USER MOD reduce.3.24.130724 H: found=0, std=0, add=501, rem=0, adj=15 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 135 HIS : no HD1:sc= -0.287 K(o=-0.29,f=-5!) USER MOD Set 1.2: A 157 GLN : amide:sc= 0 X(o=-0.29,f=-0.3) USER MOD Single : A 100 SER OG : rot 43:sc= 0.309 USER MOD Single : A 101 LYS NZ :NH3+ -167:sc= -0.0149 (180deg=-0.211) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 130:sc= -0.623 USER MOD Single : A 105 THR OG1 : rot -6:sc= 0.77 USER MOD Single : A 108 ASN :FLIP amide:sc= -0.653 F(o=-1.6!,f=-0.65) USER MOD Single : A 110 LYS NZ :NH3+ 132:sc= 0.0652 (180deg=-0.404) USER MOD Single : A 114 THR OG1 : rot -20:sc= 0.566 USER MOD Single : A 139 SER OG : rot 153:sc= -0.598 USER MOD Single : A 140 SER OG : rot 180:sc= -0.282 USER MOD Single : A 142 SER OG : rot 106:sc= -0.833 USER MOD Single : A 145 SER OG : rot 180:sc= 0 USER MOD Single : A 146 GLN : amide:sc= -1.04 K(o=-1,f=-3.2!) USER MOD Single : A 148 GLN : amide:sc= -0.0297 X(o=-0.03,f=0) USER MOD Single : A 150 SER OG : rot 180:sc= 0 USER MOD Single : A 151 THR OG1 : rot -128:sc= -2.09! USER MOD Single : A 153 LYS NZ :NH3+ -145:sc= -1.79 (180deg=-3.26!) USER MOD Single : A 155 HIS : no HD1:sc= -0.181 K(o=-0.18,f=-0.78) USER MOD Single : A 159 ASN : amide:sc= 0.0611 K(o=0.061,f=-2.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 92 27.640 5.986 -13.598 1.00 0.00 N ATOM 2 CA GLU A 92 26.527 5.040 -13.319 1.00 0.00 C ATOM 3 C GLU A 92 25.403 5.729 -12.552 1.00 0.00 C ATOM 4 O GLU A 92 24.976 5.257 -11.498 1.00 0.00 O ATOM 5 CB GLU A 92 27.078 3.862 -12.512 1.00 0.00 C ATOM 6 CG GLU A 92 28.249 3.159 -13.181 1.00 0.00 C ATOM 7 CD GLU A 92 27.911 2.647 -14.567 1.00 0.00 C ATOM 8 OE1 GLU A 92 26.981 1.821 -14.686 1.00 0.00 O ATOM 9 OE2 GLU A 92 28.576 3.073 -15.535 1.00 0.00 O ATOM 0 HA GLU A 92 26.111 4.684 -14.262 1.00 0.00 H new ATOM 0 HB2 GLU A 92 27.392 4.220 -11.531 1.00 0.00 H new ATOM 0 HB3 GLU A 92 26.278 3.140 -12.347 1.00 0.00 H new ATOM 0 HG2 GLU A 92 29.091 3.848 -13.248 1.00 0.00 H new ATOM 0 HG3 GLU A 92 28.570 2.324 -12.558 1.00 0.00 H new ATOM 18 N ALA A 93 24.934 6.853 -13.088 1.00 0.00 N ATOM 19 CA ALA A 93 23.862 7.620 -12.460 1.00 0.00 C ATOM 20 C ALA A 93 22.557 6.825 -12.413 1.00 0.00 C ATOM 21 O ALA A 93 22.565 5.616 -12.180 1.00 0.00 O ATOM 22 CB ALA A 93 23.663 8.935 -13.202 1.00 0.00 C ATOM 0 H ALA A 93 25.281 7.254 -13.959 1.00 0.00 H new ATOM 0 HA ALA A 93 24.152 7.831 -11.431 1.00 0.00 H new ATOM 0 HB1 ALA A 93 22.862 9.502 -12.728 1.00 0.00 H new ATOM 0 HB2 ALA A 93 24.586 9.514 -13.170 1.00 0.00 H new ATOM 0 HB3 ALA A 93 23.399 8.731 -14.240 1.00 0.00 H new ATOM 28 N GLU A 94 21.435 7.510 -12.636 1.00 0.00 N ATOM 29 CA GLU A 94 20.126 6.866 -12.617 1.00 0.00 C ATOM 30 C GLU A 94 19.861 6.202 -11.267 1.00 0.00 C ATOM 31 O GLU A 94 19.434 5.048 -11.205 1.00 0.00 O ATOM 32 CB GLU A 94 20.023 5.831 -13.741 1.00 0.00 C ATOM 33 CG GLU A 94 20.166 6.427 -15.133 1.00 0.00 C ATOM 34 CD GLU A 94 20.088 5.382 -16.227 1.00 0.00 C ATOM 35 OE1 GLU A 94 19.048 4.695 -16.321 1.00 0.00 O ATOM 36 OE2 GLU A 94 21.067 5.249 -16.992 1.00 0.00 O ATOM 0 H GLU A 94 21.409 8.511 -12.832 1.00 0.00 H new ATOM 0 HA GLU A 94 19.371 7.636 -12.774 1.00 0.00 H new ATOM 0 HB2 GLU A 94 20.794 5.074 -13.598 1.00 0.00 H new ATOM 0 HB3 GLU A 94 19.061 5.324 -13.669 1.00 0.00 H new ATOM 0 HG2 GLU A 94 19.383 7.169 -15.288 1.00 0.00 H new ATOM 0 HG3 GLU A 94 21.119 6.951 -15.203 1.00 0.00 H new ATOM 43 N PHE A 95 20.115 6.939 -10.187 1.00 0.00 N ATOM 44 CA PHE A 95 19.900 6.420 -8.840 1.00 0.00 C ATOM 45 C PHE A 95 18.439 6.035 -8.635 1.00 0.00 C ATOM 46 O PHE A 95 17.534 6.773 -9.026 1.00 0.00 O ATOM 47 CB PHE A 95 20.314 7.451 -7.786 1.00 0.00 C ATOM 48 CG PHE A 95 21.785 7.763 -7.773 1.00 0.00 C ATOM 49 CD1 PHE A 95 22.409 8.303 -8.887 1.00 0.00 C ATOM 50 CD2 PHE A 95 22.544 7.522 -6.638 1.00 0.00 C ATOM 51 CE1 PHE A 95 23.759 8.594 -8.871 1.00 0.00 C ATOM 52 CE2 PHE A 95 23.895 7.811 -6.616 1.00 0.00 C ATOM 53 CZ PHE A 95 24.504 8.347 -7.734 1.00 0.00 C ATOM 0 H PHE A 95 20.469 7.895 -10.219 1.00 0.00 H new ATOM 0 HA PHE A 95 20.519 5.530 -8.725 1.00 0.00 H new ATOM 0 HB2 PHE A 95 19.760 8.374 -7.959 1.00 0.00 H new ATOM 0 HB3 PHE A 95 20.023 7.084 -6.802 1.00 0.00 H new ATOM 0 HD1 PHE A 95 21.832 8.499 -9.779 1.00 0.00 H new ATOM 0 HD2 PHE A 95 22.074 7.103 -5.761 1.00 0.00 H new ATOM 0 HE1 PHE A 95 24.232 9.014 -9.746 1.00 0.00 H new ATOM 0 HE2 PHE A 95 24.474 7.618 -5.725 1.00 0.00 H new ATOM 0 HZ PHE A 95 25.560 8.572 -7.719 1.00 0.00 H new ATOM 63 N VAL A 96 18.217 4.876 -8.020 1.00 0.00 N ATOM 64 CA VAL A 96 16.864 4.393 -7.765 1.00 0.00 C ATOM 65 C VAL A 96 16.881 3.109 -6.940 1.00 0.00 C ATOM 66 O VAL A 96 17.710 2.225 -7.163 1.00 0.00 O ATOM 67 CB VAL A 96 16.099 4.142 -9.080 1.00 0.00 C ATOM 68 CG1 VAL A 96 16.830 3.120 -9.938 1.00 0.00 C ATOM 69 CG2 VAL A 96 14.675 3.690 -8.795 1.00 0.00 C ATOM 0 H VAL A 96 18.956 4.255 -7.690 1.00 0.00 H new ATOM 0 HA VAL A 96 16.352 5.172 -7.201 1.00 0.00 H new ATOM 0 HB VAL A 96 16.052 5.080 -9.634 1.00 0.00 H new ATOM 0 HG11 VAL A 96 16.275 2.956 -10.861 1.00 0.00 H new ATOM 0 HG12 VAL A 96 17.827 3.491 -10.175 1.00 0.00 H new ATOM 0 HG13 VAL A 96 16.913 2.180 -9.393 1.00 0.00 H new ATOM 0 HG21 VAL A 96 14.153 3.518 -9.736 1.00 0.00 H new ATOM 0 HG22 VAL A 96 14.695 2.766 -8.217 1.00 0.00 H new ATOM 0 HG23 VAL A 96 14.155 4.461 -8.227 1.00 0.00 H new ATOM 79 N ARG A 97 15.957 3.014 -5.986 1.00 0.00 N ATOM 80 CA ARG A 97 15.856 1.842 -5.124 1.00 0.00 C ATOM 81 C ARG A 97 14.569 1.876 -4.310 1.00 0.00 C ATOM 82 O ARG A 97 14.596 1.906 -3.080 1.00 0.00 O ATOM 83 CB ARG A 97 17.064 1.731 -4.184 1.00 0.00 C ATOM 84 CG ARG A 97 17.263 2.926 -3.253 1.00 0.00 C ATOM 85 CD ARG A 97 17.671 4.179 -4.012 1.00 0.00 C ATOM 86 NE ARG A 97 17.904 5.313 -3.121 1.00 0.00 N ATOM 87 CZ ARG A 97 18.264 6.520 -3.544 1.00 0.00 C ATOM 88 NH1 ARG A 97 18.427 6.751 -4.840 1.00 0.00 N ATOM 89 NH2 ARG A 97 18.460 7.500 -2.671 1.00 0.00 N ATOM 0 H ARG A 97 15.266 3.738 -5.791 1.00 0.00 H new ATOM 0 HA ARG A 97 15.843 0.965 -5.771 1.00 0.00 H new ATOM 0 HB2 ARG A 97 16.954 0.831 -3.579 1.00 0.00 H new ATOM 0 HB3 ARG A 97 17.964 1.603 -4.785 1.00 0.00 H new ATOM 0 HG2 ARG A 97 16.339 3.118 -2.707 1.00 0.00 H new ATOM 0 HG3 ARG A 97 18.027 2.686 -2.513 1.00 0.00 H new ATOM 0 HD2 ARG A 97 18.577 3.977 -4.584 1.00 0.00 H new ATOM 0 HD3 ARG A 97 16.892 4.437 -4.729 1.00 0.00 H new ATOM 0 HE ARG A 97 17.784 5.170 -2.118 1.00 0.00 H new ATOM 0 HH11 ARG A 97 18.276 6.001 -5.515 1.00 0.00 H new ATOM 0 HH12 ARG A 97 18.703 7.679 -5.162 1.00 0.00 H new ATOM 0 HH21 ARG A 97 18.334 7.327 -1.674 1.00 0.00 H new ATOM 0 HH22 ARG A 97 18.736 8.426 -2.997 1.00 0.00 H new ATOM 103 N ILE A 98 13.441 1.874 -5.005 1.00 0.00 N ATOM 104 CA ILE A 98 12.148 1.909 -4.348 1.00 0.00 C ATOM 105 C ILE A 98 11.122 1.039 -5.062 1.00 0.00 C ATOM 106 O ILE A 98 11.213 0.805 -6.267 1.00 0.00 O ATOM 107 CB ILE A 98 11.607 3.352 -4.231 1.00 0.00 C ATOM 108 CG1 ILE A 98 11.802 4.130 -5.542 1.00 0.00 C ATOM 109 CG2 ILE A 98 12.284 4.077 -3.079 1.00 0.00 C ATOM 110 CD1 ILE A 98 11.038 3.569 -6.722 1.00 0.00 C ATOM 0 H ILE A 98 13.398 1.848 -6.024 1.00 0.00 H new ATOM 0 HA ILE A 98 12.305 1.509 -3.346 1.00 0.00 H new ATOM 0 HB ILE A 98 10.537 3.295 -4.033 1.00 0.00 H new ATOM 0 HG12 ILE A 98 11.496 5.164 -5.385 1.00 0.00 H new ATOM 0 HG13 ILE A 98 12.864 4.145 -5.787 1.00 