567 -2.992 1.00 0.00 C ATOM 184 CE1 TYR A 103 3.879 -3.457 -5.455 1.00 0.00 C ATOM 185 CE2 TYR A 103 3.182 -3.921 -3.216 1.00 0.00 C ATOM 186 CZ TYR A 103 3.616 -4.359 -4.448 1.00 0.00 C ATOM 187 OH TYR A 103 3.786 -5.706 -4.674 1.00 0.00 O ATOM 0 H TYR A 103 3.940 0.291 -6.005 1.00 0.00 H new ATOM 0 HA TYR A 103 1.342 -0.043 -5.005 1.00 0.00 H new ATOM 0 HB2 TYR A 103 4.055 0.325 -3.686 1.00 0.00 H new ATOM 0 HB3 TYR A 103 2.602 -0.019 -2.768 1.00 0.00 H new ATOM 0 HD1 TYR A 103 3.913 -1.401 -6.017 1.00 0.00 H new ATOM 0 HD2 TYR A 103 2.670 -2.228 -2.025 1.00 0.00 H new ATOM 0 HE1 TYR A 103 4.219 -3.804 -6.420 1.00 0.00 H new ATOM 0 HE2 TYR A 103 2.976 -4.631 -2.429 1.00 0.00 H new ATOM 0 HH TYR A 103 3.009 -6.057 -5.158 1.00 0.00 H new ATOM 197 N LEU A 104 2.691 2.895 -4.386 1.00 0.00 N ATOM 198 CA LEU A 104 2.387 4.248 -3.937 1.00 0.00 C ATOM 199 C LEU A 104 1.064 4.752 -4.520 1.00 0.00 C ATOM 200 O LEU A 104 0.373 5.557 -3.897 1.00 0.00 O ATOM 201 CB LEU A 104 3.535 5.200 -4.288 1.00 0.00 C ATOM 202 CG LEU A 104 4.323 4.850 -5.554 1.00 0.00 C ATOM 203 CD1 LEU A 104 3.389 4.659 -6.736 1.00 0.00 C ATOM 204 CD2 LEU A 104 5.355 5.925 -5.850 1.00 0.00 C ATOM 0 H LEU A 104 3.633 2.776 -4.759 1.00 0.00 H new ATOM 0 HA LEU A 104 2.276 4.222 -2.853 1.00 0.00 H new ATOM 0 HB2 LEU A 104 3.128 6.205 -4.401 1.00 0.00 H new ATOM 0 HB3 LEU A 104 4.228 5.230 -3.447 1.00 0.00 H new ATOM 0 HG LEU A 104 4.846 3.909 -5.384 1.00 0.00 H new ATOM 0 HD11 LEU A 104 3.971 4.411 -7.624 1.00 0.00 H new ATOM 0 HD12 LEU A 104 2.692 3.849 -6.522 1.00 0.00 H new ATOM 0 HD13 LEU A 104 2.833 5.579 -6.912 1.00 0.00 H new ATOM 0 HD21 LEU A 104 5.906 5.661 -6.753 1.00 0.00 H new ATOM 0 HD22 LEU A 104 4.852 6.881 -5.998 1.00 0.00 H new ATOM 0 HD23 LEU A 104 6.048 6.005 -5.012 1.00 0.00 H new ATOM 216 N THR A 105 0.712 4.269 -5.708 1.00 0.00 N ATOM 217 CA THR A 105 -0.534 4.668 -6.352 1.00 0.00 C ATOM 218 C THR A 105 -1.621 3.623 -6.121 1.00 0.00 C ATOM 219 O THR A 105 -1.420 2.437 -6.386 1.00 0.00 O ATOM 220 CB THR A 105 -0.349 4.874 -7.867 1.00 0.00 C ATOM 221 OG1 THR A 105 0.138 3.672 -8.471 1.00 0.00 O ATOM 222 CG2 THR A 105 0.617 6.017 -8.145 1.00 0.00 C ATOM 0 H THR A 105 1.270 3.603 -6.242 1.00 0.00 H new ATOM 0 HA THR A 105 -0.835 5.615 -5.904 1.00 0.00 H new ATOM 0 HB THR A 105 -1.318 5.127 -8.297 1.00 0.00 H new ATOM 0 HG1 THR A 105 0.356 3.020 -7.773 1.00 0.00 H new ATOM 0 HG21 THR A 105 0.731 6.143 -9.222 1.00 0.00 H new ATOM 0 HG22 THR A 105 0.226 6.937 -7.711 1.00 0.00 H new ATOM 0 HG23 THR A 105 1.586 5.790 -7.701 1.00 0.00 H new ATOM 230 N LEU A 106 -2.772 4.067 -5.625 1.00 0.00 N ATOM 231 CA LEU A 106 -3.887 3.163 -5.360 1.00 0.00 C ATOM 232 C LEU A 106 -5.223 3.849 -5.628 1.00 0.00 C ATOM 233 O LEU A 106 -5.537 4.870 -5.017 1.00 0.00 O ATOM 234 CB LEU A 106 -3.837 2.680 -3.905 1.00 0.00 C ATOM 235 CG LEU A 106 -4.989 1.765 -3.479 1.00 0.00 C ATOM 236 CD1 LEU A 106 -4.986 0.484 -4.299 1.00 0.00 C ATOM 237 CD2 LEU A 106 -4.893 1.447 -1.995 1.00 0.00 C ATOM 0 H LEU A 106 -2.957 5.044 -5.399 1.00 0.00 H new ATOM 0 HA LEU A 106 -3.797 2.308 -6.030 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -2.897 2.151 -3.747 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -3.826 3.551 -3.250 1.00 0.00 H new ATOM 0 HG LEU A 106 -5.928 2.287 -3.661 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -5.812 -0.153 -3.982 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -5.101 0.728 -5.355 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -4.043 -0.042 -4.149 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -5.719 0.796 -1.708 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -3.947 0.945 -1.791 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -4.944 2.372 -1.421 1.00 0.00 H new ATOM 249 N GLU A 107 -6.013 3.276 -6.532 1.00 0.00 N ATOM 250 CA GLU A 107 -7.319 3.837 -6.854 1.00 0.00 C ATOM 251 C GLU A 107 -8.287 3.592 -5.702 1.00 0.00 C ATOM 252 O GLU A 107 -8.321 2.500 -5.132 1.00 0.00 O ATOM 253 CB GLU A 107 -7.873 3.242 -8.156 1.00 0.00 C ATOM 254 CG GLU A 107 -8.368 1.804 -8.043 1.00 0.00 C ATOM 255 CD GLU A 107 -7.267 0.811 -7.725 1.00 0.00 C ATOM 256 OE1 GLU A 107 -6.736 0.852 -6.597 1.00 0.00 O ATOM 257 OE2 GLU A 107 -6.936 -0.011 -8.606 1.00 0.00 O ATOM 0 H GLU A 107 -5.773 2.431 -7.050 1.00 0.00 H new ATOM 0 HA GLU A 107 -7.204 4.911 -7.002 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -8.695 3.868 -8.504 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -7.095 3.285 -8.918 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -9.131 1.750 -7.266 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -8.846 1.517 -8.980 1.00 0.00 H new ATOM 264 N ASN A 108 -9.057 4.615 -5.349 1.00 0.00 N ATOM 265 CA ASN A 108 -10.008 4.505 -4.248 1.00 0.00 C ATOM 266 C ASN A 108 -9.279 4.139 -2.959 1.00 0.00 C ATOM 267 O ASN A 108 -9.768 3.342 -2.159 1.00 0.00 O ATOM 268 CB ASN A 108 -11.078 3.455 -4.564 1.00 0.00 C ATOM 269 CG ASN A 108 -11.893 3.792 -5.801 1.00 0.00 C ATOM 270 OD1 ASN A 108 -11.596 4.928 -6.428 1.00 0.00 O flip ATOM 271 ND2 ASN A 108 -12.786 3.039 -6.189 1.00 0.00 N flip ATOM 0 H ASN A 108 -9.042 5.526 -5.807 1.00 0.00 H new ATOM 0 HA ASN A 108 -10.498 5.470 -4.116 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -10.598 2.486 -4.704 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -11.748 3.358 -3.710 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -12.983 2.177 -5.681 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -13.329 3.277 -7.019 1.00 0.00 H new ATOM 278 N GLY A 109 -8.102 4.728 -2.770 1.00 0.00 N ATOM 279 CA GLY A 109 -7.310 4.455 -1.585 1.00 0.00 C ATOM 280 C GLY A 109 -6.097 5.356 -1.484 1.00 0.00 C ATOM 281 O GLY A 109 -5.617 5.880 -2.489 1.00 0.00 O ATOM 0 H GLY A 109 -7.682 5.392 -3.420 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -7.931 4.584 -0.698 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -6.987 3.414 -1.599 1.00 0.00 H new ATOM 285 N LYS A 110 -5.608 5.542 -0.266 1.00 0.00 N ATOM 286 