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 142 SER OG : rot 110:sc= -2.08! USER MOD Set 1.2: A 151 THR OG1 : rot -161:sc= 0.561 USER MOD Set 2.1: A 100 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 102 SER OG : rot 180:sc= -0.706 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 TYR OH : rot 130:sc= 0 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 ASN :FLIP amide:sc= -2.15 F(o=-3.2,f=-2.2) USER MOD Single : A 110 LYS NZ :NH3+ -172:sc=-0.00751 (180deg=-0.127) USER MOD Single : A 114 THR OG1 : rot 180:sc= -0.0106 USER MOD Single : A 135 HIS : no HD1:sc= -0.504 K(o=-0.5,f=-2.3) USER MOD Single : A 139 SER OG : rot 170:sc= -0.195 USER MOD Single : A 140 SER OG : rot 180:sc=-0.00852 USER MOD Single : A 145 SER OG : rot 180:sc= 0 USER MOD Single : A 146 GLN :FLIP amide:sc= 0 F(o=-1.4!,f=0) USER MOD Single : A 148 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 150 SER OG : rot 69:sc= -0.619 USER MOD Single : A 153 LYS NZ :NH3+ -125:sc= -3.03! (180deg=-6.14!) USER MOD Single : A 155 HIS : no HD1:sc= -0.643 K(o=-0.64,f=-1.4!) USER MOD Single : A 157 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 159 ASN :FLIP amide:sc= -3.49! C(o=-4!,f=-3.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 92 16.278 -9.526 -13.600 1.00 0.00 N ATOM 2 CA GLU A 92 15.227 -8.483 -13.469 1.00 0.00 C ATOM 3 C GLU A 92 15.344 -7.439 -14.578 1.00 0.00 C ATOM 4 O GLU A 92 15.713 -7.765 -15.707 1.00 0.00 O ATOM 5 CB GLU A 92 15.369 -7.829 -12.092 1.00 0.00 C ATOM 6 CG GLU A 92 16.747 -7.241 -11.836 1.00 0.00 C ATOM 7 CD GLU A 92 16.877 -6.646 -10.448 1.00 0.00 C ATOM 8 OE1 GLU A 92 16.692 -7.392 -9.463 1.00 0.00 O ATOM 9 OE2 GLU A 92 17.166 -5.436 -10.346 1.00 0.00 O ATOM 0 HA GLU A 92 14.243 -8.942 -13.565 1.00 0.00 H new ATOM 0 HB2 GLU A 92 14.623 -7.040 -11.995 1.00 0.00 H new ATOM 0 HB3 GLU A 92 15.151 -8.570 -11.323 1.00 0.00 H new ATOM 0 HG2 GLU A 92 17.500 -8.018 -11.966 1.00 0.00 H new ATOM 0 HG3 GLU A 92 16.953 -6.470 -12.579 1.00 0.00 H new ATOM 18 N ALA A 93 15.029 -6.185 -14.252 1.00 0.00 N ATOM 19 CA ALA A 93 15.100 -5.098 -15.225 1.00 0.00 C ATOM 20 C ALA A 93 14.739 -3.761 -14.587 1.00 0.00 C ATOM 21 O ALA A 93 13.914 -3.013 -15.115 1.00 0.00 O ATOM 22 CB ALA A 93 14.180 -5.382 -16.405 1.00 0.00 C ATOM 0 H ALA A 93 14.723 -5.898 -13.322 1.00 0.00 H new ATOM 0 HA ALA A 93 16.128 -5.036 -15.583 1.00 0.00 H new ATOM 0 HB1 ALA A 93 14.244 -4.563 -17.121 1.00 0.00 H new ATOM 0 HB2 ALA A 93 14.484 -6.311 -16.888 1.00 0.00 H new ATOM 0 HB3 ALA A 93 13.153 -5.476 -16.052 1.00 0.00 H new ATOM 28 N GLU A 94 15.360 -3.462 -13.450 1.00 0.00 N ATOM 29 CA GLU A 94 15.098 -2.211 -12.744 1.00 0.00 C ATOM 30 C GLU A 94 16.089 -2.009 -11.603 1.00 0.00 C ATOM 31 O GLU A 94 16.411 -2.947 -10.874 1.00 0.00 O ATOM 32 CB GLU A 94 13.671 -2.196 -12.194 1.00 0.00 C ATOM 33 CG GLU A 94 13.390 -3.310 -11.198 1.00 0.00 C ATOM 34 CD GLU A 94 11.996 -3.228 -10.608 1.00 0.00 C ATOM 35 OE1 GLU A 94 11.681 -2.201 -9.970 1.00 0.00 O ATOM 36 OE2 GLU A 94 11.219 -4.190 -10.783 1.00 0.00 O ATOM 0 H GLU A 94 16.046 -4.067 -12.998 1.00 0.00 H new ATOM 0 HA GLU A 94 15.216 -1.395 -13.457 1.00 0.00 H new ATOM 0 HB2 GLU A 94 13.486 -1.235 -11.713 1.00 0.00 H new ATOM 0 HB3 GLU A 94 12.970 -2.277 -13.024 1.00 0.00 H new ATOM 0 HG2 GLU A 94 13.515 -4.274 -11.692 1.00 0.00 H new ATOM 0 HG3 GLU A 94 14.124 -3.266 -10.393 1.00 0.00 H new ATOM 43 N PHE A 95 16.565 -0.777 -11.450 1.00 0.00 N ATOM 44 CA PHE A 95 17.512 -0.454 -10.390 1.00 0.00 C ATOM 45 C PHE A 95 16.890 -0.717 -9.024 1.00 0.00 C ATOM 46 O PHE A 95 15.774 -0.275 -8.747 1.00 0.00 O ATOM 47 CB PHE A 95 17.950 1.012 -10.483 1.00 0.00 C ATOM 48 CG PHE A 95 18.709 1.354 -11.737 1.00 0.00 C ATOM 49 CD1 PHE A 95 18.149 1.147 -12.989 1.00 0.00 C ATOM 50 CD2 PHE A 95 19.984 1.891 -11.660 1.00 0.00 C ATOM 51 CE1 PHE A 95 18.846 1.468 -14.138 1.00 0.00 C ATOM 52 CE2 PHE A 95 20.686 2.215 -12.806 1.00 0.00 C ATOM 53 CZ PHE A 95 20.116 2.003 -14.046 1.00 0.00 C ATOM 0 H PHE A 95 16.311 0.011 -12.045 1.00 0.00 H new ATOM 0 HA PHE A 95 18.388 -1.091 -10.513 1.00 0.00 H new ATOM 0 HB2 PHE A 95 17.066 1.647 -10.423 1.00 0.00 H new ATOM 0 HB3 PHE A 95 18.572 1.248 -9.620 1.00 0.00 H new ATOM 0 HD1 PHE A 95 17.156 0.730 -13.067 1.00 0.00 H new ATOM 0 HD2 PHE A 95 20.435 2.058 -10.693 1.00 0.00 H new ATOM 0 HE1 PHE A 95 18.398 1.301 -15.107 1.00 0.00 H new ATOM 0 HE2 PHE A 95 21.679 2.633 -12.732 1.00 0.00 H new ATOM 0 HZ PHE A 95 20.663 2.255 -14.943 1.00 0.00 H new ATOM 63 N VAL A 96 17.615 -1.432 -8.170 1.00 0.00 N ATOM 64 CA VAL A 96 17.123 -1.743 -6.834 1.00 0.00 C ATOM 65 C VAL A 96 16.910 -0.466 -6.030 1.00 0.00 C ATOM 66 O VAL A 96 17.813 0.362 -5.914 1.00 0.00 O ATOM 67 CB VAL A 96 18.096 -2.665 -6.075 1.00 0.00 C ATOM 68 CG1 VAL A 96 17.556 -2.987 -4.688 1.00 0.00 C ATOM 69 CG2 VAL A 96 18.349 -3.940 -6.865 1.00 0.00 C ATOM 0 H VAL A 96 18.541 -1.805 -8.378 1.00 0.00 H new ATOM 0 HA VAL A 96 16.172 -2.262 -6.953 1.00 0.00 H new ATOM 0 HB VAL A 96 19.045 -2.143 -5.958 1.00 0.00 H new ATOM 0 HG11 VAL A 96 18.257 -3.639 -4.167 1.00 0.00 H new ATOM 0 HG12 VAL A 96 17.431 -2.063 -4.123 1.00 0.00 H new ATOM 0 HG13 VAL A 96 16.593 -3.489 -4.780 1.00 0.00 H new ATOM 0 HG21 VAL A 96 19.039 -4.579 -6.313 1.00 0.00 H new ATOM 0 HG22 VAL A 96 17.407 -4.468 -7.016 1.00 0.00 H new ATOM 0 HG23 VAL A 96 18.783 -3.688 -7.833 1.00 0.00 H new ATOM 79 N ARG A 97 15.708 -0.312 -5.479 1.00 0.00 N ATOM 80 CA ARG A 97 15.374 0.867 -4.689 1.00 0.00 C ATOM 81 C ARG A 97 13.970 0.730 -4.101 1.00 0.00 C ATOM 82 O ARG A 97 13.467 -0.379 -3.925 1.00 0.00 O ATOM 83 CB ARG A 97 15.480 2.123 -5.565 1.00 0.00 C ATOM 84 CG ARG A 97 15.565 3.431 -4.785 1.00 0.00 C ATOM 85 CD ARG A 97 15.947 4.610 -5.673 1.00 0.00 C ATOM 86 NE ARG A 97 14.968 4.865 -6.730 1.00 0.00 N ATOM 87 CZ ARG A 97 14.941 4.217 -7.893 1.00 0.00 C ATOM 88 NH1 ARG A 97 15.870 3.315 -8.180 1.00 0.00 N ATOM 89 NH2 ARG A 97 13.992 4.488 -8.780 1.00 0.00 N ATOM 0 H ARG A 97 14.951 -0.990 -5.566 1.00 0.00 H new ATOM 0 HA ARG A 97 16.079 0.958 -3.862 1.00 0.00 H new ATOM 0 HB2 ARG A 97 16.362 2.035 -6.200 1.00 0.00 H new ATOM 0 HB3 ARG A 97 14.614 2.164 -6.226 1.00 0.00 H new ATOM 0 HG2 ARG A 97 14.604 3.632 -4.311 1.00 0.00 H new ATOM 0 HG3 ARG A 97 16.299 3.328 -3.986 1.00 0.00 H new ATOM 0 HD2 ARG A 97 16.051 5.504 -5.058 1.00 0.00 H new ATOM 0 HD3 ARG A 97 16.920 4.418 -6.124 1.00 0.00 H new ATOM 0 HE ARG A 97 14.263 5.583 -6.566 1.00 0.00 H new ATOM 0 HH11 ARG A 97 16.611 3.114 -7.508 1.00 0.00 H new ATOM 0 HH12 ARG A 97 15.844 2.822 -9.073 1.00 0.00 H new ATOM 0 HH21 ARG A 97 13.284 5.192 -8.571 1.00 0.00 H new ATOM 0 HH22 ARG A 97 13.970 3.992 -9.671 1.00 0.00 H new ATOM 103 N ILE A 98 13.348 1.858 -3.796 1.00 0.00 N ATOM 104 CA ILE A 98 12.012 1.882 -3.225 1.00 0.00 C ATOM 105 C ILE A 98 11.005 1.159 -4.110 1.00 0.00 C ATOM 106 O ILE A 98 11.037 1.277 -5.335 1.00 0.00 O ATOM 107 CB ILE A 98 11.535 3.328 -3.008 1.00 0.00 C ATOM 108 CG1 ILE A 98 11.658 4.119 -4.313 1.00 0.00 C ATOM 109 CG2 ILE A 98 12.329 3.991 -1.893 1.00 0.00 C ATOM 110 CD1 ILE A 98 11.510 5.611 -4.134 1.00 0.00 C ATOM 0 H ILE A 98 13.756 2.782 -3.938 1.00 0.00 H new ATOM 0 HA ILE A 98 12.072 1.366 -2.267 1.00 0.00 H new ATOM 0 HB ILE A 98 10.487 3.314 -2.709 1.00 0.00 H new ATOM 0 HG12 ILE A 98 12.628 3.910 -4.764 1.00 0.00 H new ATOM 0 HG13 ILE A 98 10.899 3.769 -5.013 1.00 0.00 H new ATOM 0 