0.00 H new ATOM 0 HG21 ILE A 98 11.893 5.092 -3.008 1.00 0.00 H new ATOM 0 HG22 ILE A 98 12.085 3.546 -2.148 1.00 0.00 H new ATOM 0 HG23 ILE A 98 13.359 4.113 -3.254 1.00 0.00 H new ATOM 0 HD11 ILE A 98 11.233 4.178 -7.605 1.00 0.00 H new ATOM 0 HD12 ILE A 98 11.360 2.545 -6.910 1.00 0.00 H new ATOM 0 HD13 ILE A 98 9.970 3.580 -6.502 1.00 0.00 H new ATOM 122 N CYS A 99 10.141 0.569 -4.303 1.00 0.00 N ATOM 123 CA CYS A 99 9.084 -0.262 -4.852 1.00 0.00 C ATOM 124 C CYS A 99 8.265 0.541 -5.856 1.00 0.00 C ATOM 125 O CYS A 99 8.101 1.750 -5.693 1.00 0.00 O ATOM 126 CB CYS A 99 8.173 -0.765 -3.735 1.00 0.00 C ATOM 127 SG CYS A 99 9.040 -1.572 -2.354 1.00 0.00 S ATOM 0 H CYS A 99 10.057 0.751 -3.303 1.00 0.00 H new ATOM 0 HA CYS A 99 9.536 -1.118 -5.354 1.00 0.00 H new ATOM 0 HB2 CYS A 99 7.600 0.076 -3.345 1.00 0.00 H new ATOM 0 HB3 CYS A 99 7.457 -1.469 -4.158 1.00 0.00 H new ATOM 132 N SER A 100 7.757 -0.129 -6.888 1.00 0.00 N ATOM 133 CA SER A 100 6.955 0.543 -7.910 1.00 0.00 C ATOM 134 C SER A 100 6.020 1.569 -7.274 1.00 0.00 C ATOM 135 O SER A 100 5.155 1.222 -6.471 1.00 0.00 O ATOM 136 CB SER A 100 6.142 -0.482 -8.704 1.00 0.00 C ATOM 137 OG SER A 100 5.263 -1.203 -7.860 1.00 0.00 O ATOM 0 H SER A 100 7.885 -1.130 -7.039 1.00 0.00 H new ATOM 0 HA SER A 100 7.632 1.063 -8.588 1.00 0.00 H new ATOM 0 HB2 SER A 100 5.570 0.026 -9.480 1.00 0.00 H new ATOM 0 HB3 SER A 100 6.817 -1.174 -9.207 1.00 0.00 H new ATOM 0 HG SER A 100 4.832 -0.586 -7.233 1.00 0.00 H new ATOM 143 N LYS A 101 6.206 2.835 -7.634 1.00 0.00 N ATOM 144 CA LYS A 101 5.384 3.913 -7.091 1.00 0.00 C ATOM 145 C LYS A 101 3.959 3.860 -7.637 1.00 0.00 C ATOM 146 O LYS A 101 3.166 4.778 -7.419 1.00 0.00 O ATOM 147 CB LYS A 101 6.023 5.269 -7.404 1.00 0.00 C ATOM 148 CG LYS A 101 7.359 5.485 -6.712 1.00 0.00 C ATOM 149 CD LYS A 101 7.948 6.844 -7.056 1.00 0.00 C ATOM 150 CE LYS A 101 9.289 7.060 -6.373 1.00 0.00 C ATOM 151 NZ LYS A 101 9.171 7.009 -4.889 1.00 0.00 N ATOM 0 H LYS A 101 6.917 3.140 -8.298 1.00 0.00 H new ATOM 0 HA LYS A 101 5.330 3.783 -6.010 1.00 0.00 H new ATOM 0 HB2 LYS A 101 6.163 5.355 -8.482 1.00 0.00 H new ATOM 0 HB3 LYS A 101 5.337 6.062 -7.107 1.00 0.00 H new ATOM 0 HG2 LYS A 101 7.229 5.406 -5.633 1.00 0.00 H new ATOM 0 HG3 LYS A 101 8.055 4.700 -7.007 1.00 0.00 H new ATOM 0 HD2 LYS A 101 8.071 6.925 -8.136 1.00 0.00 H new ATOM 0 HD3 LYS A 101 7.254 7.629 -6.755 1.00 0.00 H new ATOM 0 HE2 LYS A 101 9.994 6.299 -6.708 1.00 0.00 H new ATOM 0 HE3 LYS A 101 9.697 8.025 -6.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 10.045 7.374 -4.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 8.365 7.592 -4.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 9.021 6.025 -4.586 1.00 0.00 H new ATOM 165 N SER A 102 3.637 2.780 -8.342 1.00 0.00 N ATOM 166 CA SER A 102 2.307 2.601 -8.916 1.00 0.00 C ATOM 167 C SER A 102 1.261 2.376 -7.826 1.00 0.00 C ATOM 168 O SER A 102 0.136 2.871 -7.920 1.00 0.00 O ATOM 169 CB SER A 102 2.308 1.419 -9.887 1.00 0.00 C ATOM 170 OG SER A 102 3.212 1.636 -10.955 1.00 0.00 O ATOM 0 H SER A 102 4.282 2.012 -8.530 1.00 0.00 H new ATOM 0 HA SER A 102 2.048 3.512 -9.455 1.00 0.00 H new ATOM 0 HB2 SER A 102 2.581 0.508 -9.355 1.00 0.00 H new ATOM 0 HB3 SER A 102 1.303 1.268 -10.282 1.00 0.00 H new ATOM 0 HG SER A 102 3.195 0.865 -11.560 1.00 0.00 H new ATOM 176 N TYR A 103 1.637 1.613 -6.801 1.00 0.00 N ATOM 177 CA TYR A 103 0.735 1.303 -5.694 1.00 0.00 C ATOM 178 C TYR A 103 0.116 2.560 -5.093 1.00 0.00 C ATOM 179 O TYR A 103 -1.053 2.558 -4.710 1.00 0.00 O ATOM 180 CB TYR A 103 1.475 0.513 -4.612 1.00 0.00 C ATOM 181 CG TYR A 103 1.722 -0.937 -4.974 1.00 0.00 C ATOM 182 CD1 TYR A 103 2.190 -1.297 -6.233 1.00 0.00 C ATOM 183 CD2 TYR A 103 1.482 -1.948 -4.051 1.00 0.00 C ATOM 184 CE1 TYR A 103 2.411 -2.621 -6.560 1.00 0.00 C ATOM 185 CE2 TYR A 103 1.701 -3.274 -4.372 1.00 0.00 C ATOM 186 CZ TYR A 103 2.165 -3.605 -5.627 1.00 0.00 C ATOM 187 OH TYR A 103 2.383 -4.925 -5.950 1.00 0.00 O ATOM 0 H TYR A 103 2.564 1.197 -6.715 1.00 0.00 H new ATOM 0 HA TYR A 103 -0.076 0.695 -6.095 1.00 0.00 H new ATOM 0 HB2 TYR A 103 2.432 0.996 -4.413 1.00 0.00 H new ATOM 0 HB3 TYR A 103 0.899 0.554 -3.688 1.00 0.00 H new ATOM 0 HD1 TYR A 103 2.384 -0.529 -6.967 1.00 0.00 H new ATOM 0 HD2 TYR A 103 1.118 -1.693 -3.067 1.00 0.00 H new ATOM 0 HE1 TYR A 103 2.775 -2.884 -7.542 1.00 0.00 H new ATOM 0 HE2 TYR A 103 1.510 -4.047 -3.643 1.00 0.00 H new ATOM 0 HH TYR A 103 2.926 -5.347 -5.252 1.00 0.00 H new ATOM 197 N LEU A 104 0.902 3.628 -5.008 1.00 0.00 N ATOM 198 CA LEU A 104 0.422 4.885 -4.448 1.00 0.00 C ATOM 199 C LEU A 104 -0.900 5.299 -5.086 1.00 0.00 C ATOM 200 O LEU A 104 -1.110 5.099 -6.281 1.00 0.00 O ATOM 201 CB LEU A 104 1.463 5.993 -4.634 1.00 0.00 C ATOM 202 CG LEU A 104 2.742 5.835 -3.805 1.00 0.00 C ATOM 203 CD1 LEU A 104 3.517 4.597 -4.228 1.00 0.00 C ATOM 204 CD2 LEU A 104 3.614 7.074 -3.936 1.00 0.00 C ATOM 0 H LEU A 104 1.873 3.648 -5.320 1.00 0.00 H new ATOM 0 HA LEU A 104 0.258 4.732 -3.381 1.00 0.00 H new ATOM 0 HB2 LEU A 104 1.736 6.039 -5.688 1.00 0.00 H new ATOM 0 HB3 LEU A 104 1.002 6.948 -4.382 1.00 0.00 H new ATOM 0 HG LEU A 104 2.455 5.715 -2.760 1.00 0.00 H new ATOM 0 HD11 LEU A 104 4.420 4.509 -3.624 1.00 0.00 H new ATOM 0 HD12 LEU A 104 2.896 3.713 -4.084 1.00 0.00 H new ATOM 0 HD13 LEU A 104 3.791 4.681 -5.280 1.00 0.00 H new ATOM 0 HD21 LEU A 104 4.519 6.947 -3.342 1.00 0.00 H new ATOM 0 HD22 LEU A 104 3.884 7.220 -4.982 1.00 0.00 H new ATOM 0 HD23 LEU A 104 3.065 7.945 -3.579 1.00 0.00 H new ATOM 216 N THR A 105 -1.785 5.868 -4.267 1.00 0.00 N ATOM 217 CA THR A 105 -3.105 6.319 -4.712 1.00 0.00 C ATOM 218 C THR A 105 -3.949 5.161 -5.236 1.00 0.00 C ATOM 219 O THR A 105 -3.488 4.349 -6.037 1.00 0.00 O ATOM 220 CB THR A 105 -3.013 7.411 -5.799 1.00 0.00 C ATOM 221 OG1 THR A 105 -2.513 6.861 -7.022 1.00 0.00 O ATOM 222 CG2 THR A 105 -2.108 8.547 -5.346 1.00 0.00 C ATOM 0 H THR A 105 -1.607 6.030 -3.276 1.00 0.00 H new ATOM 0 HA THR A 105 -3.588 6.744 -3.832 1.00 0.00 H new ATOM 0 HB THR A 105 -4.016 7.802 -5.966 1.00 0.00 H new ATOM 0 HG1 THR A 105 -2.245 5.930 -6.876 1.00 0.00 H new ATOM 0 HG21 THR A 105 -2.057 9.305 -6.127 1.00 0.00 H new ATOM 0 HG22 THR A 105 -2.509 8.991 -4.435 1.00 0.00 H new ATOM 0 HG23 THR A 105 -1.108 8.160 -5.151 1.00 0.00 H new ATOM 230 N LEU A 106 -5.192 5.096 -4.772 1.00 0.00 N ATOM 231 CA LEU A 106 -6.115 4.045 -5.183 1.00 0.00 C ATOM 232 C LEU A 106 -7.541 4.582 -5.259 1.00 0.00 C ATOM 233 O LEU A 106 -7.985 5.311 -4.372 1.00 0.00 O ATOM 234 CB LEU A 106 -6.049 2.871 -4.203 1.00 0.00 C ATOM 235 CG LEU A 106 -7.034 1.728 -4.475 1.00 0.00 C ATOM 236 CD1 LEU A 106 -6.818 1.147 -5.865 1.00 0.00 C ATOM 237 CD2 LEU A 106 -6.891 0.644 -3.417 1.00 0.00 C ATOM 0 H LEU A 106 -5.585 5.763 -4.108 1.00 0.00 H new ATOM 0 HA LEU A 106 -5.822 3.698 -6.174 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -5.037 2.466 -4.216 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -6.228 3.250 -3.197 1.00 0.00 H new ATOM 0 HG LEU A 106 -8.046 2.130 -4.428 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -7.528 0.338 -6.035 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -6.969 1.926 -6.612 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -5.802 0.761 -5.944 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -7.597 -0.161 -3.623 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -5.875 