CA LYS A 110 -4.447 6.395 -0.028 1.00 0.00 C ATOM 287 C LYS A 110 -3.238 5.577 0.415 1.00 0.00 C ATOM 288 O LYS A 110 -3.362 4.638 1.202 1.00 0.00 O ATOM 289 CB LYS A 110 -4.775 7.453 1.027 1.00 0.00 C ATOM 290 CG LYS A 110 -5.914 8.377 0.628 1.00 0.00 C ATOM 291 CD LYS A 110 -6.189 9.423 1.697 1.00 0.00 C ATOM 292 CE LYS A 110 -4.993 10.338 1.909 1.00 0.00 C ATOM 293 NZ LYS A 110 -4.633 11.079 0.670 1.00 0.00 N ATOM 0 H LYS A 110 -5.996 5.114 0.575 1.00 0.00 H new ATOM 0 HA LYS A 110 -4.198 6.888 -0.968 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -5.033 6.955 1.961 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -3.884 8.050 1.220 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -5.669 8.872 -0.312 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -6.815 7.789 0.453 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -7.056 10.018 1.410 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -6.439 8.928 2.635 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -5.216 11.049 2.705 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -4.139 9.747 2.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -3.955 11.833 0.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -4.203 10.424 -0.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -5.489 11.499 0.255 1.00 0.00 H new ATOM 307 N VAL A 111 -2.066 5.947 -0.092 1.00 0.00 N ATOM 308 CA VAL A 111 -0.827 5.259 0.252 1.00 0.00 C ATOM 309 C VAL A 111 0.072 6.159 1.097 1.00 0.00 C ATOM 310 O VAL A 111 0.330 7.308 0.736 1.00 0.00 O ATOM 311 CB VAL A 111 -0.071 4.805 -1.013 1.00 0.00 C ATOM 312 CG1 VAL A 111 1.264 4.176 -0.654 1.00 0.00 C ATOM 313 CG2 VAL A 111 -0.922 3.835 -1.819 1.00 0.00 C ATOM 0 H VAL A 111 -1.949 6.722 -0.745 1.00 0.00 H new ATOM 0 HA VAL A 111 -1.091 4.375 0.832 1.00 0.00 H new ATOM 0 HB VAL A 111 0.127 5.685 -1.625 1.00 0.00 H new ATOM 0 HG11 VAL A 111 1.776 3.865 -1.564 1.00 0.00 H new ATOM 0 HG12 VAL A 111 1.878 4.903 -0.123 1.00 0.00 H new ATOM 0 HG13 VAL A 111 1.097 3.308 -0.017 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -0.375 3.524 -2.709 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -1.153 2.961 -1.210 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -1.849 4.325 -2.116 1.00 0.00 H new ATOM 323 N PHE A 112 0.529 5.633 2.230 1.00 0.00 N ATOM 324 CA PHE A 112 1.383 6.390 3.143 1.00 0.00 C ATOM 325 C PHE A 112 2.798 5.815 3.192 1.00 0.00 C ATOM 326 O PHE A 112 3.230 5.299 4.222 1.00 0.00 O ATOM 327 CB PHE A 112 0.774 6.405 4.549 1.00 0.00 C ATOM 328 CG PHE A 112 -0.509 7.185 4.646 1.00 0.00 C ATOM 329 CD1 PHE A 112 -1.593 6.873 3.841 1.00 0.00 C ATOM 330 CD2 PHE A 112 -0.627 8.235 5.544 1.00 0.00 C ATOM 331 CE1 PHE A 112 -2.769 7.593 3.928 1.00 0.00 C ATOM 332 CE2 PHE A 112 -1.801 8.957 5.637 1.00 0.00 C ATOM 333 CZ PHE A 112 -2.873 8.636 4.827 1.00 0.00 C ATOM 0 H PHE A 112 0.322 4.683 2.539 1.00 0.00 H new ATOM 0 HA PHE A 112 1.447 7.411 2.768 1.00 0.00 H new ATOM 0 HB2 PHE A 112 0.589 5.379 4.866 1.00 0.00 H new ATOM 0 HB3 PHE A 112 1.499 6.828 5.245 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -1.518 6.057 3.137 1.00 0.00 H new ATOM 0 HD2 PHE A 112 0.209 8.491 6.178 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -3.606 7.340 3.294 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -1.881 9.771 6.342 1.00 0.00 H new ATOM 0 HZ PHE A 112 -3.791 9.200 4.897 1.00 0.00 H new ATOM 343 N LEU A 113 3.506 5.900 2.069 1.00 0.00 N ATOM 344 CA LEU A 113 4.873 5.385 1.976 1.00 0.00 C ATOM 345 C LEU A 113 5.874 6.309 2.673 1.00 0.00 C ATOM 346 O LEU A 113 6.945 6.597 2.137 1.00 0.00 O ATOM 347 CB LEU A 113 5.278 5.183 0.508 1.00 0.00 C ATOM 348 CG LEU A 113 5.404 6.459 -0.337 1.00 0.00 C ATOM 349 CD1 LEU A 113 6.029 6.139 -1.685 1.00 0.00 C ATOM 350 CD2 LEU A 113 4.049 7.124 -0.531 1.00 0.00 C ATOM 0 H LEU A 113 3.157 6.321 1.208 1.00 0.00 H new ATOM 0 HA LEU A 113 4.892 4.422 2.486 1.00 0.00 H new ATOM 0 HB2 LEU A 113 6.234 4.659 0.484 1.00 0.00 H new ATOM 0 HB3 LEU A 113 4.544 4.529 0.036 1.00 0.00 H new ATOM 0 HG LEU A 113 6.050 7.155 0.197 1.00 0.00 H new ATOM 0 HD11 LEU A 113 6.112 7.053 -2.274 1.00 0.00 H new ATOM 0 HD12 LEU A 113 7.021 5.713 -1.534 1.00 0.00 H new ATOM 0 HD13 LEU A 113 5.403 5.422 -2.215 1.00 0.00 H new ATOM 0 HD21 LEU A 113 4.169 8.025 -1.133 1.00 0.00 H new ATOM 0 HD22 LEU A 113 3.375 6.435 -1.040 1.00 0.00 H new ATOM 0 HD23 LEU A 113 3.632 7.389 0.440 1.00 0.00 H new ATOM 362 N THR A 114 5.526 6.764 3.872 1.00 0.00 N ATOM 363 CA THR A 114 6.397 7.647 4.639 1.00 0.00 C ATOM 364 C THR A 114 7.585 6.887 5.225 1.00 0.00 C ATOM 365 O THR A 114 7.425 5.800 5.784 1.00 0.00 O ATOM 366 CB THR A 114 5.630 8.332 5.787 1.00 0.00 C ATOM 367 OG1 THR A 114 5.096 7.345 6.677 1.00 0.00 O ATOM 368 CG2 THR A 114 4.501 9.196 5.245 1.00 0.00 C ATOM 0 H THR A 114 4.646 6.535 4.334 1.00 0.00 H new ATOM 0 HA THR A 114 6.762 8.405 3.946 1.00 0.00 H new ATOM 0 HB THR A 114 6.327 8.971 6.329 1.00 0.00 H new ATOM 0 HG1 THR A 114 4.612 7.788 7.405 1.00 0.00 H new ATOM 0 HG21 THR A 114 3.975 9.669 6.074 1.00 0.00 H new ATOM 0 HG22 THR A 114 4.913 9.965 4.591 1.00 0.00 H new ATOM 0 HG23 THR A 114 3.806 8.574 4.681 1.00 0.00 H new ATOM 376 N GLY A 115 8.775 7.467 5.101 1.00 0.00 N ATOM 377 CA GLY A 115 9.963 6.828 5.635 1.00 0.00 C ATOM 378 C GLY A 115 11.247 7.349 5.019 1.00 0.00 C ATOM 379 O GLY A 115 12.154 7.780 5.731 1.00 0.00 O ATOM 0 H GLY A 115 8.937 8.364 4.643 1.00 0.00 H new ATOM 0 HA2 GLY A 115 9.997 6.981 6.714 1.00 0.00 H new ATOM 0 HA3 GLY A 115 9.897 5.753 5.467 1.00 0.00 H new ATOM 383 N GLY A 116 11.331 7.298 3.693 1.00 0.00 N ATOM 384 CA GLY A 116 12.524 7.760 3.007 1.00 0.00 C ATOM 385 C GLY A 116 12.551 9.261 2.794 1.00 0.00 C ATOM 386 O GLY A 116 12.039 10.024 3.613 1.00 0.00 O ATOM 0 H GLY A 116 10.595 6.945 3.082 1.00 0.00 H new ATOM 0 HA2 GLY A 116 13.402 7.466 3.582 1.00 0.00 H new ATOM 0 HA3 GLY A 116 12.595 7.262 2.040 1.00 0.00 H new ATOM 390 N ASP A 117 13.160 9.675 1.684 1.00 0.00 N ATOM 391 CA ASP A 117 