HG21 ILE A 98 11.977 5.013 -1.754 1.00 0.00 H new ATOM 0 HG22 ILE A 98 12.193 3.432 -0.967 1.00 0.00 H new ATOM 0 HG23 ILE A 98 13.386 4.004 -2.157 1.00 0.00 H new ATOM 0 HD11 ILE A 98 11.609 6.105 -5.101 1.00 0.00 H new ATOM 0 HD12 ILE A 98 10.529 5.831 -3.712 1.00 0.00 H new ATOM 0 HD13 ILE A 98 12.285 5.975 -3.460 1.00 0.00 H new ATOM 122 N CYS A 99 10.105 0.424 -3.470 1.00 0.00 N ATOM 123 CA CYS A 99 9.066 -0.313 -4.175 1.00 0.00 C ATOM 124 C CYS A 99 8.288 0.610 -5.106 1.00 0.00 C ATOM 125 O CYS A 99 7.947 1.731 -4.731 1.00 0.00 O ATOM 126 CB CYS A 99 8.123 -0.953 -3.160 1.00 0.00 C ATOM 127 SG CYS A 99 7.686 0.160 -1.788 1.00 0.00 S ATOM 0 H CYS A 99 10.075 0.322 -2.456 1.00 0.00 H new ATOM 0 HA CYS A 99 9.532 -1.091 -4.780 1.00 0.00 H new ATOM 0 HB2 CYS A 99 7.212 -1.268 -3.668 1.00 0.00 H new ATOM 0 HB3 CYS A 99 8.590 -1.852 -2.756 1.00 0.00 H new ATOM 132 N SER A 100 8.022 0.133 -6.321 1.00 0.00 N ATOM 133 CA SER A 100 7.290 0.917 -7.311 1.00 0.00 C ATOM 134 C SER A 100 6.139 1.678 -6.662 1.00 0.00 C ATOM 135 O SER A 100 5.331 1.097 -5.937 1.00 0.00 O ATOM 136 CB SER A 100 6.756 0.010 -8.421 1.00 0.00 C ATOM 137 OG SER A 100 6.049 0.758 -9.396 1.00 0.00 O ATOM 0 H SER A 100 8.303 -0.793 -6.642 1.00 0.00 H new ATOM 0 HA SER A 100 7.981 1.640 -7.745 1.00 0.00 H new ATOM 0 HB2 SER A 100 7.584 -0.518 -8.893 1.00 0.00 H new ATOM 0 HB3 SER A 100 6.099 -0.747 -7.992 1.00 0.00 H new ATOM 0 HG SER A 100 5.720 0.155 -10.095 1.00 0.00 H new ATOM 143 N LYS A 101 6.072 2.980 -6.921 1.00 0.00 N ATOM 144 CA LYS A 101 5.020 3.815 -6.351 1.00 0.00 C ATOM 145 C LYS A 101 3.678 3.575 -7.041 1.00 0.00 C ATOM 146 O LYS A 101 2.792 4.429 -7.006 1.00 0.00 O ATOM 147 CB LYS A 101 5.410 5.292 -6.447 1.00 0.00 C ATOM 148 CG LYS A 101 6.606 5.661 -5.582 1.00 0.00 C ATOM 149 CD LYS A 101 6.889 7.155 -5.621 1.00 0.00 C ATOM 150 CE LYS A 101 7.306 7.614 -7.009 1.00 0.00 C ATOM 151 NZ LYS A 101 7.516 9.087 -7.066 1.00 0.00 N ATOM 0 H LYS A 101 6.731 3.478 -7.519 1.00 0.00 H new ATOM 0 HA LYS A 101 4.907 3.542 -5.302 1.00 0.00 H new ATOM 0 HB2 LYS A 101 5.635 5.534 -7.486 1.00 0.00 H new ATOM 0 HB3 LYS A 101 4.557 5.905 -6.155 1.00 0.00 H new ATOM 0 HG2 LYS A 101 6.420 5.353 -4.553 1.00 0.00 H new ATOM 0 HG3 LYS A 101 7.485 5.115 -5.924 1.00 0.00 H new ATOM 0 HD2 LYS A 101 5.999 7.702 -5.309 1.00 0.00 H new ATOM 0 HD3 LYS A 101 7.677 7.395 -4.907 1.00 0.00 H new ATOM 0 HE2 LYS A 101 8.225 7.105 -7.299 1.00 0.00 H new ATOM 0 HE3 LYS A 101 6.541 7.328 -7.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 7.799 9.360 -8.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 6.632 9.574 -6.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 8.264 9.357 -6.395 1.00 0.00 H new ATOM 165 N SER A 102 3.528 2.403 -7.652 1.00 0.00 N ATOM 166 CA SER A 102 2.287 2.046 -8.331 1.00 0.00 C ATOM 167 C SER A 102 1.164 1.841 -7.319 1.00 0.00 C ATOM 168 O SER A 102 0.029 2.258 -7.539 1.00 0.00 O ATOM 169 CB SER A 102 2.483 0.779 -9.165 1.00 0.00 C ATOM 170 OG SER A 102 2.899 -0.307 -8.357 1.00 0.00 O ATOM 0 H SER A 102 4.251 1.684 -7.691 1.00 0.00 H new ATOM 0 HA SER A 102 2.011 2.864 -8.996 1.00 0.00 H new ATOM 0 HB2 SER A 102 1.551 0.524 -9.669 1.00 0.00 H new ATOM 0 HB3 SER A 102 3.225 0.963 -9.942 1.00 0.00 H new ATOM 0 HG SER A 102 3.015 -1.104 -8.915 1.00 0.00 H new ATOM 176 N TYR A 103 1.497 1.191 -6.209 1.00 0.00 N ATOM 177 CA TYR A 103 0.530 0.917 -5.149 1.00 0.00 C ATOM 178 C TYR A 103 0.088 2.202 -4.450 1.00 0.00 C ATOM 179 O TYR A 103 -0.993 2.255 -3.863 1.00 0.00 O ATOM 180 CB TYR A 103 1.128 -0.045 -4.116 1.00 0.00 C ATOM 181 CG TYR A 103 1.325 -1.464 -4.614 1.00 0.00 C ATOM 182 CD1 TYR A 103 1.762 -1.723 -5.908 1.00 0.00 C ATOM 183 CD2 TYR A 103 1.079 -2.547 -3.778 1.00 0.00 C ATOM 184 CE1 TYR A 103 1.945 -3.019 -6.354 1.00 0.00 C ATOM 185 CE2 TYR A 103 1.260 -3.845 -4.216 1.00 0.00 C ATOM 186 CZ TYR A 103 1.693 -4.076 -5.504 1.00 0.00 C ATOM 187 OH TYR A 103 1.875 -5.367 -5.945 1.00 0.00 O ATOM 0 H TYR A 103 2.436 0.841 -6.018 1.00 0.00 H new ATOM 0 HA TYR A 103 -0.343 0.458 -5.613 1.00 0.00 H new ATOM 0 HB2 TYR A 103 2.090 0.348 -3.788 1.00 0.00 H new ATOM 0 HB3 TYR A 103 0.478 -0.068 -3.241 1.00 0.00 H new ATOM 0 HD1 TYR A 103 1.962 -0.898 -6.576 1.00 0.00 H new ATOM 0 HD2 TYR A 103 0.740 -2.371 -2.768 1.00 0.00 H new ATOM 0 HE1 TYR A 103 2.284 -3.203 -7.363 1.00 0.00 H new ATOM 0 HE2 TYR A 103 1.063 -4.674 -3.553 1.00 0.00 H new ATOM 0 HH TYR A 103 2.421 -5.860 -5.297 1.00 0.00 H new ATOM 197 N LEU A 104 0.941 3.223 -4.491 1.00 0.00 N ATOM 198 CA LEU A 104 0.649 4.498 -3.835 1.00 0.00 C ATOM 199 C LEU A 104 -0.490 5.267 -4.510 1.00 0.00 C ATOM 200 O LEU A 104 -0.584 6.487 -4.370 1.00 0.00 O ATOM 201 CB LEU A 104 1.904 5.372 -3.801 1.00 0.00 C ATOM 202 CG LEU A 104 3.110 4.758 -3.086 1.00 0.00 C ATOM 203 CD1 LEU A 104 4.276 5.735 -3.078 1.00 0.00 C ATOM 204 CD2 LEU A 104 2.746 4.350 -1.666 1.00 0.00 C ATOM 0 H LEU A 104 1.840 3.194 -4.971 1.00 0.00 H new ATOM 0 HA LEU A 104 0.326 4.261 -2.821 1.00 0.00 H new ATOM 0 HB2 LEU A 104 2.191 5.607 -4.826 1.00 0.00 H new ATOM 0 HB3 LEU A 104 1.656 6.316 -3.315 1.00 0.00 H new ATOM 0 HG LEU A 104 3.411 3.863 -3.630 1.00 0.00 H new ATOM 0 HD11 LEU A 104 5.126 5.283 -2.566 1.00 0.00 H new ATOM 0 HD12 LEU A 104 4.556 5.975 -4.104 1.00 0.00 H new ATOM 0 HD13 LEU A 104 3.983 6.647 -2.559 1.00 0.00 H new ATOM 0 HD21 LEU A 104 3.618 3.916 -1.177 1.00 0.00 H new ATOM 0 HD22 LEU A 104 2.416 5.227 -1.109 1.00 0.00 H new ATOM 0 HD23 LEU A 104 1.942 3.614 -1.694 1.00 0.00 H new ATOM 216 N THR A 105 -1.366 4.562 -5.221 1.00 0.00 N ATOM 217 CA THR A 105 -2.496 5.207 -5.880 1.00 0.00 C ATOM 218 C THR A 105 -3.701 4.275 -5.942 1.00 0.00 C ATOM 219 O THR A 105 -3.591 3.127 -6.370 1.00 0.00 O ATOM 220 CB THR A 105 -2.142 5.680 -7.304 1.00 0.00 C ATOM 221 OG1 THR A 105 -3.280 6.309 -7.907 1.00 0.00 O ATOM 222 CG2 THR A 105 -1.684 4.519 -8.172 1.00 0.00 C ATOM 0 H THR A 105 -1.316 3.552 -5.355 1.00 0.00 H new ATOM 0 HA THR A 105 -2.747 6.082 -5.280 1.00 0.00 H new ATOM 0 HB THR A 105 -1.324 6.396 -7.227 1.00 0.00 H new ATOM 0 HG1 THR A 105 -3.048 6.609 -8.811 1.00 0.00 H new ATOM 0 HG21 THR A 105 -1.442 4.884 -9.170 1.00 0.00 H new ATOM 0 HG22 THR A 105 -0.800 4.060 -7.729 1.00 0.00 H new ATOM 0 HG23 THR A 105 -2.481 3.779 -8.240 1.00 0.00 H new ATOM 230 N LEU A 106 -4.853 4.778 -5.510 1.00 0.00 N ATOM 231 CA LEU A 106 -6.078 3.988 -5.517 1.00 0.00 C ATOM 232 C LEU A 106 -7.292 4.861 -5.815 1.00 0.00 C ATOM 233 O LEU A 106 -7.518 5.875 -5.153 1.00 0.00 O ATOM 234 CB LEU A 106 -6.262 3.282 -4.171 1.00 0.00 C ATOM 235 CG LEU A 106 -7.559 2.482 -4.026 1.00 0.00 C ATOM 236 CD1 LEU A 106 -7.694 1.462 -5.147 1.00 0.00 C ATOM 237 CD2 LEU A 106 -7.608 1.796 -2.670 1.00 0.00 C ATOM 0 H LEU A 106 -4.963 5.727 -5.152 1.00 0.00 H new ATOM 0 HA LEU A 106 -5.991 3.240 -6.305 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -5.419 2.609 -4.014 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -6.225 4.030 -3.379 1.00 0.00 H new ATOM 0 HG LEU A 106 -8.398 3.174 -4.096 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -8.623 0.906 -5.023 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -7.705 1.977 -6.108 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -6.851 0.772 -5.115 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -8.536 1.231 -2.581 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -6.760 1.118 -2.574 