0.250 -3.435 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -7.099 1.066 -2.434 1.00 0.00 H new ATOM 249 N GLU A 107 -8.254 4.220 -6.321 1.00 0.00 N ATOM 250 CA GLU A 107 -9.629 4.670 -6.502 1.00 0.00 C ATOM 251 C GLU A 107 -10.483 4.262 -5.307 1.00 0.00 C ATOM 252 O GLU A 107 -10.434 3.114 -4.863 1.00 0.00 O ATOM 253 CB GLU A 107 -10.216 4.094 -7.792 1.00 0.00 C ATOM 254 CG GLU A 107 -11.627 4.577 -8.086 1.00 0.00 C ATOM 255 CD GLU A 107 -12.173 4.028 -9.390 1.00 0.00 C ATOM 256 OE1 GLU A 107 -11.447 3.270 -10.068 1.00 0.00 O ATOM 257 OE2 GLU A 107 -13.328 4.357 -9.735 1.00 0.00 O ATOM 0 H GLU A 107 -7.904 3.619 -7.067 1.00 0.00 H new ATOM 0 HA GLU A 107 -9.628 5.757 -6.576 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -9.568 4.361 -8.627 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -10.220 3.006 -7.726 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -12.285 4.283 -7.269 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -11.633 5.666 -8.124 1.00 0.00 H new ATOM 264 N ASN A 108 -11.256 5.209 -4.786 1.00 0.00 N ATOM 265 CA ASN A 108 -12.111 4.950 -3.634 1.00 0.00 C ATOM 266 C ASN A 108 -11.284 4.454 -2.452 1.00 0.00 C ATOM 267 O ASN A 108 -11.675 3.516 -1.755 1.00 0.00 O ATOM 268 CB ASN A 108 -13.194 3.927 -3.988 1.00 0.00 C ATOM 269 CG ASN A 108 -14.146 4.437 -5.054 1.00 0.00 C ATOM 270 OD1 ASN A 108 -14.224 3.721 -6.170 1.00 0.00 O flip ATOM 271 ND2 ASN A 108 -14.805 5.461 -4.875 1.00 0.00 N flip ATOM 0 H ASN A 108 -11.308 6.163 -5.144 1.00 0.00 H new ATOM 0 HA ASN A 108 -12.594 5.885 -3.351 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -12.722 3.008 -4.336 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -13.759 3.675 -3.091 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -14.714 5.980 -4.002 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -15.443 5.790 -5.600 1.00 0.00 H new ATOM 278 N GLY A 109 -10.136 5.090 -2.236 1.00 0.00 N ATOM 279 CA GLY A 109 -9.266 4.701 -1.141 1.00 0.00 C ATOM 280 C GLY A 109 -8.025 5.568 -1.049 1.00 0.00 C ATOM 281 O GLY A 109 -7.771 6.398 -1.922 1.00 0.00 O ATOM 0 H GLY A 109 -9.793 5.868 -2.800 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -9.818 4.762 -0.203 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -8.969 3.660 -1.269 1.00 0.00 H new ATOM 285 N LYS A 110 -7.250 5.374 0.014 1.00 0.00 N ATOM 286 CA LYS A 110 -6.026 6.140 0.225 1.00 0.00 C ATOM 287 C LYS A 110 -4.936 5.252 0.808 1.00 0.00 C ATOM 288 O LYS A 110 -5.217 4.331 1.576 1.00 0.00 O ATOM 289 CB LYS A 110 -6.285 7.320 1.160 1.00 0.00 C ATOM 290 CG LYS A 110 -5.095 8.257 1.309 1.00 0.00 C ATOM 291 CD LYS A 110 -4.764 8.951 -0.003 1.00 0.00 C ATOM 292 CE LYS A 110 -3.560 9.867 0.136 1.00 0.00 C ATOM 293 NZ LYS A 110 -2.335 9.121 0.535 1.00 0.00 N ATOM 0 H LYS A 110 -7.449 4.691 0.745 1.00 0.00 H new ATOM 0 HA LYS A 110 -5.694 6.521 -0.741 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -7.138 7.887 0.787 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -6.561 6.939 2.143 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -5.312 9.004 2.072 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -4.228 7.693 1.653 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -4.566 8.203 -0.771 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -5.625 9.530 -0.336 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -3.382 10.377 -0.810 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -3.774 10.637 0.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -1.544 9.399 -0.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -2.100 9.343 1.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -2.505 8.099 0.441 1.00 0.00 H new ATOM 307 N VAL A 111 -3.695 5.528 0.435 1.00 0.00 N ATOM 308 CA VAL A 111 -2.562 4.746 0.917 1.00 0.00 C ATOM 309 C VAL A 111 -1.592 5.607 1.720 1.00 0.00 C ATOM 310 O VAL A 111 -1.139 6.653 1.254 1.00 0.00 O ATOM 311 CB VAL A 111 -1.804 4.085 -0.252 1.00 0.00 C ATOM 312 CG1 VAL A 111 -0.644 3.250 0.266 1.00 0.00 C ATOM 313 CG2 VAL A 111 -2.750 3.234 -1.085 1.00 0.00 C ATOM 0 H VAL A 111 -3.445 6.287 -0.199 1.00 0.00 H new ATOM 0 HA VAL A 111 -2.967 3.970 1.566 1.00 0.00 H new ATOM 0 HB VAL A 111 -1.399 4.871 -0.889 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -0.122 2.792 -0.574 1.00 0.00 H new ATOM 0 HG12 VAL A 111 0.046 3.888 0.818 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -1.023 2.470 0.926 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -2.199 2.775 -1.906 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -3.185 2.455 -0.459 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -3.545 3.862 -1.488 1.00 0.00 H new ATOM 323 N PHE A 112 -1.273 5.155 2.930 1.00 0.00 N ATOM 324 CA PHE A 112 -0.350 5.876 3.803 1.00 0.00 C ATOM 325 C PHE A 112 1.091 5.452 3.538 1.00 0.00 C ATOM 326 O PHE A 112 1.441 4.285 3.706 1.00 0.00 O ATOM 327 CB PHE A 112 -0.701 5.624 5.275 1.00 0.00 C ATOM 328 CG PHE A 112 -2.024 6.201 5.704 1.00 0.00 C ATOM 329 CD1 PHE A 112 -3.185 5.926 4.997 1.00 0.00 C ATOM 330 CD2 PHE A 112 -2.105 7.014 6.824 1.00 0.00 C ATOM 331 CE1 PHE A 112 -4.399 6.454 5.397 1.00 0.00 C ATOM 332 CE2 PHE A 112 -3.315 7.543 7.229 1.00 0.00 C ATOM 333 CZ PHE A 112 -4.464 7.263 6.514 1.00 0.00 C ATOM 0 H PHE A 112 -1.641 4.291 3.329 1.00 0.00 H new ATOM 0 HA PHE A 112 -0.446 6.940 3.589 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -0.711 4.549 5.455 1.00 0.00 H new ATOM 0 HB3 PHE A 112 0.086 6.045 5.901 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -3.141 5.292 4.124 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -1.211 7.237 7.387 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -5.295 6.234 4.836 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -3.363 8.175 8.104 1.00 0.00 H new ATOM 0 HZ PHE A 112 -5.411 7.676 6.828 1.00 0.00 H new ATOM 343 N LEU A 113 1.924 6.405 3.128 1.00 0.00 N ATOM 344 CA LEU A 113 3.330 6.126 2.847 1.00 0.00 C ATOM 345 C LEU A 113 4.166 6.159 4.122 1.00 0.00 C ATOM 346 O LEU A 113 3.885 6.931 5.039 1.00 0.00 O ATOM 347 CB LEU A 113 3.890 7.133 1.837 1.00 0.00 C ATOM 348 CG LEU A 113 5.370 6.943 1.488 1.00 0.00 C ATOM 349 CD1 LEU A 113 5.605 5.569 0.875 1.00 0.00 C ATOM 350 CD2 LEU A 113 5.844 8.036 0.542 1.00 0.00 C ATOM 0 H LEU A 113 1.650 7.377 2.983 1.00 0.00 H new ATOM 0 HA LEU A 113 3.386 5.124 2.422 1.00 0.00 H new ATOM 0 HB2 LEU A 113 3.305 7.069 0.920 1.00 0.00 H new ATOM 0 HB3 LEU A 113 3.752 8.139 2.234 1.00 0.00 H new ATOM 0 HG LEU A 113 5.948 7.012 2.409 1.00 0.00 H new ATOM 0 HD11 LEU A 113 6.662 5.454 0.634 1.00 0.00 H new ATOM 0 HD12 LEU A 113 5.309 4.798 1.586 1.00 0.00 H new ATOM 0 HD13 LEU A 113 5.013 5.470 -0.035 1.00 0.00 H new ATOM 0 HD21 LEU A 113 6.897 7.882 0.307 1.00 0.00 H new ATOM 0 HD22 LEU A 113 5.258 8.001 -0.377 1.00 0.00 H new ATOM 0 HD23 LEU A 113 5.716 9.009 1.017 1.00 0.00 H new ATOM 362 N THR A 114 5.195 5.319 4.168 1.00 0.00 N ATOM 363 CA THR A 114 6.080 5.249 5.326 1.00 0.00 C ATOM 364 C THR A 114 7.393 4.557 4.960 1.00 0.00 C ATOM 365 O THR A 114 7.688 3.461 5.440 1.00 0.00 O ATOM 366 CB THR A 114 5.418 4.498 6.501 1.00 0.00 C ATOM 367 OG1 THR A 114 4.143 5.077 6.800 1.00 0.00 O ATOM 368 CG2 THR A 114 6.297 4.548 7.743 1.00 0.00 C ATOM 0 H THR A 114 5.437 4.675 3.415 1.00 0.00 H new ATOM 0 HA THR A 114 6.283 6.273 5.638 1.00 0.00 H new ATOM 0 HB THR A 114 5.288 3.457 6.204 1.00 0.00 H new ATOM 0 HG1 THR A 114 4.103 5.986 6.436 1.00 0.00 H new