13.278 11.086 1.335 1.00 0.00 C ATOM 392 C ASP A 117 14.039 11.229 0.021 1.00 0.00 C ATOM 393 O ASP A 117 15.171 11.714 0.001 1.00 0.00 O ATOM 394 CB ASP A 117 13.998 11.858 2.446 1.00 0.00 C ATOM 395 CG ASP A 117 14.083 13.347 2.164 1.00 0.00 C ATOM 396 OD1 ASP A 117 13.554 13.788 1.121 1.00 0.00 O ATOM 397 OD2 ASP A 117 14.677 14.073 2.988 1.00 0.00 O ATOM 0 H ASP A 117 13.583 9.043 1.005 1.00 0.00 H new ATOM 0 HA ASP A 117 12.278 11.503 1.219 1.00 0.00 H new ATOM 0 HB2 ASP A 117 13.476 11.700 3.390 1.00 0.00 H new ATOM 0 HB3 ASP A 117 15.004 11.457 2.568 1.00 0.00 H new ATOM 402 N LEU A 118 13.414 10.777 -1.068 1.00 0.00 N ATOM 403 CA LEU A 118 14.026 10.824 -2.395 1.00 0.00 C ATOM 404 C LEU A 118 14.917 12.053 -2.564 1.00 0.00 C ATOM 405 O LEU A 118 14.464 13.185 -2.393 1.00 0.00 O ATOM 406 CB LEU A 118 12.943 10.818 -3.476 1.00 0.00 C ATOM 407 CG LEU A 118 12.029 9.589 -3.479 1.00 0.00 C ATOM 408 CD1 LEU A 118 10.990 9.704 -4.583 1.00 0.00 C ATOM 409 CD2 LEU A 118 12.843 8.314 -3.642 1.00 0.00 C ATOM 0 H LEU A 118 12.478 10.372 -1.055 1.00 0.00 H new ATOM 0 HA LEU A 118 14.652 9.938 -2.499 1.00 0.00 H new ATOM 0 HB2 LEU A 118 12.327 11.709 -3.355 1.00 0.00 H new ATOM 0 HB3 LEU A 118 13.425 10.894 -4.451 1.00 0.00 H new ATOM 0 HG LEU A 118 11.512 9.543 -2.521 1.00 0.00 H new ATOM 0 HD11 LEU A 118 10.348 8.823 -4.572 1.00 0.00 H new ATOM 0 HD12 LEU A 118 10.385 10.596 -4.421 1.00 0.00 H new ATOM 0 HD13 LEU A 118 11.491 9.776 -5.548 1.00 0.00 H new ATOM 0 HD21 LEU A 118 12.175 7.453 -3.642 1.00 0.00 H new ATOM 0 HD22 LEU A 118 13.389 8.349 -4.585 1.00 0.00 H new ATOM 0 HD23 LEU A 118 13.549 8.225 -2.817 1.00 0.00 H new ATOM 421 N PRO A 119 16.203 11.846 -2.911 1.00 0.00 N ATOM 422 CA PRO A 119 16.780 10.512 -3.124 1.00 0.00 C ATOM 423 C PRO A 119 17.093 9.792 -1.812 1.00 0.00 C ATOM 424 O PRO A 119 18.176 9.953 -1.248 1.00 0.00 O ATOM 425 CB PRO A 119 18.065 10.812 -3.889 1.00 0.00 C ATOM 426 CG PRO A 119 18.475 12.164 -3.416 1.00 0.00 C ATOM 427 CD PRO A 119 17.202 12.913 -3.116 1.00 0.00 C ATOM 0 HA PRO A 119 16.094 9.848 -3.650 1.00 0.00 H new ATOM 0 HB2 PRO A 119 18.834 10.068 -3.680 1.00 0.00 H new ATOM 0 HB3 PRO A 119 17.897 10.803 -4.966 1.00 0.00 H new ATOM 0 HG2 PRO A 119 19.102 12.091 -2.527 1.00 0.00 H new ATOM 0 HG3 PRO A 119 19.060 12.681 -4.177 1.00 0.00 H new ATOM 0 HD2 PRO A 119 17.306 13.539 -2.230 1.00 0.00 H new ATOM 0 HD3 PRO A 119 16.922 13.570 -3.939 1.00 0.00 H new ATOM 435 N ALA A 120 16.136 8.998 -1.334 1.00 0.00 N ATOM 436 CA ALA A 120 16.297 8.251 -0.091 1.00 0.00 C ATOM 437 C ALA A 120 15.072 7.383 0.177 1.00 0.00 C ATOM 438 O ALA A 120 13.960 7.725 -0.226 1.00 0.00 O ATOM 439 CB ALA A 120 16.538 9.198 1.076 1.00 0.00 C ATOM 0 H ALA A 120 15.236 8.856 -1.793 1.00 0.00 H new ATOM 0 HA ALA A 120 17.166 7.601 -0.195 1.00 0.00 H new ATOM 0 HB1 ALA A 120 16.656 8.622 1.994 1.00 0.00 H new ATOM 0 HB2 ALA A 120 17.443 9.778 0.893 1.00 0.00 H new ATOM 0 HB3 ALA A 120 15.689 9.873 1.178 1.00 0.00 H new ATOM 445 N LEU A 121 15.280 6.256 0.853 1.00 0.00 N ATOM 446 CA LEU A 121 14.184 5.345 1.167 1.00 0.00 C ATOM 447 C LEU A 121 14.619 4.256 2.146 1.00 0.00 C ATOM 448 O LEU A 121 14.213 3.100 2.023 1.00 0.00 O ATOM 449 CB LEU A 121 13.630 4.718 -0.118 1.00 0.00 C ATOM 450 CG LEU A 121 14.676 4.330 -1.171 1.00 0.00 C ATOM 451 CD1 LEU A 121 15.720 3.392 -0.585 1.00 0.00 C ATOM 452 CD2 LEU A 121 14.003 3.694 -2.376 1.00 0.00 C ATOM 0 H LEU A 121 16.193 5.953 1.192 1.00 0.00 H new ATOM 0 HA LEU A 121 13.397 5.926 1.648 1.00 0.00 H new ATOM 0 HB2 LEU A 121 13.062 3.827 0.149 1.00 0.00 H new ATOM 0 HB3 LEU A 121 12.929 5.419 -0.570 1.00 0.00 H new ATOM 0 HG LEU A 121 15.185 5.238 -1.495 1.00 0.00 H new ATOM 0 HD11 LEU A 121 16.449 3.133 -1.353 1.00 0.00 H new ATOM 0 HD12 LEU A 121 16.227 3.885 0.245 1.00 0.00 H new ATOM 0 HD13 LEU A 121 15.234 2.485 -0.226 1.00 0.00 H new ATOM 0 HD21 LEU A 121 14.758 3.424 -3.114 1.00 0.00 H new ATOM 0 HD22 LEU A 121 13.466 2.799 -2.062 1.00 0.00 H new ATOM 0 HD23 LEU A 121 13.301 4.402 -2.817 1.00 0.00 H new ATOM 464 N ASP A 122 15.438 4.634 3.123 1.00 0.00 N ATOM 465 CA ASP A 122 15.915 3.686 4.123 1.00 0.00 C ATOM 466 C ASP A 122 14.805 3.339 5.112 1.00 0.00 C ATOM 467 O ASP A 122 14.222 4.224 5.738 1.00 0.00 O ATOM 468 CB ASP A 122 17.119 4.261 4.870 1.00 0.00 C ATOM 469 CG ASP A 122 17.659 3.308 5.918 1.00 0.00 C ATOM 470 OD1 ASP A 122 18.053 2.182 5.548 1.00 0.00 O ATOM 471 OD2 ASP A 122 17.690 3.688 7.107 1.00 0.00 O ATOM 0 H ASP A 122 15.784 5.586 3.243 1.00 0.00 H new ATOM 0 HA ASP A 122 16.219 2.774 3.609 1.00 0.00 H new ATOM 0 HB2 ASP A 122 17.908 4.496 4.155 1.00 0.00 H new ATOM 0 HB3 ASP A 122 16.833 5.198 5.348 1.00 0.00 H new ATOM 476 N GLY A 123 14.522 2.046 5.247 1.00 0.00 N ATOM 477 CA GLY A 123 13.483 1.602 6.160 1.00 0.00 C ATOM 478 C GLY A 123 12.156 2.296 5.915 1.00 0.00 C ATOM 479 O GLY A 123 11.452 2.654 6.860 1.00 0.00 O ATOM 0 H GLY A 123 14.994 1.297 4.740 1.00 0.00 H new ATOM 0 HA2 GLY A 123 13.350 0.525 6.057 1.00 0.00 H new ATOM 0 HA3 GLY A 123 13.802 1.787 7.186 1.00 0.00 H new ATOM 483 N ALA A 124 11.816 2.489 4.645 1.00 0.00 N ATOM 484 CA ALA A 124 10.566 3.147 4.281 1.00 0.00 C ATOM 485 C ALA A 124 9.367 2.244 4.552 1.00 0.00 C ATOM 486 O ALA A 124 9.299 1.120 4.052 1.00 0.00 O ATOM 487 CB ALA A 124 10.596 3.558 2.817 1.00 0.00 C ATOM 0 H ALA A 124 12.388 2.200 3.851 1.00 0.00 H new ATOM 0 HA ALA A 124 10.462 4.039 4.899 1.00 0.00 H new ATOM 0 HB1 ALA A 124 9.658 4.048 2.557 1.00 0.00 H new ATOM 0 HB2 ALA A 124 11.424 4.247 2.649 1.00 0.00 H new ATOM 0 HB3 ALA A 124 10.728 2.674 2.193 1.00 0.00 H new ATOM 493 N ARG A 125 8.416 2.747 5.335 1.00 0.00 N ATOM 494 CA ARG A 125 7.212 1.990 5.665 1.00 0.00 C ATOM 495 C ARG A 125 5.990 2.647 5.038 1.00 0.00 C ATOM 496 O ARG A 125 5.918 3.871 4.946 1.00 0.00 O ATOM 497 CB ARG A 125 7.034 1.898 7.183 1.00 0.00 C ATOM 498 CG ARG A 125 6.823 3.247 7.850 1.00 0.00 C ATOM 499 CD ARG A 125 6.663 3.111 9.356 1.00 0.00 C ATOM 500 NE ARG A 