USER MOD reduce.3.24.130724 H: found=0, std=0, add=501, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 504 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 139 SER OG : rot -56:sc= 1.48 USER MOD Set 1.2: A 142 SER OG : rot -145:sc= 1.04 USER MOD Set 1.3: A 150 SER OG : rot 170:sc= -0.171 USER MOD Set 1.4: A 151 THR OG1 : rot 64:sc= 1.29 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ -163:sc= -0.0639 (180deg=-0.364) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 165:sc= 0 USER MOD Single : A 105 THR OG1 : rot -39:sc= 1.16 USER MOD Single : A 108 ASN :FLIP amide:sc= -1.55 F(o=-2.6!,f=-1.6) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 THR OG1 : rot 180:sc= -0.0665 USER MOD Single : A 135 HIS : no HD1:sc= -0.482 K(o=-0.48,f=-4.5!) USER MOD Single : A 140 SER OG : rot 180:sc= 0 USER MOD Single : A 145 SER OG : rot -136:sc= 0.344 USER MOD Single : A 146 GLN : amide:sc= -0.794 K(o=-0.79,f=-3!) USER MOD Single : A 148 GLN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD Single : A 153 LYS NZ :NH3+ -142:sc= -7.96! (180deg=-13!) USER MOD Single : A 155 HIS : no HD1:sc= -0.462 K(o=-0.46,f=-1.2) USER MOD Single : A 157 GLN :FLIP amide:sc= -0.586 F(o=-3.2!,f=-0.59) USER MOD Single : A 159 ASN : amide:sc= -0.395 K(o=-0.4,f=-2.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 92 16.292 12.382 -16.904 1.00 0.00 N ATOM 2 CA GLU A 92 15.483 11.984 -15.723 1.00 0.00 C ATOM 3 C GLU A 92 15.644 10.498 -15.421 1.00 0.00 C ATOM 4 O GLU A 92 14.660 9.778 -15.253 1.00 0.00 O ATOM 5 CB GLU A 92 14.015 12.313 -16.005 1.00 0.00 C ATOM 6 CG GLU A 92 13.762 13.786 -16.283 1.00 0.00 C ATOM 7 CD GLU A 92 14.163 14.675 -15.121 1.00 0.00 C ATOM 8 OE1 GLU A 92 13.606 14.497 -14.018 1.00 0.00 O ATOM 9 OE2 GLU A 92 15.033 15.550 -15.317 1.00 0.00 O ATOM 0 HA GLU A 92 15.829 12.535 -14.848 1.00 0.00 H new ATOM 0 HB2 GLU A 92 13.678 11.728 -16.861 1.00 0.00 H new ATOM 0 HB3 GLU A 92 13.412 12.005 -15.151 1.00 0.00 H new ATOM 0 HG2 GLU A 92 14.316 14.085 -17.173 1.00 0.00 H new ATOM 0 HG3 GLU A 92 12.705 13.935 -16.502 1.00 0.00 H new ATOM 18 N ALA A 93 16.893 10.045 -15.357 1.00 0.00 N ATOM 19 CA ALA A 93 17.188 8.643 -15.078 1.00 0.00 C ATOM 20 C ALA A 93 16.768 8.262 -13.659 1.00 0.00 C ATOM 21 O ALA A 93 15.718 8.690 -13.179 1.00 0.00 O ATOM 22 CB ALA A 93 18.672 8.371 -15.291 1.00 0.00 C ATOM 0 H ALA A 93 17.718 10.629 -15.495 1.00 0.00 H new ATOM 0 HA ALA A 93 16.613 8.027 -15.769 1.00 0.00 H new ATOM 0 HB1 ALA A 93 18.884 7.323 -15.081 1.00 0.00 H new ATOM 0 HB2 ALA A 93 18.938 8.595 -16.324 1.00 0.00 H new ATOM 0 HB3 ALA A 93 19.257 9.001 -14.621 1.00 0.00 H new ATOM 28 N GLU A 94 17.590 7.456 -12.988 1.00 0.00 N ATOM 29 CA GLU A 94 17.295 7.022 -11.628 1.00 0.00 C ATOM 30 C GLU A 94 18.457 6.225 -11.043 1.00 0.00 C ATOM 31 O GLU A 94 19.023 5.354 -11.704 1.00 0.00 O ATOM 32 CB GLU A 94 16.011 6.182 -11.592 1.00 0.00 C ATOM 33 CG GLU A 94 16.113 4.835 -12.302 1.00 0.00 C ATOM 34 CD GLU A 94 16.334 4.952 -13.799 1.00 0.00 C ATOM 35 OE1 GLU A 94 17.445 5.348 -14.210 1.00 0.00 O ATOM 36 OE2 GLU A 94 15.393 4.650 -14.562 1.00 0.00 O ATOM 0 H GLU A 94 18.465 7.092 -13.366 1.00 0.00 H new ATOM 0 HA GLU A 94 17.148 7.914 -11.020 1.00 0.00 H new ATOM 0 HB2 GLU A 94 15.734 6.010 -10.552 1.00 0.00 H new ATOM 0 HB3 GLU A 94 15.204 6.757 -12.046 1.00 0.00 H new ATOM 0 HG2 GLU A 94 16.933 4.265 -11.866 1.00 0.00 H new ATOM 0 HG3 GLU A 94 15.200 4.268 -12.121 1.00 0.00 H new ATOM 43 N PHE A 95 18.807 6.534 -9.797 1.00 0.00 N ATOM 44 CA PHE A 95 19.902 5.853 -9.113 1.00 0.00 C ATOM 45 C PHE A 95 19.520 4.413 -8.764 1.00 0.00 C ATOM 46 O PHE A 95 19.035 3.668 -9.616 1.00 0.00 O ATOM 47 CB PHE A 95 20.298 6.620 -7.847 1.00 0.00 C ATOM 48 CG PHE A 95 20.910 7.969 -8.113 1.00 0.00 C ATOM 49 CD1 PHE A 95 20.224 8.932 -8.838 1.00 0.00 C ATOM 50 CD2 PHE A 95 22.176 8.272 -7.637 1.00 0.00 C ATOM 51 CE1 PHE A 95 20.788 10.170 -9.081 1.00 0.00 C ATOM 52 CE2 PHE A 95 22.745 9.507 -7.877 1.00 0.00 C ATOM 53 CZ PHE A 95 22.050 10.457 -8.600 1.00 0.00 C ATOM 0 H PHE A 95 18.347 7.254 -9.240 1.00 0.00 H new ATOM 0 HA PHE A 95 20.757 5.823 -9.788 1.00 0.00 H new ATOM 0 HB2 PHE A 95 19.414 6.751 -7.223 1.00 0.00 H new ATOM 0 HB3 PHE A 95 21.005 6.018 -7.276 1.00 0.00 H new ATOM 0 HD1 PHE A 95 19.237 8.712 -9.217 1.00 0.00 H new ATOM 0 HD2 PHE A 95 22.724 7.533 -7.071 1.00 0.00 H new ATOM 0 HE1 PHE A 95 20.243 10.912 -9.646 1.00 0.00 H new ATOM 0 HE2 PHE A 95 23.732 9.730 -7.500 1.00 0.00 H new ATOM 0 HZ PHE A 95 22.493 11.423 -8.789 1.00 0.00 H new ATOM 63 N VAL A 96 19.748 4.026 -7.509 1.00 0.00 N ATOM 64 CA VAL A 96 19.431 2.679 -7.046 1.00 0.00 C ATOM 65 C VAL A 96 17.994 2.296 -7.384 1.00 0.00 C ATOM 66 O VAL A 96 17.101 3.142 -7.382 1.00 0.00 O ATOM 67 CB VAL A 96 19.642 2.546 -5.525 1.00 0.00 C ATOM 68 CG1 VAL A 96 21.112 2.709 -5.172 1.00 0.00 C ATOM 69 CG2 VAL A 96 18.789 3.562 -4.778 1.00 0.00 C ATOM 0 H VAL A 96 20.153 4.630 -6.794 1.00 0.00 H new ATOM 0 HA VAL A 96 20.111 2.002 -7.564 1.00 0.00 H new ATOM 0 HB VAL A 96 19.329 1.548 -5.219 1.00 0.00 H new ATOM 0 HG11 VAL A 96 21.240 2.612 -4.094 1.00 0.00 H new ATOM 0 HG12 VAL A 96 21.695 1.939 -5.678 1.00 0.00 H new ATOM 0 HG13 VAL A 96 21.456 3.693 -5.491 1.00 0.00 H new ATOM 0 HG21 VAL A 96 18.950 3.454 -3.705 1.00 0.00 H new ATOM 0 HG22 VAL A 96 19.068 4.569 -5.087 1.00 0.00 H new ATOM 0 HG23 VAL A 96 17.737 3.391 -5.006 1.00 0.00 H new ATOM 79 N ARG A 97 17.785 1.016 -7.678 1.00 0.00 N ATOM 80 CA ARG A 97 16.461 0.506 -8.025 1.00 0.00 C ATOM 81 C ARG A 97 15.528 0.503 -6.812 1.00 0.00 C ATOM 82 O ARG A 97 15.177 -0.552 -6.283 1.00 0.00 O ATOM 83 CB ARG A 97 16.573 -0.902 -8.620 1.00 0.00 C ATOM 84 CG ARG A 97 17.319 -1.892 -7.739 1.00 0.00 C ATOM 85 CD ARG A 97 17.448 -3.247 -8.416 1.00 0.00 C ATOM 86 NE ARG A 97 18.155 -4.219 -7.585 1.00 0.00 N ATOM 87 CZ ARG A 97 17.700 -4.666 -6.418 1.00 0.00 C ATOM 88 NH1 ARG A 97 16.541 -4.230 -5.942 1.00 0.00 N ATOM 89 NH2 ARG A 97 18.402 -5.553 -5.727 1.00 0.00 N ATOM 0 H ARG A 97 18.520 0.309 -7.683 1.00 0.00 H new ATOM 0 HA ARG A 97 16.030 1.172 -8.773 1.00 0.00 H new ATOM 0 HB2 ARG A 97 15.570 -1.285 -8.810 1.00 0.00 H new ATOM 0 HB3 ARG A 97 17.078 -0.838 -9.584 1.00 0.00 H new ATOM 0 HG2 ARG A 97 18.311 -1.502 -7.509 1.00 0.00 H new ATOM 0 HG3 ARG A 97 16.794 -2.006 -6.791 1.00 0.00 H new ATOM 0 HD2 ARG A 97 16.455 -3.629 -8.652 1.00 0.00 H new ATOM 0 HD3 ARG A 97 17.977 -3.129 -9.362 1.00 0.00 H new ATOM 0 HE ARG A 97 19.050 -4.576 -7.920 1.00 0.00 H new ATOM 0 HH11 ARG A 97 15.996 -3.550 -6.471 1.00 0.00 H new ATOM 0 HH12 ARG A 97 16.195 -4.575 -5.047 1.00 0.00 H new ATOM 0 HH21 ARG A 97 19.292 -5.893 -6.090 1.00 0.00 H new ATOM 0 HH22 ARG A 97 18.052 -5.895 -4.832 1.00 0.00 H new ATOM 103 N ILE A 98 15.130 1.697 -6.381 1.00 0.00 N ATOM 104 CA ILE A 98 14.239 1.852 -5.237 1.00 0.00 C ATOM 105 C ILE A 98 12.967 1.027 -5.408 1.00 0.00 C ATOM 106 O ILE A 98 12.558 0.729 -6.531 1.00 0.00 O ATOM 107 CB ILE A 98 13.855 3.330 -5.027 1.00 0.00 C ATOM 108 CG1 ILE A 98 13.115 3.868 -6.257 1.00 0.00 C ATOM 109 CG2 ILE A 98 15.097 4.161 -4.741 1.00 0.00 C ATOM 110 CD1 ILE A 98 12.683 5.313 -6.127 1.00 0.00 C ATOM 0 H ILE A 98 15.414 2.577 -6.811 1.00 0.00 H new ATOM 0 HA ILE A 98 14.782 1.493 -4.362 1.00 0.00 H new ATOM 0 HB ILE A 98 13.188 3.401 -4.168 1.00 0.00 H new ATOM 0 HG12 ILE A 98 13.760 3.769 -7.130 1.00 0.00 H new ATOM 0 HG13 ILE