ATOM 0 HG21 THR A 114 5.808 4.012 8.556 1.00 0.00 H new ATOM 0 HG22 THR A 114 7.258 4.082 7.527 1.00 0.00 H new ATOM 0 HG23 THR A 114 6.455 5.586 8.036 1.00 0.00 H new ATOM 376 N GLY A 115 8.176 5.202 4.098 1.00 0.00 N ATOM 377 CA GLY A 115 9.443 4.629 3.675 1.00 0.00 C ATOM 378 C GLY A 115 10.388 5.659 3.087 1.00 0.00 C ATOM 379 O GLY A 115 11.585 5.645 3.374 1.00 0.00 O ATOM 0 H GLY A 115 7.956 6.109 3.686 1.00 0.00 H new ATOM 0 HA2 GLY A 115 9.922 4.149 4.528 1.00 0.00 H new ATOM 0 HA3 GLY A 115 9.255 3.851 2.935 1.00 0.00 H new ATOM 383 N GLY A 116 9.855 6.555 2.262 1.00 0.00 N ATOM 384 CA GLY A 116 10.680 7.582 1.650 1.00 0.00 C ATOM 385 C GLY A 116 11.511 7.053 0.494 1.00 0.00 C ATOM 386 O GLY A 116 10.966 6.568 -0.497 1.00 0.00 O ATOM 0 H GLY A 116 8.868 6.589 2.006 1.00 0.00 H new ATOM 0 HA2 GLY A 116 10.042 8.391 1.294 1.00 0.00 H new ATOM 0 HA3 GLY A 116 11.342 8.007 2.404 1.00 0.00 H new ATOM 390 N ASP A 117 12.833 7.154 0.617 1.00 0.00 N ATOM 391 CA ASP A 117 13.735 6.688 -0.433 1.00 0.00 C ATOM 392 C ASP A 117 14.932 5.947 0.161 1.00 0.00 C ATOM 393 O ASP A 117 16.081 6.194 -0.207 1.00 0.00 O ATOM 394 CB ASP A 117 14.214 7.870 -1.282 1.00 0.00 C ATOM 395 CG ASP A 117 15.012 7.432 -2.496 1.00 0.00 C ATOM 396 OD1 ASP A 117 15.181 6.209 -2.690 1.00 0.00 O ATOM 397 OD2 ASP A 117 15.466 8.313 -3.257 1.00 0.00 O ATOM 0 H ASP A 117 13.302 7.553 1.430 1.00 0.00 H new ATOM 0 HA ASP A 117 13.186 5.993 -1.068 1.00 0.00 H new ATOM 0 HB2 ASP A 117 13.351 8.451 -1.609 1.00 0.00 H new ATOM 0 HB3 ASP A 117 14.827 8.529 -0.667 1.00 0.00 H new ATOM 402 N LEU A 118 14.648 5.029 1.075 1.00 0.00 N ATOM 403 CA LEU A 118 15.684 4.230 1.721 1.00 0.00 C ATOM 404 C LEU A 118 16.188 3.151 0.765 1.00 0.00 C ATOM 405 O LEU A 118 15.493 2.795 -0.181 1.00 0.00 O ATOM 406 CB LEU A 118 15.134 3.583 2.995 1.00 0.00 C ATOM 407 CG LEU A 118 14.566 4.559 4.029 1.00 0.00 C ATOM 408 CD1 LEU A 118 13.911 3.798 5.173 1.00 0.00 C ATOM 409 CD2 LEU A 118 15.655 5.483 4.551 1.00 0.00 C ATOM 0 H LEU A 118 13.701 4.817 1.389 1.00 0.00 H new ATOM 0 HA LEU A 118 16.515 4.884 1.987 1.00 0.00 H new ATOM 0 HB2 LEU A 118 14.351 2.878 2.716 1.00 0.00 H new ATOM 0 HB3 LEU A 118 15.931 3.006 3.463 1.00 0.00 H new ATOM 0 HG LEU A 118 13.806 5.172 3.544 1.00 0.00 H new ATOM 0 HD11 LEU A 118 13.512 4.506 5.900 1.00 0.00 H new ATOM 0 HD12 LEU A 118 13.100 3.182 4.783 1.00 0.00 H new ATOM 0 HD13 LEU A 118 14.651 3.160 5.656 1.00 0.00 H new ATOM 0 HD21 LEU A 118 15.230 6.168 5.284 1.00 0.00 H new ATOM 0 HD22 LEU A 118 16.441 4.891 5.020 1.00 0.00 H new ATOM 0 HD23 LEU A 118 16.076 6.053 3.723 1.00 0.00 H new ATOM 421 N PRO A 119 17.403 2.620 0.994 1.00 0.00 N ATOM 422 CA PRO A 119 17.973 1.576 0.136 1.00 0.00 C ATOM 423 C PRO A 119 16.965 0.465 -0.143 1.00 0.00 C ATOM 424 O PRO A 119 16.463 -0.173 0.782 1.00 0.00 O ATOM 425 CB PRO A 119 19.144 1.043 0.963 1.00 0.00 C ATOM 426 CG PRO A 119 19.553 2.185 1.830 1.00 0.00 C ATOM 427 CD PRO A 119 18.308 2.992 2.097 1.00 0.00 C ATOM 0 HA PRO A 119 18.267 1.955 -0.843 1.00 0.00 H new ATOM 0 HB2 PRO A 119 18.846 0.181 1.560 1.00 0.00 H new ATOM 0 HB3 PRO A 119 19.965 0.719 0.323 1.00 0.00 H new ATOM 0 HG2 PRO A 119 19.989 1.827 2.762 1.00 0.00 H new ATOM 0 HG3 PRO A 119 20.311 2.794 1.337 1.00 0.00 H new ATOM 0 HD2 PRO A 119 17.875 2.750 3.068 1.00 0.00 H new ATOM 0 HD3 PRO A 119 18.518 4.062 2.099 1.00 0.00 H new ATOM 435 N ALA A 120 16.659 0.253 -1.422 1.00 0.00 N ATOM 436 CA ALA A 120 15.690 -0.764 -1.823 1.00 0.00 C ATOM 437 C ALA A 120 14.390 -0.584 -1.050 1.00 0.00 C ATOM 438 O ALA A 120 13.682 -1.548 -0.760 1.00 0.00 O ATOM 439 CB ALA A 120 16.254 -2.160 -1.603 1.00 0.00 C ATOM 0 H ALA A 120 17.069 0.773 -2.198 1.00 0.00 H new ATOM 0 HA ALA A 120 15.483 -0.646 -2.887 1.00 0.00 H new ATOM 0 HB1 ALA A 120 15.517 -2.903 -1.908 1.00 0.00 H new ATOM 0 HB2 ALA A 120 17.160 -2.284 -2.196 1.00 0.00 H new ATOM 0 HB3 ALA A 120 16.490 -2.295 -0.547 1.00 0.00 H new ATOM 445 N LEU A 121 14.096 0.670 -0.718 1.00 0.00 N ATOM 446 CA LEU A 121 12.896 1.027 0.028 1.00 0.00 C ATOM 447 C LEU A 121 12.653 0.037 1.167 1.00 0.00 C ATOM 448 O LEU A 121 11.515 -0.316 1.472 1.00 0.00 O ATOM 449 CB LEU A 121 11.688 1.090 -0.910 1.00 0.00 C ATOM 450 CG LEU A 121 10.463 1.809 -0.343 1.00 0.00 C ATOM 451 CD1 LEU A 121 10.851 3.173 0.213 1.00 0.00 C ATOM 452 CD2 LEU A 121 9.387 1.951 -1.407 1.00 0.00 C ATOM 0 H LEU A 121 14.685 1.467 -0.960 1.00 0.00 H new ATOM 0 HA LEU A 121 13.041 2.014 0.468 1.00 0.00 H new ATOM 0 HB2 LEU A 121 11.989 1.589 -1.831 1.00 0.00 H new ATOM 0 HB3 LEU A 121 11.402 0.073 -1.177 1.00 0.00 H new ATOM 0 HG LEU A 121 10.061 1.209 0.473 1.00 0.00 H new ATOM 0 HD11 LEU A 121 9.966 3.669 0.612 1.00 0.00 H new ATOM 0 HD12 LEU A 121 11.585 3.046 1.009 1.00 0.00 H new ATOM 0 HD13 LEU A 121 11.280 3.782 -0.583 1.00 0.00 H new ATOM 0 HD21 LEU A 121 8.523 2.465 -0.985 1.00 0.00 H new ATOM 0 HD22 LEU A 121 9.778 2.527 -2.245 1.00 0.00 H new ATOM 0 HD23 LEU A 121 9.087 0.963 -1.755 1.00 0.00 H new ATOM 464 N ASP A 122 13.743 -0.404 1.789 1.00 0.00 N ATOM 465 CA ASP A 122 13.675 -1.354 2.895 1.00 0.00 C ATOM 466 C ASP A 122 13.094 -0.696 4.143 1.00 0.00 C ATOM 467 O ASP A 122 13.381 0.466 4.434 1.00 0.00 O ATOM 468 CB ASP A 122 15.072 -1.907 3.194 1.00 0.00 C ATOM 469 CG ASP A 122 15.059 -3.017 4.228 1.00 0.00 C ATOM 470 OD1 ASP A 122 13.958 -3.413 4.665 1.00 0.00 O ATOM 471 OD2 ASP A 122 16.152 -3.496 4.595 1.00 0.00 O ATOM 0 H ASP A 122 14.690 -0.116 1.543 1.00 0.00 H new ATOM 0 HA ASP A 122 13.018 -2.174 2.605 1.00 0.00 H new ATOM 0 HB2 ASP A 122 15.514 -2.282 2.271 1.00 0.00 H new ATOM 0 HB3 ASP A 122 15.710 -1.097 3.546 1.00 0.00 H new ATOM 476 N GLY A 123 12.269 -1.443 4.872 1.00 0.00 N ATOM 477 CA GLY A 123 11.655 -0.911 6.075 1.00 0.00 C ATOM 478 C GLY A 123 10.359 -0.193 5.773 1.00 0.00 C ATOM 479 O GLY A 123 9.486 -0.075 6.633 1.00 0.00 O ATOM 0 H GLY A 123 12.015 -2.406 4.651 1.00 0.00 H new ATOM 0 HA2 GLY A 123 11.466 -1.724 6.776 1.00 0.00 H new ATOM 0 HA3 GLY A 123 12.346 -0.224 6.563 1.00 0.00 H new ATOM 483 N ALA A 124 10.239 0.284 4.540 1.00 0.00 N ATOM 484 CA ALA A 124 9.045 0.995 4.102 1.00 0.00 C ATOM 485 C ALA A 124 7.799 0.137 4.282 1.00 0.00 C ATOM 486 O ALA A 124 7.872 -1.091 4.260 1.00 0.00 O ATOM 487 CB ALA A 124 9.185 1.416 2.651 1.00 0.00 C ATOM 0 H ALA A 124 10.958 0.190 3.823 1.00 0.00 H new ATOM 0 HA ALA A 124 8.937 1.886 4.721 1.00 0.00 H new ATOM 0 HB1 ALA A 124 8.286 1.946 2.338 1.00 0.00 H new ATOM 0 HB2 ALA A 124 10.049 2.072 2.544 1.00 0.00 H new ATOM 0 HB3 ALA A 124 9.321 0.533 2.027 1.00 0.00 H new ATOM 493 N ARG A 125 6.658 0.792 4.462 1.00 0.00 N ATOM 494 CA ARG A 125 5.393 0.093 4.645 1.00 0.00 C ATOM 495 C ARG A 125 4.219 1.050 4.471 1.00 0.00 C ATOM 496 O ARG A 125 4.223 2.155 5.011 1.00 0.00 O ATOM 497 CB ARG A 125 5.351 -0.563 6.027 1.00 0.00 C ATOM 498 CG ARG A 125 5.593 0.409 7.171 1.00 0.00 C ATOM 499 CD ARG A 125 5.658 -0.314 8.507 1.00 0.00 C ATOM 500 NE ARG A 125 5.851 0.607 9.625 1.00 0.00 N ATOM 501 CZ ARG A 125 6.928 1.375 9.776 1.00 0.00 C ATOM 502 NH1 ARG A 125 7.918 1.322 8.894 1.00 0.00 N ATOM 503 NH2 ARG A 125 7.018 2.193 10.816 1.00 0.00 N ATOM 0 H ARG A 125 6.584 1.809 4.485 1.00 0.00 H new ATOM 0 HA ARG A 125 5.312 -0.684 3.885 1.00 0.00 H new ATOM 0 HB2 ARG A 125 4.380 -1.038 6.165 1.00 0.00 H new ATOM 0 HB3 ARG A 125 6.101 -1.353 6.068 1.00 0.00 H new ATOM 0 HG2 ARG A 125 6.525 