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -7.563 2.546 -1.881 1.00 0.00 H new ATOM 249 N GLU A 107 -8.077 4.452 -6.806 1.00 0.00 N ATOM 250 CA GLU A 107 -9.278 5.186 -7.183 1.00 0.00 C ATOM 251 C GLU A 107 -10.436 4.807 -6.261 1.00 0.00 C ATOM 252 O GLU A 107 -11.549 4.540 -6.715 1.00 0.00 O ATOM 253 CB GLU A 107 -9.636 4.897 -8.647 1.00 0.00 C ATOM 254 CG GLU A 107 -10.829 5.689 -9.164 1.00 0.00 C ATOM 255 CD GLU A 107 -10.596 7.189 -9.156 1.00 0.00 C ATOM 256 OE1 GLU A 107 -9.483 7.620 -8.788 1.00 0.00 O ATOM 257 OE2 GLU A 107 -11.529 7.933 -9.523 1.00 0.00 O ATOM 0 H GLU A 107 -7.902 3.615 -7.363 1.00 0.00 H new ATOM 0 HA GLU A 107 -9.088 6.254 -7.079 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -8.770 5.116 -9.272 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -9.846 3.833 -8.755 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -11.058 5.368 -10.180 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -11.702 5.460 -8.553 1.00 0.00 H new ATOM 264 N ASN A 108 -10.159 4.780 -4.960 1.00 0.00 N ATOM 265 CA ASN A 108 -11.162 4.428 -3.965 1.00 0.00 C ATOM 266 C ASN A 108 -10.780 4.956 -2.585 1.00 0.00 C ATOM 267 O ASN A 108 -11.649 5.263 -1.770 1.00 0.00 O ATOM 268 CB ASN A 108 -11.349 2.907 -3.903 1.00 0.00 C ATOM 269 CG ASN A 108 -11.962 2.341 -5.169 1.00 0.00 C ATOM 270 OD1 ASN A 108 -11.209 1.502 -5.871 1.00 0.00 O flip ATOM 271 ND2 ASN A 108 -13.100 2.658 -5.516 1.00 0.00 N flip ATOM 0 H ASN A 108 -9.242 4.999 -4.571 1.00 0.00 H new ATOM 0 HA ASN A 108 -12.101 4.892 -4.265 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -10.383 2.433 -3.729 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -11.985 2.657 -3.053 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -13.645 3.306 -4.947 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -13.498 2.272 -6.372 1.00 0.00 H new ATOM 278 N GLY A 109 -9.478 5.057 -2.323 1.00 0.00 N ATOM 279 CA GLY A 109 -9.024 5.546 -1.033 1.00 0.00 C ATOM 280 C GLY A 109 -7.609 6.087 -1.060 1.00 0.00 C ATOM 281 O GLY A 109 -7.146 6.599 -2.079 1.00 0.00 O ATOM 0 H GLY A 109 -8.735 4.811 -2.977 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -9.699 6.331 -0.692 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -9.082 4.737 -0.305 1.00 0.00 H new ATOM 285 N LYS A 110 -6.933 5.982 0.078 1.00 0.00 N ATOM 286 CA LYS A 110 -5.565 6.473 0.216 1.00 0.00 C ATOM 287 C LYS A 110 -4.661 5.408 0.829 1.00 0.00 C ATOM 288 O LYS A 110 -5.117 4.557 1.591 1.00 0.00 O ATOM 289 CB LYS A 110 -5.546 7.719 1.099 1.00 0.00 C ATOM 290 CG LYS A 110 -6.555 8.777 0.684 1.00 0.00 C ATOM 291 CD LYS A 110 -6.606 9.921 1.683 1.00 0.00 C ATOM 292 CE LYS A 110 -6.965 9.434 3.079 1.00 0.00 C ATOM 293 NZ LYS A 110 -8.293 8.763 3.110 1.00 0.00 N ATOM 0 H LYS A 110 -7.312 5.558 0.925 1.00 0.00 H new ATOM 0 HA LYS A 110 -5.192 6.718 -0.778 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -5.743 7.426 2.130 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -4.547 8.154 1.077 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -6.293 9.164 -0.301 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -7.543 8.325 0.597 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -5.639 10.423 1.710 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -7.339 10.658 1.355 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -6.200 8.741 3.429 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -6.969 10.279 3.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -8.560 8.568 4.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -9.005 9.383 2.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -8.243 7.869 2.581 1.00 0.00 H new ATOM 307 N VAL A 111 -3.375 5.469 0.498 1.00 0.00 N ATOM 308 CA VAL A 111 -2.406 4.516 1.025 1.00 0.00 C ATOM 309 C VAL A 111 -1.528 5.168 2.089 1.00 0.00 C ATOM 310 O VAL A 111 -0.921 6.212 1.852 1.00 0.00 O ATOM 311 CB VAL A 111 -1.506 3.953 -0.091 1.00 0.00 C ATOM 312 CG1 VAL A 111 -0.523 2.938 0.472 1.00 0.00 C ATOM 313 CG2 VAL A 111 -2.348 3.331 -1.195 1.00 0.00 C ATOM 0 H VAL A 111 -2.981 6.168 -0.132 1.00 0.00 H new ATOM 0 HA VAL A 111 -2.972 3.698 1.470 1.00 0.00 H new ATOM 0 HB VAL A 111 -0.936 4.777 -0.519 1.00 0.00 H new ATOM 0 HG11 VAL A 111 0.103 2.553 -0.333 1.00 0.00 H new ATOM 0 HG12 VAL A 111 0.105 3.418 1.223 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -1.072 2.115 0.930 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -1.694 2.939 -1.974 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -2.947 2.520 -0.782 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -3.006 4.088 -1.621 1.00 0.00 H new ATOM 323 N PHE A 112 -1.469 4.546 3.262 1.00 0.00 N ATOM 324 CA PHE A 112 -0.668 5.063 4.367 1.00 0.00 C ATOM 325 C PHE A 112 0.807 4.704 4.201 1.00 0.00 C ATOM 326 O PHE A 112 1.349 3.895 4.954 1.00 0.00 O ATOM 327 CB PHE A 112 -1.198 4.540 5.707 1.00 0.00 C ATOM 328 CG PHE A 112 -2.501 5.166 6.132 1.00 0.00 C ATOM 329 CD1 PHE A 112 -3.552 5.307 5.237 1.00 0.00 C ATOM 330 CD2 PHE A 112 -2.672 5.616 7.433 1.00 0.00 C ATOM 331 CE1 PHE A 112 -4.745 5.883 5.631 1.00 0.00 C ATOM 332 CE2 PHE A 112 -3.863 6.192 7.831 1.00 0.00 C ATOM 333 CZ PHE A 112 -4.901 6.325 6.930 1.00 0.00 C ATOM 0 H PHE A 112 -1.967 3.681 3.473 1.00 0.00 H new ATOM 0 HA PHE A 112 -0.751 6.150 4.357 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -1.330 3.460 5.638 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -0.450 4.721 6.479 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -3.436 4.962 4.220 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -1.865 5.515 8.143 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -5.554 5.987 4.924 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -3.982 6.538 8.847 1.00 0.00 H new ATOM 0 HZ PHE A 112 -5.833 6.774 7.241 1.00 0.00 H new ATOM 343 N LEU A 113 1.446 5.318 3.206 1.00 0.00 N ATOM 344 CA LEU A 113 2.860 5.081 2.924 1.00 0.00 C ATOM 345 C LEU A 113 3.727 5.539 4.095 1.00 0.00 C ATOM 346 O LEU A 113 3.416 6.528 4.759 1.00 0.00 O ATOM 347 CB LEU A 113 3.260 5.812 1.632 1.00 0.00 C ATOM 348 CG LEU A 113 4.714 5.635 1.163 1.00 0.00 C ATOM 349 CD1 LEU A 113 5.671 6.457 2.016 1.00 0.00 C ATOM 350 CD2 LEU A 113 5.113 4.167 1.180 1.00 0.00 C ATOM 0 H LEU A 113 1.002 5.988 2.578 1.00 0.00 H new ATOM 0 HA LEU A 113 3.020 4.011 2.788 1.00 0.00 H new ATOM 0 HB2 LEU A 113 2.601 5.475 0.832 1.00 0.00 H new ATOM 0 HB3 LEU A 113 3.074 6.877 1.772 1.00 0.00 H new ATOM 0 HG LEU A 113 4.778 5.998 0.137 1.00 0.00 H new ATOM 0 HD11 LEU A 113 6.691 6.312 1.661 1.00 0.00 H new ATOM 0 HD12 LEU A 113 5.408 7.512 1.943 1.00 0.00 H new ATOM 0 HD13 LEU A 113 5.599 6.136 3.055 1.00 0.00 H new ATOM 0 HD21 LEU A 113 6.145 4.067 0.844 1.00 0.00 H new ATOM 0 HD22 LEU A 113 5.021 3.777 2.194 1.00 0.00 H new ATOM 0 HD23 LEU A 113 4.459 3.604 0.514 1.00 0.00 H new ATOM 362 N THR A 114 4.818 4.815 4.343 1.00 0.00 N ATOM 363 CA THR A 114 5.724 5.154 5.435 1.00 0.00 C ATOM 364 C THR A 114 7.162 4.760 5.108 1.00 0.00 C ATOM 365 O THR A 114 7.645 3.708 5.533 1.00 0.00 O ATOM 366 CB THR A 114 5.300 4.483 6.756 1.00 0.00 C ATOM 367 OG1 THR A 114 3.946 4.831 7.068 1.00 0.00 O ATOM 368 CG2 THR A 114 6.210 4.911 7.899 1.00 0.00 C ATOM 0 H THR A 114 5.093 3.994 3.804 1.00 0.00 H new ATOM 0 HA THR A 114 5.670 6.236 5.558 1.00 0.00 H new ATOM 0 HB THR A 114 5.381 3.403 6.631 1.00 0.00 H new ATOM 0 HG1 THR A 114 3.683 4.400 7.908 1.00 0.00 H new ATOM 0 HG21 THR A 114 5.890 4.424 