A 98 12.235 3.251 -6.439 1.00 0.00 H new ATOM 0 HG21 ILE A 98 14.812 5.203 -4.595 1.00 0.00 H new ATOM 0 HG22 ILE A 98 15.585 3.788 -3.840 1.00 0.00 H new ATOM 0 HG23 ILE A 98 15.785 4.088 -5.583 1.00 0.00 H new ATOM 0 HD11 ILE A 98 12.166 5.622 -7.036 1.00 0.00 H new ATOM 0 HD12 ILE A 98 12.011 5.417 -5.275 1.00 0.00 H new ATOM 0 HD13 ILE A 98 13.560 5.943 -5.976 1.00 0.00 H new ATOM 122 N CYS A 99 12.347 0.659 -4.287 1.00 0.00 N ATOM 123 CA CYS A 99 11.120 -0.133 -4.309 1.00 0.00 C ATOM 124 C CYS A 99 10.127 0.426 -5.325 1.00 0.00 C ATOM 125 O CYS A 99 10.009 1.640 -5.490 1.00 0.00 O ATOM 126 CB CYS A 99 10.484 -0.177 -2.917 1.00 0.00 C ATOM 127 SG CYS A 99 11.456 -1.101 -1.683 1.00 0.00 S ATOM 0 H CYS A 99 12.676 0.898 -3.351 1.00 0.00 H new ATOM 0 HA CYS A 99 11.381 -1.148 -4.608 1.00 0.00 H new ATOM 0 HB2 CYS A 99 10.342 0.844 -2.562 1.00 0.00 H new ATOM 0 HB3 CYS A 99 9.495 -0.627 -2.996 1.00 0.00 H new ATOM 132 N SER A 100 9.431 -0.475 -6.014 1.00 0.00 N ATOM 133 CA SER A 100 8.459 -0.092 -7.033 1.00 0.00 C ATOM 134 C SER A 100 7.515 0.998 -6.535 1.00 0.00 C ATOM 135 O SER A 100 6.849 0.843 -5.511 1.00 0.00 O ATOM 136 CB SER A 100 7.649 -1.312 -7.473 1.00 0.00 C ATOM 137 OG SER A 100 8.491 -2.324 -7.997 1.00 0.00 O ATOM 0 H SER A 100 9.524 -1.482 -5.883 1.00 0.00 H new ATOM 0 HA SER A 100 9.015 0.306 -7.882 1.00 0.00 H new ATOM 0 HB2 SER A 100 7.088 -1.705 -6.625 1.00 0.00 H new ATOM 0 HB3 SER A 100 6.920 -1.015 -8.227 1.00 0.00 H new ATOM 0 HG SER A 100 7.948 -3.093 -8.269 1.00 0.00 H new ATOM 143 N LYS A 101 7.456 2.097 -7.281 1.00 0.00 N ATOM 144 CA LYS A 101 6.587 3.217 -6.941 1.00 0.00 C ATOM 145 C LYS A 101 5.164 2.947 -7.421 1.00 0.00 C ATOM 146 O LYS A 101 4.223 3.643 -7.040 1.00 0.00 O ATOM 147 CB LYS A 101 7.125 4.512 -7.557 1.00 0.00 C ATOM 148 CG LYS A 101 6.276 5.737 -7.252 1.00 0.00 C ATOM 149 CD LYS A 101 6.917 7.011 -7.782 1.00 0.00 C ATOM 150 CE LYS A 101 8.208 7.335 -7.047 1.00 0.00 C ATOM 151 NZ LYS A 101 7.977 7.549 -5.592 1.00 0.00 N ATOM 0 H LYS A 101 8.004 2.235 -8.130 1.00 0.00 H new ATOM 0 HA LYS A 101 6.570 3.331 -5.857 1.00 0.00 H new ATOM 0 HB2 LYS A 101 8.138 4.683 -7.192 1.00 0.00 H new ATOM 0 HB3 LYS A 101 7.192 4.388 -8.638 1.00 0.00 H new ATOM 0 HG2 LYS A 101 5.288 5.615 -7.696 1.00 0.00 H new ATOM 0 HG3 LYS A 101 6.133 5.822 -6.175 1.00 0.00 H new ATOM 0 HD2 LYS A 101 7.122 6.900 -8.847 1.00 0.00 H new ATOM 0 HD3 LYS A 101 6.219 7.842 -7.676 1.00 0.00 H new ATOM 0 HE2 LYS A 101 8.920 6.521 -7.186 1.00 0.00 H new ATOM 0 HE3 LYS A 101 8.658 8.229 -7.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 8.796 8.040 -5.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 7.123 8.127 -5.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 7.851 6.630 -5.122 1.00 0.00 H new ATOM 165 N SER A 102 5.022 1.931 -8.268 1.00 0.00 N ATOM 166 CA SER A 102 3.723 1.557 -8.818 1.00 0.00 C ATOM 167 C SER A 102 2.696 1.341 -7.712 1.00 0.00 C ATOM 168 O SER A 102 1.530 1.699 -7.863 1.00 0.00 O ATOM 169 CB SER A 102 3.852 0.286 -9.660 1.00 0.00 C ATOM 170 OG SER A 102 4.321 -0.798 -8.880 1.00 0.00 O ATOM 0 H SER A 102 5.796 1.349 -8.590 1.00 0.00 H new ATOM 0 HA SER A 102 3.379 2.376 -9.449 1.00 0.00 H new ATOM 0 HB2 SER A 102 2.884 0.034 -10.094 1.00 0.00 H new ATOM 0 HB3 SER A 102 4.536 0.464 -10.490 1.00 0.00 H new ATOM 0 HG SER A 102 4.393 -1.598 -9.441 1.00 0.00 H new ATOM 176 N TYR A 103 3.132 0.755 -6.601 1.00 0.00 N ATOM 177 CA TYR A 103 2.240 0.495 -5.473 1.00 0.00 C ATOM 178 C TYR A 103 1.423 1.733 -5.111 1.00 0.00 C ATOM 179 O TYR A 103 0.287 1.622 -4.652 1.00 0.00 O ATOM 180 CB TYR A 103 3.036 0.015 -4.257 1.00 0.00 C ATOM 181 CG TYR A 103 3.470 -1.433 -4.344 1.00 0.00 C ATOM 182 CD1 TYR A 103 4.177 -1.909 -5.441 1.00 0.00 C ATOM 183 CD2 TYR A 103 3.165 -2.326 -3.323 1.00 0.00 C ATOM 184 CE1 TYR A 103 4.568 -3.232 -5.518 1.00 0.00 C ATOM 185 CE2 TYR A 103 3.552 -3.650 -3.393 1.00 0.00 C ATOM 186 CZ TYR A 103 4.253 -4.098 -4.492 1.00 0.00 C ATOM 187 OH TYR A 103 4.641 -5.416 -4.565 1.00 0.00 O ATOM 0 H TYR A 103 4.095 0.451 -6.457 1.00 0.00 H new ATOM 0 HA TYR A 103 1.547 -0.291 -5.775 1.00 0.00 H new ATOM 0 HB2 TYR A 103 3.919 0.643 -4.142 1.00 0.00 H new ATOM 0 HB3 TYR A 103 2.430 0.150 -3.361 1.00 0.00 H new ATOM 0 HD1 TYR A 103 4.425 -1.234 -6.247 1.00 0.00 H new ATOM 0 HD2 TYR A 103 2.616 -1.978 -2.460 1.00 0.00 H new ATOM 0 HE1 TYR A 103 5.118 -3.586 -6.378 1.00 0.00 H new ATOM 0 HE2 TYR A 103 3.307 -4.331 -2.591 1.00 0.00 H new ATOM 0 HH TYR A 103 4.561 -5.830 -3.680 1.00 0.00 H new ATOM 197 N LEU A 104 2.007 2.909 -5.317 1.00 0.00 N ATOM 198 CA LEU A 104 1.329 4.166 -5.009 1.00 0.00 C ATOM 199 C LEU A 104 0.294 4.524 -6.078 1.00 0.00 C ATOM 200 O LEU A 104 0.143 5.691 -6.441 1.00 0.00 O ATOM 201 CB LEU A 104 2.354 5.294 -4.870 1.00 0.00 C ATOM 202 CG LEU A 104 3.396 5.089 -3.766 1.00 0.00 C ATOM 203 CD1 LEU A 104 4.382 6.247 -3.741 1.00 0.00 C ATOM 204 CD2 LEU A 104 2.719 4.936 -2.411 1.00 0.00 C ATOM 0 H LEU A 104 2.948 3.019 -5.696 1.00 0.00 H new ATOM 0 HA LEU A 104 0.801 4.038 -4.064 1.00 0.00 H new ATOM 0 HB2 LEU A 104 2.873 5.412 -5.821 1.00 0.00 H new ATOM 0 HB3 LEU A 104 1.822 6.226 -4.679 1.00 0.00 H new ATOM 0 HG LEU A 104 3.946 4.173 -3.980 1.00 0.00 H new ATOM 0 HD11 LEU A 104 5.115 6.084 -2.951 1.00 0.00 H new ATOM 0 HD12 LEU A 104 4.893 6.311 -4.702 1.00 0.00 H new ATOM 0 HD13 LEU A 104 3.846 7.177 -3.553 1.00 0.00 H new ATOM 0 HD21 LEU A 104 3.476 4.791 -1.640 1.00 0.00 H new ATOM 0 HD22 LEU A 104 2.142 5.834 -2.189 1.00 0.00 H new ATOM 0 HD23 LEU A 104 2.053 4.073 -2.432 1.00 0.00 H new ATOM 216 N THR A 105 -0.425 3.516 -6.569 1.00 0.00 N ATOM 217 CA THR A 105 -1.457 3.719 -7.585 1.00 0.00 C ATOM 218 C THR A 105 -2.590 2.717 -7.398 1.00 0.00 C ATOM 219 O THR A 105 -2.888 1.924 -8.294 1.00 0.00 O ATOM 220 CB THR A 105 -0.901 3.583 -9.018 1.00 0.00 C ATOM 221 OG1 THR A 105 -0.436 2.248 -9.242 1.00 0.00 O ATOM 222 CG2 THR A 105 0.234 4.567 -9.262 1.00 0.00 C ATOM 0 H THR A 105 -0.311 2.545 -6.278 1.00 0.00 H new ATOM 0 HA THR A 105 -1.828 4.736 -7.457 1.00 0.00 H new ATOM 0 HB THR A 105 -1.709 3.808 -9.714 1.00 0.00 H new ATOM 0 HG1 THR A 105 0.005 1.915 -8.433 1.00 0.00 H new ATOM 0 HG21 THR A 105 0.606 4.448 -10.280 1.00 0.00 H new ATOM 0 HG22 THR A 105 -0.131 5.585 -9.126 1.00 0.00 H new ATOM 0 HG23 THR A 105 1.041 4.374 -8.556 1.00 0.00 H new ATOM 230 N LEU A 106 -3.207 2.742 -6.222 1.00 0.00 N ATOM 231 CA LEU A 106 -4.294 1.821 -5.909 1.00 0.00 C ATOM 232 C LEU A 106 -5.655 2.436 -6.213 1.00 0.00 C ATOM 233 O LEU A 106 -5.950 3.558 -5.801 1.00 0.00 O ATOM 234 CB LEU A 106 -4.224 1.415 -4.436 1.00 0.00 C ATOM 235 CG LEU A 106 -5.324 0.463 -3.960 1.00 0.00 C ATOM 236 CD1 LEU A 106 -5.388 -0.775 -4.843 1.00 0.00 C ATOM 237 CD2 LEU A 106 -5.087 0.072 -2.510 1.00 0.00 C ATOM 0 H LEU A 106 -2.973 3.390 -5.470 1.00 0.00 H new ATOM 0 HA LEU A 106 -4.177 0.939 -6.538 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -3.257 0.946 -4.252 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -4.261 2.318 -3.827 1.00 0.00 H new ATOM 0 HG LEU A 106 -6.281 0.979 -4.032 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -6.177 -1.437 -4.485 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -5.601 -0.479 -5.870 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -4.432 -1.298 -4.807 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -5.876 -0.605 -2.182 