0.948 7.001 1.00 0.00 H new ATOM 0 HG3 ARG A 125 4.795 1.151 7.195 1.00 0.00 H new ATOM 0 HD2 ARG A 125 4.738 -0.878 8.658 1.00 0.00 H new ATOM 0 HD3 ARG A 125 6.475 -1.036 8.488 1.00 0.00 H new ATOM 0 HE ARG A 125 5.117 0.665 10.331 1.00 0.00 H new ATOM 0 HH11 ARG A 125 7.856 0.691 8.095 1.00 0.00 H new ATOM 0 HH12 ARG A 125 8.741 1.913 9.015 1.00 0.00 H new ATOM 0 HH21 ARG A 125 6.262 2.234 11.500 1.00 0.00 H new ATOM 0 HH22 ARG A 125 7.843 2.782 10.932 1.00 0.00 H new ATOM 517 N VAL A 126 3.223 0.626 3.699 1.00 0.00 N ATOM 518 CA VAL A 126 2.053 1.456 3.442 1.00 0.00 C ATOM 519 C VAL A 126 0.767 0.781 3.906 1.00 0.00 C ATOM 520 O VAL A 126 0.613 -0.438 3.796 1.00 0.00 O ATOM 521 CB VAL A 126 1.926 1.797 1.946 1.00 0.00 C ATOM 522 CG1 VAL A 126 3.146 2.570 1.470 1.00 0.00 C ATOM 523 CG2 VAL A 126 1.726 0.534 1.122 1.00 0.00 C ATOM 0 H VAL A 126 3.203 -0.286 3.242 1.00 0.00 H new ATOM 0 HA VAL A 126 2.196 2.374 4.012 1.00 0.00 H new ATOM 0 HB VAL A 126 1.049 2.430 1.810 1.00 0.00 H new ATOM 0 HG11 VAL A 126 3.039 2.802 0.410 1.00 0.00 H new ATOM 0 HG12 VAL A 126 3.234 3.496 2.038 1.00 0.00 H new ATOM 0 HG13 VAL A 126 4.041 1.966 1.620 1.00 0.00 H new ATOM 0 HG21 VAL A 126 1.639 0.797 0.068 1.00 0.00 H new ATOM 0 HG22 VAL A 126 2.579 -0.130 1.261 1.00 0.00 H new ATOM 0 HG23 VAL A 126 0.817 0.028 1.446 1.00 0.00 H new ATOM 533 N GLU A 127 -0.157 1.588 4.424 1.00 0.00 N ATOM 534 CA GLU A 127 -1.438 1.080 4.903 1.00 0.00 C ATOM 535 C GLU A 127 -2.575 1.489 3.968 1.00 0.00 C ATOM 536 O GLU A 127 -2.802 2.676 3.735 1.00 0.00 O ATOM 537 CB GLU A 127 -1.716 1.601 6.317 1.00 0.00 C ATOM 538 CG GLU A 127 -3.061 1.163 6.880 1.00 0.00 C ATOM 539 CD GLU A 127 -3.184 -0.342 7.031 1.00 0.00 C ATOM 540 OE1 GLU A 127 -2.205 -1.055 6.727 1.00 0.00 O ATOM 541 OE2 GLU A 127 -4.262 -0.808 7.457 1.00 0.00 O ATOM 0 H GLU A 127 -0.041 2.597 4.522 1.00 0.00 H new ATOM 0 HA GLU A 127 -1.384 -0.008 4.923 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -0.925 1.257 6.983 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -1.674 2.690 6.308 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -3.211 1.633 7.852 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -3.856 1.522 6.226 1.00 0.00 H new ATOM 548 N PHE A 128 -3.287 0.498 3.443 1.00 0.00 N ATOM 549 CA PHE A 128 -4.406 0.750 2.539 1.00 0.00 C ATOM 550 C PHE A 128 -5.681 1.046 3.322 1.00 0.00 C ATOM 551 O PHE A 128 -5.830 0.617 4.467 1.00 0.00 O ATOM 552 CB PHE A 128 -4.630 -0.444 1.607 1.00 0.00 C ATOM 553 CG PHE A 128 -3.502 -0.683 0.641 1.00 0.00 C ATOM 554 CD1 PHE A 128 -2.212 -0.909 1.094 1.00 0.00 C ATOM 555 CD2 PHE A 128 -3.737 -0.679 -0.724 1.00 0.00 C ATOM 556 CE1 PHE A 128 -1.177 -1.128 0.204 1.00 0.00 C ATOM 557 CE2 PHE A 128 -2.706 -0.897 -1.619 1.00 0.00 C ATOM 558 CZ PHE A 128 -1.425 -1.122 -1.154 1.00 0.00 C ATOM 0 H PHE A 128 -3.110 -0.489 3.628 1.00 0.00 H new ATOM 0 HA PHE A 128 -4.157 1.623 1.936 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -4.775 -1.341 2.210 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -5.550 -0.286 1.044 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -2.013 -0.914 2.155 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -4.737 -0.504 -1.093 1.00 0.00 H new ATOM 0 HE1 PHE A 128 -0.176 -1.303 0.570 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -2.902 -0.891 -2.681 1.00 0.00 H new ATOM 0 HZ PHE A 128 -0.619 -1.293 -1.852 1.00 0.00 H new ATOM 568 N ARG A 129 -6.599 1.780 2.700 1.00 0.00 N ATOM 569 CA ARG A 129 -7.860 2.132 3.346 1.00 0.00 C ATOM 570 C ARG A 129 -8.927 2.469 2.308 1.00 0.00 C ATOM 571 O ARG A 129 -8.712 3.306 1.434 1.00 0.00 O ATOM 572 CB ARG A 129 -7.657 3.324 4.283 1.00 0.00 C ATOM 573 CG ARG A 129 -8.898 3.710 5.077 1.00 0.00 C ATOM 574 CD ARG A 129 -9.205 2.706 6.179 1.00 0.00 C ATOM 575 NE ARG A 129 -9.560 1.389 5.654 1.00 0.00 N ATOM 576 CZ ARG A 129 -9.880 0.351 6.422 1.00 0.00 C ATOM 577 NH1 ARG A 129 -9.899 0.479 7.743 1.00 0.00 N ATOM 578 NH2 ARG A 129 -10.187 -0.815 5.871 1.00 0.00 N ATOM 0 H ARG A 129 -6.494 2.142 1.752 1.00 0.00 H new ATOM 0 HA ARG A 129 -8.197 1.272 3.924 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -6.851 3.092 4.979 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -7.333 4.183 3.695 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -8.755 4.697 5.516 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -9.752 3.781 4.403 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -8.337 2.611 6.832 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -10.025 3.083 6.791 1.00 0.00 H new ATOM 0 HE ARG A 129 -9.563 1.258 4.642 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -9.668 1.375 8.172 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -10.145 -0.319 8.329 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -10.178 -0.918 4.856 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -10.432 -1.610 6.462 1.00 0.00 H new ATOM 592 N CYS A 130 -10.079 1.813 2.416 1.00 0.00 N ATOM 593 CA CYS A 130 -11.184 2.046 1.491 1.00 0.00 C ATOM 594 C CYS A 130 -12.088 3.169 1.994 1.00 0.00 C ATOM 595 O CYS A 130 -12.307 3.310 3.197 1.00 0.00 O ATOM 596 CB CYS A 130 -12.000 0.765 1.297 1.00 0.00 C ATOM 597 SG CYS A 130 -11.039 -0.644 0.652 1.00 0.00 S ATOM 0 H CYS A 130 -10.272 1.116 3.135 1.00 0.00 H new ATOM 0 HA CYS A 130 -10.762 2.345 0.532 1.00 0.00 H new ATOM 0 HB2 CYS A 130 -12.443 0.482 2.252 1.00 0.00 H new ATOM 0 HB3 CYS A 130 -12.823 0.972 0.613 1.00 0.00 H new ATOM 602 N ASP A 131 -12.608 3.966 1.064 1.00 0.00 N ATOM 603 CA ASP A 131 -13.490 5.080 1.406 1.00 0.00 C ATOM 604 C ASP A 131 -14.665 4.603 2.259 1.00 0.00 C ATOM 605 O ASP A 131 -15.110 3.465 2.124 1.00 0.00 O ATOM 606 CB ASP A 131 -14.009 5.754 0.135 1.00 0.00 C ATOM 607 CG ASP A 131 -14.854 4.822 -0.711 1.00 0.00 C ATOM 608 OD1 ASP A 131 -14.340 3.760 -1.118 1.00 0.00 O ATOM 609 OD2 ASP A 131 -16.030 5.155 -0.967 1.00 0.00 O ATOM 0 H ASP A 131 -12.433 3.861 0.065 1.00 0.00 H new ATOM 0 HA ASP A 131 -12.914 5.803 1.984 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -14.599 6.629 0.406 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -13.164 6.110 -0.455 1.00 0.00 H new ATOM 614 N PRO A 132 -15.176 5.472 3.157 1.00 0.00 N ATOM 615 CA PRO A 132 -16.303 5.139 4.044 1.00 0.00 C ATOM 616 C PRO A 132 -17.530 4.641 3.283 1.00 0.00 C ATOM 617 O PRO A 132 -18.494 5.383 3.084 1.00 0.00 O ATOM 618 CB PRO A 132 -16.612 6.463 4.747 1.00 0.00 C ATOM 619 CG PRO A 132 -15.339 7.233 4.682 1.00 0.00 C ATOM 620 CD PRO A 132 -14.690 6.846 3.383 1.00 0.00 C ATOM 0 HA PRO A 132 -16.048 4.327 4.725 1.00 0.00 H new ATOM 0 HB2 PRO A 132 -17.423 6.996 4.249 1.00 0.00 H new ATOM 0 HB3 PRO A 132 -16.924 6.300 5.779 1.00 0.00 H new ATOM 0 HG2 PRO A 132 -15.529 8.306 4.720 1.00 0.00 H new ATOM 0 HG3 PRO A 132 -14.694 6.994 5.528 1.00 0.00 H new ATOM 0 HD2 PRO A 132 -14.982 7.514 2.573 1.00 0.00 H new ATOM 0 HD3 PRO A 132 -13.603 6.882 3.450 1.00 0.00 H new ATOM 628 N ASP A 133 -17.481 3.381 2.863 1.00 0.00 N ATOM 629 CA ASP A 133 -18.571 2.758 2.124 1.00 0.00 C ATOM 630 C ASP A 133 -18.198 1.325 1.769 1.00 0.00 C ATOM 631 O ASP A 133 -19.013 0.409 1.872 1.00 0.00 O ATOM 632 CB ASP A 133 -18.884 3.550 0.849 1.00 0.00 C ATOM 633 CG ASP A 133 -20.079 2.997 0.094 1.00 0.00 C ATOM 634 OD1 ASP A 133 -20.697 2.028 0.583 1.00 0.00 O ATOM 635 OD2 ASP A 133 -20.399 3.538 -0.985 1.00 0.00 O ATOM 0 H ASP A 133 -16.685 2.764 3.026 1.00 0.00 