8.820 1.00 0.00 H new ATOM 0 HG22 THR A 114 7.237 4.623 7.674 1.00 0.00 H new ATOM 0 HG23 THR A 114 6.155 5.993 8.022 1.00 0.00 H new ATOM 376 N GLY A 115 7.832 5.621 4.349 1.00 0.00 N ATOM 377 CA GLY A 115 9.204 5.384 3.961 1.00 0.00 C ATOM 378 C GLY A 115 9.710 6.476 3.041 1.00 0.00 C ATOM 379 O GLY A 115 10.006 7.585 3.484 1.00 0.00 O ATOM 0 H GLY A 115 7.438 6.492 3.992 1.00 0.00 H new ATOM 0 HA2 GLY A 115 9.833 5.334 4.850 1.00 0.00 H new ATOM 0 HA3 GLY A 115 9.282 4.419 3.461 1.00 0.00 H new ATOM 383 N GLY A 116 9.775 6.160 1.756 1.00 0.00 N ATOM 384 CA GLY A 116 10.216 7.122 0.757 1.00 0.00 C ATOM 385 C GLY A 116 11.624 7.648 0.982 1.00 0.00 C ATOM 386 O GLY A 116 12.047 7.861 2.117 1.00 0.00 O ATOM 0 H GLY A 116 9.528 5.244 1.381 1.00 0.00 H new ATOM 0 HA2 GLY A 116 10.167 6.656 -0.227 1.00 0.00 H new ATOM 0 HA3 GLY A 116 9.523 7.963 0.747 1.00 0.00 H new ATOM 390 N ASP A 117 12.336 7.878 -0.122 1.00 0.00 N ATOM 391 CA ASP A 117 13.699 8.410 -0.088 1.00 0.00 C ATOM 392 C ASP A 117 14.717 7.387 0.418 1.00 0.00 C ATOM 393 O ASP A 117 15.529 7.689 1.292 1.00 0.00 O ATOM 394 CB ASP A 117 13.756 9.675 0.772 1.00 0.00 C ATOM 395 CG ASP A 117 12.868 10.780 0.233 1.00 0.00 C ATOM 396 OD1 ASP A 117 13.089 11.212 -0.917 1.00 0.00 O ATOM 397 OD2 ASP A 117 11.950 11.212 0.963 1.00 0.00 O ATOM 0 H ASP A 117 11.985 7.701 -1.063 1.00 0.00 H new ATOM 0 HA ASP A 117 13.969 8.653 -1.116 1.00 0.00 H new ATOM 0 HB2 ASP A 117 13.453 9.433 1.791 1.00 0.00 H new ATOM 0 HB3 ASP A 117 14.785 10.031 0.822 1.00 0.00 H new ATOM 402 N LEU A 118 14.684 6.185 -0.152 1.00 0.00 N ATOM 403 CA LEU A 118 15.621 5.127 0.224 1.00 0.00 C ATOM 404 C LEU A 118 16.045 4.318 -0.996 1.00 0.00 C ATOM 405 O LEU A 118 15.222 4.004 -1.855 1.00 0.00 O ATOM 406 CB LEU A 118 15.012 4.182 1.271 1.00 0.00 C ATOM 407 CG LEU A 118 14.974 4.705 2.714 1.00 0.00 C ATOM 408 CD1 LEU A 118 16.332 5.248 3.127 1.00 0.00 C ATOM 409 CD2 LEU A 118 13.900 5.764 2.884 1.00 0.00 C ATOM 0 H LEU A 118 14.018 5.918 -0.877 1.00 0.00 H new ATOM 0 HA LEU A 118 16.495 5.614 0.657 1.00 0.00 H new ATOM 0 HB2 LEU A 118 13.993 3.943 0.966 1.00 0.00 H new ATOM 0 HB3 LEU A 118 15.575 3.249 1.259 1.00 0.00 H new ATOM 0 HG LEU A 118 14.727 3.867 3.366 1.00 0.00 H new ATOM 0 HD11 LEU A 118 16.281 5.613 4.153 1.00 0.00 H new ATOM 0 HD12 LEU A 118 17.077 4.455 3.061 1.00 0.00 H new ATOM 0 HD13 LEU A 118 16.614 6.066 2.464 1.00 0.00 H new ATOM 0 HD21 LEU A 118 13.896 6.116 3.916 1.00 0.00 H new ATOM 0 HD22 LEU A 118 14.105 6.600 2.216 1.00 0.00 H new ATOM 0 HD23 LEU A 118 12.927 5.337 2.643 1.00 0.00 H new ATOM 421 N PRO A 119 17.340 3.967 -1.093 1.00 0.00 N ATOM 422 CA PRO A 119 17.859 3.188 -2.219 1.00 0.00 C ATOM 423 C PRO A 119 17.458 1.721 -2.137 1.00 0.00 C ATOM 424 O PRO A 119 18.206 0.836 -2.554 1.00 0.00 O ATOM 425 CB PRO A 119 19.373 3.344 -2.088 1.00 0.00 C ATOM 426 CG PRO A 119 19.602 3.554 -0.630 1.00 0.00 C ATOM 427 CD PRO A 119 18.397 4.299 -0.117 1.00 0.00 C ATOM 0 HA PRO A 119 17.466 3.534 -3.175 1.00 0.00 H new ATOM 0 HB2 PRO A 119 19.896 2.458 -2.448 1.00 0.00 H new ATOM 0 HB3 PRO A 119 19.737 4.189 -2.673 1.00 0.00 H new ATOM 0 HG2 PRO A 119 19.719 2.601 -0.113 1.00 0.00 H new ATOM 0 HG3 PRO A 119 20.515 4.125 -0.458 1.00 0.00 H new ATOM 0 HD2 PRO A 119 18.127 3.980 0.890 1.00 0.00 H new ATOM 0 HD3 PRO A 119 18.579 5.373 -0.073 1.00 0.00 H new ATOM 435 N ALA A 120 16.263 1.484 -1.606 1.00 0.00 N ATOM 436 CA ALA A 120 15.719 0.139 -1.462 1.00 0.00 C ATOM 437 C ALA A 120 14.429 0.163 -0.653 1.00 0.00 C ATOM 438 O ALA A 120 13.440 -0.472 -1.023 1.00 0.00 O ATOM 439 CB ALA A 120 16.731 -0.793 -0.810 1.00 0.00 C ATOM 0 H ALA A 120 15.645 2.219 -1.263 1.00 0.00 H new ATOM 0 HA ALA A 120 15.498 -0.239 -2.460 1.00 0.00 H new ATOM 0 HB1 ALA A 120 16.299 -1.789 -0.715 1.00 0.00 H new ATOM 0 HB2 ALA A 120 17.629 -0.844 -1.426 1.00 0.00 H new ATOM 0 HB3 ALA A 120 16.991 -0.414 0.178 1.00 0.00 H new ATOM 445 N LEU A 121 14.445 0.910 0.447 1.00 0.00 N ATOM 446 CA LEU A 121 13.279 1.036 1.311 1.00 0.00 C ATOM 447 C LEU A 121 12.849 -0.325 1.856 1.00 0.00 C ATOM 448 O LEU A 121 11.661 -0.649 1.882 1.00 0.00 O ATOM 449 CB LEU A 121 12.132 1.688 0.536 1.00 0.00 C ATOM 450 CG LEU A 121 11.016 2.272 1.398 1.00 0.00 C ATOM 451 CD1 LEU A 121 11.581 3.291 2.375 1.00 0.00 C ATOM 452 CD2 LEU A 121 9.944 2.906 0.524 1.00 0.00 C ATOM 0 H LEU A 121 15.258 1.439 0.761 1.00 0.00 H new ATOM 0 HA LEU A 121 13.543 1.666 2.160 1.00 0.00 H new ATOM 0 HB2 LEU A 121 12.541 2.483 -0.088 1.00 0.00 H new ATOM 0 HB3 LEU A 121 11.700 0.946 -0.136 1.00 0.00 H new ATOM 0 HG LEU A 121 10.559 1.463 1.968 1.00 0.00 H new ATOM 0 HD11 LEU A 121 10.773 3.699 2.983 1.00 0.00 H new ATOM 0 HD12 LEU A 121 12.313 2.808 3.022 1.00 0.00 H new ATOM 0 HD13 LEU A 121 12.062 4.098 1.822 1.00 0.00 H new ATOM 0 HD21 LEU A 121 9.156 3.317 1.155 1.00 0.00 H new ATOM 0 HD22 LEU A 121 10.386 3.705 -0.072 1.00 0.00 H new ATOM 0 HD23 LEU A 121 9.521 2.151 -0.138 1.00 0.00 H new ATOM 464 N ASP A 122 13.826 -1.115 2.290 1.00 0.00 N ATOM 465 CA ASP A 122 13.561 -2.442 2.839 1.00 0.00 C ATOM 466 C ASP A 122 13.097 -2.346 4.293 1.00 0.00 C ATOM 467 O ASP A 122 13.722 -2.909 5.193 1.00 0.00 O ATOM 468 CB ASP A 122 14.816 -3.316 2.742 1.00 0.00 C ATOM 469 CG ASP A 122 14.570 -4.747 3.179 1.00 0.00 C ATOM 470 OD1 ASP A 122 13.419 -5.073 3.539 1.00 0.00 O ATOM 471 OD2 ASP A 122 15.531 -5.546 3.159 1.00 0.00 O ATOM 0 H ASP A 122 14.813 -0.858 2.272 1.00 0.00 H new ATOM 0 HA ASP A 122 12.764 -2.901 2.254 1.00 0.00 H new ATOM 0 HB2 ASP A 122 15.178 -3.312 1.714 1.00 0.00 H new ATOM 0 HB3 ASP A 122 15.604 -2.883 3.359 1.00 0.00 H new ATOM 476 N GLY A 123 12.002 -1.625 4.518 1.00 0.00 N ATOM 477 CA GLY A 123 11.483 -1.465 5.862 1.00 0.00 C ATOM 478 C GLY A 123 10.159 -0.726 5.895 1.00 0.00 C ATOM 479 O GLY A 123 9.359 -0.915 6.811 1.00 0.00 O ATOM 0 H GLY A 123 11.466 -1.149 3.792 1.00 0.00 H new ATOM 0 HA2 GLY A 123 11.357 -2.447 6.318 1.00 0.00 H new ATOM 0 HA3 GLY A 123 12.211 -0.924 6.466 1.00 0.00 H new ATOM 483 N ALA A 124 9.934 0.123 4.895 1.00 0.00 N ATOM 484 CA ALA A 124 8.704 0.905 4.807 1.00 0.00 C ATOM 485 C ALA A 124 7.469 0.036 5.002 1.00 0.00 C ATOM 486 O ALA A 124 7.487 -1.164 4.728 1.00 0.00 O ATOM 487 CB ALA A 124 8.626 1.623 3.470 1.00 0.00 C ATOM 0 H ALA A 124 10.590 0.287 4.132 1.00 0.00 H new ATOM 0 HA ALA A 124 8.727 1.641 5.610 1.00 0.00 H new ATOM 0 HB1 ALA A 124 7.703 2.201 3.421 1.00 0.00 H new ATOM 0 HB2 ALA A 124 9.480 2.293 3.366 1.00 0.00 H new ATOM 0 HB3 ALA A 124 8.639 0.891 2.663 1.00 0.00 H new ATOM 493 N ARG A 125 6.396 0.658 5.477 1.00 0.00 N ATOM 494 CA ARG A 125 5.140 -0.045 5.714 1.00 0.00 C ATOM 495 C ARG A 125 3.960 0.817 5.282 1.00 0.00 C ATOM 496 O ARG A 125 3.930 2.019 5.544 1.00 0.00 O ATOM 497 CB ARG A 125 5.012 -0.414 7.192 1.00 0.00 C ATOM 498 CG ARG A 125 6.101 -1.356 7.677 1.00 0.00 C ATOM 499 CD ARG A 125 6.051 -1.543 9.185 1.00 0.00 C ATOM 500 NE ARG A 125 7.082 -2.464 9.655 1.00 0.00 N ATOM 501 CZ ARG A 125 7.311 -2.722 10.939 1.00 0.00 C ATOM 502 NH1 ARG A 125 6.599 -2.113 11.878 1.00 0.00 N ATOM 503 NH2 ARG A 125 8.257 -3.585 11.285 1.00 0.00 N ATOM 0 H ARG A 125 6.371 1.652 5.706 1.00 0.00 H new ATOM 0 HA ARG A 125 5.137 -0.961 5.123 1.00 0.00 H new ATOM 0 HB2 ARG A 125 5.038 0.497 7.790 1.00 0.00 H new ATOM 0 HB3 ARG A 125 4.040 -0.878 7.360 1.00 0.00 H new ATOM 0 HG2 ARG A 125 5.991 -2.323 7.186 1.00 0.00 H