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -4.121 -0.425 -2.420 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -5.094 0.966 -1.886 1.00 0.00 H new ATOM 249 N GLU A 107 -6.480 1.684 -6.933 1.00 0.00 N ATOM 250 CA GLU A 107 -7.817 2.136 -7.293 1.00 0.00 C ATOM 251 C GLU A 107 -8.734 2.133 -6.075 1.00 0.00 C ATOM 252 O GLU A 107 -8.720 1.193 -5.280 1.00 0.00 O ATOM 253 CB GLU A 107 -8.398 1.243 -8.392 1.00 0.00 C ATOM 254 CG GLU A 107 -9.796 1.647 -8.832 1.00 0.00 C ATOM 255 CD GLU A 107 -10.350 0.745 -9.919 1.00 0.00 C ATOM 256 OE1 GLU A 107 -9.643 -0.202 -10.324 1.00 0.00 O ATOM 257 OE2 GLU A 107 -11.493 0.985 -10.364 1.00 0.00 O ATOM 0 H GLU A 107 -6.244 0.754 -7.280 1.00 0.00 H new ATOM 0 HA GLU A 107 -7.745 3.157 -7.667 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -7.734 1.266 -9.256 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -8.422 0.213 -8.036 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -10.464 1.625 -7.971 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -9.776 2.675 -9.194 1.00 0.00 H new ATOM 264 N ASN A 108 -9.529 3.189 -5.938 1.00 0.00 N ATOM 265 CA ASN A 108 -10.457 3.314 -4.818 1.00 0.00 C ATOM 266 C ASN A 108 -9.715 3.287 -3.485 1.00 0.00 C ATOM 267 O ASN A 108 -10.173 2.675 -2.518 1.00 0.00 O ATOM 268 CB ASN A 108 -11.499 2.194 -4.860 1.00 0.00 C ATOM 269 CG ASN A 108 -12.323 2.218 -6.132 1.00 0.00 C ATOM 270 OD1 ASN A 108 -12.272 1.130 -6.892 1.00 0.00 O flip ATOM 271 ND2 ASN A 108 -13.001 3.203 -6.427 1.00 0.00 N flip ATOM 0 H ASN A 108 -9.550 3.973 -6.590 1.00 0.00 H new ATOM 0 HA ASN A 108 -10.964 4.274 -4.909 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -10.996 1.231 -4.774 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -12.162 2.286 -3.999 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -13.011 4.018 -5.813 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -13.553 3.204 -7.285 1.00 0.00 H new ATOM 278 N GLY A 109 -8.571 3.963 -3.434 1.00 0.00 N ATOM 279 CA GLY A 109 -7.792 4.012 -2.212 1.00 0.00 C ATOM 280 C GLY A 109 -7.018 5.307 -2.073 1.00 0.00 C ATOM 281 O GLY A 109 -7.276 6.271 -2.794 1.00 0.00 O ATOM 0 H GLY A 109 -8.170 4.478 -4.218 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -8.456 3.895 -1.356 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -7.097 3.173 -2.193 1.00 0.00 H new ATOM 285 N LYS A 110 -6.071 5.333 -1.142 1.00 0.00 N ATOM 286 CA LYS A 110 -5.263 6.523 -0.909 1.00 0.00 C ATOM 287 C LYS A 110 -3.817 6.152 -0.593 1.00 0.00 C ATOM 288 O LYS A 110 -2.891 6.804 -1.071 1.00 0.00 O ATOM 289 CB LYS A 110 -5.855 7.352 0.234 1.00 0.00 C ATOM 290 CG LYS A 110 -7.294 7.781 -0.012 1.00 0.00 C ATOM 291 CD LYS A 110 -7.834 8.629 1.130 1.00 0.00 C ATOM 292 CE LYS A 110 -7.098 9.954 1.243 1.00 0.00 C ATOM 293 NZ LYS A 110 -7.643 10.798 2.342 1.00 0.00 N ATOM 0 H LYS A 110 -5.844 4.544 -0.537 1.00 0.00 H new ATOM 0 HA LYS A 110 -5.270 7.119 -1.822 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -5.809 6.771 1.155 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -5.240 8.239 0.386 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -7.351 8.346 -0.943 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -7.920 6.898 -0.137 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -8.897 8.815 0.974 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -7.741 8.080 2.067 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -6.039 9.767 1.419 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -7.174 10.493 0.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -7.115 11.693 2.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -8.648 10.997 2.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -7.548 10.294 3.247 1.00 0.00 H new ATOM 307 N VAL A 111 -3.648 5.098 0.216 1.00 0.00 N ATOM 308 CA VAL A 111 -2.336 4.590 0.628 1.00 0.00 C ATOM 309 C VAL A 111 -1.424 5.682 1.187 1.00 0.00 C ATOM 310 O VAL A 111 -1.295 6.765 0.619 1.00 0.00 O ATOM 311 CB VAL A 111 -1.627 3.812 -0.501 1.00 0.00 C ATOM 312 CG1 VAL A 111 -1.383 4.669 -1.730 1.00 0.00 C ATOM 313 CG2 VAL A 111 -0.320 3.223 0.003 1.00 0.00 C ATOM 0 H VAL A 111 -4.428 4.569 0.606 1.00 0.00 H new ATOM 0 HA VAL A 111 -2.538 3.891 1.440 1.00 0.00 H new ATOM 0 HB VAL A 111 -2.293 3.004 -0.802 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -0.882 4.075 -2.494 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -2.336 5.029 -2.117 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -0.755 5.519 -1.462 1.00 0.00 H new ATOM 0 HG21 VAL A 111 0.168 2.677 -0.804 1.00 0.00 H new ATOM 0 HG22 VAL A 111 0.333 4.026 0.345 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -0.523 2.543 0.830 1.00 0.00 H new ATOM 323 N PHE A 112 -0.795 5.384 2.321 1.00 0.00 N ATOM 324 CA PHE A 112 0.099 6.333 2.974 1.00 0.00 C ATOM 325 C PHE A 112 1.549 5.859 2.924 1.00 0.00 C ATOM 326 O PHE A 112 1.887 4.930 2.190 1.00 0.00 O ATOM 327 CB PHE A 112 -0.327 6.543 4.431 1.00 0.00 C ATOM 328 CG PHE A 112 -1.708 7.120 4.589 1.00 0.00 C ATOM 329 CD1 PHE A 112 -2.821 6.434 4.124 1.00 0.00 C ATOM 330 CD2 PHE A 112 -1.892 8.345 5.209 1.00 0.00 C ATOM 331 CE1 PHE A 112 -4.089 6.961 4.273 1.00 0.00 C ATOM 332 CE2 PHE A 112 -3.159 8.876 5.362 1.00 0.00 C ATOM 333 CZ PHE A 112 -4.259 8.183 4.893 1.00 0.00 C ATOM 0 H PHE A 112 -0.889 4.492 2.806 1.00 0.00 H new ATOM 0 HA PHE A 112 0.031 7.278 2.435 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -0.282 5.587 4.953 1.00 0.00 H new ATOM 0 HB3 PHE A 112 0.390 7.205 4.916 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -2.694 5.477 3.640 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -1.036 8.891 5.577 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -4.947 6.418 3.905 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -3.289 9.832 5.848 1.00 0.00 H new ATOM 0 HZ PHE A 112 -5.250 8.597 5.011 1.00 0.00 H new ATOM 343 N LEU A 113 2.397 6.510 3.715 1.00 0.00 N ATOM 344 CA LEU A 113 3.817 6.175 3.775 1.00 0.00 C ATOM 345 C LEU A 113 4.503 6.973 4.882 1.00 0.00 C ATOM 346 O LEU A 113 4.192 8.144 5.097 1.00 0.00 O ATOM 347 CB LEU A 113 4.480 6.452 2.418 1.00 0.00 C ATOM 348 CG LEU A 113 5.961 6.065 2.302 1.00 0.00 C ATOM 349 CD1 LEU A 113 6.356 5.927 0.841 1.00 0.00 C ATOM 350 CD2 LEU A 113 6.847 7.097 2.983 1.00 0.00 C ATOM 0 H LEU A 113 2.123 7.278 4.328 1.00 0.00 H new ATOM 0 HA LEU A 113 3.921 5.114 4.003 1.00 0.00 H new ATOM 0 HB2 LEU A 113 3.924 5.917 1.648 1.00 0.00 H new ATOM 0 HB3 LEU A 113 4.385 7.516 2.200 1.00 0.00 H new ATOM 0 HG LEU A 113 6.101 5.107 2.802 1.00 0.00 H new ATOM 0 HD11 LEU A 113 7.409 5.652 0.773 1.00 0.00 H new ATOM 0 HD12 LEU A 113 5.748 5.154 0.371 1.00 0.00 H new ATOM 0 HD13 LEU A 113 6.195 6.876 0.329 1.00 0.00 H new ATOM 0 HD21 LEU A 113 7.891 6.800 2.887 1.00 0.00 H new ATOM 0 HD22 LEU A 113 6.701 8.069 2.512 1.00 0.00 H new ATOM 0 HD23 LEU A 113 6.584 7.162 4.039 1.00 0.00 H new ATOM 362 N THR A 114 5.432 6.330 5.585 1.00 0.00 N ATOM 363 CA THR A 114 6.154 6.980 6.672 1.00 0.00 C ATOM 364 C THR A 114 7.522 6.337 6.887 1.00 0.00 C ATOM 365 O THR A 114 7.688 5.130 6.703 1.00 0.00 O ATOM 366 CB THR A 114 5.356 6.925 7.990 1.00 0.00 C ATOM 367 OG1 THR A 114 4.077 7.544 7.813 1.00 0.00 O ATOM 368 CG2 THR A 114 6.109 7.624 9.113 1.00 0.00 C ATOM 0 H THR A 114 5.701 5.360 5.420 1.00 0.00 H new ATOM 0 HA THR A 114 6.289 8.022 6.383 1.00 0.00 H new ATOM 0 HB THR A 114 5.222 5.878 8.262 1.00 0.00 H new ATOM 0 HG1 THR A 114 