125 5.519 2.276 9.714 1.00 0.00 N ATOM 501 CZ ARG A 125 5.151 2.029 10.968 1.00 0.00 C ATOM 502 NH1 ARG A 125 5.831 2.554 11.978 1.00 0.00 N ATOM 503 NH2 ARG A 125 4.102 1.256 11.213 1.00 0.00 N ATOM 0 H ARG A 125 8.456 3.677 5.753 1.00 0.00 H new ATOM 0 HA ARG A 125 7.319 0.982 5.264 1.00 0.00 H new ATOM 0 HB2 ARG A 125 6.182 1.255 7.403 1.00 0.00 H new ATOM 0 HB3 ARG A 125 7.913 1.421 7.616 1.00 0.00 H new ATOM 0 HG2 ARG A 125 7.670 3.897 7.631 1.00 0.00 H new ATOM 0 HG3 ARG A 125 5.937 3.725 7.432 1.00 0.00 H new ATOM 0 HD2 ARG A 125 7.571 2.682 9.779 1.00 0.00 H new ATOM 0 HD3 ARG A 125 6.542 4.100 9.798 1.00 0.00 H new ATOM 0 HE ARG A 125 4.972 1.859 8.961 1.00 0.00 H new ATOM 0 HH11 ARG A 125 6.639 3.149 11.794 1.00 0.00 H new ATOM 0 HH12 ARG A 125 5.546 2.363 12.939 1.00 0.00 H new ATOM 0 HH21 ARG A 125 3.576 0.850 10.439 1.00 0.00 H new ATOM 0 HH22 ARG A 125 3.821 1.067 12.175 1.00 0.00 H new ATOM 517 N VAL A 126 5.031 1.837 4.603 1.00 0.00 N ATOM 518 CA VAL A 126 3.828 2.378 3.986 1.00 0.00 C ATOM 519 C VAL A 126 2.559 1.741 4.541 1.00 0.00 C ATOM 520 O VAL A 126 2.434 0.515 4.613 1.00 0.00 O ATOM 521 CB VAL A 126 3.850 2.216 2.455 1.00 0.00 C ATOM 522 CG1 VAL A 126 4.074 0.767 2.060 1.00 0.00 C ATOM 523 CG2 VAL A 126 2.562 2.744 1.850 1.00 0.00 C ATOM 0 H VAL A 126 5.062 0.819 4.665 1.00 0.00 H new ATOM 0 HA VAL A 126 3.818 3.440 4.231 1.00 0.00 H new ATOM 0 HB VAL A 126 4.683 2.800 2.064 1.00 0.00 H new ATOM 0 HG11 VAL A 126 4.085 0.684 0.973 1.00 0.00 H new ATOM 0 HG12 VAL A 126 5.028 0.424 2.460 1.00 0.00 H new ATOM 0 HG13 VAL A 126 3.270 0.151 2.463 1.00 0.00 H new ATOM 0 HG21 VAL A 126 2.592 2.623 0.767 1.00 0.00 H new ATOM 0 HG22 VAL A 126 1.716 2.188 2.254 1.00 0.00 H new ATOM 0 HG23 VAL A 126 2.452 3.801 2.094 1.00 0.00 H new ATOM 533 N GLU A 127 1.618 2.602 4.920 1.00 0.00 N ATOM 534 CA GLU A 127 0.335 2.172 5.462 1.00 0.00 C ATOM 535 C GLU A 127 -0.735 2.197 4.373 1.00 0.00 C ATOM 536 O GLU A 127 -0.810 3.148 3.593 1.00 0.00 O ATOM 537 CB GLU A 127 -0.080 3.082 6.622 1.00 0.00 C ATOM 538 CG GLU A 127 0.862 3.027 7.815 1.00 0.00 C ATOM 539 CD GLU A 127 2.256 3.529 7.489 1.00 0.00 C ATOM 540 OE1 GLU A 127 2.386 4.708 7.096 1.00 0.00 O ATOM 541 OE2 GLU A 127 3.217 2.743 7.626 1.00 0.00 O ATOM 0 H GLU A 127 1.724 3.615 4.860 1.00 0.00 H new ATOM 0 HA GLU A 127 0.438 1.152 5.831 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -0.136 4.110 6.263 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -1.082 2.803 6.949 1.00 0.00 H new ATOM 0 HG2 GLU A 127 0.447 3.624 8.627 1.00 0.00 H new ATOM 0 HG3 GLU A 127 0.926 2.000 8.174 1.00 0.00 H new ATOM 548 N PHE A 128 -1.556 1.154 4.317 1.00 0.00 N ATOM 549 CA PHE A 128 -2.611 1.073 3.311 1.00 0.00 C ATOM 550 C PHE A 128 -3.996 1.159 3.943 1.00 0.00 C ATOM 551 O PHE A 128 -4.238 0.613 5.019 1.00 0.00 O ATOM 552 CB PHE A 128 -2.498 -0.223 2.505 1.00 0.00 C ATOM 553 CG PHE A 128 -1.206 -0.365 1.754 1.00 0.00 C ATOM 554 CD1 PHE A 128 -0.019 -0.600 2.427 1.00 0.00 C ATOM 555 CD2 PHE A 128 -1.181 -0.261 0.371 1.00 0.00 C ATOM 556 CE1 PHE A 128 1.169 -0.731 1.736 1.00 0.00 C ATOM 557 CE2 PHE A 128 0.006 -0.390 -0.324 1.00 0.00 C ATOM 558 CZ PHE A 128 1.182 -0.627 0.359 1.00 0.00 C ATOM 0 H PHE A 128 -1.513 0.357 4.952 1.00 0.00 H new ATOM 0 HA PHE A 128 -2.481 1.924 2.643 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -2.608 -1.070 3.182 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -3.325 -0.271 1.797 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -0.023 -0.682 3.504 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -2.099 -0.077 -0.168 1.00 0.00 H new ATOM 0 HE1 PHE A 128 2.088 -0.915 2.272 1.00 0.00 H new ATOM 0 HE2 PHE A 128 0.014 -0.306 -1.401 1.00 0.00 H new ATOM 0 HZ PHE A 128 2.111 -0.731 -0.183 1.00 0.00 H new ATOM 568 N ARG A 129 -4.906 1.835 3.249 1.00 0.00 N ATOM 569 CA ARG A 129 -6.279 1.986 3.715 1.00 0.00 C ATOM 570 C ARG A 129 -7.182 2.426 2.566 1.00 0.00 C ATOM 571 O ARG A 129 -6.896 3.408 1.878 1.00 0.00 O ATOM 572 CB ARG A 129 -6.363 2.989 4.869 1.00 0.00 C ATOM 573 CG ARG A 129 -5.953 4.399 4.497 1.00 0.00 C ATOM 574 CD ARG A 129 -6.241 5.374 5.627 1.00 0.00 C ATOM 575 NE ARG A 129 -5.939 6.754 5.258 1.00 0.00 N ATOM 576 CZ ARG A 129 -6.177 7.795 6.050 1.00 0.00 C ATOM 577 NH1 ARG A 129 -6.723 7.613 7.246 1.00 0.00 N ATOM 578 NH2 ARG A 129 -5.872 9.021 5.647 1.00 0.00 N ATOM 0 H ARG A 129 -4.715 2.290 2.356 1.00 0.00 H new ATOM 0 HA ARG A 129 -6.619 1.018 4.083 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -7.386 3.007 5.246 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -5.729 2.641 5.685 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -4.890 4.420 4.258 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -6.488 4.711 3.600 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -7.290 5.298 5.911 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -5.653 5.097 6.502 1.00 0.00 H new ATOM 0 HE ARG A 129 -5.523 6.929 4.343 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -6.961 6.672 7.560 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -6.904 8.414 7.851 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -5.454 9.167 4.728 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -6.055 9.818 6.256 1.00 0.00 H new ATOM 592 N CYS A 130 -8.264 1.683 2.354 1.00 0.00 N ATOM 593 CA CYS A 130 -9.201 1.988 1.279 1.00 0.00 C ATOM 594 C CYS A 130 -10.288 2.950 1.751 1.00 0.00 C ATOM 595 O CYS A 130 -10.785 2.841 2.874 1.00 0.00 O ATOM 596 CB CYS A 130 -9.833 0.699 0.744 1.00 0.00 C ATOM 597 SG CYS A 130 -10.745 0.917 -0.818 1.00 0.00 S ATOM 0 H CYS A 130 -8.513 0.866 2.912 1.00 0.00 H new ATOM 0 HA CYS A 130 -8.646 2.472 0.476 1.00 0.00 H new ATOM 0 HB2 CYS A 130 -9.049 -0.044 0.595 1.00 0.00 H new ATOM 0 HB3 CYS A 130 -10.512 0.299 1.497 1.00 0.00 H new ATOM 602 N ASP A 131 -10.652 3.891 0.883 1.00 0.00 N ATOM 603 CA ASP A 131 -11.680 4.880 1.195 1.00 0.00 C ATOM 604 C ASP A 131 -12.983 4.208 1.626 1.00 0.00 C ATOM 605 O ASP A 131 -13.196 