new ATOM 0 HG3 ARG A 125 7.077 -0.963 7.391 1.00 0.00 H new ATOM 0 HD2 ARG A 125 6.177 -0.577 9.675 1.00 0.00 H new ATOM 0 HD3 ARG A 125 5.069 -1.920 9.471 1.00 0.00 H new ATOM 0 HE ARG A 125 7.659 -2.936 8.959 1.00 0.00 H new ATOM 0 HH11 ARG A 125 5.874 -1.445 11.616 1.00 0.00 H new ATOM 0 HH12 ARG A 125 6.776 -2.313 12.862 1.00 0.00 H new ATOM 0 HH21 ARG A 125 8.810 -4.051 10.566 1.00 0.00 H new ATOM 0 HH22 ARG A 125 8.432 -3.782 12.270 1.00 0.00 H new ATOM 517 N VAL A 126 2.995 0.202 4.606 1.00 0.00 N ATOM 518 CA VAL A 126 1.825 0.927 4.128 1.00 0.00 C ATOM 519 C VAL A 126 0.526 0.286 4.600 1.00 0.00 C ATOM 520 O VAL A 126 0.386 -0.939 4.605 1.00 0.00 O ATOM 521 CB VAL A 126 1.805 1.007 2.592 1.00 0.00 C ATOM 522 CG1 VAL A 126 3.057 1.697 2.079 1.00 0.00 C ATOM 523 CG2 VAL A 126 1.664 -0.381 1.986 1.00 0.00 C ATOM 0 H VAL A 126 3.000 -0.792 4.378 1.00 0.00 H new ATOM 0 HA VAL A 126 1.898 1.931 4.546 1.00 0.00 H new ATOM 0 HB VAL A 126 0.942 1.599 2.288 1.00 0.00 H new ATOM 0 HG11 VAL A 126 3.026 1.745 0.990 1.00 0.00 H new ATOM 0 HG12 VAL A 126 3.108 2.707 2.485 1.00 0.00 H new ATOM 0 HG13 VAL A 126 3.937 1.135 2.393 1.00 0.00 H new ATOM 0 HG21 VAL A 126 1.652 -0.304 0.899 1.00 0.00 H new ATOM 0 HG22 VAL A 126 2.505 -1.001 2.296 1.00 0.00 H new ATOM 0 HG23 VAL A 126 0.734 -0.835 2.328 1.00 0.00 H new ATOM 533 N GLU A 127 -0.424 1.130 4.986 1.00 0.00 N ATOM 534 CA GLU A 127 -1.724 0.662 5.450 1.00 0.00 C ATOM 535 C GLU A 127 -2.837 1.228 4.573 1.00 0.00 C ATOM 536 O GLU A 127 -3.266 2.367 4.756 1.00 0.00 O ATOM 537 CB GLU A 127 -1.946 1.071 6.908 1.00 0.00 C ATOM 538 CG GLU A 127 -3.287 0.628 7.469 1.00 0.00 C ATOM 539 CD GLU A 127 -3.482 1.045 8.915 1.00 0.00 C ATOM 540 OE1 GLU A 127 -2.566 1.677 9.482 1.00 0.00 O ATOM 541 OE2 GLU A 127 -4.553 0.740 9.481 1.00 0.00 O ATOM 0 H GLU A 127 -0.317 2.144 4.987 1.00 0.00 H new ATOM 0 HA GLU A 127 -1.744 -0.426 5.382 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -1.149 0.649 7.520 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -1.869 2.155 6.988 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -4.088 1.050 6.862 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -3.368 -0.456 7.394 1.00 0.00 H new ATOM 548 N PHE A 128 -3.299 0.427 3.618 1.00 0.00 N ATOM 549 CA PHE A 128 -4.360 0.852 2.711 1.00 0.00 C ATOM 550 C PHE A 128 -5.667 1.091 3.459 1.00 0.00 C ATOM 551 O PHE A 128 -5.961 0.423 4.449 1.00 0.00 O ATOM 552 CB PHE A 128 -4.580 -0.185 1.606 1.00 0.00 C ATOM 553 CG PHE A 128 -3.471 -0.250 0.592 1.00 0.00 C ATOM 554 CD1 PHE A 128 -2.165 -0.501 0.980 1.00 0.00 C ATOM 555 CD2 PHE A 128 -3.740 -0.053 -0.753 1.00 0.00 C ATOM 556 CE1 PHE A 128 -1.149 -0.558 0.045 1.00 0.00 C ATOM 557 CE2 PHE A 128 -2.728 -0.108 -1.693 1.00 0.00 C ATOM 558 CZ PHE A 128 -1.431 -0.360 -1.293 1.00 0.00 C ATOM 0 H PHE A 128 -2.956 -0.519 3.452 1.00 0.00 H new ATOM 0 HA PHE A 128 -4.043 1.792 2.259 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -4.697 -1.167 2.063 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -5.514 0.041 1.092 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -1.938 -0.654 2.025 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -4.753 0.146 -1.071 1.00 0.00 H new ATOM 0 HE1 PHE A 128 -0.135 -0.757 0.360 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -2.952 0.046 -2.738 1.00 0.00 H new ATOM 0 HZ PHE A 128 -0.638 -0.402 -2.025 1.00 0.00 H new ATOM 568 N ARG A 129 -6.446 2.050 2.970 1.00 0.00 N ATOM 569 CA ARG A 129 -7.728 2.386 3.578 1.00 0.00 C ATOM 570 C ARG A 129 -8.610 3.129 2.582 1.00 0.00 C ATOM 571 O ARG A 129 -8.285 4.237 2.154 1.00 0.00 O ATOM 572 CB ARG A 129 -7.515 3.243 4.827 1.00 0.00 C ATOM 573 CG ARG A 129 -8.802 3.621 5.534 1.00 0.00 C ATOM 574 CD ARG A 129 -8.537 4.511 6.737 1.00 0.00 C ATOM 575 NE ARG A 129 -7.649 3.872 7.705 1.00 0.00 N ATOM 576 CZ ARG A 129 -7.247 4.451 8.832 1.00 0.00 C ATOM 577 NH1 ARG A 129 -7.646 5.680 9.130 1.00 0.00 N ATOM 578 NH2 ARG A 129 -6.444 3.801 9.662 1.00 0.00 N ATOM 0 H ARG A 129 -6.210 2.610 2.151 1.00 0.00 H new ATOM 0 HA ARG A 129 -8.226 1.460 3.866 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -6.874 2.702 5.523 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -6.984 4.153 4.546 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -9.463 4.137 4.837 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -9.320 2.718 5.856 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -8.094 5.449 6.403 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -9.482 4.758 7.220 1.00 0.00 H new ATOM 0 HE ARG A 129 -7.319 2.928 7.505 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -8.263 6.184 8.494 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -7.336 6.121 9.996 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -6.134 2.856 9.436 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -6.136 4.246 10.527 1.00 0.00 H new ATOM 592 N CYS A 130 -9.726 2.511 2.214 1.00 0.00 N ATOM 593 CA CYS A 130 -10.659 3.108 1.267 1.00 0.00 C ATOM 594 C CYS A 130 -11.699 3.969 1.976 1.00 0.00 C ATOM 595 O CYS A 130 -12.073 3.698 3.117 1.00 0.00 O ATOM 596 CB CYS A 130 -11.347 2.021 0.437 1.00 0.00 C ATOM 597 SG CYS A 130 -10.234 1.156 -0.719 1.00 0.00 S ATOM 0 H CYS A 130 -10.007 1.593 2.559 1.00 0.00 H new ATOM 0 HA CYS A 130 -10.087 3.754 0.601 1.00 0.00 H new ATOM 0 HB2 CYS A 130 -11.793 1.290 1.112 1.00 0.00 H new ATOM 0 HB3 CYS A 130 -12.163 2.472 -0.128 1.00 0.00 H new ATOM 602 N ASP A 131 -12.159 5.010 1.286 1.00 0.00 N ATOM 603 CA ASP A 131 -13.158 5.922 1.833 1.00 0.00 C ATOM 604 C ASP A 131 -14.379 5.158 2.343 1.00 0.00 C ATOM 605 O ASP A 131 -14.624 4.024 1.932 1.00 0.00 O ATOM 606 CB ASP A 131 -13.589 6.932 0.768 1.00 0.00 C ATOM 607 CG ASP A 131 -12.466 7.871 0.369 1.00 0.00 C ATOM 608 OD1 ASP A 131 -11.423 7.380 -0.109 1.00 0.00 O ATOM 609 OD2 ASP A 131 -12.633 9.098 0.536 1.00 0.00 O ATOM 0 H ASP A 131 -11.853 5.243 0.341 1.00 0.00 H new ATOM 0 HA ASP A 131 -12.707 6.451 2.672 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -13.941 6.397 -0.114 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -14.430 7.515 1.144 1.00 0.00 H new ATOM 614 N PRO A 132 -15.161 5.775 3.253 1.00 0.00 N ATOM 615 CA PRO A 132 -16.361 5.155 3.823 1.00 0.00 C ATOM 616 C PRO A 132 -17.205 4.439 2.773 1.00 0.00 C ATOM 617 O PRO A 132 -17.075 4.705 1.577 1.00 0.00 O ATOM 618 CB PRO A 132 -17.121 6.347 4.400 1.00 0.00 C ATOM 619 CG PRO A 132 -16.056 7.313 4.790 1.00 0.00 C ATOM 620 CD PRO A 132 -14.935 7.130 3.799 1.00 0.00 C ATOM 0 HA PRO A 132 -16.117 4.386 4.556 1.00 0.00 H new ATOM 0 HB2 PRO A 132 -17.799 6.779 3.664 1.00 0.00 H new ATOM 0 HB3 PRO A 132 -17.726 6.055 5.258 1.00 0.00 H new ATOM 0 HG2 PRO A 132 -16.432 8.336 4.767 1.00 0.00 H new ATOM 0 HG3 PRO A 132 -15.711 7.122 5.806 1.00 0.00 H new ATOM 0 HD2 PRO A 132 -14.967 7.887 3.015 1.00 0.00 H new ATOM 0 HD3 PRO A 132 -13.960 7.210 4.280 1.00 0.00 H new ATOM 628 N ASP A 133 -18.058 3.522 3.236 1.00 0.00 N ATOM 629 CA ASP A 133 -18.927 2.741 2.353 1.00 0.00 C ATOM 630 C ASP A 133 -18.162 1.575 1.733 1.00 0.00 C ATOM 631 O ASP A 133 -18.733 0.516 1.474 1.00 0.00 O ATOM 632 CB ASP A 133 -19.534 3.620 1.255 1.00 0.00 C ATOM 633 CG ASP A 133 -20.304 4.799 1.815 1.00 0.00 C ATOM 634 OD1 ASP A 133 -21.274 4.571 2.569 1.00 0.00 O ATOM 635 OD2 ASP A 133 -19.936 5.951 1.502 1.00 0.00 O ATOM 0 H ASP A 133 -18.165 3.301 4.226 1.00 0.00 H new ATOM 0 HA ASP A 133 -19.740 