3.575 7.504 8.654 1.00 0.00 H new ATOM 0 HG21 THR A 114 5.524 7.571 10.031 1.00 0.00 H new ATOM 0 HG22 THR A 114 7.071 7.134 9.266 1.00 0.00 H new ATOM 0 HG23 THR A 114 6.272 8.668 8.847 1.00 0.00 H new ATOM 376 N GLY A 115 8.498 7.155 7.271 1.00 0.00 N ATOM 377 CA GLY A 115 9.843 6.655 7.497 1.00 0.00 C ATOM 378 C GLY A 115 10.581 6.395 6.200 1.00 0.00 C ATOM 379 O GLY A 115 11.242 5.368 6.046 1.00 0.00 O ATOM 0 H GLY A 115 8.381 8.156 7.430 1.00 0.00 H new ATOM 0 HA2 GLY A 115 10.402 7.377 8.093 1.00 0.00 H new ATOM 0 HA3 GLY A 115 9.794 5.733 8.076 1.00 0.00 H new ATOM 383 N GLY A 116 10.463 7.332 5.265 1.00 0.00 N ATOM 384 CA GLY A 116 11.123 7.194 3.981 1.00 0.00 C ATOM 385 C GLY A 116 10.742 8.304 3.023 1.00 0.00 C ATOM 386 O GLY A 116 9.584 8.719 2.975 1.00 0.00 O ATOM 0 H GLY A 116 9.919 8.188 5.375 1.00 0.00 H new ATOM 0 HA2 GLY A 116 12.203 7.196 4.127 1.00 0.00 H new ATOM 0 HA3 GLY A 116 10.863 6.231 3.542 1.00 0.00 H new ATOM 390 N ASP A 117 11.714 8.789 2.257 1.00 0.00 N ATOM 391 CA ASP A 117 11.467 9.858 1.300 1.00 0.00 C ATOM 392 C ASP A 117 12.640 9.987 0.341 1.00 0.00 C ATOM 393 O ASP A 117 13.793 10.060 0.764 1.00 0.00 O ATOM 394 CB ASP A 117 11.237 11.183 2.032 1.00 0.00 C ATOM 395 CG ASP A 117 10.853 12.310 1.092 1.00 0.00 C ATOM 396 OD1 ASP A 117 11.659 12.638 0.196 1.00 0.00 O ATOM 397 OD2 ASP A 117 9.746 12.865 1.253 1.00 0.00 O ATOM 0 H ASP A 117 12.679 8.458 2.281 1.00 0.00 H new ATOM 0 HA ASP A 117 10.572 9.613 0.729 1.00 0.00 H new ATOM 0 HB2 ASP A 117 10.451 11.051 2.776 1.00 0.00 H new ATOM 0 HB3 ASP A 117 12.143 11.458 2.572 1.00 0.00 H new ATOM 402 N LEU A 118 12.337 10.011 -0.952 1.00 0.00 N ATOM 403 CA LEU A 118 13.366 10.125 -1.978 1.00 0.00 C ATOM 404 C LEU A 118 14.283 11.313 -1.697 1.00 0.00 C ATOM 405 O LEU A 118 13.813 12.399 -1.362 1.00 0.00 O ATOM 406 CB LEU A 118 12.731 10.279 -3.368 1.00 0.00 C ATOM 407 CG LEU A 118 11.962 9.059 -3.891 1.00 0.00 C ATOM 408 CD1 LEU A 118 10.748 8.764 -3.023 1.00 0.00 C ATOM 409 CD2 LEU A 118 11.532 9.288 -5.332 1.00 0.00 C ATOM 0 H LEU A 118 11.385 9.953 -1.315 1.00 0.00 H new ATOM 0 HA LEU A 118 13.959 9.211 -1.959 1.00 0.00 H new ATOM 0 HB2 LEU A 118 12.051 11.130 -3.343 1.00 0.00 H new ATOM 0 HB3 LEU A 118 13.519 10.521 -4.081 1.00 0.00 H new ATOM 0 HG LEU A 118 12.627 8.196 -3.850 1.00 0.00 H new ATOM 0 HD11 LEU A 118 10.222 7.895 -3.417 1.00 0.00 H new ATOM 0 HD12 LEU A 118 11.071 8.561 -2.002 1.00 0.00 H new ATOM 0 HD13 LEU A 118 10.080 9.625 -3.027 1.00 0.00 H new ATOM 0 HD21 LEU A 118 10.987 8.415 -5.692 1.00 0.00 H new ATOM 0 HD22 LEU A 118 10.887 10.165 -5.384 1.00 0.00 H new ATOM 0 HD23 LEU A 118 12.413 9.448 -5.954 1.00 0.00 H new ATOM 421 N PRO A 119 15.610 11.126 -1.826 1.00 0.00 N ATOM 422 CA PRO A 119 16.224 9.861 -2.220 1.00 0.00 C ATOM 423 C PRO A 119 16.650 9.004 -1.026 1.00 0.00 C ATOM 424 O PRO A 119 17.839 8.740 -0.843 1.00 0.00 O ATOM 425 CB PRO A 119 17.448 10.344 -2.987 1.00 0.00 C ATOM 426 CG PRO A 119 17.870 11.591 -2.273 1.00 0.00 C ATOM 427 CD PRO A 119 16.635 12.156 -1.600 1.00 0.00 C ATOM 0 HA PRO A 119 15.544 9.220 -2.782 1.00 0.00 H new ATOM 0 HB2 PRO A 119 18.241 9.596 -2.981 1.00 0.00 H new ATOM 0 HB3 PRO A 119 17.208 10.546 -4.031 1.00 0.00 H new ATOM 0 HG2 PRO A 119 18.644 11.371 -1.537 1.00 0.00 H new ATOM 0 HG3 PRO A 119 18.292 12.312 -2.973 1.00 0.00 H new ATOM 0 HD2 PRO A 119 16.802 12.328 -0.537 1.00 0.00 H new ATOM 0 HD3 PRO A 119 16.344 13.112 -2.035 1.00 0.00 H new ATOM 435 N ALA A 120 15.689 8.573 -0.210 1.00 0.00 N ATOM 436 CA ALA A 120 16.005 7.758 0.957 1.00 0.00 C ATOM 437 C ALA A 120 14.871 6.797 1.297 1.00 0.00 C ATOM 438 O ALA A 120 13.704 7.183 1.326 1.00 0.00 O ATOM 439 CB ALA A 120 16.312 8.650 2.150 1.00 0.00 C ATOM 0 H ALA A 120 14.697 8.773 -0.335 1.00 0.00 H new ATOM 0 HA ALA A 120 16.885 7.161 0.717 1.00 0.00 H new ATOM 0 HB1 ALA A 120 16.547 8.031 3.016 1.00 0.00 H new ATOM 0 HB2 ALA A 120 17.165 9.288 1.918 1.00 0.00 H new ATOM 0 HB3 ALA A 120 15.445 9.271 2.372 1.00 0.00 H new ATOM 445 N LEU A 121 15.228 5.543 1.558 1.00 0.00 N ATOM 446 CA LEU A 121 14.246 4.523 1.905 1.00 0.00 C ATOM 447 C LEU A 121 14.247 4.259 3.407 1.00 0.00 C ATOM 448 O LEU A 121 13.189 4.177 4.030 1.00 0.00 O ATOM 449 CB LEU A 121 14.528 3.226 1.145 1.00 0.00 C ATOM 450 CG LEU A 121 14.388 3.319 -0.377 1.00 0.00 C ATOM 451 CD1 LEU A 121 14.703 1.978 -1.023 1.00 0.00 C ATOM 452 CD2 LEU A 121 12.990 3.781 -0.759 1.00 0.00 C ATOM 0 H LEU A 121 16.192 5.209 1.536 1.00 0.00 H new ATOM 0 HA LEU A 121 13.261 4.892 1.618 1.00 0.00 H new ATOM 0 HB2 LEU A 121 15.540 2.898 1.381 1.00 0.00 H new ATOM 0 HB3 LEU A 121 13.849 2.455 1.510 1.00 0.00 H new ATOM 0 HG LEU A 121 15.103 4.055 -0.744 1.00 0.00 H new ATOM 0 HD11 LEU A 121 14.599 2.062 -2.105 1.00 0.00 H new ATOM 0 HD12 LEU A 121 15.725 1.687 -0.778 1.00 0.00 H new ATOM 0 HD13 LEU A 121 14.012 1.223 -0.649 1.00 0.00 H new ATOM 0 HD21 LEU A 121 12.910 3.841 -1.844 1.00 0.00 H new ATOM 0 HD22 LEU A 121 12.256 3.070 -0.380 1.00 0.00 H new ATOM 0 HD23 LEU A 121 12.801 4.764 -0.327 1.00 0.00 H new ATOM 464 N ASP A 122 15.446 4.133 3.979 1.00 0.00 N ATOM 465 CA ASP A 122 15.612 3.880 5.409 1.00 0.00 C ATOM 466 C ASP A 122 14.522 2.955 5.944 1.00 0.00 C ATOM 467 O ASP A 122 13.906 3.233 6.973 1.00 0.00 O ATOM 468 CB ASP A 122 15.629 5.196 6.194 1.00 0.00 C ATOM 469 CG ASP A 122 14.328 5.972 6.089 1.00 0.00 C ATOM 470 OD1 ASP A 122 14.012 6.460 4.984 1.00 0.00 O ATOM 471 OD2 ASP A 122 13.625 6.091 7.115 1.00 0.00 O ATOM 0 H ASP A 122 16.325 4.203 3.466 1.00 0.00 H new ATOM 0 HA ASP A 122 16.571 3.380 5.545 1.00 0.00 H new ATOM 0 HB2 ASP A 122 15.834 4.983 7.243 1.00 0.00 H new ATOM 0 HB3 ASP A 122 16.446 5.818 5.830 1.00 0.00 H new ATOM 476 N GLY A 123 14.289 1.854 5.235 1.00 0.00 N ATOM 477 CA GLY A 123 13.273 0.905 5.650 1.00 0.00 C ATOM 478 C GLY A 123 11.884 1.510 5.643 1.00 0.00 C ATOM 479 O GLY A 123 11.119 1.339 6.593 1.00 0.00 O ATOM 0 H GLY A 123 14.786 1.603 4.381 1.00 0.00 H new ATOM 0 HA2 GLY A 123 13.294 0.041 4.986 1.00 0.00 H new ATOM 0 HA3 GLY A 123 13.504 0.543 6.652 1.00 0.00 H new ATOM 483 N ALA A 124 11.560 2.222 4.568 1.00 0.00 N ATOM 484 CA ALA A 124 10.258 2.863 4.433 1.00 0.00 C ATOM 485 C ALA A 124 9.131 1.841 4.523 1.00 0.00 C ATOM 486 O ALA A 124 9.213 0.760 3.940 1.00 0.00 O ATOM 487 CB ALA A 124 10.178 3.623 3.118 1.00 0.00 C ATOM 0 H ALA A 124 12.185 2.369 3.775 1.00 0.00 H new ATOM 0 HA ALA A 124 10.141 3.568 5.256 1.00 0.00 H new ATOM 0 HB1 ALA A 124 9.200 4.097 3.030 1.00 0.00 H new ATOM 0 HB2 ALA A 124 10.955 4.387 3.091 1.00 0.00 H new ATOM 0 HB3 ALA A 124 10.321 2.931 2.288 1.00 0.00 H new ATOM 493 N ARG A 125 8.081 2.189 5.258 1.00 0.00 N ATOM 494 CA ARG A 125 6.940 1.299 5.425 1.00 0.00 C ATOM 495 C ARG A 125 5.669 1.934 4.868 1.00 0.00 C ATOM 496 O ARG A 125 5.239 2.992 5.327 1.00 0.00 O ATOM 497 CB ARG A 125 6.757 0.959 6.906 1.00 0.00 C ATOM 498 CG ARG A 125 5.614 -0.002 7.179 1.00 0.00 C ATOM 499 CD ARG A 125 5.513 -0.338 8.658 1.00 0.00 C ATOM 500 NE ARG A 125 6.726 -0.978 9.159 1.00 0.00 N ATOM 501 CZ ARG A 125 6.869 -1.411 10.409 1.00 0.00 C ATOM 502 NH1 ARG A 125 5.876 -1.279 11.278 1.00 0.00 N ATOM 503 NH2 ARG A 125 8.007 -1.978 10.789 1.00 0.00 N ATOM 0 H ARG A 125 7.997 3.080 5.747 1.00 0.00 H new ATOM 0 HA ARG A 125 7.133 0.382 4.869 1.00 0.00 H new ATOM 0 HB2 ARG A 125 7.682 0.526 7.286 1.00 0.00 H new ATOM 0 HB3 ARG A 125 