H new ATOM 0 HA ASP A 133 -19.461 2.754 2.753 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -19.075 4.591 1.110 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -18.011 3.540 0.197 1.00 0.00 H new ATOM 640 N PHE A 134 -16.948 1.142 1.358 1.00 0.00 N ATOM 641 CA PHE A 134 -16.439 -0.173 0.994 1.00 0.00 C ATOM 642 C PHE A 134 -15.453 -0.658 2.051 1.00 0.00 C ATOM 643 O PHE A 134 -14.688 0.134 2.601 1.00 0.00 O ATOM 644 CB PHE A 134 -15.751 -0.126 -0.375 1.00 0.00 C ATOM 645 CG PHE A 134 -16.593 0.472 -1.469 1.00 0.00 C ATOM 646 CD1 PHE A 134 -16.933 1.816 -1.450 1.00 0.00 C ATOM 647 CD2 PHE A 134 -17.033 -0.311 -2.525 1.00 0.00 C ATOM 648 CE1 PHE A 134 -17.698 2.367 -2.460 1.00 0.00 C ATOM 649 CE2 PHE A 134 -17.798 0.236 -3.539 1.00 0.00 C ATOM 650 CZ PHE A 134 -18.131 1.576 -3.506 1.00 0.00 C ATOM 0 H PHE A 134 -16.265 1.894 1.269 1.00 0.00 H new ATOM 0 HA PHE A 134 -17.279 -0.866 0.938 1.00 0.00 H new ATOM 0 HB2 PHE A 134 -14.829 0.449 -0.286 1.00 0.00 H new ATOM 0 HB3 PHE A 134 -15.469 -1.139 -0.662 1.00 0.00 H new ATOM 0 HD1 PHE A 134 -16.596 2.440 -0.636 1.00 0.00 H new ATOM 0 HD2 PHE A 134 -16.776 -1.359 -2.556 1.00 0.00 H new ATOM 0 HE1 PHE A 134 -17.957 3.415 -2.432 1.00 0.00 H new ATOM 0 HE2 PHE A 134 -18.135 -0.384 -4.356 1.00 0.00 H new ATOM 0 HZ PHE A 134 -18.729 2.004 -4.297 1.00 0.00 H new ATOM 660 N HIS A 135 -15.472 -1.955 2.339 1.00 0.00 N ATOM 661 CA HIS A 135 -14.570 -2.515 3.339 1.00 0.00 C ATOM 662 C HIS A 135 -13.393 -3.225 2.676 1.00 0.00 C ATOM 663 O HIS A 135 -13.568 -4.034 1.765 1.00 0.00 O ATOM 664 CB HIS A 135 -15.323 -3.475 4.267 1.00 0.00 C ATOM 665 CG HIS A 135 -15.949 -4.639 3.565 1.00 0.00 C ATOM 666 ND1 HIS A 135 -16.828 -4.503 2.513 1.00 0.00 N ATOM 667 CD2 HIS A 135 -15.825 -5.970 3.779 1.00 0.00 C ATOM 668 CE1 HIS A 135 -17.219 -5.698 2.109 1.00 0.00 C ATOM 669 NE2 HIS A 135 -16.625 -6.606 2.862 1.00 0.00 N ATOM 0 H HIS A 135 -16.095 -2.632 1.899 1.00 0.00 H new ATOM 0 HA HIS A 135 -14.177 -1.693 3.937 1.00 0.00 H new ATOM 0 HB2 HIS A 135 -14.632 -3.849 5.023 1.00 0.00 H new ATOM 0 HB3 HIS A 135 -16.101 -2.920 4.792 1.00 0.00 H new ATOM 0 HD2 HIS A 135 -15.211 -6.443 4.531 1.00 0.00 H new ATOM 0 HE1 HIS A 135 -17.907 -5.898 1.301 1.00 0.00 H new ATOM 0 HE2 HIS A 135 -16.742 -7.616 2.776 1.00 0.00 H new ATOM 678 N LEU A 136 -12.189 -2.899 3.141 1.00 0.00 N ATOM 679 CA LEU A 136 -10.965 -3.483 2.604 1.00 0.00 C ATOM 680 C LEU A 136 -10.846 -4.954 2.992 1.00 0.00 C ATOM 681 O LEU A 136 -10.945 -5.303 4.170 1.00 0.00 O ATOM 682 CB LEU A 136 -9.756 -2.695 3.111 1.00 0.00 C ATOM 683 CG LEU A 136 -8.396 -3.166 2.596 1.00 0.00 C ATOM 684 CD1 LEU A 136 -8.387 -3.233 1.078 1.00 0.00 C ATOM 685 CD2 LEU A 136 -7.299 -2.241 3.098 1.00 0.00 C ATOM 0 H LEU A 136 -12.036 -2.228 3.894 1.00 0.00 H new ATOM 0 HA LEU A 136 -10.998 -3.428 1.516 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -9.886 -1.648 2.836 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -9.747 -2.739 4.200 1.00 0.00 H new ATOM 0 HG LEU A 136 -8.209 -4.170 2.978 1.00 0.00 H new ATOM 0 HD11 LEU A 136 -7.409 -3.570 0.734 1.00 0.00 H new ATOM 0 HD12 LEU A 136 -9.152 -3.933 0.740 1.00 0.00 H new ATOM 0 HD13 LEU A 136 -8.594 -2.244 0.669 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -6.334 -2.585 2.726 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -7.485 -1.228 2.741 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -7.290 -2.245 4.188 1.00 0.00 H new ATOM 697 N VAL A 137 -10.646 -5.813 1.996 1.00 0.00 N ATOM 698 CA VAL A 137 -10.529 -7.248 2.237 1.00 0.00 C ATOM 699 C VAL A 137 -9.411 -7.876 1.409 1.00 0.00 C ATOM 700 O VAL A 137 -9.675 -8.608 0.454 1.00 0.00 O ATOM 701 CB VAL A 137 -11.849 -7.972 1.915 1.00 0.00 C ATOM 702 CG1 VAL A 137 -11.754 -9.449 2.272 1.00 0.00 C ATOM 703 CG2 VAL A 137 -13.011 -7.316 2.644 1.00 0.00 C ATOM 0 H VAL A 137 -10.562 -5.541 1.017 1.00 0.00 H new ATOM 0 HA VAL A 137 -10.292 -7.365 3.295 1.00 0.00 H new ATOM 0 HB VAL A 137 -12.030 -7.893 0.843 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -12.697 -9.942 2.036 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -10.950 -9.911 1.699 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -11.546 -9.553 3.337 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -13.935 -7.842 2.404 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -12.838 -7.360 3.719 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -13.095 -6.275 2.333 1.00 0.00 H new ATOM 713 N GLY A 138 -8.162 -7.597 1.766 1.00 0.00 N ATOM 714 CA GLY A 138 -7.055 -8.165 1.022 1.00 0.00 C ATOM 715 C GLY A 138 -5.706 -7.817 1.608 1.00 0.00 C ATOM 716 O GLY A 138 -5.512 -7.884 2.822 1.00 0.00 O ATOM 0 H GLY A 138 -7.899 -6.996 2.547 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -7.163 -9.249 0.993 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -7.099 -7.812 -0.008 1.00 0.00 H new ATOM 720 N SER A 139 -4.774 -7.447 0.737 1.00 0.00 N ATOM 721 CA SER A 139 -3.432 -7.081 1.148 1.00 0.00 C ATOM 722 C SER A 139 -3.421 -5.686 1.763 1.00 0.00 C ATOM 723 O SER A 139 -2.650 -4.818 1.350 1.00 0.00 O ATOM 724 CB SER A 139 -2.495 -7.136 -0.053 1.00 0.00 C ATOM 725 OG SER A 139 -2.426 -8.447 -0.588 1.00 0.00 O ATOM 0 H SER A 139 -4.931 -7.394 -0.269 1.00 0.00 H new ATOM 0 HA SER A 139 -3.089 -7.789 1.903 1.00 0.00 H new ATOM 0 HB2 SER A 139 -2.842 -6.445 -0.821 1.00 0.00 H new ATOM 0 HB3 SER A 139 -1.499 -6.808 0.244 1.00 0.00 H new ATOM 0 HG SER A 139 -2.209 -8.400 -1.543 1.00 0.00 H new ATOM 731 N SER A 140 -4.290 -5.480 2.747 1.00 0.00 N ATOM 732 CA SER A 140 -4.403 -4.197 3.428 1.00 0.00 C ATOM 733 C SER A 140 -3.029 -3.650 3.798 1.00 0.00 C ATOM 734 O SER A 140 -2.777 -2.451 3.681 1.00 0.00 O ATOM 735 CB SER A 140 -5.265 -4.352 4.682 1.00 0.00 C ATOM 736 OG SER A 140 -5.398 -3.119 5.367 1.00 0.00 O ATOM 0 H SER A 140 -4.932 -6.193 3.093 1.00 0.00 H new ATOM 0 HA SER A 140 -4.876 -3.487 2.750 1.00 0.00 H new ATOM 0 HB2 SER A 140 -6.251 -4.726 4.405 1.00 0.00 H new ATOM 0 HB3 SER A 140 -4.818 -5.093 5.345 1.00 0.00 H new ATOM 0 HG SER A 140 -5.955 -3.246 6.164 1.00 0.00 H new ATOM 742 N ARG A 141 -2.143 -4.535 4.240 1.00 0.00 N ATOM 743 CA ARG A 141 -0.794 -4.138 4.621 1.00 0.00 C ATOM 744 C ARG A 141 0.209 -4.540 3.542 1.00 0.00 C ATOM 745 O ARG A 141 0.138 -5.643 3.001 1.00 0.00 O ATOM 746 CB ARG A 141 -0.411 -4.780 5.956 1.00 0.00 C ATOM 747 CG ARG A 141 0.798 -4.140 6.619 1.00 0.00 C ATOM 748 CD ARG A 141 0.513 -2.699 7.012 1.00 0.00 C ATOM 749 NE ARG A 141 1.611 -2.104 7.765 1.00 0.00 N ATOM 750 CZ ARG A 141 1.588 -0.865 8.245 1.00 0.00 C ATOM 751 NH1 ARG A 141 0.526 -0.094 8.049 1.00 0.00 N ATOM 752 NH2 ARG A 141 2.623 -0.395 8.925 1.00 0.00 N ATOM 0 H ARG A 141 -2.335 -5.531 4.343 1.00 0.00 H new ATOM 0 HA ARG A 141 -0.773 -3.054 4.730 1.00 0.00 H new ATOM 0 HB2 ARG A 141 -1.261 -4.719 6.635 1.00 0.00 H new ATOM 0 HB3 ARG A 141 -0.207 -5.839 5.795 1.00 0.00 H new ATOM 0 HG2 ARG A 141 1.076 -4.713 7.504 1.00 0.00 H new ATOM 0 HG3 ARG A 141 1.649 -4.172 5.938 1.00 0.00 H new ATOM 0 HD2 ARG A 141 0.329 -2.109 6.114 1.00 0.00 H new ATOM 0 HD3 ARG A 141 -0.398 -2.661 7.610 1.00 0.00 H new ATOM 0 HE ARG A 141 2.443 -2.670 7.933 1.00 0.00 H new ATOM 0 HH11 ARG A 141 -0.275 -0.452 7.529 1.00 0.00 H new ATOM 0 HH12 ARG A 141 0.511 0.857 8.418 1.00 0.00 H new ATOM 0 HH21 ARG A 141 3.441 -0.984 9.081 1.00 0.00 H new ATOM 0 HH22 ARG A 141 2.602 0.556 9.292 1.00 0.00 H new