2.341 2.959 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -18.739 3.985 0.605 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -20.199 3.017 0.637 1.00 0.00 H new ATOM 640 N PHE A 134 -16.868 1.774 1.505 1.00 0.00 N ATOM 641 CA PHE A 134 -16.023 0.735 0.923 1.00 0.00 C ATOM 642 C PHE A 134 -15.114 0.130 1.988 1.00 0.00 C ATOM 643 O PHE A 134 -14.644 0.831 2.884 1.00 0.00 O ATOM 644 CB PHE A 134 -15.172 1.302 -0.218 1.00 0.00 C ATOM 645 CG PHE A 134 -15.968 1.845 -1.373 1.00 0.00 C ATOM 646 CD1 PHE A 134 -16.854 2.897 -1.195 1.00 0.00 C ATOM 647 CD2 PHE A 134 -15.821 1.306 -2.641 1.00 0.00 C ATOM 648 CE1 PHE A 134 -17.580 3.397 -2.261 1.00 0.00 C ATOM 649 CE2 PHE A 134 -16.543 1.802 -3.710 1.00 0.00 C ATOM 650 CZ PHE A 134 -17.424 2.848 -3.519 1.00 0.00 C ATOM 0 H PHE A 134 -16.381 2.645 1.714 1.00 0.00 H new ATOM 0 HA PHE A 134 -16.673 -0.043 0.523 1.00 0.00 H new ATOM 0 HB2 PHE A 134 -14.539 2.096 0.177 1.00 0.00 H new ATOM 0 HB3 PHE A 134 -14.509 0.519 -0.585 1.00 0.00 H new ATOM 0 HD1 PHE A 134 -16.978 3.330 -0.214 1.00 0.00 H new ATOM 0 HD2 PHE A 134 -15.133 0.488 -2.796 1.00 0.00 H new ATOM 0 HE1 PHE A 134 -18.268 4.216 -2.110 1.00 0.00 H new ATOM 0 HE2 PHE A 134 -16.418 1.372 -4.693 1.00 0.00 H new ATOM 0 HZ PHE A 134 -17.991 3.237 -4.352 1.00 0.00 H new ATOM 660 N HIS A 135 -14.869 -1.173 1.888 1.00 0.00 N ATOM 661 CA HIS A 135 -14.016 -1.863 2.849 1.00 0.00 C ATOM 662 C HIS A 135 -13.018 -2.773 2.140 1.00 0.00 C ATOM 663 O HIS A 135 -13.385 -3.552 1.260 1.00 0.00 O ATOM 664 CB HIS A 135 -14.867 -2.678 3.825 1.00 0.00 C ATOM 665 CG HIS A 135 -15.653 -3.771 3.171 1.00 0.00 C ATOM 666 ND1 HIS A 135 -16.564 -3.544 2.161 1.00 0.00 N ATOM 667 CD2 HIS A 135 -15.658 -5.109 3.385 1.00 0.00 C ATOM 668 CE1 HIS A 135 -17.096 -4.693 1.782 1.00 0.00 C ATOM 669 NE2 HIS A 135 -16.561 -5.658 2.509 1.00 0.00 N ATOM 0 H HIS A 135 -15.248 -1.771 1.153 1.00 0.00 H new ATOM 0 HA HIS A 135 -13.458 -1.111 3.406 1.00 0.00 H new ATOM 0 HB2 HIS A 135 -14.217 -3.114 4.583 1.00 0.00 H new ATOM 0 HB3 HIS A 135 -15.554 -2.008 4.341 1.00 0.00 H new ATOM 0 HD2 HIS A 135 -15.062 -5.644 4.110 1.00 0.00 H new ATOM 0 HE1 HIS A 135 -17.841 -4.821 1.010 1.00 0.00 H new ATOM 0 HE2 HIS A 135 -16.783 -6.651 2.432 1.00 0.00 H new ATOM 678 N LEU A 136 -11.750 -2.665 2.528 1.00 0.00 N ATOM 679 CA LEU A 136 -10.695 -3.474 1.931 1.00 0.00 C ATOM 680 C LEU A 136 -10.711 -4.890 2.505 1.00 0.00 C ATOM 681 O LEU A 136 -10.819 -5.076 3.716 1.00 0.00 O ATOM 682 CB LEU A 136 -9.334 -2.818 2.166 1.00 0.00 C ATOM 683 CG LEU A 136 -8.167 -3.450 1.409 1.00 0.00 C ATOM 684 CD1 LEU A 136 -8.465 -3.508 -0.082 1.00 0.00 C ATOM 685 CD2 LEU A 136 -6.887 -2.672 1.666 1.00 0.00 C ATOM 0 H LEU A 136 -11.429 -2.024 3.254 1.00 0.00 H new ATOM 0 HA LEU A 136 -10.873 -3.540 0.858 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -9.402 -1.767 1.885 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -9.113 -2.849 3.233 1.00 0.00 H new ATOM 0 HG LEU A 136 -8.032 -4.469 1.771 1.00 0.00 H new ATOM 0 HD11 LEU A 136 -7.622 -3.961 -0.604 1.00 0.00 H new ATOM 0 HD12 LEU A 136 -9.361 -4.106 -0.251 1.00 0.00 H new ATOM 0 HD13 LEU A 136 -8.626 -2.499 -0.460 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -6.064 -3.134 1.120 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -7.013 -1.643 1.330 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -6.664 -2.680 2.733 1.00 0.00 H new ATOM 697 N VAL A 137 -10.617 -5.885 1.626 1.00 0.00 N ATOM 698 CA VAL A 137 -10.638 -7.282 2.048 1.00 0.00 C ATOM 699 C VAL A 137 -9.508 -8.083 1.403 1.00 0.00 C ATOM 700 O VAL A 137 -9.751 -8.918 0.529 1.00 0.00 O ATOM 701 CB VAL A 137 -11.984 -7.947 1.699 1.00 0.00 C ATOM 702 CG1 VAL A 137 -12.046 -9.364 2.252 1.00 0.00 C ATOM 703 CG2 VAL A 137 -13.143 -7.114 2.219 1.00 0.00 C ATOM 0 H VAL A 137 -10.526 -5.750 0.619 1.00 0.00 H new ATOM 0 HA VAL A 137 -10.500 -7.284 3.129 1.00 0.00 H new ATOM 0 HB VAL A 137 -12.065 -8.004 0.614 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -13.005 -9.814 1.994 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -11.239 -9.958 1.823 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -11.939 -9.336 3.336 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -14.084 -7.600 1.963 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -13.066 -7.020 3.302 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -13.111 -6.123 1.766 1.00 0.00 H new ATOM 713 N GLY A 138 -8.275 -7.834 1.831 1.00 0.00 N ATOM 714 CA GLY A 138 -7.153 -8.558 1.269 1.00 0.00 C ATOM 715 C GLY A 138 -5.827 -8.155 1.876 1.00 0.00 C ATOM 716 O GLY A 138 -5.698 -8.056 3.096 1.00 0.00 O ATOM 0 H GLY A 138 -8.035 -7.151 2.549 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -7.305 -9.627 1.419 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -7.120 -8.389 0.193 1.00 0.00 H new ATOM 720 N SER A 139 -4.839 -7.929 1.017 1.00 0.00 N ATOM 721 CA SER A 139 -3.510 -7.537 1.452 1.00 0.00 C ATOM 722 C SER A 139 -3.483 -6.070 1.869 1.00 0.00 C ATOM 723 O SER A 139 -2.682 -5.285 1.359 1.00 0.00 O ATOM 724 CB SER A 139 -2.511 -7.782 0.325 1.00 0.00 C ATOM 725 OG SER A 139 -2.469 -9.153 -0.032 1.00 0.00 O ATOM 0 H SER A 139 -4.939 -8.013 0.005 1.00 0.00 H new ATOM 0 HA SER A 139 -3.235 -8.139 2.318 1.00 0.00 H new ATOM 0 HB2 SER A 139 -2.786 -7.185 -0.545 1.00 0.00 H new ATOM 0 HB3 SER A 139 -1.519 -7.454 0.636 1.00 0.00 H new ATOM 0 HG SER A 139 -1.948 -9.261 -0.855 1.00 0.00 H new ATOM 731 N SER A 140 -4.365 -5.709 2.794 1.00 0.00 N ATOM 732 CA SER A 140 -4.455 -4.346 3.282 1.00 0.00 C ATOM 733 C SER A 140 -3.081 -3.820 3.688 1.00 0.00 C ATOM 734 O SER A 140 -2.737 -2.673 3.401 1.00 0.00 O ATOM 735 CB SER A 140 -5.421 -4.294 4.463 1.00 0.00 C ATOM 736 OG SER A 140 -4.910 -5.011 5.574 1.00 0.00 O ATOM 0 H SER A 140 -5.032 -6.351 3.222 1.00 0.00 H new ATOM 0 HA SER A 140 -4.830 -3.708 2.482 1.00 0.00 H new ATOM 0 HB2 SER A 140 -5.598 -3.256 4.746 1.00 0.00 H new ATOM 0 HB3 SER A 140 -6.383 -4.712 4.168 1.00 0.00 H new ATOM 0 HG SER A 140 -5.547 -4.960 6.317 1.00 0.00 H new ATOM 742 N ARG A 141 -2.296 -4.669 4.344 1.00 0.00 N ATOM 743 CA ARG A 141 -0.954 -4.292 4.772 1.00 0.00 C ATOM 744 C ARG A 141 0.090 -4.831 3.795 1.00 0.00 C ATOM 745 O ARG A 141 0.070 -6.011 3.446 1.00 0.00 O ATOM 746 CB ARG A 141 -0.677 -4.817 6.185 1.00 0.00 C ATOM 747 CG ARG A 141 -0.800 -6.328 6.312 1.00 0.00 C ATOM 748 CD ARG A 141 -0.465 -6.804 7.716 1.00 0.00 C ATOM 749 NE ARG A 141 -1.383 -6.267 8.717 1.00 0.00 N ATOM 750 CZ ARG A 141 -1.314 -6.558 10.014 1.00 0.00 C ATOM 751 NH1 ARG A 141 -0.371 -7.374 10.464 1.00 0.00 N ATOM 752 NH2 ARG A 141 -2.188 -6.033 10.862 1.00 0.00 N ATOM 0 H ARG A 141 -2.566 -5.621 4.590 1.00 0.00 H new ATOM 0 HA ARG A 141 -0.890 -3.204 4.784 1.00 0.00 H new ATOM 0 HB2 ARG A 141 0.327 -4.517 6.484 1.00 0.00 H new ATOM 0 HB3 ARG A 141 -1.371 -4.345 6.881 1.00 0.00 H new ATOM 0 HG2 ARG A 141 -1.815 -6.633 6.057 1.00 0.00 H new ATOM 0 HG3 ARG A 141 -0.133 -6.809 5.596 1.00 0.00 H new ATOM 0 HD2 ARG A 141 -0.496 -7.893 7.745 1.00 0.00 H new ATOM 0 HD3 ARG A 141 0.554 -6.507 7.964 1.00 0.00 H new ATOM 0 HE ARG A 141 -2.119 -5.633 8.405 1.00 0.00 H new ATOM 0 HH11 ARG A 141 0.304 -7.780 9.816 1.00 0.00 H new ATOM 0 HH12 ARG A 141 -0.320 -7.595 11.458 1.00 0.00 H new ATOM 0 HH21 ARG A 141 -2.915 -5.405 10.521 1.00 0.00 H new ATOM 0 HH22 ARG A 141 -2.133 -6.258 11.855 1.00 0.00 H new ATOM 766 N SER A 142 