6.585 1.881 7.462 1.00 0.00 H new ATOM 0 HG2 ARG A 125 4.677 0.439 6.840 1.00 0.00 H new ATOM 0 HG3 ARG A 125 5.761 -0.917 6.606 1.00 0.00 H new ATOM 0 HD2 ARG A 125 5.324 0.574 9.225 1.00 0.00 H new ATOM 0 HD3 ARG A 125 4.661 -0.998 8.822 1.00 0.00 H new ATOM 0 HE ARG A 125 7.507 -1.100 8.515 1.00 0.00 H new ATOM 0 HH11 ARG A 125 5.000 -0.845 10.989 1.00 0.00 H new ATOM 0 HH12 ARG A 125 5.989 -1.612 12.236 1.00 0.00 H new ATOM 0 HH21 ARG A 125 8.772 -2.082 10.123 1.00 0.00 H new ATOM 0 HH22 ARG A 125 8.116 -2.310 11.747 1.00 0.00 H new ATOM 517 N VAL A 126 5.073 1.278 3.875 1.00 0.00 N ATOM 518 CA VAL A 126 3.851 1.774 3.252 1.00 0.00 C ATOM 519 C VAL A 126 2.620 1.338 4.038 1.00 0.00 C ATOM 520 O VAL A 126 2.613 0.273 4.659 1.00 0.00 O ATOM 521 CB VAL A 126 3.721 1.288 1.797 1.00 0.00 C ATOM 522 CG1 VAL A 126 3.539 -0.219 1.753 1.00 0.00 C ATOM 523 CG2 VAL A 126 2.565 1.988 1.100 1.00 0.00 C ATOM 0 H VAL A 126 5.418 0.401 3.485 1.00 0.00 H new ATOM 0 HA VAL A 126 3.914 2.862 3.255 1.00 0.00 H new ATOM 0 HB VAL A 126 4.641 1.538 1.268 1.00 0.00 H new ATOM 0 HG11 VAL A 126 3.449 -0.544 0.717 1.00 0.00 H new ATOM 0 HG12 VAL A 126 4.401 -0.703 2.212 1.00 0.00 H new ATOM 0 HG13 VAL A 126 2.636 -0.493 2.299 1.00 0.00 H new ATOM 0 HG21 VAL A 126 2.490 1.631 0.073 1.00 0.00 H new ATOM 0 HG22 VAL A 126 1.637 1.771 1.629 1.00 0.00 H new ATOM 0 HG23 VAL A 126 2.739 3.064 1.098 1.00 0.00 H new ATOM 533 N GLU A 127 1.582 2.170 4.010 1.00 0.00 N ATOM 534 CA GLU A 127 0.345 1.874 4.727 1.00 0.00 C ATOM 535 C GLU A 127 -0.878 2.122 3.846 1.00 0.00 C ATOM 536 O GLU A 127 -1.569 3.129 4.001 1.00 0.00 O ATOM 537 CB GLU A 127 0.258 2.730 5.991 1.00 0.00 C ATOM 538 CG GLU A 127 1.379 2.466 6.981 1.00 0.00 C ATOM 539 CD GLU A 127 1.279 3.336 8.219 1.00 0.00 C ATOM 540 OE1 GLU A 127 1.309 4.576 8.077 1.00 0.00 O ATOM 541 OE2 GLU A 127 1.174 2.776 9.331 1.00 0.00 O ATOM 0 H GLU A 127 1.573 3.053 3.499 1.00 0.00 H new ATOM 0 HA GLU A 127 0.357 0.819 5.002 1.00 0.00 H new ATOM 0 HB2 GLU A 127 0.274 3.783 5.709 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -0.699 2.545 6.480 1.00 0.00 H new ATOM 0 HG2 GLU A 127 1.359 1.417 7.276 1.00 0.00 H new ATOM 0 HG3 GLU A 127 2.338 2.642 6.494 1.00 0.00 H new ATOM 548 N PHE A 128 -1.145 1.197 2.925 1.00 0.00 N ATOM 549 CA PHE A 128 -2.289 1.323 2.027 1.00 0.00 C ATOM 550 C PHE A 128 -3.579 1.534 2.810 1.00 0.00 C ATOM 551 O PHE A 128 -3.704 1.093 3.954 1.00 0.00 O ATOM 552 CB PHE A 128 -2.431 0.089 1.132 1.00 0.00 C ATOM 553 CG PHE A 128 -1.288 -0.109 0.179 1.00 0.00 C ATOM 554 CD1 PHE A 128 -0.110 -0.701 0.602 1.00 0.00 C ATOM 555 CD2 PHE A 128 -1.392 0.300 -1.143 1.00 0.00 C ATOM 556 CE1 PHE A 128 0.943 -0.883 -0.275 1.00 0.00 C ATOM 557 CE2 PHE A 128 -0.343 0.120 -2.023 1.00 0.00 C ATOM 558 CZ PHE A 128 0.825 -0.474 -1.588 1.00 0.00 C ATOM 0 H PHE A 128 -0.586 0.356 2.782 1.00 0.00 H new ATOM 0 HA PHE A 128 -2.109 2.195 1.398 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -2.523 -0.796 1.762 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -3.356 0.171 0.562 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -0.013 -1.024 1.628 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -2.304 0.765 -1.488 1.00 0.00 H new ATOM 0 HE1 PHE A 128 1.857 -1.345 0.067 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -0.436 0.443 -3.049 1.00 0.00 H new ATOM 0 HZ PHE A 128 1.646 -0.619 -2.275 1.00 0.00 H new ATOM 568 N ARG A 129 -4.533 2.212 2.184 1.00 0.00 N ATOM 569 CA ARG A 129 -5.817 2.488 2.813 1.00 0.00 C ATOM 570 C ARG A 129 -6.886 2.751 1.759 1.00 0.00 C ATOM 571 O ARG A 129 -6.651 3.471 0.790 1.00 0.00 O ATOM 572 CB ARG A 129 -5.701 3.692 3.751 1.00 0.00 C ATOM 573 CG ARG A 129 -7.020 4.103 4.387 1.00 0.00 C ATOM 574 CD ARG A 129 -7.601 2.991 5.247 1.00 0.00 C ATOM 575 NE ARG A 129 -6.727 2.651 6.368 1.00 0.00 N ATOM 576 CZ ARG A 129 -6.437 3.489 7.359 1.00 0.00 C ATOM 577 NH1 ARG A 129 -6.965 4.706 7.383 1.00 0.00 N ATOM 578 NH2 ARG A 129 -5.623 3.107 8.334 1.00 0.00 N ATOM 0 H ARG A 129 -4.440 2.582 1.238 1.00 0.00 H new ATOM 0 HA ARG A 129 -6.108 1.613 3.394 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -4.985 3.459 4.539 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -5.298 4.538 3.194 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -6.868 4.993 4.997 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -7.733 4.370 3.607 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -8.575 3.298 5.627 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -7.764 2.105 4.633 1.00 0.00 H new ATOM 0 HE ARG A 129 -6.316 1.718 6.392 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -7.597 5.003 6.639 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -6.739 5.345 8.145 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -5.219 2.170 8.324 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -5.401 3.750 9.094 1.00 0.00 H new ATOM 592 N CYS A 130 -8.059 2.161 1.952 1.00 0.00 N ATOM 593 CA CYS A 130 -9.162 2.331 1.013 1.00 0.00 C ATOM 594 C CYS A 130 -10.012 3.543 1.389 1.00 0.00 C ATOM 595 O CYS A 130 -10.156 3.871 2.567 1.00 0.00 O ATOM 596 CB CYS A 130 -10.025 1.069 0.977 1.00 0.00 C ATOM 597 SG CYS A 130 -9.098 -0.454 0.595 1.00 0.00 S ATOM 0 H CYS A 130 -8.272 1.561 2.749 1.00 0.00 H new ATOM 0 HA CYS A 130 -8.744 2.501 0.021 1.00 0.00 H new ATOM 0 HB2 CYS A 130 -10.517 0.950 1.942 1.00 0.00 H new ATOM 0 HB3 CYS A 130 -10.811 1.200 0.233 1.00 0.00 H new ATOM 602 N ASP A 131 -10.561 4.213 0.376 1.00 0.00 N ATOM 603 CA ASP A 131 -11.388 5.400 0.592 1.00 0.00 C ATOM 604 C ASP A 131 -12.510 5.126 1.592 1.00 0.00 C ATOM 605 O ASP A 131 -12.930 3.983 1.765 1.00 0.00 O ATOM 606 CB ASP A 131 -11.980 5.883 -0.734 1.00 0.00 C ATOM 607 CG ASP A 131 -10.915 6.342 -1.710 1.00 0.00 C ATOM 608 OD1 ASP A 131 -10.135 7.250 -1.354 1.00 0.00 O ATOM 609 OD2 ASP A 131 -10.865 5.798 -2.833 1.00 0.00 O ATOM 0 H ASP A 131 -10.448 3.953 -0.604 1.00 0.00 H new ATOM 0 HA ASP A 131 -10.747 6.178 1.006 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -12.559 5.077 -1.185 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -12.671 6.704 -0.542 1.00 0.00 H new ATOM 614 N PRO A 132 -13.001 6.184 2.273 1.00 0.00 N ATOM 615 CA PRO A 132 -14.076 6.078 3.274 1.00 0.00 C ATOM 616 C PRO A 132 -15.362 5.475 2.709 1.00 0.00 C ATOM 617 O PRO A 132 -16.353 6.178 2.499 1.00 0.00 O ATOM 618 CB PRO A 132 -14.316 7.528 3.715 1.00 0.00 C ATOM 619 CG PRO A 132 -13.697 8.368 2.651 1.00 0.00 C ATOM 620 CD PRO A 132 -12.540 7.575 2.124 1.00 0.00 C ATOM 0 HA PRO A 132 -13.790 5.413 4.088 1.00 0.00 H new ATOM 0 HB2 PRO A 132 -15.381 7.739 3.813 1.00 0.00 H new ATOM 0 HB3 PRO A 132 -13.861 7.725 4.686 1.00 0.00 H new ATOM 0 HG2 PRO A 132 -14.414 8.587 1.859 1.00 0.00 H new ATOM 0 HG3 PRO A 132 -13.364 9.325 3.053 1.00 0.00 H new ATOM 0 HD2 PRO A 132 -12.322 7.820 1.084 1.00 0.00 H new ATOM 0 HD3 PRO A 132 -11.629 7.762 2.693 1.00 0.00 H new ATOM 628 N ASP A 133 -15.333 4.169 2.476 1.00 0.00 N ATOM 629 CA ASP A 133 -16.476 3.436 1.945 1.00 0.00 C ATOM 630 C ASP A 133 -16.094 1.973 1.771 1.00 0.00 C ATOM 631 O ASP A 133 -16.888 1.070 2.039 1.00 0.00 O ATOM 632 CB ASP A 133 -16.937 4.024 0.610 1.00 0.00 C ATOM 633 CG ASP A 133 -18.225 3.393 0.118 1.00 0.00 C ATOM 634 OD1 ASP A 133 -19.239 3.473 0.842 1.00 0.00 O ATOM 635 OD2 ASP A 133 -18.221 2.819 -0.991 1.00 0.00 O ATOM 0 H ASP A 133 -14.514 3.586 2.650 1.00 0.00 H new