3.025 1.359 1.00 0.00 O ATOM 606 CB ASP A 131 -11.934 5.775 -0.020 1.00 0.00 C ATOM 607 CG ASP A 131 -10.725 6.613 -0.385 1.00 0.00 C ATOM 608 OD1 ASP A 131 -10.270 7.402 0.470 1.00 0.00 O ATOM 609 OD2 ASP A 131 -10.234 6.482 -1.525 1.00 0.00 O ATOM 0 H ASP A 131 -10.247 3.989 -0.048 1.00 0.00 H new ATOM 0 HA ASP A 131 -11.320 5.489 2.025 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -12.213 5.155 -0.872 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -12.779 6.432 0.187 1.00 0.00 H new ATOM 614 N PRO A 132 -13.879 4.958 2.301 1.00 0.00 N ATOM 615 CA PRO A 132 -15.169 4.436 2.767 1.00 0.00 C ATOM 616 C PRO A 132 -15.924 3.706 1.661 1.00 0.00 C ATOM 617 O PRO A 132 -15.578 3.822 0.485 1.00 0.00 O ATOM 618 CB PRO A 132 -15.941 5.689 3.211 1.00 0.00 C ATOM 619 CG PRO A 132 -15.136 6.853 2.731 1.00 0.00 C ATOM 620 CD PRO A 132 -13.716 6.373 2.659 1.00 0.00 C ATOM 0 HA PRO A 132 -15.044 3.704 3.565 1.00 0.00 H new ATOM 0 HB2 PRO A 132 -16.943 5.703 2.783 1.00 0.00 H new ATOM 0 HB3 PRO A 132 -16.057 5.714 4.295 1.00 0.00 H new ATOM 0 HG2 PRO A 132 -15.483 7.191 1.755 1.00 0.00 H new ATOM 0 HG3 PRO A 132 -15.228 7.699 3.413 1.00 0.00 H new ATOM 0 HD2 PRO A 132 -13.141 6.918 1.910 1.00 0.00 H new ATOM 0 HD3 PRO A 132 -13.197 6.494 3.610 1.00 0.00 H new ATOM 628 N ASP A 133 -16.945 2.940 2.051 1.00 0.00 N ATOM 629 CA ASP A 133 -17.748 2.169 1.102 1.00 0.00 C ATOM 630 C ASP A 133 -16.978 0.939 0.630 1.00 0.00 C ATOM 631 O ASP A 133 -17.560 -0.009 0.108 1.00 0.00 O ATOM 632 CB ASP A 133 -18.163 3.028 -0.097 1.00 0.00 C ATOM 633 CG ASP A 133 -18.983 4.238 0.309 1.00 0.00 C ATOM 634 OD1 ASP A 133 -19.248 4.398 1.519 1.00 0.00 O ATOM 635 OD2 ASP A 133 -19.361 5.025 -0.584 1.00 0.00 O ATOM 0 H ASP A 133 -17.236 2.838 3.023 1.00 0.00 H new ATOM 0 HA ASP A 133 -18.653 1.843 1.614 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -17.271 3.360 -0.628 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -18.740 2.419 -0.793 1.00 0.00 H new ATOM 640 N PHE A 134 -15.664 0.962 0.826 1.00 0.00 N ATOM 641 CA PHE A 134 -14.810 -0.153 0.435 1.00 0.00 C ATOM 642 C PHE A 134 -13.886 -0.531 1.592 1.00 0.00 C ATOM 643 O PHE A 134 -13.250 0.335 2.191 1.00 0.00 O ATOM 644 CB PHE A 134 -13.971 0.207 -0.796 1.00 0.00 C ATOM 645 CG PHE A 134 -14.778 0.577 -2.010 1.00 0.00 C ATOM 646 CD1 PHE A 134 -15.515 1.751 -2.044 1.00 0.00 C ATOM 647 CD2 PHE A 134 -14.787 -0.247 -3.125 1.00 0.00 C ATOM 648 CE1 PHE A 134 -16.249 2.093 -3.164 1.00 0.00 C ATOM 649 CE2 PHE A 134 -15.518 0.091 -4.247 1.00 0.00 C ATOM 650 CZ PHE A 134 -16.250 1.261 -4.267 1.00 0.00 C ATOM 0 H PHE A 134 -15.167 1.743 1.254 1.00 0.00 H new ATOM 0 HA PHE A 134 -15.448 -1.001 0.185 1.00 0.00 H new ATOM 0 HB2 PHE A 134 -13.315 1.040 -0.543 1.00 0.00 H new ATOM 0 HB3 PHE A 134 -13.330 -0.639 -1.044 1.00 0.00 H new ATOM 0 HD1 PHE A 134 -15.515 2.406 -1.185 1.00 0.00 H new ATOM 0 HD2 PHE A 134 -14.216 -1.164 -3.116 1.00 0.00 H new ATOM 0 HE1 PHE A 134 -16.821 3.009 -3.177 1.00 0.00 H new ATOM 0 HE2 PHE A 134 -15.517 -0.560 -5.109 1.00 0.00 H new ATOM 0 HZ PHE A 134 -16.823 1.526 -5.144 1.00 0.00 H new ATOM 660 N HIS A 135 -13.817 -1.821 1.907 1.00 0.00 N ATOM 661 CA HIS A 135 -12.967 -2.286 3.001 1.00 0.00 C ATOM 662 C HIS A 135 -11.685 -2.919 2.471 1.00 0.00 C ATOM 663 O HIS A 135 -11.731 -3.868 1.688 1.00 0.00 O ATOM 664 CB HIS A 135 -13.710 -3.309 3.862 1.00 0.00 C ATOM 665 CG HIS A 135 -15.091 -2.888 4.250 1.00 0.00 C ATOM 666 ND1 HIS A 135 -15.632 -2.625 5.464 1.00 0.00 N flip ATOM 667 CD2 HIS A 135 -16.105 -2.705 3.334 1.00 0.00 C flip ATOM 668 CE1 HIS A 135 -16.948 -2.295 5.258 1.00 0.00 C flip ATOM 669 NE2 HIS A 135 -17.208 -2.350 3.965 1.00 0.00 N flip ATOM 0 H HIS A 135 -14.334 -2.558 1.426 1.00 0.00 H new ATOM 0 HA HIS A 135 -12.710 -1.417 3.606 1.00 0.00 H new ATOM 0 HB2 HIS A 135 -13.768 -4.252 3.319 1.00 0.00 H new ATOM 0 HB3 HIS A 135 -13.131 -3.497 4.766 1.00 0.00 H new ATOM 0 HD1 HIS A 135 -15.151 -2.665 6.363 1.00 0.00 H new ATOM 0 HD2 HIS A 135 -16.011 -2.832 2.266 1.00 0.00 H new ATOM 0 HE1 HIS A 135 -17.657 -2.033 6.029 1.00 0.00 H new ATOM 678 N LEU A 136 -10.542 -2.407 2.916 1.00 0.00 N ATOM 679 CA LEU A 136 -9.257 -2.949 2.494 1.00 0.00 C ATOM 680 C LEU A 136 -8.955 -4.215 3.291 1.00 0.00 C ATOM 681 O LEU A 136 -8.858 -4.177 4.518 1.00 0.00 O ATOM 682 CB LEU A 136 -8.145 -1.911 2.688 1.00 0.00 C ATOM 683 CG LEU A 136 -6.823 -2.218 1.974 1.00 0.00 C ATOM 684 CD1 LEU A 136 -5.871 -1.039 2.094 1.00 0.00 C ATOM 685 CD2 LEU A 136 -6.175 -3.477 2.533 1.00 0.00 C ATOM 0 H LEU A 136 -10.480 -1.622 3.565 1.00 0.00 H new ATOM 0 HA LEU A 136 -9.303 -3.197 1.434 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -8.510 -0.944 2.340 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -7.947 -1.812 3.755 1.00 0.00 H new ATOM 0 HG LEU A 136 -7.042 -2.390 0.920 1.00 0.00 H new ATOM 0 HD11 LEU A 136 -4.937 -1.272 1.582 1.00 0.00 H new ATOM 0 HD12 LEU A 136 -6.324 -0.158 1.639 1.00 0.00 H new ATOM 0 HD13 LEU A 136 -5.668 -0.841 3.146 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -5.240 -3.669 2.007 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -5.973 -3.341 3.595 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -6.848 -4.324 2.397 1.00 0.00 H new ATOM 697 N VAL A 137 -8.820 -5.336 2.591 1.00 0.00 N ATOM 698 CA VAL A 137 -8.546 -6.612 3.241 1.00 0.00 C ATOM 699 C VAL A 137 -7.483 -7.408 2.488 1.00 0.00 C ATOM 700 O VAL A 137 -7.806 -8.357 1.772 1.00 0.00 O ATOM 701 CB VAL A 137 -9.825 -7.462 3.347 1.00 0.00 C ATOM 702 CG1 VAL A 137 -9.553 -8.756 4.103 1.00 0.00 C ATOM 703 CG2 VAL A 137 -10.942 -6.673 4.015 1.00 0.00 C ATOM 0 H VAL A 137 -8.896 -5.387 1.575 1.00 0.00 H new ATOM 0 HA VAL A 137 -8.176 -6.384 4.240 1.00 0.00 H new ATOM 0 HB VAL A 137 -10.146 -7.719 2.338 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -10.471 -9.341 4.166 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -8.791 -9.332 3.577 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -9.202 -8.523 5.108 