0.995 -3.960 3.354 1.00 0.00 N ATOM 767 CA SER A 142 2.043 -4.353 2.409 1.00 0.00 C ATOM 768 C SER A 142 3.396 -3.797 2.841 1.00 0.00 C ATOM 769 O SER A 142 3.539 -2.598 3.083 1.00 0.00 O ATOM 770 CB SER A 142 1.700 -3.850 1.005 1.00 0.00 C ATOM 771 OG SER A 142 2.691 -4.236 0.069 1.00 0.00 O ATOM 0 H SER A 142 1.026 -2.980 3.634 1.00 0.00 H new ATOM 0 HA SER A 142 2.102 -5.441 2.397 1.00 0.00 H new ATOM 0 HB2 SER A 142 0.732 -4.247 0.699 1.00 0.00 H new ATOM 0 HB3 SER A 142 1.609 -2.764 1.016 1.00 0.00 H new ATOM 0 HG SER A 142 2.323 -4.914 -0.536 1.00 0.00 H new ATOM 777 N VAL A 143 4.390 -4.678 2.938 1.00 0.00 N ATOM 778 CA VAL A 143 5.732 -4.274 3.343 1.00 0.00 C ATOM 779 C VAL A 143 6.612 -3.976 2.132 1.00 0.00 C ATOM 780 O VAL A 143 6.718 -4.787 1.213 1.00 0.00 O ATOM 781 CB VAL A 143 6.408 -5.360 4.202 1.00 0.00 C ATOM 782 CG1 VAL A 143 7.808 -4.924 4.612 1.00 0.00 C ATOM 783 CG2 VAL A 143 5.562 -5.672 5.428 1.00 0.00 C ATOM 0 H VAL A 143 4.290 -5.674 2.742 1.00 0.00 H new ATOM 0 HA VAL A 143 5.622 -3.366 3.936 1.00 0.00 H new ATOM 0 HB VAL A 143 6.495 -6.268 3.605 1.00 0.00 H new ATOM 0 HG11 VAL A 143 8.269 -5.704 5.218 1.00 0.00 H new ATOM 0 HG12 VAL A 143 8.411 -4.753 3.721 1.00 0.00 H new ATOM 0 HG13 VAL A 143 7.747 -4.003 5.191 1.00 0.00 H new ATOM 0 HG21 VAL A 143 6.054 -6.441 6.024 1.00 0.00 H new ATOM 0 HG22 VAL A 143 5.443 -4.769 6.027 1.00 0.00 H new ATOM 0 HG23 VAL A 143 4.582 -6.029 5.112 1.00 0.00 H new ATOM 793 N CYS A 144 7.242 -2.808 2.143 1.00 0.00 N ATOM 794 CA CYS A 144 8.118 -2.394 1.053 1.00 0.00 C ATOM 795 C CYS A 144 9.515 -2.989 1.221 1.00 0.00 C ATOM 796 O CYS A 144 10.078 -2.960 2.316 1.00 0.00 O ATOM 797 CB CYS A 144 8.199 -0.868 1.011 1.00 0.00 C ATOM 798 SG CYS A 144 9.127 -0.199 -0.404 1.00 0.00 S ATOM 0 H CYS A 144 7.162 -2.127 2.898 1.00 0.00 H new ATOM 0 HA CYS A 144 7.703 -2.761 0.114 1.00 0.00 H new ATOM 0 HB2 CYS A 144 7.187 -0.464 0.989 1.00 0.00 H new ATOM 0 HB3 CYS A 144 8.663 -0.516 1.932 1.00 0.00 H new ATOM 803 N SER A 145 10.073 -3.528 0.136 1.00 0.00 N ATOM 804 CA SER A 145 11.408 -4.126 0.184 1.00 0.00 C ATOM 805 C SER A 145 11.884 -4.567 -1.200 1.00 0.00 C ATOM 806 O SER A 145 11.153 -5.225 -1.942 1.00 0.00 O ATOM 807 CB SER A 145 11.414 -5.325 1.136 1.00 0.00 C ATOM 808 OG SER A 145 10.490 -6.315 0.716 1.00 0.00 O ATOM 0 H SER A 145 9.626 -3.563 -0.780 1.00 0.00 H new ATOM 0 HA SER A 145 12.095 -3.362 0.548 1.00 0.00 H new ATOM 0 HB2 SER A 145 12.415 -5.753 1.180 1.00 0.00 H new ATOM 0 HB3 SER A 145 11.164 -4.994 2.144 1.00 0.00 H new ATOM 0 HG SER A 145 10.514 -7.071 1.339 1.00 0.00 H new ATOM 814 N GLN A 146 13.124 -4.209 -1.528 1.00 0.00 N ATOM 815 CA GLN A 146 13.729 -4.568 -2.811 1.00 0.00 C ATOM 816 C GLN A 146 12.858 -4.143 -3.989 1.00 0.00 C ATOM 817 O GLN A 146 12.640 -4.915 -4.924 1.00 0.00 O ATOM 818 CB GLN A 146 13.998 -6.074 -2.872 1.00 0.00 C ATOM 819 CG GLN A 146 14.981 -6.558 -1.817 1.00 0.00 C ATOM 820 CD GLN A 146 15.345 -8.024 -1.971 1.00 0.00 C ATOM 821 OE1 GLN A 146 14.814 -8.672 -3.002 1.00 0.00 O flip ATOM 822 NE2 GLN A 146 16.105 -8.570 -1.170 1.00 0.00 N flip ATOM 0 H GLN A 146 13.735 -3.666 -0.918 1.00 0.00 H new ATOM 0 HA GLN A 146 14.674 -4.031 -2.887 1.00 0.00 H new ATOM 0 HB2 GLN A 146 13.056 -6.609 -2.752 1.00 0.00 H new ATOM 0 HB3 GLN A 146 14.384 -6.326 -3.860 1.00 0.00 H new ATOM 0 HG2 GLN A 146 15.889 -5.957 -1.871 1.00 0.00 H new ATOM 0 HG3 GLN A 146 14.551 -6.398 -0.828 1.00 0.00 H new ATOM 0 HE21 GLN A 146 16.492 -8.038 -0.391 1.00 0.00 H new ATOM 0 HE22 GLN A 146 16.347 -9.554 -1.286 1.00 0.00 H new ATOM 831 N GLY A 147 12.370 -2.908 -3.942 1.00 0.00 N ATOM 832 CA GLY A 147 11.536 -2.391 -5.014 1.00 0.00 C ATOM 833 C GLY A 147 10.360 -3.295 -5.338 1.00 0.00 C ATOM 834 O GLY A 147 9.821 -3.249 -6.444 1.00 0.00 O ATOM 0 H GLY A 147 12.537 -2.253 -3.178 1.00 0.00 H new ATOM 0 HA2 GLY A 147 11.164 -1.406 -4.734 1.00 0.00 H new ATOM 0 HA3 GLY A 147 12.144 -2.260 -5.909 1.00 0.00 H new ATOM 838 N GLN A 148 9.958 -4.117 -4.372 1.00 0.00 N ATOM 839 CA GLN A 148 8.834 -5.030 -4.561 1.00 0.00 C ATOM 840 C GLN A 148 8.008 -5.144 -3.285 1.00 0.00 C ATOM 841 O GLN A 148 8.551 -5.371 -2.204 1.00 0.00 O ATOM 842 CB GLN A 148 9.337 -6.412 -4.985 1.00 0.00 C ATOM 843 CG GLN A 148 8.222 -7.415 -5.235 1.00 0.00 C ATOM 844 CD GLN A 148 8.742 -8.766 -5.685 1.00 0.00 C ATOM 845 OE1 GLN A 148 9.499 -9.423 -4.971 1.00 0.00 O ATOM 846 NE2 GLN A 148 8.336 -9.189 -6.877 1.00 0.00 N ATOM 0 H GLN A 148 10.393 -4.170 -3.451 1.00 0.00 H new ATOM 0 HA GLN A 148 8.198 -4.627 -5.349 1.00 0.00 H new ATOM 0 HB2 GLN A 148 9.933 -6.310 -5.892 1.00 0.00 H new ATOM 0 HB3 GLN A 148 9.998 -6.802 -4.211 1.00 0.00 H new ATOM 0 HG2 GLN A 148 7.640 -7.540 -4.322 1.00 0.00 H new ATOM 0 HG3 GLN A 148 7.546 -7.019 -5.993 1.00 0.00 H new ATOM 0 HE21 GLN A 148 7.708 -8.612 -7.436 1.00 0.00 H new ATOM 0 HE22 GLN A 148 8.652 -10.091 -7.233 1.00 0.00 H new ATOM 855 N TRP A 149 6.695 -4.986 -3.413 1.00 0.00 N ATOM 856 CA TRP A 149 5.805 -5.074 -2.260 1.00 0.00 C ATOM 857 C TRP A 149 5.600 -6.523 -1.837 1.00 0.00 C ATOM 858 O TRP A 149 5.381 -7.400 -2.672 1.00 0.00 O ATOM 859 CB TRP A 149 4.459 -4.418 -2.565 1.00 0.00 C ATOM 860 CG TRP A 149 4.586 -2.988 -2.986 1.00 0.00 C ATOM 861 CD1 TRP A 149 4.895 -2.519 -4.232 1.00 0.00 C ATOM 862 CD2 TRP A 149 4.440 -1.838 -2.150 1.00 0.00 C ATOM 863 NE1 TRP A 149 4.928 -1.146 -4.223 1.00 0.00 N ATOM 864 CE2 TRP A 149 4.655 -0.705 -2.954 1.00 0.00 C ATOM 865 CE3 TRP A 149 4.139 -1.657 -0.799 1.00 0.00 C ATOM 866 CZ2 TRP A 149 4.581 0.591 -2.451 1.00 0.00 C ATOM 867 CZ3 TRP A 149 4.067 -0.372 -0.300 1.00 0.00 C ATOM 868 CH2 TRP A 149 4.287 0.737 -1.124 1.00 0.00 C ATOM 0 H TRP A 149 6.225 -4.797 -4.298 1.00 0.00 H new ATOM 0 HA TRP A 149 6.275 -4.539 -1.435 1.00 0.00 H new ATOM 0 HB2 TRP A 149 3.958 -4.980 -3.353 1.00 0.00 H new ATOM 0 HB3 TRP A 149 3.825 -4.475 -1.680 1.00 0.00 H new ATOM 0 HD1 TRP A 149 5.085 -3.137 -5.097 1.00 0.00 H new ATOM 0 HE1 TRP A 149 5.124 -0.552 -5.029 1.00 0.00 H new ATOM 0 HE3 TRP A 149 3.966 -2.507 -0.156 1.00 0.00 H new ATOM 0 HZ2 TRP A 149 4.750 1.449 -3.085 1.00 0.00 H new ATOM 0 HZ3 TRP A 149 3.837 -0.220 0.744 1.00 0.00 H new ATOM 0 HH2 TRP A 149 4.223 1.729 -0.703 1.00 0.00 H new ATOM 879 N SER A 150 5.675 -6.764 -0.532 1.00 0.00 N ATOM 880 CA SER A 150 5.501 -8.105 0.012 1.00 0.00 C ATOM 881 C SER A 150 4.148 -8.686 -0.386 1.00 0.00 C ATOM 882 O SER A 150 4.075 -9.781 -0.944 1.00 0.00 O ATOM 883 CB SER A 150 5.630 -8.078 1.536 1.00 0.00 C ATOM 884 OG SER A 150 6.897 -7.587 1.933 1.00 0.00 O ATOM 0 H SER A 150 5.856 -6.046 0.169 1.00 0.00 H new ATOM 0 HA SER A 150 6.283 -8.742 -0.402 1.00 0.00 H new ATOM 0 HB2 SER A 150 4.845 -7.451 1.959 1.00 0.00 H new ATOM 0 HB3 SER A 150 5.485 -9.082 1.934 1.00 0.00 H new ATOM 0 HG SER A 150 6.960 -6.633 1.718 1.00 0.00 H new ATOM 890 N THR A 151 3.078 -7.949 -0.095 1.00 0.00 N ATOM 891 CA THR A 151 1.734 -8.404 -0.425 1.00 0.00 C ATOM 892 C THR A 151 1.146 -7.612 -1.592 1.00 0.00 C ATOM 893 O THR A 151 1.151 -6.381 -1.580 1.00 0.00 O ATOM 894 CB THR A 151 0.792 -8.281 0.784 1.00 0.00 C ATOM 895 OG1 THR A 151 0.692 -6.910 1.184 1.00 0.00 O ATOM 896 CG2 THR A 151 1.292 -9.120 1.950 1.00 0.00 C ATOM 0 H THR A 151 3.117 -7.040 0.366 1.00 0.00 H new ATOM 0 HA THR A 151 1.820 -9.452 -0.712 1.00 0.00 H new ATOM 0 HB THR A 151 -0.191 -8.649 0.491 1.00 0.00 H new ATOM 0 HG1 THR A 151 