ATOM 0 HA ASP A 133 -17.305 3.520 2.648 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -17.080 5.099 0.719 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -16.156 3.880 -0.137 1.00 0.00 H new ATOM 640 N PHE A 134 -14.855 1.757 1.343 1.00 0.00 N ATOM 641 CA PHE A 134 -14.324 0.415 1.152 1.00 0.00 C ATOM 642 C PHE A 134 -13.304 0.111 2.242 1.00 0.00 C ATOM 643 O PHE A 134 -12.502 0.972 2.602 1.00 0.00 O ATOM 644 CB PHE A 134 -13.652 0.278 -0.220 1.00 0.00 C ATOM 645 CG PHE A 134 -14.558 0.532 -1.392 1.00 0.00 C ATOM 646 CD1 PHE A 134 -15.137 1.776 -1.588 1.00 0.00 C ATOM 647 CD2 PHE A 134 -14.825 -0.477 -2.305 1.00 0.00 C ATOM 648 CE1 PHE A 134 -15.963 2.009 -2.671 1.00 0.00 C ATOM 649 CE2 PHE A 134 -15.651 -0.250 -3.388 1.00 0.00 C ATOM 650 CZ PHE A 134 -16.221 0.994 -3.573 1.00 0.00 C ATOM 0 H PHE A 134 -14.195 2.503 1.120 1.00 0.00 H new ATOM 0 HA PHE A 134 -15.153 -0.291 1.205 1.00 0.00 H new ATOM 0 HB2 PHE A 134 -12.813 0.972 -0.269 1.00 0.00 H new ATOM 0 HB3 PHE A 134 -13.239 -0.727 -0.308 1.00 0.00 H new ATOM 0 HD1 PHE A 134 -14.940 2.573 -0.886 1.00 0.00 H new ATOM 0 HD2 PHE A 134 -14.382 -1.452 -2.167 1.00 0.00 H new ATOM 0 HE1 PHE A 134 -16.407 2.983 -2.813 1.00 0.00 H new ATOM 0 HE2 PHE A 134 -15.851 -1.046 -4.090 1.00 0.00 H new ATOM 0 HZ PHE A 134 -16.867 1.173 -4.420 1.00 0.00 H new ATOM 660 N HIS A 135 -13.330 -1.107 2.766 1.00 0.00 N ATOM 661 CA HIS A 135 -12.393 -1.493 3.811 1.00 0.00 C ATOM 662 C HIS A 135 -11.271 -2.354 3.241 1.00 0.00 C ATOM 663 O HIS A 135 -11.515 -3.300 2.489 1.00 0.00 O ATOM 664 CB HIS A 135 -13.111 -2.230 4.944 1.00 0.00 C ATOM 665 CG HIS A 135 -13.966 -3.371 4.487 1.00 0.00 C ATOM 666 ND1 HIS A 135 -15.076 -3.205 3.685 1.00 0.00 N ATOM 667 CD2 HIS A 135 -13.874 -4.700 4.729 1.00 0.00 C ATOM 668 CE1 HIS A 135 -15.630 -4.383 3.456 1.00 0.00 C ATOM 669 NE2 HIS A 135 -14.920 -5.305 4.077 1.00 0.00 N ATOM 0 H HIS A 135 -13.984 -1.839 2.487 1.00 0.00 H new ATOM 0 HA HIS A 135 -11.954 -0.583 4.220 1.00 0.00 H new ATOM 0 HB2 HIS A 135 -12.367 -2.606 5.647 1.00 0.00 H new ATOM 0 HB3 HIS A 135 -13.733 -1.519 5.488 1.00 0.00 H new ATOM 0 HD2 HIS A 135 -13.119 -5.192 5.324 1.00 0.00 H new ATOM 0 HE1 HIS A 135 -16.514 -4.560 2.861 1.00 0.00 H new ATOM 0 HE2 HIS A 135 -15.116 -6.306 4.073 1.00 0.00 H new ATOM 678 N LEU A 136 -10.038 -2.004 3.600 1.00 0.00 N ATOM 679 CA LEU A 136 -8.865 -2.730 3.131 1.00 0.00 C ATOM 680 C LEU A 136 -8.739 -4.060 3.869 1.00 0.00 C ATOM 681 O LEU A 136 -8.778 -4.104 5.098 1.00 0.00 O ATOM 682 CB LEU A 136 -7.609 -1.871 3.335 1.00 0.00 C ATOM 683 CG LEU A 136 -6.345 -2.352 2.615 1.00 0.00 C ATOM 684 CD1 LEU A 136 -5.268 -1.281 2.669 1.00 0.00 C ATOM 685 CD2 LEU A 136 -5.830 -3.643 3.229 1.00 0.00 C ATOM 0 H LEU A 136 -9.827 -1.219 4.216 1.00 0.00 H new ATOM 0 HA LEU A 136 -8.973 -2.941 2.067 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -7.829 -0.856 3.003 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -7.398 -1.819 4.403 1.00 0.00 H new ATOM 0 HG LEU A 136 -6.600 -2.546 1.573 1.00 0.00 H new ATOM 0 HD11 LEU A 136 -4.376 -1.636 2.154 1.00 0.00 H new ATOM 0 HD12 LEU A 136 -5.631 -0.375 2.184 1.00 0.00 H new ATOM 0 HD13 LEU A 136 -5.024 -1.063 3.709 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -4.932 -3.964 2.701 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -5.593 -3.477 4.280 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -6.595 -4.415 3.147 1.00 0.00 H new ATOM 697 N VAL A 137 -8.602 -5.142 3.109 1.00 0.00 N ATOM 698 CA VAL A 137 -8.487 -6.475 3.691 1.00 0.00 C ATOM 699 C VAL A 137 -7.324 -7.253 3.081 1.00 0.00 C ATOM 700 O VAL A 137 -7.530 -8.266 2.411 1.00 0.00 O ATOM 701 CB VAL A 137 -9.788 -7.280 3.494 1.00 0.00 C ATOM 702 CG1 VAL A 137 -9.733 -8.592 4.264 1.00 0.00 C ATOM 703 CG2 VAL A 137 -10.996 -6.456 3.914 1.00 0.00 C ATOM 0 H VAL A 137 -8.568 -5.122 2.090 1.00 0.00 H new ATOM 0 HA VAL A 137 -8.303 -6.339 4.757 1.00 0.00 H new ATOM 0 HB VAL A 137 -9.888 -7.515 2.434 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -10.661 -9.143 4.111 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -8.893 -9.188 3.907 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -9.605 -8.385 5.327 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -11.904 -7.041 3.768 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -10.904 -6.186 4.966 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -11.047 -5.550 3.310 1.00 0.00 H new ATOM 713 N GLY A 138 -6.099 -6.783 3.304 1.00 0.00 N ATOM 714 CA GLY A 138 -4.948 -7.471 2.753 1.00 0.00 C ATOM 715 C GLY A 138 -3.629 -6.823 3.122 1.00 0.00 C ATOM 716 O GLY A 138 -3.364 -6.563 4.294 1.00 0.00 O ATOM 0 H GLY A 138 -5.886 -5.948 3.850 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -4.948 -8.503 3.103 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -5.038 -7.503 1.667 1.00 0.00 H new ATOM 720 N SER A 139 -2.800 -6.582 2.110 1.00 0.00 N ATOM 721 CA SER A 139 -1.488 -5.973 2.297 1.00 0.00 C ATOM 722 C SER A 139 -1.594 -4.494 2.660 1.00 0.00 C ATOM 723 O SER A 139 -1.033 -3.635 1.978 1.00 0.00 O ATOM 724 CB SER A 139 -0.652 -6.137 1.029 1.00 0.00 C ATOM 725 OG SER A 139 0.577 -5.442 1.132 1.00 0.00 O ATOM 0 H SER A 139 -3.019 -6.803 1.139 1.00 0.00 H new ATOM 0 HA SER A 139 -1.002 -6.485 3.128 1.00 0.00 H new ATOM 0 HB2 SER A 139 -0.460 -7.195 0.851 1.00 0.00 H new ATOM 0 HB3 SER A 139 -1.212 -5.766 0.171 1.00 0.00 H new ATOM 0 HG SER A 139 0.404 -4.500 1.338 1.00 0.00 H new ATOM 731 N SER A 140 -2.304 -4.202 3.742 1.00 0.00 N ATOM 732 CA SER A 140 -2.468 -2.831 4.201 1.00 0.00 C ATOM 733 C SER A 140 -1.109 -2.227 4.539 1.00 0.00 C ATOM 734 O SER A 140 -0.965 -1.009 4.657 1.00 0.00 O ATOM 735 CB SER A 140 -3.385 -2.793 5.425 1.00 0.00 C ATOM 736 OG SER A 140 -3.636 -1.460 5.835 1.00 0.00 O ATOM 0 H SER A 140 -2.776 -4.899 4.318 1.00 0.00 H new ATOM 0 HA SER A 140 -2.924 -2.243 3.405 1.00 0.00 H new ATOM 0 HB2 SER A 140 -4.328 -3.288 5.192 1.00 0.00 H new ATOM 0 HB3 SER A 140 -2.927 -3.348 6.244 1.00 0.00 H new ATOM 0 HG SER A 140 -4.226 -1.464 6.618 1.00 0.00 H new ATOM 742 N ARG A 141 -0.115 -3.098 4.696 1.00 0.00 N ATOM 743 CA ARG A 141 1.241 -2.679 5.027 1.00 0.00 C ATOM 744 C ARG A 141 2.271 -3.504 4.254 1.00 0.00 C ATOM 745 O ARG A 141 2.110 -4.714 4.087 1.00 0.00 O ATOM 746 CB ARG A 141 1.476 -2.828 6.532 1.00 0.00 C ATOM 747 CG ARG A 141 2.883 -2.466 6.975 1.00 0.00 C ATOM 748 CD ARG A 141 3.071 -2.701 8.465 1.00 0.00 C ATOM 749 NE ARG A 141 2.164 -1.885 9.268 1.00 0.00 N ATOM 750 CZ ARG A 141 2.126 -1.912 10.597 1.00 0.00 C ATOM 751 NH1 ARG A 141 2.939 -2.715 11.271 1.00 0.00 N ATOM 752 NH2 ARG A 141 1.276 -1.135 11.255 1.00 0.00 N ATOM 0 H ARG A 141 -0.227 -4.107 4.598 1.00 0.00 H new ATOM 0 HA ARG A 141 1.358 -1.633 4.743 1.00 0.00 H new ATOM 0 HB2 ARG A 141 0.764 -2.197 7.065 1.00 0.00 H new ATOM 0 HB3 ARG A 141 1.268 -3.858 6.822 1.00 0.00 H new ATOM 0 HG2 ARG A 141 3.606 -3.060 6.417 1.00 0.00 H new ATOM 0 HG3 ARG A 141 3.082 -1.420 6.742 1.00 0.00 H new ATOM 0 HD2 ARG A 141 2.905 -3.755 8.689 1.00 0.00 H new ATOM 0 HD3 ARG A 141 4.101 -2.475 8.740 1.00 0.00 H new ATOM 0 HE ARG A 141 1.523 -1.258 8.781 1.00 0.00 H new ATOM 0 HH11 ARG A 141 3.595 -3.314 10.770 1.00 0.00 H new ATOM 0 HH12 ARG A 141 2.908 -2.734 12.290 1.00 0.00 H new ATOM 0 HH21 ARG A 141 0.650 -0.515 10.742 1.00 0.00 H new ATOM 0 HH22 ARG A 141 1.249 -1.158 12.274 1.00 0.00 H new ATOM 766 N SER A 