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -11.837 -7.292 4.080 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -10.631 -6.379 5.017 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -11.160 -5.782 3.427 1.00 0.00 H new ATOM 713 N GLY A 138 -6.218 -7.030 2.642 1.00 0.00 N ATOM 714 CA GLY A 138 -5.163 -7.747 1.954 1.00 0.00 C ATOM 715 C GLY A 138 -3.779 -7.324 2.390 1.00 0.00 C ATOM 716 O GLY A 138 -2.987 -6.849 1.577 1.00 0.00 O ATOM 0 H GLY A 138 -5.908 -6.251 3.223 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -5.283 -8.816 2.131 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -5.264 -7.588 0.880 1.00 0.00 H new ATOM 720 N SER A 139 -3.487 -7.492 3.677 1.00 0.00 N ATOM 721 CA SER A 139 -2.188 -7.116 4.211 1.00 0.00 C ATOM 722 C SER A 139 -1.881 -5.673 3.846 1.00 0.00 C ATOM 723 O SER A 139 -0.990 -5.396 3.041 1.00 0.00 O ATOM 724 CB SER A 139 -1.105 -8.046 3.673 1.00 0.00 C ATOM 725 OG SER A 139 0.178 -7.639 4.113 1.00 0.00 O ATOM 0 H SER A 139 -4.131 -7.884 4.364 1.00 0.00 H new ATOM 0 HA SER A 139 -2.209 -7.208 5.297 1.00 0.00 H new ATOM 0 HB2 SER A 139 -1.300 -9.066 4.003 1.00 0.00 H new ATOM 0 HB3 SER A 139 -1.135 -8.053 2.583 1.00 0.00 H new ATOM 0 HG SER A 139 0.603 -7.091 3.420 1.00 0.00 H new ATOM 731 N SER A 140 -2.654 -4.762 4.422 1.00 0.00 N ATOM 732 CA SER A 140 -2.514 -3.343 4.161 1.00 0.00 C ATOM 733 C SER A 140 -1.236 -2.770 4.784 1.00 0.00 C ATOM 734 O SER A 140 -1.226 -1.639 5.274 1.00 0.00 O ATOM 735 CB SER A 140 -3.746 -2.626 4.705 1.00 0.00 C ATOM 736 OG SER A 140 -3.779 -2.670 6.121 1.00 0.00 O ATOM 0 H SER A 140 -3.396 -4.991 5.084 1.00 0.00 H new ATOM 0 HA SER A 140 -2.434 -3.189 3.085 1.00 0.00 H new ATOM 0 HB2 SER A 140 -3.744 -1.589 4.370 1.00 0.00 H new ATOM 0 HB3 SER A 140 -4.647 -3.089 4.303 1.00 0.00 H new ATOM 0 HG SER A 140 -4.577 -2.202 6.444 1.00 0.00 H new ATOM 742 N ARG A 141 -0.160 -3.552 4.748 1.00 0.00 N ATOM 743 CA ARG A 141 1.126 -3.130 5.290 1.00 0.00 C ATOM 744 C ARG A 141 2.263 -3.599 4.384 1.00 0.00 C ATOM 745 O ARG A 141 2.297 -4.757 3.970 1.00 0.00 O ATOM 746 CB ARG A 141 1.315 -3.687 6.702 1.00 0.00 C ATOM 747 CG ARG A 141 2.654 -3.331 7.327 1.00 0.00 C ATOM 748 CD ARG A 141 2.777 -3.885 8.737 1.00 0.00 C ATOM 749 NE ARG A 141 4.074 -3.580 9.337 1.00 0.00 N ATOM 750 CZ ARG A 141 4.512 -2.345 9.571 1.00 0.00 C ATOM 751 NH1 ARG A 141 3.757 -1.298 9.267 1.00 0.00 N ATOM 752 NH2 ARG A 141 5.707 -2.158 10.114 1.00 0.00 N ATOM 0 H ARG A 141 -0.156 -4.489 4.345 1.00 0.00 H new ATOM 0 HA ARG A 141 1.142 -2.041 5.337 1.00 0.00 H new ATOM 0 HB2 ARG A 141 0.515 -3.312 7.341 1.00 0.00 H new ATOM 0 HB3 ARG A 141 1.216 -4.772 6.671 1.00 0.00 H new ATOM 0 HG2 ARG A 141 3.461 -3.725 6.709 1.00 0.00 H new ATOM 0 HG3 ARG A 141 2.769 -2.247 7.350 1.00 0.00 H new ATOM 0 HD2 ARG A 141 1.984 -3.470 9.359 1.00 0.00 H new ATOM 0 HD3 ARG A 141 2.633 -4.965 8.715 1.00 0.00 H new ATOM 0 HE ARG A 141 4.680 -4.360 9.592 1.00 0.00 H new ATOM 0 HH11 ARG A 141 2.836 -1.437 8.852 1.00 0.00 H new ATOM 0 HH12 ARG A 141 4.098 -0.354 9.448 1.00 0.00 H new ATOM 0 HH21 ARG A 141 6.290 -2.960 10.352 1.00 0.00 H new ATOM 0 HH22 ARG A 141 6.043 -1.212 10.294 1.00 0.00 H new ATOM 766 N SER A 142 3.187 -2.696 4.073 1.00 0.00 N ATOM 767 CA SER A 142 4.318 -3.026 3.209 1.00 0.00 C ATOM 768 C SER A 142 5.535 -2.172 3.558 1.00 0.00 C ATOM 769 O SER A 142 5.395 -1.025 3.979 1.00 0.00 O ATOM 770 CB SER A 142 3.941 -2.818 1.740 1.00 0.00 C ATOM 771 OG SER A 142 2.847 -3.641 1.374 1.00 0.00 O ATOM 0 H SER A 142 3.176 -1.732 4.405 1.00 0.00 H new ATOM 0 HA SER A 142 4.572 -4.074 3.368 1.00 0.00 H new ATOM 0 HB2 SER A 142 3.686 -1.772 1.571 1.00 0.00 H new ATOM 0 HB3 SER A 142 4.798 -3.043 1.106 1.00 0.00 H new ATOM 0 HG SER A 142 3.106 -4.214 0.623 1.00 0.00 H new ATOM 777 N VAL A 143 6.726 -2.738 3.387 1.00 0.00 N ATOM 778 CA VAL A 143 7.958 -2.020 3.692 1.00 0.00 C ATOM 779 C VAL A 143 9.089 -2.442 2.759 1.00 0.00 C ATOM 780 O VAL A 143 9.327 -3.632 2.552 1.00 0.00 O ATOM 781 CB VAL A 143 8.395 -2.251 5.154 1.00 0.00 C ATOM 782 CG1 VAL A 143 8.605 -3.732 5.428 1.00 0.00 C ATOM 783 CG2 VAL A 143 9.656 -1.462 5.471 1.00 0.00 C ATOM 0 H VAL A 143 6.863 -3.687 3.040 1.00 0.00 H new ATOM 0 HA VAL A 143 7.751 -0.960 3.546 1.00 0.00 H new ATOM 0 HB VAL A 143 7.597 -1.895 5.806 1.00 0.00 H new ATOM 0 HG11 VAL A 143 8.913 -3.870 6.465 1.00 0.00 H new ATOM 0 HG12 VAL A 143 7.674 -4.270 5.251 1.00 0.00 H new ATOM 0 HG13 VAL A 143 9.379 -4.118 4.765 1.00 0.00 H new ATOM 0 HG21 VAL A 143 9.946 -1.640 6.507 1.00 0.00 H new ATOM 0 HG22 VAL A 143 10.461 -1.781 4.809 1.00 0.00 H new ATOM 0 HG23 VAL A 143 9.466 -0.399 5.325 1.00 0.00 H new ATOM 793 N CYS A 144 9.786 -1.455 2.201 1.00 0.00 N ATOM 794 CA CYS A 144 10.898 -1.722 1.296 1.00 0.00 C ATOM 795 C CYS A 144 12.024 -2.430 2.042 1.00 0.00 C ATOM 796 O CYS A 144 12.215 -2.214 3.239 1.00 0.00 O ATOM 797 CB CYS A 144 11.415 -0.421 0.679 1.00 0.00 C ATOM 798 SG CYS A 144 10.133 0.589 -0.134 1.00 0.00 S ATOM 0 H CYS A 144 9.600 -0.465 2.360 1.00 0.00 H new ATOM 0 HA CYS A 144 10.542 -2.368 0.494 1.00 0.00 H new ATOM 0 HB2 CYS A 144 11.888 0.174 1.460 1.00 0.00 H new ATOM 0 HB3 CYS A 144 12.188 -0.661 -0.051 1.00 0.00 H new ATOM 803 N SER A 145 12.763 -3.282 1.338 1.00 0.00 N ATOM 804 CA SER A 145 13.857 -4.023 1.956 1.00 0.00 C ATOM 805 C SER A 145 14.967 -4.313 0.953 1.00 0.00 C ATOM 806 O SER A 145 16.140 -4.405 1.320 1.00 0.00 O ATOM 807 CB SER A 145 13.336 -5.332 2.554 1.00 0.00 C ATOM 808 OG SER A 145 12.308 -5.088 3.498 1.00 0.00 O ATOM 0 H SER A 145 12.626 -3.476 0.346 1.00 0.00 H new ATOM 0 HA SER A 145 14.273 -3.405 2.751 1.00 0.00 H new ATOM 0 HB2 SER A 145 12.958 -5.974 1.758 1.00 0.00 H new ATOM 0 HB3 SER A 145 14.155 -5.868 3.034 1.00 0.00 H new ATOM 0 HG SER A 145 11.991 -5.940 3.864 1.00 0.00 H new ATOM 814 N GLN A 146 14.589 -4.461 -0.308 1.00 0.00 N ATOM 815 CA GLN A 146 15.548 -4.748 -1.371 1.00 0.00 C ATOM 816 C GLN A 146 14.887 -4.645 -2.743 1.00 0.00 C ATOM 817 O GLN