0.352 -6.861 2.102 1.00 0.00 H new ATOM 0 HG21 THR A 151 0.608 -9.016 2.793 1.00 0.00 H new ATOM 0 HG22 THR A 151 1.342 -10.167 1.650 1.00 0.00 H new ATOM 0 HG23 THR A 151 2.285 -8.779 2.244 1.00 0.00 H new ATOM 904 N PRO A 152 0.621 -8.311 -2.615 1.00 0.00 N ATOM 905 CA PRO A 152 0.018 -7.668 -3.790 1.00 0.00 C ATOM 906 C PRO A 152 -1.176 -6.797 -3.411 1.00 0.00 C ATOM 907 O PRO A 152 -1.943 -7.141 -2.513 1.00 0.00 O ATOM 908 CB PRO A 152 -0.435 -8.846 -4.661 1.00 0.00 C ATOM 909 CG PRO A 152 0.355 -10.014 -4.175 1.00 0.00 C ATOM 910 CD PRO A 152 0.570 -9.780 -2.708 1.00 0.00 C ATOM 0 HA PRO A 152 0.718 -7.002 -4.294 1.00 0.00 H new ATOM 0 HB2 PRO A 152 -1.505 -9.024 -4.558 1.00 0.00 H new ATOM 0 HB3 PRO A 152 -0.244 -8.652 -5.717 1.00 0.00 H new ATOM 0 HG2 PRO A 152 -0.181 -10.947 -4.348 1.00 0.00 H new ATOM 0 HG3 PRO A 152 1.306 -10.090 -4.702 1.00 0.00 H new ATOM 0 HD2 PRO A 152 -0.241 -10.195 -2.109 1.00 0.00 H new ATOM 0 HD3 PRO A 152 1.494 -10.240 -2.356 1.00 0.00 H new ATOM 918 N LYS A 153 -1.323 -5.664 -4.094 1.00 0.00 N ATOM 919 CA LYS A 153 -2.422 -4.743 -3.820 1.00 0.00 C ATOM 920 C LYS A 153 -3.769 -5.466 -3.833 1.00 0.00 C ATOM 921 O LYS A 153 -4.113 -6.137 -4.805 1.00 0.00 O ATOM 922 CB LYS A 153 -2.437 -3.612 -4.850 1.00 0.00 C ATOM 923 CG LYS A 153 -3.545 -2.597 -4.618 1.00 0.00 C ATOM 924 CD LYS A 153 -3.608 -1.571 -5.738 1.00 0.00 C ATOM 925 CE LYS A 153 -4.710 -0.552 -5.494 1.00 0.00 C ATOM 926 NZ LYS A 153 -6.039 -1.201 -5.325 1.00 0.00 N ATOM 0 H LYS A 153 -0.696 -5.363 -4.840 1.00 0.00 H new ATOM 0 HA LYS A 153 -2.264 -4.326 -2.825 1.00 0.00 H new ATOM 0 HB2 LYS A 153 -1.475 -3.100 -4.830 1.00 0.00 H new ATOM 0 HB3 LYS A 153 -2.549 -4.040 -5.846 1.00 0.00 H new ATOM 0 HG2 LYS A 153 -4.502 -3.113 -4.543 1.00 0.00 H new ATOM 0 HG3 LYS A 153 -3.381 -2.089 -3.668 1.00 0.00 H new ATOM 0 HD2 LYS A 153 -2.649 -1.060 -5.820 1.00 0.00 H new ATOM 0 HD3 LYS A 153 -3.782 -2.077 -6.688 1.00 0.00 H new ATOM 0 HE2 LYS A 153 -4.475 0.031 -4.603 1.00 0.00 H new ATOM 0 HE3 LYS A 153 -4.751 0.146 -6.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 -6.713 -0.795 -6.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 -5.950 -2.223 -5.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 -6.384 -1.039 -4.357 1.00 0.00 H new ATOM 940 N PRO A 154 -4.554 -5.334 -2.746 1.00 0.00 N ATOM 941 CA PRO A 154 -5.867 -5.973 -2.637 1.00 0.00 C ATOM 942 C PRO A 154 -6.951 -5.211 -3.397 1.00 0.00 C ATOM 943 O PRO A 154 -6.672 -4.568 -4.410 1.00 0.00 O ATOM 944 CB PRO A 154 -6.136 -5.944 -1.135 1.00 0.00 C ATOM 945 CG PRO A 154 -5.419 -4.731 -0.647 1.00 0.00 C ATOM 946 CD PRO A 154 -4.220 -4.550 -1.541 1.00 0.00 C ATOM 0 HA PRO A 154 -5.878 -6.974 -3.069 1.00 0.00 H new ATOM 0 HB2 PRO A 154 -7.204 -5.885 -0.925 1.00 0.00 H new ATOM 0 HB3 PRO A 154 -5.765 -6.846 -0.648 1.00 0.00 H new ATOM 0 HG2 PRO A 154 -6.067 -3.856 -0.687 1.00 0.00 H new ATOM 0 HG3 PRO A 154 -5.113 -4.854 0.392 1.00 0.00 H new ATOM 0 HD2 PRO A 154 -4.055 -3.500 -1.781 1.00 0.00 H new ATOM 0 HD3 PRO A 154 -3.309 -4.915 -1.067 1.00 0.00 H new ATOM 954 N HIS A 155 -8.187 -5.286 -2.906 1.00 0.00 N ATOM 955 CA HIS A 155 -9.306 -4.601 -3.548 1.00 0.00 C ATOM 956 C HIS A 155 -10.416 -4.285 -2.547 1.00 0.00 C ATOM 957 O HIS A 155 -10.716 -5.090 -1.665 1.00 0.00 O ATOM 958 CB HIS A 155 -9.858 -5.453 -4.692 1.00 0.00 C ATOM 959 CG HIS A 155 -10.259 -6.833 -4.271 1.00 0.00 C ATOM 960 ND1 HIS A 155 -9.381 -7.729 -3.699 1.00 0.00 N ATOM 961 CD2 HIS A 155 -11.452 -7.471 -4.343 1.00 0.00 C ATOM 962 CE1 HIS A 155 -10.015 -8.858 -3.437 1.00 0.00 C ATOM 963 NE2 HIS A 155 -11.273 -8.727 -3.818 1.00 0.00 N ATOM 0 H HIS A 155 -8.438 -5.812 -2.069 1.00 0.00 H new ATOM 0 HA HIS A 155 -8.936 -3.657 -3.948 1.00 0.00 H new ATOM 0 HB2 HIS A 155 -10.722 -4.949 -5.126 1.00 0.00 H new ATOM 0 HB3 HIS A 155 -9.105 -5.526 -5.476 1.00 0.00 H new ATOM 0 HD2 HIS A 155 -12.372 -7.067 -4.739 1.00 0.00 H new ATOM 0 HE1 HIS A 155 -9.579 -9.738 -2.988 1.00 0.00 H new ATOM 0 HE2 HIS A 155 -11.995 -9.443 -3.736 1.00 0.00 H new ATOM 972 N CYS A 156 -11.029 -3.112 -2.696 1.00 0.00 N ATOM 973 CA CYS A 156 -12.115 -2.695 -1.812 1.00 0.00 C ATOM 974 C CYS A 156 -13.468 -2.959 -2.463 1.00 0.00 C ATOM 975 O CYS A 156 -13.682 -2.633 -3.630 1.00 0.00 O ATOM 976 CB CYS A 156 -11.987 -1.209 -1.462 1.00 0.00 C ATOM 977 SG CYS A 156 -10.583 -0.814 -0.370 1.00 0.00 S ATOM 0 H CYS A 156 -10.792 -2.434 -3.420 1.00 0.00 H new ATOM 0 HA CYS A 156 -12.046 -3.279 -0.894 1.00 0.00 H new ATOM 0 HB2 CYS A 156 -11.886 -0.638 -2.385 1.00 0.00 H new ATOM 0 HB3 CYS A 156 -12.909 -0.880 -0.982 1.00 0.00 H new ATOM 982 N GLN A 157 -14.379 -3.561 -1.702 1.00 0.00 N ATOM 983 CA GLN A 157 -15.710 -3.879 -2.207 1.00 0.00 C ATOM 984 C GLN A 157 -16.753 -2.894 -1.688 1.00 0.00 C ATOM 985 O GLN A 157 -16.792 -2.585 -0.497 1.00 0.00 O ATOM 986 CB GLN A 157 -16.102 -5.301 -1.807 1.00 0.00 C ATOM 987 CG GLN A 157 -15.191 -6.372 -2.383 1.00 0.00 C ATOM 988 CD GLN A 157 -15.584 -7.768 -1.943 1.00 0.00 C ATOM 989 OE1 GLN A 157 -15.564 -8.084 -0.753 1.00 0.00 O ATOM 990 NE2 GLN A 157 -15.951 -8.610 -2.902 1.00 0.00 N ATOM 0 H GLN A 157 -14.219 -3.838 -0.733 1.00 0.00 H new ATOM 0 HA GLN A 157 -15.678 -3.802 -3.294 1.00 0.00 H new ATOM 0 HB2 GLN A 157 -16.096 -5.378 -0.720 1.00 0.00 H new ATOM 0 HB3 GLN A 157 -17.124 -5.492 -2.134 1.00 0.00 H new ATOM 0 HG2 GLN A 157 -15.215 -6.318 -3.471 1.00 0.00 H new ATOM 0 HG3 GLN A 157 -14.164 -6.174 -2.076 1.00 0.00 H new ATOM 0 HE21 GLN A 157 -15.953 -8.305 -3.875 1.00 0.00 H new ATOM 0 HE22 GLN A 157 -16.231 -9.562 -2.665 1.00 0.00 H new ATOM 999 N VAL A 158 -17.603 -2.416 -2.590 1.00 0.00 N ATOM 1000 CA VAL A 158 -18.659 -1.478 -2.230 1.00 0.00 C ATOM 1001 C VAL A 158 -19.743 -2.173 -1.411 1.00 0.00 C ATOM 1002 O VAL A 158 -20.126 -3.305 -1.709 1.00 0.00 O ATOM 1003 CB VAL A 158 -19.294 -0.840 -3.481 1.00 0.00 C ATOM 1004 CG1 VAL A 158 -19.897 -1.908 -4.382 1.00 0.00 C ATOM 1005 CG2 VAL A 158 -20.343 0.189 -3.085 1.00 0.00 C ATOM 0 H VAL A 158 -17.581 -2.664 -3.579 1.00 0.00 H new ATOM 0 HA VAL A 158 -18.202 -0.691 -1.630 1.00 0.00 H new ATOM 0 HB VAL A 158 -18.510 -0.328 -4.040 1.00 0.00 H new ATOM 0 HG11 VAL A 158 -20.340 -1.436 -5.259 1.00 0.00 H new ATOM 0 HG12 VAL A 158 -19.117 -2.601 -4.698 1.00 0.00 H new ATOM 0 HG13 VAL A 158 -20.667 -2.453 -3.835 1.00 0.00 H new ATOM 0 HG21 VAL A 158 -20.779 0.628 -3.982 1.00 0.00 H new ATOM 0 HG22 VAL A 158 -21.125 -0.295 -2.501 1.00 0.00 H new ATOM 0 HG23 VAL A 158 -19.877 0.973 -2.488 1.00 0.00 H new ATOM 1015 N ASN A 159 -20.231 -1.494 -0.377 1.00 0.00 N ATOM 1016 CA ASN A 159 -21.270 -2.055 0.483 1.00 0.00 C ATOM 1017 C ASN A 159 -22.495 -2.462 -0.332 1.00 0.00 C ATOM 1018 O ASN A 159 -23.313 -3.252 0.186 1.00 0.00 O ATOM 1019 CB ASN A 159 -21.676 -1.048 1.560 1.00 0.00 C ATOM 1020 CG ASN A 159 -22.212 0.245 0.978 1.00 0.00 C ATOM 1021 OD1 ASN A 159 -21.587 1.359 1.338 1.00 0.00 O flip ATOM 1022 ND2 ASN A 159 -23.181 0.244 0.218 1.00 0.00 N flip ATOM 1023 OXT ASN A 159 -22.627 -1.987 -1.480 1.00 0.00 O ATOM 0 H ASN A 159 -19.925 -0.557 -0.114 1.00 0.00 H new ATOM 0 HA ASN A 159 -20.861 -2.944 0.963 1.00 0.00 H new ATOM 0 HB2 ASN A 159 -22.435 -1.495 2.202 1.00 0.00 H new ATOM 0 HB3 ASN A 159 -20.814 -0.829 2.190 1.00 0.00 H new ATOM 0 HD21 ASN A 159 -23.632 -0.636 -0.033 1.00 0.00 H new ATOM 0 HD22 ASN A 159 -23.533 1.123 -0.161 1.00 0.00 H new TER 1030 ASN A 159