142 3.327 -2.842 3.789 1.00 0.00 N ATOM 767 CA SER A 142 4.389 -3.511 3.034 1.00 0.00 C ATOM 768 C SER A 142 5.726 -2.816 3.276 1.00 0.00 C ATOM 769 O SER A 142 5.863 -1.616 3.038 1.00 0.00 O ATOM 770 CB SER A 142 4.063 -3.505 1.540 1.00 0.00 C ATOM 771 OG SER A 142 2.804 -4.102 1.290 1.00 0.00 O ATOM 0 H SER A 142 3.473 -1.841 3.921 1.00 0.00 H new ATOM 0 HA SER A 142 4.459 -4.544 3.376 1.00 0.00 H new ATOM 0 HB2 SER A 142 4.063 -2.480 1.169 1.00 0.00 H new ATOM 0 HB3 SER A 142 4.838 -4.042 0.993 1.00 0.00 H new ATOM 0 HG SER A 142 2.836 -4.589 0.440 1.00 0.00 H new ATOM 777 N VAL A 143 6.707 -3.571 3.760 1.00 0.00 N ATOM 778 CA VAL A 143 8.026 -3.015 4.045 1.00 0.00 C ATOM 779 C VAL A 143 8.902 -2.967 2.795 1.00 0.00 C ATOM 780 O VAL A 143 9.010 -3.948 2.057 1.00 0.00 O ATOM 781 CB VAL A 143 8.750 -3.819 5.144 1.00 0.00 C ATOM 782 CG1 VAL A 143 8.980 -5.256 4.701 1.00 0.00 C ATOM 783 CG2 VAL A 143 10.067 -3.152 5.512 1.00 0.00 C ATOM 0 H VAL A 143 6.615 -4.566 3.963 1.00 0.00 H new ATOM 0 HA VAL A 143 7.863 -1.996 4.397 1.00 0.00 H new ATOM 0 HB VAL A 143 8.114 -3.837 6.029 1.00 0.00 H new ATOM 0 HG11 VAL A 143 9.492 -5.803 5.493 1.00 0.00 H new ATOM 0 HG12 VAL A 143 8.021 -5.731 4.493 1.00 0.00 H new ATOM 0 HG13 VAL A 143 9.592 -5.265 3.799 1.00 0.00 H new ATOM 0 HG21 VAL A 143 10.564 -3.733 6.289 1.00 0.00 H new ATOM 0 HG22 VAL A 143 10.707 -3.100 4.631 1.00 0.00 H new ATOM 0 HG23 VAL A 143 9.874 -2.144 5.880 1.00 0.00 H new ATOM 793 N CYS A 144 9.536 -1.820 2.572 1.00 0.00 N ATOM 794 CA CYS A 144 10.419 -1.636 1.424 1.00 0.00 C ATOM 795 C CYS A 144 11.816 -2.167 1.731 1.00 0.00 C ATOM 796 O CYS A 144 12.398 -1.843 2.766 1.00 0.00 O ATOM 797 CB CYS A 144 10.491 -0.155 1.046 1.00 0.00 C ATOM 798 SG CYS A 144 11.767 0.244 -0.195 1.00 0.00 S ATOM 0 H CYS A 144 9.454 -1.000 3.174 1.00 0.00 H new ATOM 0 HA CYS A 144 10.012 -2.197 0.583 1.00 0.00 H new ATOM 0 HB2 CYS A 144 9.519 0.158 0.664 1.00 0.00 H new ATOM 0 HB3 CYS A 144 10.682 0.429 1.947 1.00 0.00 H new ATOM 803 N SER A 145 12.349 -2.984 0.828 1.00 0.00 N ATOM 804 CA SER A 145 13.679 -3.556 1.011 1.00 0.00 C ATOM 805 C SER A 145 14.643 -3.026 -0.054 1.00 0.00 C ATOM 806 O SER A 145 14.609 -1.843 -0.393 1.00 0.00 O ATOM 807 CB SER A 145 13.602 -5.086 0.965 1.00 0.00 C ATOM 808 OG SER A 145 14.854 -5.673 1.273 1.00 0.00 O ATOM 0 H SER A 145 11.883 -3.264 -0.035 1.00 0.00 H new ATOM 0 HA SER A 145 14.060 -3.257 1.988 1.00 0.00 H new ATOM 0 HB2 SER A 145 12.850 -5.436 1.672 1.00 0.00 H new ATOM 0 HB3 SER A 145 13.281 -5.407 -0.026 1.00 0.00 H new ATOM 0 HG SER A 145 15.036 -6.404 0.646 1.00 0.00 H new ATOM 814 N GLN A 146 15.498 -3.900 -0.579 1.00 0.00 N ATOM 815 CA GLN A 146 16.462 -3.506 -1.602 1.00 0.00 C ATOM 816 C GLN A 146 15.750 -3.082 -2.883 1.00 0.00 C ATOM 817 O GLN A 146 16.137 -2.107 -3.529 1.00 0.00 O ATOM 818 CB GLN A 146 17.425 -4.658 -1.897 1.00 0.00 C ATOM 819 CG GLN A 146 18.493 -4.316 -2.925 1.00 0.00 C ATOM 820 CD GLN A 146 19.429 -3.217 -2.458 1.00 0.00 C ATOM 821 OE1 GLN A 146 19.004 -2.092 -2.192 1.00 0.00 O ATOM 822 NE2 GLN A 146 20.713 -3.538 -2.359 1.00 0.00 N ATOM 0 H GLN A 146 15.543 -4.884 -0.313 1.00 0.00 H new ATOM 0 HA GLN A 146 17.030 -2.656 -1.224 1.00 0.00 H new ATOM 0 HB2 GLN A 146 17.910 -4.960 -0.969 1.00 0.00 H new ATOM 0 HB3 GLN A 146 16.853 -5.516 -2.252 1.00 0.00 H new ATOM 0 HG2 GLN A 146 19.074 -5.210 -3.150 1.00 0.00 H new ATOM 0 HG3 GLN A 146 18.012 -4.007 -3.853 1.00 0.00 H new ATOM 0 HE21 GLN A 146 21.022 -4.482 -2.589 1.00 0.00 H new ATOM 0 HE22 GLN A 146 21.391 -2.840 -2.052 1.00 0.00 H new ATOM 831 N GLY A 147 14.706 -3.822 -3.241 1.00 0.00 N ATOM 832 CA GLY A 147 13.949 -3.516 -4.438 1.00 0.00 C ATOM 833 C GLY A 147 12.747 -4.422 -4.601 1.00 0.00 C ATOM 834 O GLY A 147 12.501 -4.953 -5.684 1.00 0.00 O ATOM 0 H GLY A 147 14.370 -4.632 -2.720 1.00 0.00 H new ATOM 0 HA2 GLY A 147 13.617 -2.478 -4.401 1.00 0.00 H new ATOM 0 HA3 GLY A 147 14.596 -3.613 -5.310 1.00 0.00 H new ATOM 838 N GLN A 148 11.997 -4.597 -3.518 1.00 0.00 N ATOM 839 CA GLN A 148 10.812 -5.444 -3.531 1.00 0.00 C ATOM 840 C GLN A 148 10.013 -5.274 -2.244 1.00 0.00 C ATOM 841 O GLN A 148 10.576 -5.264 -1.150 1.00 0.00 O ATOM 842 CB GLN A 148 11.210 -6.911 -3.708 1.00 0.00 C ATOM 843 CG GLN A 148 12.144 -7.422 -2.621 1.00 0.00 C ATOM 844 CD GLN A 148 12.530 -8.880 -2.804 1.00 0.00 C ATOM 845 OE1 GLN A 148 12.022 -9.510 -3.859 1.00 0.00 O flip ATOM 846 NE2 GLN A 148 13.282 -9.436 -2.003 1.00 0.00 N flip ATOM 0 H GLN A 148 12.191 -4.161 -2.617 1.00 0.00 H new ATOM 0 HA GLN A 148 10.186 -5.142 -4.371 1.00 0.00 H new ATOM 0 HB2 GLN A 148 10.309 -7.525 -3.720 1.00 0.00 H new ATOM 0 HB3 GLN A 148 11.692 -7.034 -4.678 1.00 0.00 H new ATOM 0 HG2 GLN A 148 13.047 -6.812 -2.610 1.00 0.00 H new ATOM 0 HG3 GLN A 148 11.664 -7.298 -1.650 1.00 0.00 H new ATOM 0 HE21 GLN A 148 13.651 -8.918 -1.206 1.00 0.00 H new ATOM 0 HE22 GLN A 148 13.536 -10.415 -2.137 1.00 0.00 H new ATOM 855 N TRP A 149 8.699 -5.140 -2.382 1.00 0.00 N ATOM 856 CA TRP A 149 7.824 -4.970 -1.229 1.00 0.00 C ATOM 857 C TRP A 149 7.463 -6.323 -0.626 1.00 0.00 C ATOM 858 O TRP A 149 7.259 -7.299 -1.349 1.00 0.00 O ATOM 859 CB TRP A 149 6.560 -4.205 -1.627 1.00 0.00 C ATOM 860 CG TRP A 149 6.851 -2.891 -2.288 1.00 0.00 C ATOM 861 CD1 TRP A 149 7.347 -2.697 -3.545 1.00 0.00 C ATOM 862 CD2 TRP A 149 6.686 -1.587 -1.718 1.00 0.00 C ATOM 863 NE1 TRP A 149 7.485 -1.354 -3.797 1.00 0.00 N ATOM 864 CE2 TRP A 149 7.089 -0.652 -2.690 1.00 0.00 C ATOM 865 CE3 TRP A 149 6.233 -1.118 -0.482 1.00 0.00 C ATOM 866 CZ2 TRP A 149 7.052 0.721 -2.463 1.00 0.00 C ATOM 867 CZ3 TRP A 149 6.198 0.244 -0.258 1.00 0.00 C ATOM 868 CH2 TRP A 149 6.605 1.150 -1.245 1.00 0.00 C ATOM 0 H TRP A 149 8.217 -5.146 -3.281 1.00 0.00 H new ATOM 0 HA TRP A 149 8.356 -4.390 -0.475 1.00 0.00 H new ATOM 0 HB2 TRP A 149 5.967 -4.821 -2.303 1.00 0.00 H new ATOM 0 HB3 TRP A 149 5.953 -4.031 -0.739 1.00 0.00 H new ATOM 0 HD1 TRP A 149 7.595 -3.485 -4.240 1.00 0.00 H new ATOM 0 HE1 TRP A 149 7.827 -0.946 -4.667 1.00 0.00 H new ATOM 0 HE3 TRP A 149 5.916 -1.809 0.285 1.00 0.00 H new ATOM 0 HZ2 TRP A 149 7.365 1.422 -3.222 1.00 0.00 H new ATOM 0 HZ3 TRP A 149 5.851 0.617 0.694 1.00 0.00 H new ATOM 0 HH2 TRP A 149 6.565 2.209 -1.039 1.00 0.00 H new ATOM 879 N SER A 150 7.403 -6.378 0.701 1.00 0.00 N ATOM 880 CA SER A 150 7.085 -7.618 1.403 1.00 0.00 C ATOM 881 C SER A 150 5.796 -8.244 0.880 1.00 0.00 C ATOM 882 O SER A 150 5.803 -9.374 0.391 1.00 0.00 O ATOM 883 CB SER A 150 6.958 -7.357 2.905 1.00 0.00 C ATOM 884 OG SER A 150 5.939 -6.412 3.176 1.00 0.00 O ATOM 0 H SER A 150 7.570 -5.579 1.312 1.00 0.00 H new ATOM 0 HA SER A 150 7.901 -8.318 1.221 1.00 0.00 H new ATOM 0 HB2 SER A 150 6.738 -8.291 3.422 1.00 0.00 H new ATOM 0 HB3 SER A 150 7.908 -6.993 3.295 1.00 0.00 H new ATOM 0 HG SER A 150 5.768 -6.383 4.141 1.00 0.00 H new ATOM 890 N THR A 151 4.690 -7.514 0.989 1.00 0.00 N ATOM 891 CA THR A 151 3.403 -8.022 0.527 1.00 0.00 C ATOM 892 C THR A 151 2.862 -7.215 -0.654 1.00 0.00 C ATOM 893 O THR A 151 2.878 -5.985 -0.638 1.00 0.00 O ATOM 894 CB THR A 151 2.365 -8.022 1.664 1.00 0.00 C ATOM 895 OG1 THR A 151 2.330 -6.738 2.295 1.00 0.00 O ATOM 896 CG2 THR A 151 2.694 -9.090 2.696 1.00 0.00 C ATOM 0 H THR A 151 4.659 -6.577 1.390 1.00 0.00 H new ATOM 0 HA THR A 151 3.573 -9.046 0.196 1.00 0.00 H new ATOM 0 HB THR A 151 1.388 -8.242 1.234 1.00 0.00 H