A 146 14.941 -5.580 -3.542 1.00 0.00 O ATOM 818 CB GLN A 146 16.150 -6.142 -1.177 1.00 0.00 C ATOM 819 CG GLN A 146 15.110 -7.247 -1.082 1.00 0.00 C ATOM 820 CD GLN A 146 15.728 -8.612 -0.858 1.00 0.00 C ATOM 821 OE1 GLN A 146 16.413 -8.838 0.141 1.00 0.00 O ATOM 822 NE2 GLN A 146 15.489 -9.531 -1.786 1.00 0.00 N ATOM 0 H GLN A 146 13.622 -4.387 -0.624 1.00 0.00 H new ATOM 0 HA GLN A 146 16.346 -4.007 -1.320 1.00 0.00 H new ATOM 0 HB2 GLN A 146 16.822 -6.357 -2.008 1.00 0.00 H new ATOM 0 HB3 GLN A 146 16.754 -6.144 -0.270 1.00 0.00 H new ATOM 0 HG2 GLN A 146 14.423 -7.025 -0.265 1.00 0.00 H new ATOM 0 HG3 GLN A 146 14.520 -7.265 -1.998 1.00 0.00 H new ATOM 0 HE21 GLN A 146 14.916 -9.299 -2.597 1.00 0.00 H new ATOM 0 HE22 GLN A 146 15.879 -10.469 -1.688 1.00 0.00 H new ATOM 831 N GLY A 147 14.260 -3.503 -3.005 1.00 0.00 N ATOM 832 CA GLY A 147 13.590 -3.300 -4.275 1.00 0.00 C ATOM 833 C GLY A 147 12.373 -4.190 -4.421 1.00 0.00 C ATOM 834 O GLY A 147 12.140 -4.771 -5.481 1.00 0.00 O ATOM 0 H GLY A 147 14.204 -2.715 -2.360 1.00 0.00 H new ATOM 0 HA2 GLY A 147 13.289 -2.256 -4.364 1.00 0.00 H new ATOM 0 HA3 GLY A 147 14.286 -3.501 -5.089 1.00 0.00 H new ATOM 838 N GLN A 148 11.600 -4.294 -3.345 1.00 0.00 N ATOM 839 CA GLN A 148 10.397 -5.116 -3.332 1.00 0.00 C ATOM 840 C GLN A 148 9.623 -4.895 -2.037 1.00 0.00 C ATOM 841 O GLN A 148 10.211 -4.829 -0.958 1.00 0.00 O ATOM 842 CB GLN A 148 10.763 -6.597 -3.475 1.00 0.00 C ATOM 843 CG GLN A 148 9.561 -7.529 -3.485 1.00 0.00 C ATOM 844 CD GLN A 148 8.647 -7.299 -4.674 1.00 0.00 C ATOM 845 OE1 GLN A 148 8.086 -6.217 -4.843 1.00 0.00 O ATOM 846 NE2 GLN A 148 8.491 -8.323 -5.505 1.00 0.00 N ATOM 0 H GLN A 148 11.788 -3.815 -2.464 1.00 0.00 H new ATOM 0 HA GLN A 148 9.769 -4.826 -4.174 1.00 0.00 H new ATOM 0 HB2 GLN A 148 11.325 -6.735 -4.398 1.00 0.00 H new ATOM 0 HB3 GLN A 148 11.423 -6.879 -2.655 1.00 0.00 H new ATOM 0 HG2 GLN A 148 9.908 -8.562 -3.494 1.00 0.00 H new ATOM 0 HG3 GLN A 148 8.993 -7.392 -2.565 1.00 0.00 H new ATOM 0 HE21 GLN A 148 8.975 -9.203 -5.327 1.00 0.00 H new ATOM 0 HE22 GLN A 148 7.887 -8.230 -6.321 1.00 0.00 H new ATOM 855 N TRP A 149 8.306 -4.774 -2.150 1.00 0.00 N ATOM 856 CA TRP A 149 7.463 -4.552 -0.983 1.00 0.00 C ATOM 857 C TRP A 149 7.125 -5.873 -0.302 1.00 0.00 C ATOM 858 O TRP A 149 6.957 -6.897 -0.964 1.00 0.00 O ATOM 859 CB TRP A 149 6.183 -3.816 -1.378 1.00 0.00 C ATOM 860 CG TRP A 149 6.433 -2.583 -2.193 1.00 0.00 C ATOM 861 CD1 TRP A 149 6.673 -2.525 -3.536 1.00 0.00 C ATOM 862 CD2 TRP A 149 6.491 -1.233 -1.716 1.00 0.00 C ATOM 863 NE1 TRP A 149 6.855 -1.220 -3.927 1.00 0.00 N ATOM 864 CE2 TRP A 149 6.751 -0.409 -2.828 1.00 0.00 C ATOM 865 CE3 TRP A 149 6.341 -0.640 -0.459 1.00 0.00 C ATOM 866 CZ2 TRP A 149 6.864 0.975 -2.719 1.00 0.00 C ATOM 867 CZ3 TRP A 149 6.455 0.734 -0.354 1.00 0.00 C ATOM 868 CH2 TRP A 149 6.713 1.528 -1.478 1.00 0.00 C ATOM 0 H TRP A 149 7.801 -4.826 -3.034 1.00 0.00 H new ATOM 0 HA TRP A 149 8.016 -3.933 -0.277 1.00 0.00 H new ATOM 0 HB2 TRP A 149 5.543 -4.493 -1.944 1.00 0.00 H new ATOM 0 HB3 TRP A 149 5.637 -3.542 -0.475 1.00 0.00 H new ATOM 0 HD1 TRP A 149 6.714 -3.380 -4.195 1.00 0.00 H new ATOM 0 HE1 TRP A 149 7.038 -0.906 -4.880 1.00 0.00 H new ATOM 0 HE3 TRP A 149 6.140 -1.244 0.414 1.00 0.00 H new ATOM 0 HZ2 TRP A 149 7.064 1.590 -3.584 1.00 0.00 H new ATOM 0 HZ3 TRP A 149 6.343 1.203 0.612 1.00 0.00 H new ATOM 0 HH2 TRP A 149 6.794 2.599 -1.362 1.00 0.00 H new ATOM 879 N SER A 150 7.042 -5.845 1.026 1.00 0.00 N ATOM 880 CA SER A 150 6.742 -7.042 1.805 1.00 0.00 C ATOM 881 C SER A 150 5.509 -7.765 1.275 1.00 0.00 C ATOM 882 O SER A 150 5.539 -8.977 1.059 1.00 0.00 O ATOM 883 CB SER A 150 6.536 -6.681 3.276 1.00 0.00 C ATOM 884 OG SER A 150 7.704 -6.099 3.826 1.00 0.00 O ATOM 0 H SER A 150 7.179 -5.003 1.586 1.00 0.00 H new ATOM 0 HA SER A 150 7.595 -7.715 1.712 1.00 0.00 H new ATOM 0 HB2 SER A 150 5.701 -5.987 3.370 1.00 0.00 H new ATOM 0 HB3 SER A 150 6.272 -7.576 3.840 1.00 0.00 H new ATOM 0 HG SER A 150 7.839 -6.435 4.737 1.00 0.00 H new ATOM 890 N THR A 151 4.419 -7.027 1.071 1.00 0.00 N ATOM 891 CA THR A 151 3.188 -7.633 0.573 1.00 0.00 C ATOM 892 C THR A 151 2.599 -6.852 -0.602 1.00 0.00 C ATOM 893 O THR A 151 2.554 -5.622 -0.584 1.00 0.00 O ATOM 894 CB THR A 151 2.129 -7.740 1.683 1.00 0.00 C ATOM 895 OG1 THR A 151 1.754 -6.432 2.131 1.00 0.00 O ATOM 896 CG2 THR A 151 2.660 -8.551 2.855 1.00 0.00 C ATOM 0 H THR A 151 4.363 -6.023 1.240 1.00 0.00 H new ATOM 0 HA THR A 151 3.457 -8.632 0.230 1.00 0.00 H new ATOM 0 HB THR A 151 1.254 -8.247 1.275 1.00 0.00 H new ATOM 0 HG1 THR A 151 2.345 -6.154 2.862 1.00 0.00 H new ATOM 0 HG21 THR A 151 1.896 -8.615 3.629 1.00 0.00 H new ATOM 0 HG22 THR A 151 2.918 -9.554 2.516 1.00 0.00 H new ATOM 0 HG23 THR A 151 3.548 -8.066 3.261 1.00 0.00 H new ATOM 904 N PRO A 152 2.138 -7.571 -1.644 1.00 0.00 N ATOM 905 CA PRO A 152 1.544 -6.959 -2.841 1.00 0.00 C ATOM 906 C PRO A 152 0.271 -6.177 -2.527 1.00 0.00 C ATOM 907 O PRO A 152 -0.364 -6.395 -1.496 1.00 0.00 O ATOM 908 CB PRO A 152 1.219 -8.156 -3.745 1.00 0.00 C ATOM 909 CG PRO A 152 2.043 -9.280 -3.214 1.00 0.00 C ATOM 910 CD PRO A 152 2.157 -9.040 -1.738 1.00 0.00 C ATOM 0 HA PRO A 152 2.221 -6.237 -3.296 1.00 0.00 H new ATOM 0 HB2 PRO A 152 0.156 -8.397 -3.713 1.00 0.00 H new ATOM 0 HB3 PRO A 152 1.466 -7.943 -4.785 1.00 0.00 H new ATOM 0 HG2 PRO A 152 1.572 -10.241 -3.419 1.00 0.00 H new ATOM 0 HG3 PRO A 152 3.026 -9.300 -3.684 1.00 0.00 H new ATOM 0 HD2 PRO A 152 1.330 -9.491 -1.190 1.00 0.00 H new ATOM 0 HD3 PRO A 152 3.076 -9.460 -1.330 1.00 0.00 H new ATOM 918 N LYS A 153 -0.089 -5.264 -3.425 1.00 0.00 N ATOM 919 CA LYS A 153 -1.284 -4.441 -3.253 1.00 0.00 C ATOM 920 C LYS A 153 -2.522 -5.303 -3.006 1.00 0.00 C ATOM 921 O LYS A 153 -2.739 -6.305 -3.689 1.00 0.00 O ATOM 922 CB LYS A 153 -1.502 -3.563 -4.486 1.00 0.00 C ATOM 923 CG LYS A 153 -0.389 -2.555 -4.723 1.00 0.00 C ATOM 924 CD LYS A 153 -0.255 -1.566 -3.572 1.00 0.00 C ATOM 925 CE LYS A 153 -1.434 -0.603 -3.505 1.00 0.00 C ATOM 926 NZ LYS A 153 -2.711 -1.296 -3.184 1.00 0.00 N ATOM 0 H LYS A 153 0.431 -5.075 -4.282 1.00 0.00 H new ATOM 0 HA LYS A 153 -1.130 -3.807 -2.380 1.00 0.00 H new ATOM 0 HB2 LYS A 153 -1.595 -4.202 -5.364 1.00 0.00 H new ATOM 0 HB3 LYS A 153 -2.447 -3.030 -4.379 1.00 0.00 H new ATOM 0 HG2 LYS A 153 0.555 -3.083 -4.858 1.00 0.00 H new ATOM 0 HG3 LYS A 153 -0.585 -2.011 -5.647 1.00 0.00 H new ATOM 0 HD2 LYS A 153 -0.180 -2.112 -2.632 1.00 0.00 H new ATOM 0 HD3 LYS A 153 0.669 -1.000 -3.687 1.00 0.00 H new ATOM 0 HE2 LYS A 153 -1.236 0.158 -2.750 1.00 0.00 H new ATOM 0 HE3 LYS A 153 -1.533 -0.087 -4.