ATOM 766 N SER A 142 1.144 -3.645 3.236 1.00 0.00 N ATOM 767 CA SER A 142 2.159 -3.922 2.221 1.00 0.00 C ATOM 768 C SER A 142 3.501 -3.323 2.627 1.00 0.00 C ATOM 769 O SER A 142 3.723 -2.119 2.488 1.00 0.00 O ATOM 770 CB SER A 142 1.725 -3.354 0.868 1.00 0.00 C ATOM 771 OG SER A 142 2.698 -3.610 -0.129 1.00 0.00 O ATOM 0 H SER A 142 1.221 -2.726 3.673 1.00 0.00 H new ATOM 0 HA SER A 142 2.270 -5.003 2.134 1.00 0.00 H new ATOM 0 HB2 SER A 142 0.773 -3.796 0.573 1.00 0.00 H new ATOM 0 HB3 SER A 142 1.564 -2.280 0.956 1.00 0.00 H new ATOM 0 HG SER A 142 2.381 -4.324 -0.720 1.00 0.00 H new ATOM 777 N VAL A 143 4.393 -4.171 3.128 1.00 0.00 N ATOM 778 CA VAL A 143 5.714 -3.727 3.556 1.00 0.00 C ATOM 779 C VAL A 143 6.751 -3.958 2.462 1.00 0.00 C ATOM 780 O VAL A 143 6.850 -5.051 1.903 1.00 0.00 O ATOM 781 CB VAL A 143 6.160 -4.444 4.848 1.00 0.00 C ATOM 782 CG1 VAL A 143 6.204 -5.950 4.644 1.00 0.00 C ATOM 783 CG2 VAL A 143 7.510 -3.921 5.312 1.00 0.00 C ATOM 0 H VAL A 143 4.225 -5.170 3.248 1.00 0.00 H new ATOM 0 HA VAL A 143 5.641 -2.658 3.758 1.00 0.00 H new ATOM 0 HB VAL A 143 5.427 -4.231 5.626 1.00 0.00 H new ATOM 0 HG11 VAL A 143 6.521 -6.433 5.568 1.00 0.00 H new ATOM 0 HG12 VAL A 143 5.212 -6.309 4.368 1.00 0.00 H new ATOM 0 HG13 VAL A 143 6.910 -6.189 3.849 1.00 0.00 H new ATOM 0 HG21 VAL A 143 7.807 -4.439 6.224 1.00 0.00 H new ATOM 0 HG22 VAL A 143 8.255 -4.097 4.536 1.00 0.00 H new ATOM 0 HG23 VAL A 143 7.438 -2.851 5.509 1.00 0.00 H new ATOM 793 N CYS A 144 7.520 -2.922 2.156 1.00 0.00 N ATOM 794 CA CYS A 144 8.546 -3.010 1.127 1.00 0.00 C ATOM 795 C CYS A 144 9.762 -3.797 1.596 1.00 0.00 C ATOM 796 O CYS A 144 10.133 -3.765 2.769 1.00 0.00 O ATOM 797 CB CYS A 144 8.972 -1.618 0.668 1.00 0.00 C ATOM 798 SG CYS A 144 7.991 -0.973 -0.721 1.00 0.00 S ATOM 0 H CYS A 144 7.452 -2.010 2.607 1.00 0.00 H new ATOM 0 HA CYS A 144 8.107 -3.546 0.286 1.00 0.00 H new ATOM 0 HB2 CYS A 144 8.893 -0.928 1.508 1.00 0.00 H new ATOM 0 HB3 CYS A 144 10.022 -1.647 0.377 1.00 0.00 H new ATOM 803 N SER A 145 10.379 -4.494 0.650 1.00 0.00 N ATOM 804 CA SER A 145 11.565 -5.294 0.914 1.00 0.00 C ATOM 805 C SER A 145 12.249 -5.633 -0.404 1.00 0.00 C ATOM 806 O SER A 145 11.621 -6.175 -1.311 1.00 0.00 O ATOM 807 CB SER A 145 11.192 -6.577 1.661 1.00 0.00 C ATOM 808 OG SER A 145 12.338 -7.368 1.920 1.00 0.00 O ATOM 0 H SER A 145 10.070 -4.520 -0.322 1.00 0.00 H new ATOM 0 HA SER A 145 12.249 -4.721 1.541 1.00 0.00 H new ATOM 0 HB2 SER A 145 10.701 -6.325 2.601 1.00 0.00 H new ATOM 0 HB3 SER A 145 10.477 -7.150 1.071 1.00 0.00 H new ATOM 0 HG SER A 145 12.073 -8.181 2.399 1.00 0.00 H new ATOM 814 N GLN A 146 13.528 -5.291 -0.514 1.00 0.00 N ATOM 815 CA GLN A 146 14.285 -5.540 -1.736 1.00 0.00 C ATOM 816 C GLN A 146 13.688 -4.753 -2.903 1.00 0.00 C ATOM 817 O GLN A 146 13.631 -5.237 -4.034 1.00 0.00 O ATOM 818 CB GLN A 146 14.313 -7.035 -2.061 1.00 0.00 C ATOM 819 CG GLN A 146 14.963 -7.884 -0.980 1.00 0.00 C ATOM 820 CD GLN A 146 16.414 -7.513 -0.733 1.00 0.00 C ATOM 821 OE1 GLN A 146 16.721 -6.392 -0.323 1.00 0.00 O ATOM 822 NE2 GLN A 146 17.316 -8.455 -0.982 1.00 0.00 N ATOM 0 H GLN A 146 14.063 -4.840 0.228 1.00 0.00 H new ATOM 0 HA GLN A 146 15.310 -5.205 -1.577 1.00 0.00 H new ATOM 0 HB2 GLN A 146 13.292 -7.383 -2.219 1.00 0.00 H new ATOM 0 HB3 GLN A 146 14.849 -7.184 -2.999 1.00 0.00 H new ATOM 0 HG2 GLN A 146 14.402 -7.774 -0.052 1.00 0.00 H new ATOM 0 HG3 GLN A 146 14.905 -8.934 -1.265 1.00 0.00 H new ATOM 0 HE21 GLN A 146 17.018 -9.370 -1.320 1.00 0.00 H new ATOM 0 HE22 GLN A 146 18.307 -8.264 -0.835 1.00 0.00 H new ATOM 831 N GLY A 147 13.252 -3.531 -2.608 1.00 0.00 N ATOM 832 CA GLY A 147 12.668 -2.666 -3.620 1.00 0.00 C ATOM 833 C GLY A 147 11.383 -3.217 -4.224 1.00 0.00 C ATOM 834 O GLY A 147 11.033 -2.876 -5.354 1.00 0.00 O ATOM 0 H GLY A 147 13.294 -3.121 -1.675 1.00 0.00 H new ATOM 0 HA2 GLY A 147 12.463 -1.691 -3.178 1.00 0.00 H new ATOM 0 HA3 GLY A 147 13.396 -2.509 -4.416 1.00 0.00 H new ATOM 838 N GLN A 148 10.672 -4.059 -3.473 1.00 0.00 N ATOM 839 CA GLN A 148 9.415 -4.638 -3.954 1.00 0.00 C ATOM 840 C GLN A 148 8.399 -4.779 -2.819 1.00 0.00 C ATOM 841 O GLN A 148 8.750 -5.172 -1.706 1.00 0.00 O ATOM 842 CB GLN A 148 9.664 -5.994 -4.622 1.00 0.00 C ATOM 843 CG GLN A 148 10.330 -7.015 -3.714 1.00 0.00 C ATOM 844 CD GLN A 148 10.623 -8.322 -4.423 1.00 0.00 C ATOM 845 OE1 GLN A 148 9.714 -9.001 -4.901 1.00 0.00 O ATOM 846 NE2 GLN A 148 11.899 -8.682 -4.496 1.00 0.00 N ATOM 0 H GLN A 148 10.942 -4.354 -2.535 1.00 0.00 H new ATOM 0 HA GLN A 148 8.998 -3.957 -4.696 1.00 0.00 H new ATOM 0 HB2 GLN A 148 8.713 -6.397 -4.969 1.00 0.00 H new ATOM 0 HB3 GLN A 148 10.288 -5.845 -5.503 1.00 0.00 H new ATOM 0 HG2 GLN A 148 11.260 -6.599 -3.327 1.00 0.00 H new ATOM 0 HG3 GLN A 148 9.686 -7.208 -2.856 1.00 0.00 H new ATOM 0 HE21 GLN A 148 12.620 -8.089 -4.086 1.00 0.00 H new ATOM 0 HE22 GLN A 148 12.158 -9.552 -4.962 1.00 0.00 H new ATOM 855 N TRP A 149 7.139 -4.450 -3.107 1.00 0.00 N ATOM 856 CA TRP A 149 6.071 -4.532 -2.109 1.00 0.00 C ATOM 857 C TRP A 149 5.822 -5.973 -1.675 1.00 0.00 C ATOM 858 O TRP A 149 5.797 -6.885 -2.501 1.00 0.00 O ATOM 859 CB TRP A 149 4.768 -3.943 -2.657 1.00 0.00 C ATOM 860 CG TRP A 149 4.913 -2.557 -3.202 1.00 0.00 C ATOM 861 CD1 TRP A 149 5.214 -2.210 -4.487 1.00 0.00 C ATOM 862 CD2 TRP A 149 4.779 -1.332 -2.476 1.00 0.00 C ATOM 863 NE1 TRP A 149 5.262 -0.843 -4.607 1.00 0.00 N ATOM 864 CE2 TRP A 149 5.000 -0.281 -3.385 1.00 0.00 C ATOM 865 CE3 TRP A 149 4.488 -1.022 -1.146 1.00 0.00 C ATOM 866 CZ2 TRP A 149 4.942 1.057 -3.004 1.00 0.00 C ATOM 867 CZ3 TRP A 149 4.431 0.306 -0.769 1.00 0.00 C ATOM 868 CH2 TRP A 149 4.656 1.331 -1.695 1.00 0.00 C ATOM 0 H TRP A 149 6.833 -4.124 -4.024 1.00 0.00 H new ATOM 0 HA TRP A 149 6.397 -3.955 -1.244 1.00 0.00 H new ATOM 0 HB2 TRP A 149 4.388 -4.595 -3.444 1.00 0.00 H new ATOM 0 HB3 TRP A 149 4.022 -3.935 -1.863 1.00 0.00 H new ATOM 0 HD1 TRP A 149 5.389 -2.908 -5.292 1.00 0.00 H new ATOM 0 HE1 TRP A 149 5.460 -0.330 -5.466 1.00 0.00 H new ATOM 0 HE3 TRP A 149 4.311 -1.806 -0.425 1.00 0.00 H new ATOM 0 HZ2 TRP A 149 5.117 1.850 -3.716 1.00 0.00 H new ATOM 0 HZ3 TRP A 149 4.209 0.557 0.258 1.00 0.00 H new ATOM 0 HH2 TRP A 149 4.603 2.359 -1.369 1.00 0.00 H new ATOM 879 N SER A 150 5.626 -6.169 -0.371 1.00 0.00 N ATOM 880 CA SER A 150 5.363 -7.498 0.172 1.00 0.00 C ATOM 881 C SER A 150 4.134 -8.123 -0.480 1.00 0.00 C ATOM 882 O SER A 150 4.166 -9.278 -0.905 1.00 0.00 O ATOM 883 CB SER A 150 5.166 -7.429 1.688 1.00 0.00 C ATOM 884 OG SER A 150 4.910 -8.715 2.227 1.00 0.00 O ATOM 0 H SER A 150 5.645 -5.425 0.326 1.00 0.00 H new ATOM 0 HA SER A 150 6.228 -8.124 -0.047 1.00 0.00 H new ATOM 0 HB2 SER A 150 6.055 -7.006 2.155 1.00 0.00 H new ATOM 0 HB3 SER A 150 4.336 -6.762 1.920 1.00 0.00 H new ATOM 0 HG SER A 150 4.789 -8.645 3.197 1.00 0.00 H new ATOM 890 N THR A 151 3.044 -7.358 -0.546 1.00 0.00 N ATOM 891 CA THR A 151 1.803 -7.852 -1.137 1.00 0.00 C ATOM 892 C THR A 151 1.170 -6.822 -2.073 1.00 0.00 C ATOM 893 O THR A 151 1.109 -5.634 -1.755 1.00 0.00 O ATOM 894 CB THR A 151 0.784 -8.230 -0.048 1.00 0.00 C ATOM 895 OG1 THR A 151 0.468 -7.080 0.745 1.00 0.00 O ATOM 896 CG2 THR A 151 1.331 -9.331 0.846 1.00 0.00 C ATOM 0 H THR A 151 2.996 -6.400 -0.199 1.00 0.00 H new ATOM 0 HA THR A 151 2.065 -8.738 -1.715 1.00 0.00 H new ATOM 0 HB THR A 151 -0.119 -8.595 -0.537 1.00 0.00 H new