new ATOM 0 HG1 THR A 151 2.022 -6.066 1.652 1.00 0.00 H new ATOM 0 HG21 THR A 151 1.947 -9.071 3.490 1.00 0.00 H new ATOM 0 HG22 THR A 151 2.692 -10.070 2.219 1.00 0.00 H new ATOM 0 HG23 THR A 151 3.679 -8.895 3.120 1.00 0.00 H new ATOM 904 N PRO A 152 2.372 -7.908 -1.702 1.00 0.00 N ATOM 905 CA PRO A 152 1.820 -7.265 -2.901 1.00 0.00 C ATOM 906 C PRO A 152 0.523 -6.517 -2.608 1.00 0.00 C ATOM 907 O PRO A 152 -0.225 -6.892 -1.707 1.00 0.00 O ATOM 908 CB PRO A 152 1.555 -8.432 -3.864 1.00 0.00 C ATOM 909 CG PRO A 152 2.280 -9.601 -3.285 1.00 0.00 C ATOM 910 CD PRO A 152 2.314 -9.374 -1.802 1.00 0.00 C ATOM 0 HA PRO A 152 2.503 -6.518 -3.304 1.00 0.00 H new ATOM 0 HB2 PRO A 152 0.488 -8.636 -3.949 1.00 0.00 H new ATOM 0 HB3 PRO A 152 1.917 -8.203 -4.866 1.00 0.00 H new ATOM 0 HG2 PRO A 152 1.770 -10.534 -3.525 1.00 0.00 H new ATOM 0 HG3 PRO A 152 3.289 -9.675 -3.692 1.00 0.00 H new ATOM 0 HD2 PRO A 152 1.430 -9.779 -1.310 1.00 0.00 H new ATOM 0 HD3 PRO A 152 3.181 -9.846 -1.340 1.00 0.00 H new ATOM 918 N LYS A 153 0.268 -5.458 -3.375 1.00 0.00 N ATOM 919 CA LYS A 153 -0.936 -4.647 -3.201 1.00 0.00 C ATOM 920 C LYS A 153 -2.172 -5.518 -2.973 1.00 0.00 C ATOM 921 O LYS A 153 -2.404 -6.485 -3.698 1.00 0.00 O ATOM 922 CB LYS A 153 -1.152 -3.758 -4.426 1.00 0.00 C ATOM 923 CG LYS A 153 -0.047 -2.735 -4.640 1.00 0.00 C ATOM 924 CD LYS A 153 -0.285 -1.889 -5.884 1.00 0.00 C ATOM 925 CE LYS A 153 -1.551 -1.050 -5.774 1.00 0.00 C ATOM 926 NZ LYS A 153 -2.784 -1.878 -5.860 1.00 0.00 N ATOM 0 H LYS A 153 0.882 -5.141 -4.126 1.00 0.00 H new ATOM 0 HA LYS A 153 -0.792 -4.025 -2.318 1.00 0.00 H new ATOM 0 HB2 LYS A 153 -1.229 -4.388 -5.312 1.00 0.00 H new ATOM 0 HB3 LYS A 153 -2.103 -3.236 -4.322 1.00 0.00 H new ATOM 0 HG2 LYS A 153 0.019 -2.085 -3.767 1.00 0.00 H new ATOM 0 HG3 LYS A 153 0.910 -3.249 -4.729 1.00 0.00 H new ATOM 0 HD2 LYS A 153 0.571 -1.233 -6.045 1.00 0.00 H new ATOM 0 HD3 LYS A 153 -0.357 -2.539 -6.756 1.00 0.00 H new ATOM 0 HE2 LYS A 153 -1.545 -0.508 -4.828 1.00 0.00 H new ATOM 0 HE3 LYS A 153 -1.560 -0.304 -6.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 -3.509 -1.365 -6.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 -2.566 -2.776 -6.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 -3.139 -2.072 -4.902 1.00 0.00 H new ATOM 940 N PRO A 154 -2.982 -5.181 -1.951 1.00 0.00 N ATOM 941 CA PRO A 154 -4.197 -5.933 -1.618 1.00 0.00 C ATOM 942 C PRO A 154 -5.377 -5.592 -2.525 1.00 0.00 C ATOM 943 O PRO A 154 -5.215 -5.411 -3.733 1.00 0.00 O ATOM 944 CB PRO A 154 -4.485 -5.491 -0.186 1.00 0.00 C ATOM 945 CG PRO A 154 -3.964 -4.097 -0.113 1.00 0.00 C ATOM 946 CD PRO A 154 -2.773 -4.042 -1.034 1.00 0.00 C ATOM 0 HA PRO A 154 -4.057 -7.007 -1.741 1.00 0.00 H new ATOM 0 HB2 PRO A 154 -5.552 -5.528 0.034 1.00 0.00 H new ATOM 0 HB3 PRO A 154 -3.988 -6.139 0.537 1.00 0.00 H new ATOM 0 HG2 PRO A 154 -4.726 -3.381 -0.420 1.00 0.00 H new ATOM 0 HG3 PRO A 154 -3.679 -3.842 0.907 1.00 0.00 H new ATOM 0 HD2 PRO A 154 -2.729 -3.096 -1.575 1.00 0.00 H new ATOM 0 HD3 PRO A 154 -1.837 -4.138 -0.484 1.00 0.00 H new ATOM 954 N HIS A 155 -6.565 -5.512 -1.929 1.00 0.00 N ATOM 955 CA HIS A 155 -7.783 -5.197 -2.665 1.00 0.00 C ATOM 956 C HIS A 155 -8.809 -4.547 -1.743 1.00 0.00 C ATOM 957 O HIS A 155 -8.906 -4.896 -0.566 1.00 0.00 O ATOM 958 CB HIS A 155 -8.367 -6.467 -3.289 1.00 0.00 C ATOM 959 CG HIS A 155 -8.710 -7.521 -2.282 1.00 0.00 C ATOM 960 ND1 HIS A 155 -7.784 -8.071 -1.421 1.00 0.00 N ATOM 961 CD2 HIS A 155 -9.889 -8.126 -2.000 1.00 0.00 C ATOM 962 CE1 HIS A 155 -8.377 -8.968 -0.654 1.00 0.00 C ATOM 963 NE2 HIS A 155 -9.653 -9.020 -0.985 1.00 0.00 N ATOM 0 H HIS A 155 -6.708 -5.663 -0.930 1.00 0.00 H new ATOM 0 HA HIS A 155 -7.535 -4.495 -3.461 1.00 0.00 H new ATOM 0 HB2 HIS A 155 -9.264 -6.207 -3.852 1.00 0.00 H new ATOM 0 HB3 HIS A 155 -7.650 -6.875 -4.002 1.00 0.00 H new ATOM 0 HD2 HIS A 155 -10.837 -7.940 -2.483 1.00 0.00 H new ATOM 0 HE1 HIS A 155 -7.899 -9.558 0.114 1.00 0.00 H new ATOM 0 HE2 HIS A 155 -10.352 -9.627 -0.556 1.00 0.00 H new ATOM 972 N CYS A 156 -9.574 -3.600 -2.279 1.00 0.00 N ATOM 973 CA CYS A 156 -10.588 -2.907 -1.493 1.00 0.00 C ATOM 974 C CYS A 156 -11.966 -3.514 -1.720 1.00 0.00 C ATOM 975 O CYS A 156 -12.371 -3.752 -2.858 1.00 0.00 O ATOM 976 CB CYS A 156 -10.614 -1.418 -1.847 1.00 0.00 C ATOM 977 SG CYS A 156 -9.082 -0.524 -1.433 1.00 0.00 S ATOM 0 H CYS A 156 -9.511 -3.296 -3.251 1.00 0.00 H new ATOM 0 HA CYS A 156 -10.329 -3.020 -0.440 1.00 0.00 H new ATOM 0 HB2 CYS A 156 -10.805 -1.313 -2.915 1.00 0.00 H new ATOM 0 HB3 CYS A 156 -11.448 -0.947 -1.327 1.00 0.00 H new ATOM 982 N GLN A 157 -12.685 -3.759 -0.629 1.00 0.00 N ATOM 983 CA GLN A 157 -14.022 -4.336 -0.709 1.00 0.00 C ATOM 984 C GLN A 157 -15.036 -3.435 -0.013 1.00 0.00 C ATOM 985 O GLN A 157 -14.751 -2.864 1.038 1.00 0.00 O ATOM 986 CB GLN A 157 -14.039 -5.732 -0.080 1.00 0.00 C ATOM 987 CG GLN A 157 -15.387 -6.433 -0.176 1.00 0.00 C ATOM 988 CD GLN A 157 -15.797 -6.758 -1.604 1.00 0.00 C ATOM 989 OE1 GLN A 157 -14.910 -6.501 -2.562 1.00 0.00 O flip ATOM 990 NE2 GLN A 157 -16.899 -7.250 -1.844 1.00 0.00 N flip ATOM 0 H GLN A 157 -12.364 -3.567 0.320 1.00 0.00 H new ATOM 0 HA GLN A 157 -14.296 -4.421 -1.760 1.00 0.00 H new ATOM 0 HB2 GLN A 157 -13.284 -6.349 -0.567 1.00 0.00 H new ATOM 0 HB3 GLN A 157 -13.756 -5.651 0.970 1.00 0.00 H new ATOM 0 HG2 GLN A 157 -15.351 -7.356 0.403 1.00 0.00 H new ATOM 0 HG3 GLN A 157 -16.150 -5.801 0.279 1.00 0.00 H new ATOM 0 HE21 GLN A 157 -17.553 -7.433 -1.083 1.00 0.00 H new ATOM 0 HE22 GLN A 157 -17.159 -7.475 -2.804 1.00 0.00 H new ATOM 999 N VAL A 158 -16.220 -3.310 -0.605 1.00 0.00 N ATOM 1000 CA VAL A 158 -17.271 -2.481 -0.038 1.00 0.00 C ATOM 1001 C VAL A 158 -18.031 -3.245 1.035 1.00 0.00 C ATOM 1002 O VAL A 158 -18.419 -4.396 0.834 1.00 0.00 O ATOM 1003 CB VAL A 158 -18.257 -1.996 -1.122 1.00 0.00 C ATOM 1004 CG1 VAL A 158 -18.931 -3.176 -1.807 1.00 0.00 C ATOM 1005 CG2 VAL A 158 -19.290 -1.054 -0.523 1.00 0.00 C ATOM 0 H VAL A 158 -16.473 -3.774 -1.478 1.00 0.00 H new ATOM 0 HA VAL A 158 -16.793 -1.608 0.407 1.00 0.00 H new ATOM 0 HB VAL A 158 -17.693 -1.447 -1.876 1.00 0.00 H new ATOM 0 HG11 VAL A 158 -19.621 -2.810 -2.567 1.00 0.00 H new ATOM 0 HG12 VAL A 158 -18.175 -3.805 -2.277 1.00 0.00 H new ATOM 0 HG13 VAL A 158 -19.481 -3.760 -1.069 1.00 0.00 H new ATOM 0 HG21 VAL A 158 -19.976 -0.723 -1.303 1.00 0.00 H new ATOM 0 HG22 VAL A 158 -19.849 -1.574 0.255 1.00 0.00 H new ATOM 0 HG23 VAL A 158 -18.787 -0.189 -0.091 1.00 0.00 H new ATOM 1015 N ASN A 159 -18.233 -2.608 2.180 1.00 0.00 N ATOM 1016 CA ASN A 159 -18.939 -3.247 3.278 1.00 0.00 C ATOM 1017 C ASN A 159 -20.429 -3.373 2.971 1.00 0.00 C ATOM 1018 O ASN A 159 -21.102 -4.186 3.639 1.00 0.00 O ATOM 1019 CB ASN A 159 -18.731 -2.467 4.577 1.00 0.00 C ATOM 1020 CG ASN A 159 -19.233 -1.039 4.487 1.00 0.00 C ATOM 1021 OD1 ASN A 159 -20.416 -0.797 4.248 1.00 0.00 O ATOM 1022 ND2 ASN A 159 -18.332 -0.082 4.681 1.00 0.00 N ATOM 1023 OXT ASN A 159 -20.909 -2.656 2.068 1.00 0.00 O ATOM 0 H ASN A 159 -17.920 -1.656 2.371 1.00 0.00 H new ATOM 0 HA ASN A 159 -18.529 -4.249 3.402 1.00 0.00 H new ATOM 0 HB2 ASN A 159 -19.246 -2.979 5.390 1.00 0.00 H new ATOM 0 HB3 ASN A 159 -17.670 -2.460 4.826 1.00 0.00 H new ATOM 0 HD21 ASN A 159 -18.611 0.898 4.634 1.00 0.00 H new ATOM 0 HD22 ASN A 159 -17.361 -0.327 4.877 1.00 0.00 H new TER 1030 ASN A 159