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 -3.227 -0.755 -2.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 -3.292 -1.368 -4.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 -2.507 -2.250 -2.823 1.00 0.00 H new ATOM 940 N PRO A 154 -3.350 -4.922 -2.017 1.00 0.00 N ATOM 941 CA PRO A 154 -4.569 -5.651 -1.663 1.00 0.00 C ATOM 942 C PRO A 154 -5.723 -5.355 -2.618 1.00 0.00 C ATOM 943 O PRO A 154 -5.512 -5.121 -3.808 1.00 0.00 O ATOM 944 CB PRO A 154 -4.902 -5.138 -0.250 1.00 0.00 C ATOM 945 CG PRO A 154 -3.789 -4.209 0.130 1.00 0.00 C ATOM 946 CD PRO A 154 -3.167 -3.753 -1.155 1.00 0.00 C ATOM 0 HA PRO A 154 -4.422 -6.730 -1.716 1.00 0.00 H new ATOM 0 HB2 PRO A 154 -5.861 -4.621 -0.240 1.00 0.00 H new ATOM 0 HB3 PRO A 154 -4.978 -5.965 0.457 1.00 0.00 H new ATOM 0 HG2 PRO A 154 -4.168 -3.361 0.701 1.00 0.00 H new ATOM 0 HG3 PRO A 154 -3.057 -4.716 0.759 1.00 0.00 H new ATOM 0 HD2 PRO A 154 -3.663 -2.869 -1.556 1.00 0.00 H new ATOM 0 HD3 PRO A 154 -2.114 -3.499 -1.031 1.00 0.00 H new ATOM 954 N HIS A 155 -6.945 -5.362 -2.085 1.00 0.00 N ATOM 955 CA HIS A 155 -8.133 -5.089 -2.886 1.00 0.00 C ATOM 956 C HIS A 155 -9.252 -4.528 -2.013 1.00 0.00 C ATOM 957 O HIS A 155 -9.347 -4.852 -0.829 1.00 0.00 O ATOM 958 CB HIS A 155 -8.605 -6.356 -3.602 1.00 0.00 C ATOM 959 CG HIS A 155 -8.943 -7.486 -2.680 1.00 0.00 C ATOM 960 ND1 HIS A 155 -8.023 -8.075 -1.839 1.00 0.00 N ATOM 961 CD2 HIS A 155 -10.112 -8.137 -2.471 1.00 0.00 C ATOM 962 CE1 HIS A 155 -8.610 -9.041 -1.154 1.00 0.00 C ATOM 963 NE2 HIS A 155 -9.877 -9.099 -1.518 1.00 0.00 N ATOM 0 H HIS A 155 -7.136 -5.554 -1.102 1.00 0.00 H new ATOM 0 HA HIS A 155 -7.872 -4.344 -3.637 1.00 0.00 H new ATOM 0 HB2 HIS A 155 -9.482 -6.116 -4.203 1.00 0.00 H new ATOM 0 HB3 HIS A 155 -7.826 -6.683 -4.291 1.00 0.00 H new ATOM 0 HD2 HIS A 155 -11.053 -7.937 -2.962 1.00 0.00 H new ATOM 0 HE1 HIS A 155 -8.134 -9.675 -0.421 1.00 0.00 H new ATOM 0 HE2 HIS A 155 -10.570 -9.752 -1.152 1.00 0.00 H new ATOM 972 N CYS A 156 -10.096 -3.685 -2.601 1.00 0.00 N ATOM 973 CA CYS A 156 -11.205 -3.082 -1.868 1.00 0.00 C ATOM 974 C CYS A 156 -12.487 -3.883 -2.068 1.00 0.00 C ATOM 975 O CYS A 156 -12.827 -4.262 -3.188 1.00 0.00 O ATOM 976 CB CYS A 156 -11.419 -1.634 -2.321 1.00 0.00 C ATOM 977 SG CYS A 156 -9.997 -0.533 -2.030 1.00 0.00 S ATOM 0 H CYS A 156 -10.034 -3.405 -3.580 1.00 0.00 H new ATOM 0 HA CYS A 156 -10.953 -3.090 -0.808 1.00 0.00 H new ATOM 0 HB2 CYS A 156 -11.653 -1.631 -3.386 1.00 0.00 H new ATOM 0 HB3 CYS A 156 -12.288 -1.229 -1.802 1.00 0.00 H new ATOM 982 N GLN A 157 -13.192 -4.138 -0.969 1.00 0.00 N ATOM 983 CA GLN A 157 -14.437 -4.900 -1.012 1.00 0.00 C ATOM 984 C GLN A 157 -15.645 -3.975 -0.893 1.00 0.00 C ATOM 985 O GLN A 157 -15.647 -3.042 -0.092 1.00 0.00 O ATOM 986 CB GLN A 157 -14.461 -5.932 0.118 1.00 0.00 C ATOM 987 CG GLN A 157 -15.727 -6.771 0.154 1.00 0.00 C ATOM 988 CD GLN A 157 -15.898 -7.621 -1.090 1.00 0.00 C ATOM 989 OE1 GLN A 157 -17.011 -7.435 -1.788 1.00 0.00 O flip ATOM 990 NE2 GLN A 157 -15.038 -8.439 -1.419 1.00 0.00 N flip ATOM 0 H GLN A 157 -12.922 -3.827 -0.036 1.00 0.00 H new ATOM 0 HA GLN A 157 -14.488 -5.415 -1.971 1.00 0.00 H new ATOM 0 HB2 GLN A 157 -13.601 -6.593 0.012 1.00 0.00 H new ATOM 0 HB3 GLN A 157 -14.351 -5.416 1.072 1.00 0.00 H new ATOM 0 HG2 GLN A 157 -15.705 -7.418 1.031 1.00 0.00 H new ATOM 0 HG3 GLN A 157 -16.591 -6.115 0.263 1.00 0.00 H new ATOM 0 HE21 GLN A 157 -14.197 -8.550 -0.853 1.00 0.00 H new ATOM 0 HE22 GLN A 157 -15.167 -9.005 -2.257 1.00 0.00 H new ATOM 999 N VAL A 158 -16.672 -4.243 -1.695 1.00 0.00 N ATOM 1000 CA VAL A 158 -17.885 -3.433 -1.676 1.00 0.00 C ATOM 1001 C VAL A 158 -18.539 -3.463 -0.299 1.00 0.00 C ATOM 1002 O VAL A 158 -18.695 -4.525 0.304 1.00 0.00 O ATOM 1003 CB VAL A 158 -18.901 -3.912 -2.733 1.00 0.00 C ATOM 1004 CG1 VAL A 158 -19.310 -5.355 -2.473 1.00 0.00 C ATOM 1005 CG2 VAL A 158 -20.120 -3.002 -2.756 1.00 0.00 C ATOM 0 H VAL A 158 -16.688 -5.013 -2.364 1.00 0.00 H new ATOM 0 HA VAL A 158 -17.589 -2.411 -1.912 1.00 0.00 H new ATOM 0 HB VAL A 158 -18.423 -3.866 -3.711 1.00 0.00 H new ATOM 0 HG11 VAL A 158 -20.027 -5.672 -3.230 1.00 0.00 H new ATOM 0 HG12 VAL A 158 -18.430 -5.996 -2.516 1.00 0.00 H new ATOM 0 HG13 VAL A 158 -19.767 -5.432 -1.486 1.00 0.00 H new ATOM 0 HG21 VAL A 158 -20.825 -3.357 -3.508 1.00 0.00 H new ATOM 0 HG22 VAL A 158 -20.599 -3.011 -1.777 1.00 0.00 H new ATOM 0 HG23 VAL A 158 -19.811 -1.986 -2.999 1.00 0.00 H new ATOM 1015 N ASN A 159 -18.914 -2.288 0.194 1.00 0.00 N ATOM 1016 CA ASN A 159 -19.546 -2.175 1.503 1.00 0.00 C ATOM 1017 C ASN A 159 -20.858 -2.952 1.543 1.00 0.00 C ATOM 1018 O ASN A 159 -20.885 -4.033 2.169 1.00 0.00 O ATOM 1019 CB ASN A 159 -19.799 -0.705 1.845 1.00 0.00 C ATOM 1020 CG ASN A 159 -20.285 -0.513 3.268 1.00 0.00 C ATOM 1021 OD1 ASN A 159 -21.333 -1.029 3.655 1.00 0.00 O ATOM 1022 ND2 ASN A 159 -19.521 0.235 4.056 1.00 0.00 N ATOM 1023 OXT ASN A 159 -21.846 -2.476 0.947 1.00 0.00 O ATOM 0 H ASN A 159 -18.791 -1.400 -0.293 1.00 0.00 H new ATOM 0 HA ASN A 159 -18.870 -2.602 2.244 1.00 0.00 H new ATOM 0 HB2 ASN A 159 -18.879 -0.138 1.700 1.00 0.00 H new ATOM 0 HB3 ASN A 159 -20.537 -0.297 1.155 1.00 0.00 H new ATOM 0 HD21 ASN A 159 -19.796 0.401 5.024 1.00 0.00 H new ATOM 0 HD22 ASN A 159 -18.660 0.643 3.693 1.00 0.00 H new TER 1030 ASN A 159