ATOM 0 HG1 THR A 151 0.582 -7.296 1.694 1.00 0.00 H new ATOM 0 HG21 THR A 151 0.593 -9.581 1.608 1.00 0.00 H new ATOM 0 HG22 THR A 151 1.546 -10.215 0.245 1.00 0.00 H new ATOM 0 HG23 THR A 151 2.247 -8.988 1.327 1.00 0.00 H new ATOM 904 N PRO A 152 0.683 -7.274 -3.246 1.00 0.00 N ATOM 905 CA PRO A 152 0.044 -6.398 -4.240 1.00 0.00 C ATOM 906 C PRO A 152 -1.217 -5.728 -3.701 1.00 0.00 C ATOM 907 O PRO A 152 -1.842 -6.226 -2.766 1.00 0.00 O ATOM 908 CB PRO A 152 -0.311 -7.348 -5.392 1.00 0.00 C ATOM 909 CG PRO A 152 0.543 -8.550 -5.182 1.00 0.00 C ATOM 910 CD PRO A 152 0.714 -8.675 -3.697 1.00 0.00 C ATOM 0 HA PRO A 152 0.701 -5.580 -4.534 1.00 0.00 H new ATOM 0 HB2 PRO A 152 -1.369 -7.609 -5.376 1.00 0.00 H new ATOM 0 HB3 PRO A 152 -0.111 -6.887 -6.359 1.00 0.00 H new ATOM 0 HG2 PRO A 152 0.073 -9.441 -5.598 1.00 0.00 H new ATOM 0 HG3 PRO A 152 1.507 -8.437 -5.678 1.00 0.00 H new ATOM 0 HD2 PRO A 152 -0.085 -9.263 -3.246 1.00 0.00 H new ATOM 0 HD3 PRO A 152 1.654 -9.163 -3.438 1.00 0.00 H new ATOM 918 N LYS A 153 -1.581 -4.595 -4.296 1.00 0.00 N ATOM 919 CA LYS A 153 -2.767 -3.851 -3.873 1.00 0.00 C ATOM 920 C LYS A 153 -4.003 -4.748 -3.831 1.00 0.00 C ATOM 921 O LYS A 153 -4.311 -5.443 -4.800 1.00 0.00 O ATOM 922 CB LYS A 153 -3.024 -2.679 -4.822 1.00 0.00 C ATOM 923 CG LYS A 153 -1.877 -1.684 -4.901 1.00 0.00 C ATOM 924 CD LYS A 153 -2.185 -0.553 -5.870 1.00 0.00 C ATOM 925 CE LYS A 153 -3.380 0.273 -5.416 1.00 0.00 C ATOM 926 NZ LYS A 153 -3.150 0.906 -4.088 1.00 0.00 N ATOM 0 H LYS A 153 -1.073 -4.171 -5.072 1.00 0.00 H new ATOM 0 HA LYS A 153 -2.578 -3.475 -2.868 1.00 0.00 H new ATOM 0 HB2 LYS A 153 -3.222 -3.070 -5.820 1.00 0.00 H new ATOM 0 HB3 LYS A 153 -3.924 -2.155 -4.501 1.00 0.00 H new ATOM 0 HG2 LYS A 153 -1.682 -1.273 -3.911 1.00 0.00 H new ATOM 0 HG3 LYS A 153 -0.969 -2.198 -5.217 1.00 0.00 H new ATOM 0 HD2 LYS A 153 -1.312 0.093 -5.964 1.00 0.00 H new ATOM 0 HD3 LYS A 153 -2.384 -0.966 -6.859 1.00 0.00 H new ATOM 0 HE2 LYS A 153 -3.587 1.047 -6.155 1.00 0.00 H new ATOM 0 HE3 LYS A 153 -4.263 -0.364 -5.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 -4.044 0.933 -3.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 -2.448 0.353 -3.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 -2.798 1.875 -4.222 1.00 0.00 H new ATOM 940 N PRO A 154 -4.737 -4.734 -2.703 1.00 0.00 N ATOM 941 CA PRO A 154 -5.952 -5.540 -2.537 1.00 0.00 C ATOM 942 C PRO A 154 -7.124 -4.994 -3.351 1.00 0.00 C ATOM 943 O PRO A 154 -6.938 -4.492 -4.460 1.00 0.00 O ATOM 944 CB PRO A 154 -6.242 -5.429 -1.040 1.00 0.00 C ATOM 945 CG PRO A 154 -5.651 -4.123 -0.637 1.00 0.00 C ATOM 946 CD PRO A 154 -4.441 -3.926 -1.505 1.00 0.00 C ATOM 0 HA PRO A 154 -5.817 -6.564 -2.885 1.00 0.00 H new ATOM 0 HB2 PRO A 154 -7.313 -5.457 -0.841 1.00 0.00 H new ATOM 0 HB3 PRO A 154 -5.793 -6.254 -0.487 1.00 0.00 H new ATOM 0 HG2 PRO A 154 -6.366 -3.312 -0.776 1.00 0.00 H new ATOM 0 HG3 PRO A 154 -5.377 -4.129 0.418 1.00 0.00 H new ATOM 0 HD2 PRO A 154 -4.295 -2.875 -1.756 1.00 0.00 H new ATOM 0 HD3 PRO A 154 -3.532 -4.264 -1.008 1.00 0.00 H new ATOM 954 N HIS A 155 -8.332 -5.092 -2.796 1.00 0.00 N ATOM 955 CA HIS A 155 -9.526 -4.604 -3.478 1.00 0.00 C ATOM 956 C HIS A 155 -10.614 -4.227 -2.474 1.00 0.00 C ATOM 957 O HIS A 155 -10.755 -4.868 -1.431 1.00 0.00 O ATOM 958 CB HIS A 155 -10.056 -5.660 -4.451 1.00 0.00 C ATOM 959 CG HIS A 155 -10.490 -6.929 -3.785 1.00 0.00 C ATOM 960 ND1 HIS A 155 -9.635 -7.729 -3.057 1.00 0.00 N ATOM 961 CD2 HIS A 155 -11.700 -7.534 -3.739 1.00 0.00 C ATOM 962 CE1 HIS A 155 -10.300 -8.773 -2.594 1.00 0.00 C ATOM 963 NE2 HIS A 155 -11.554 -8.677 -2.993 1.00 0.00 N ATOM 0 H HIS A 155 -8.507 -5.504 -1.879 1.00 0.00 H new ATOM 0 HA HIS A 155 -9.250 -3.711 -4.039 1.00 0.00 H new ATOM 0 HB2 HIS A 155 -10.899 -5.243 -5.002 1.00 0.00 H new ATOM 0 HB3 HIS A 155 -9.280 -5.890 -5.181 1.00 0.00 H new ATOM 0 HD2 HIS A 155 -12.610 -7.183 -4.203 1.00 0.00 H new ATOM 0 HE1 HIS A 155 -9.887 -9.569 -1.992 1.00 0.00 H new ATOM 0 HE2 HIS A 155 -12.296 -9.345 -2.781 1.00 0.00 H new ATOM 972 N CYS A 156 -11.383 -3.190 -2.794 1.00 0.00 N ATOM 973 CA CYS A 156 -12.458 -2.738 -1.916 1.00 0.00 C ATOM 974 C CYS A 156 -13.793 -3.335 -2.354 1.00 0.00 C ATOM 975 O CYS A 156 -14.189 -3.208 -3.514 1.00 0.00 O ATOM 976 CB CYS A 156 -12.548 -1.209 -1.925 1.00 0.00 C ATOM 977 SG CYS A 156 -11.037 -0.362 -1.359 1.00 0.00 S ATOM 0 H CYS A 156 -11.282 -2.648 -3.652 1.00 0.00 H new ATOM 0 HA CYS A 156 -12.235 -3.075 -0.904 1.00 0.00 H new ATOM 0 HB2 CYS A 156 -12.778 -0.877 -2.937 1.00 0.00 H new ATOM 0 HB3 CYS A 156 -13.380 -0.903 -1.292 1.00 0.00 H new ATOM 982 N GLN A 157 -14.479 -3.993 -1.424 1.00 0.00 N ATOM 983 CA GLN A 157 -15.767 -4.615 -1.721 1.00 0.00 C ATOM 984 C GLN A 157 -16.915 -3.863 -1.054 1.00 0.00 C ATOM 985 O GLN A 157 -16.782 -3.374 0.067 1.00 0.00 O ATOM 986 CB GLN A 157 -15.771 -6.079 -1.271 1.00 0.00 C ATOM 987 CG GLN A 157 -17.092 -6.788 -1.526 1.00 0.00 C ATOM 988 CD GLN A 157 -17.057 -8.251 -1.132 1.00 0.00 C ATOM 989 OE1 GLN A 157 -16.803 -8.589 0.025 1.00 0.00 O ATOM 990 NE2 GLN A 157 -17.314 -9.128 -2.094 1.00 0.00 N ATOM 0 H GLN A 157 -14.166 -4.110 -0.460 1.00 0.00 H new ATOM 0 HA GLN A 157 -15.913 -4.572 -2.800 1.00 0.00 H new ATOM 0 HB2 GLN A 157 -14.975 -6.613 -1.790 1.00 0.00 H new ATOM 0 HB3 GLN A 157 -15.543 -6.124 -0.206 1.00 0.00 H new ATOM 0 HG2 GLN A 157 -17.883 -6.285 -0.969 1.00 0.00 H new ATOM 0 HG3 GLN A 157 -17.345 -6.707 -2.583 1.00 0.00 H new ATOM 0 HE21 GLN A 157 -17.519 -8.803 -3.039 1.00 0.00 H new ATOM 0 HE22 GLN A 157 -17.306 -10.127 -1.889 1.00 0.00 H new ATOM 999 N VAL A 158 -18.042 -3.781 -1.755 1.00 0.00 N ATOM 1000 CA VAL A 158 -19.221 -3.096 -1.240 1.00 0.00 C ATOM 1001 C VAL A 158 -19.730 -3.764 0.034 1.00 0.00 C ATOM 1002 O VAL A 158 -19.743 -4.990 0.140 1.00 0.00 O ATOM 1003 CB VAL A 158 -20.357 -3.077 -2.282 1.00 0.00 C ATOM 1004 CG1 VAL A 158 -21.567 -2.328 -1.743 1.00 0.00 C ATOM 1005 CG2 VAL A 158 -19.875 -2.458 -3.584 1.00 0.00 C ATOM 0 H VAL A 158 -18.163 -4.183 -2.685 1.00 0.00 H new ATOM 0 HA VAL A 158 -18.922 -2.072 -1.018 1.00 0.00 H new ATOM 0 HB VAL A 158 -20.657 -4.105 -2.483 1.00 0.00 H new ATOM 0 HG11 VAL A 158 -22.358 -2.326 -2.493 1.00 0.00 H new ATOM 0 HG12 VAL A 158 -21.926 -2.820 -0.839 1.00 0.00 H new ATOM 0 HG13 VAL A 158 -21.285 -1.301 -1.510 1.00 0.00 H new ATOM 0 HG21 VAL A 158 -20.690 -2.453 -4.308 1.00 0.00 H new ATOM 0 HG22 VAL A 158 -19.546 -1.435 -3.401 1.00 0.00 H new ATOM 0 HG23 VAL A 158 -19.043 -3.042 -3.978 1.00 0.00 H new ATOM 1015 N ASN A 159 -20.151 -2.949 0.998 1.00 0.00 N ATOM 1016 CA ASN A 159 -20.665 -3.462 2.263 1.00 0.00 C ATOM 1017 C ASN A 159 -21.891 -4.343 2.039 1.00 0.00 C ATOM 1018 O ASN A 159 -22.291 -5.051 2.987 1.00 0.00 O ATOM 1019 CB ASN A 159 -21.018 -2.307 3.201 1.00 0.00 C ATOM 1020 CG ASN A 159 -21.982 -1.321 2.571 1.00 0.00 C ATOM 1021 OD1 ASN A 159 -23.085 -1.686 2.161 1.00 0.00 O ATOM 1022 ND2 ASN A 159 -21.571 -0.060 2.494 1.00 0.00 N ATOM 1023 OXT ASN A 159 -22.442 -4.317 0.918 1.00 0.00 O ATOM 0 H ASN A 159 -20.146 -1.932 0.926 1.00 0.00 H new ATOM 0 HA ASN A 159 -19.884 -4.069 2.722 1.00 0.00 H new ATOM 0 HB2 ASN A 159 -21.458 -2.707 4.115 1.00 0.00 H new ATOM 0 HB3 ASN A 159 -20.105 -1.785 3.488 1.00 0.00 H new ATOM 0 HD21 ASN A 159 -22.177 0.650 2.083 1.00 0.00 H new ATOM 0 HD22 ASN A 159 -20.649 0.198 2.846 1.00 0.00 H new TER 1030 ASN A 159