USER MOD reduce.3.24.130724 H: found=0, std=0, add=644, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 544 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 Single : A 159 TYR OH : rot 180:sc= 0 USER MOD Single : A 164 TYR OH : rot 180:sc= 0 USER MOD Single : A 167 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 170 LYS NZ :NH3+ -178:sc= -1.14 (180deg=-1.41) USER MOD Single : A 175 THR OG1 : rot 180:sc= 0 USER MOD Single : A 176 THR OG1 : rot -76:sc= 0.0918 USER MOD Single : A 177 TYR OH : rot 180:sc= 0 USER MOD Single : A 181 ASN :FLIP amide:sc= -1.44 F(o=-2.2!,f=-1.4) USER MOD Single : A 185 CYS SG : rot 170:sc= -1.46! USER MOD Single : A 187 HIS : no HD1:sc= -0.129 K(o=-0.13,f=-0.78) USER MOD Single : A 188 HIS : no HE2:sc= -15.5! C(o=-16!,f=-15!) USER MOD Single : A 189 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 190 CYS SG : rot -22:sc= 0.419 USER MOD Single : A 196 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 213 SER OG : rot 180:sc= 0 USER MOD Single : A 232 LYS NZ :NH3+ -160:sc= -1.96! (180deg=-2.91!) USER MOD Single : A 233 SER OG : rot 180:sc= 0 USER MOD Single : A 235 ASN : amide:sc= -0.662 K(o=-0.66,f=-2.4!) USER MOD Single : A 238 THR OG1 : rot 180:sc= 0.0368 USER MOD Single : A 240 GLN : amide:sc= -4.49! C(o=-4.5!,f=-4.5!) USER MOD Single : A 243 LYS NZ :NH3+ 139:sc= -8.01! (180deg=-12.1!) USER MOD Single : A 244 SER OG : rot 180:sc= 0 USER MOD Single : B 473 SER OG : rot 180:sc= 0 USER MOD Single : B 478 LYS NZ :NH3+ -128:sc= -0.018 (180deg=-0.194) USER MOD ----------------------------------------------------------------- ATOM 36 N TYR A 159 -4.781 -2.498 -3.468 1.00 12.21 N ATOM 37 CA TYR A 159 -4.162 -3.794 -3.250 1.00 21.41 C ATOM 38 C TYR A 159 -3.285 -4.191 -4.439 1.00 12.05 C ATOM 39 O TYR A 159 -3.066 -3.390 -5.347 1.00 71.43 O ATOM 40 CB TYR A 159 -5.314 -4.795 -3.124 1.00 55.24 C ATOM 41 CG TYR A 159 -6.417 -4.355 -2.160 1.00 34.03 C ATOM 42 CD1 TYR A 159 -6.158 -4.268 -0.808 1.00 41.55 C ATOM 43 CD2 TYR A 159 -7.673 -4.045 -2.644 1.00 44.24 C ATOM 44 CE1 TYR A 159 -7.197 -3.854 0.099 1.00 42.21 C ATOM 45 CE2 TYR A 159 -8.712 -3.631 -1.736 1.00 75.10 C ATOM 46 CZ TYR A 159 -8.423 -3.556 -0.410 1.00 41.40 C ATOM 47 OH TYR A 159 -9.403 -3.165 0.447 1.00 22.34 O ATOM 0 HA TYR A 159 -3.527 -3.772 -2.364 1.00 21.41 H new ATOM 0 HB2 TYR A 159 -5.750 -4.957 -4.110 1.00 55.24 H new ATOM 0 HB3 TYR A 159 -4.915 -5.753 -2.790 1.00 55.24 H new ATOM 0 HD1 TYR A 159 -5.176 -4.510 -0.430 1.00 41.55 H new ATOM 0 HD2 TYR A 159 -7.876 -4.113 -3.703 1.00 44.24 H new ATOM 0 HE1 TYR A 159 -7.007 -3.782 1.160 1.00 42.21 H new ATOM 0 HE2 TYR A 159 -9.699 -3.386 -2.101 1.00 75.10 H new ATOM 0 HH TYR A 159 -10.224 -2.984 -0.056 1.00 22.34 H new ATOM 56 N ALA A 160 -2.809 -5.426 -4.397 1.00 41.44 N ATOM 57 CA ALA A 160 -1.960 -5.938 -5.460 1.00 65.10 C ATOM 58 C ALA A 160 -2.567 -7.229 -6.012 1.00 21.13 C ATOM 59 O ALA A 160 -3.210 -7.981 -5.281 1.00 43.34 O ATOM 60 CB ALA A 160 -0.542 -6.143 -4.926 1.00 52.14 C ATOM 0 H ALA A 160 -2.995 -6.088 -3.643 1.00 41.44 H new ATOM 0 HA ALA A 160 -1.899 -5.224 -6.281 1.00 65.10 H new ATOM 0 HB1 ALA A 160 0.095 -6.527 -5.723 1.00 52.14 H new ATOM 0 HB2 ALA A 160 -0.146 -5.192 -4.571 1.00 52.14 H new ATOM 0 HB3 ALA A 160 -0.563 -6.857 -4.103 1.00 52.14 H new ATOM 66 N ILE A 161 -2.344 -7.446 -7.300 1.00 61.15 N ATOM 67 CA ILE A 161 -2.861 -8.633 -7.960 1.00 73.01 C ATOM 68 C ILE A 161 -1.691 -9.496 -8.439 1.00 1.41 C ATOM 69 O ILE A 161 -0.733 -8.983 -9.016 1.00 24.53 O ATOM 70 CB ILE A 161 -3.835 -8.245 -9.074 1.00 1.10 C ATOM 71 CG1 ILE A 161 -4.921 -9.309 -9.247 1.00 64.11 C ATOM 72 CG2 ILE A 161 -3.090 -7.968 -10.382 1.00 24.14 C ATOM 73 CD1 ILE A 161 -4.395 -10.506 -10.041 1.00 25.24 C ATOM 0 H ILE A 161 -1.812 -6.820 -7.904 1.00 61.15 H new ATOM 0 HA ILE A 161 -3.438 -9.237 -7.260 1.00 73.01 H new ATOM 0 HB ILE A 161 -4.334 -7.320 -8.785 1.00 1.10 H new ATOM 0 HG12 ILE A 161 -5.268 -9.641 -8.269 1.00 64.11 H new ATOM 0 HG13 ILE A 161 -5.780 -8.877 -9.760 1.00 64.11 H new ATOM 0 HG21 ILE A 161 -3.806 -7.694 -11.157 1.00 24.14 H new ATOM 0 HG22 ILE A 161 -2.386 -7.150 -10.233 1.00 24.14 H new ATOM 0 HG23 ILE A 161 -2.548 -8.862 -10.688 1.00 24.14 H new ATOM 0 HD11 ILE A 161 -5.187 -11.247 -10.149 1.00 25.24 H new ATOM 0 HD12 ILE A 161 -4.071 -10.174 -11.027 1.00 25.24 H new ATOM 0 HD13 ILE A 161 -3.552 -10.951 -9.513 1.00 25.24 H new ATOM 84 N VAL A 162 -1.807 -10.790 -8.181 1.00 30.12 N ATOM 85 CA VAL A 162 -0.771 -11.728 -8.579 1.00 24.21 C ATOM 86 C VAL A 162 -1.093 -12.276 -9.971 1.00 55.40 C ATOM 87 O VAL A 162 -2.162 -12.843 -10.187 1.00 14.21 O ATOM 88 CB VAL A 162 -0.627 -12.827 -7.523 1.00 1.41 C ATOM 89 CG1 VAL A 162 -0.388 -14.189 -8.179 1.00 4.31 C ATOM 90 CG2 VAL A 162 0.489 -12.491 -6.531 1.00 34.24 C ATOM 0 H VAL A 162 -2.602 -11.211 -7.701 1.00 30.12 H new ATOM 0 HA VAL A 162 0.195 -11.227 -8.642 1.00 24.21 H new ATOM 0 HB VAL A 162 -1.563 -12.883 -6.967 1.00 1.41 H new ATOM 0 HG11 VAL A 162 -0.289 -14.952 -7.407 1.00 4.31 H new ATOM 0 HG12 VAL A 162 -1.230 -14.434 -8.826 1.00 4.31 H new ATOM 0 HG13 VAL A 162 0.526 -14.152 -8.772 1.00 4.31 H new ATOM 0 HG21 VAL A 162 0.570 -13.288 -5.791 1.00 34.24 H new ATOM 0 HG22 VAL A 162 1.434 -12.394 -7.066 1.00 34.24 H new ATOM 0 HG23 VAL A 162 0.258 -11.552 -6.028 1.00 34.24 H new ATOM 100 N LEU A 163 -0.146 -12.087 -10.879 1.00 2.40 N ATOM 101 CA LEU A 163 -0.314 -12.555 -12.244 1.00 13.34 C ATOM 102 C LEU A 163 0.493 -13.838 -12.442 1.00 64.43 C ATOM 103 O LEU A 163 0.328 -14.531 -13.445 1.00 51.21 O ATOM 104 CB LEU A 163 0.041 -11.446 -13.237 1.00 51.12 C ATOM 105 CG LEU A 163 -0.073 -10.013 -12.713 1.00 71.45 C ATOM 106 CD1 LEU A 163 0.826 -9.065 -13.509 1.00 52.23 C ATOM 107 CD2 LEU A 163 -1.530 -9.547 -12.702 1.00 20.34 C ATOM 0 H LEU A 163 0.740 -11.616 -10.696 1.00 2.40 H new ATOM 0 HA LEU A 163 -1.358 -12.802 -12.436 1.00 13.34 H new ATOM 0 HB2 LEU A 163 1.063 -11.606 -13.579 1.00 51.12 H new ATOM 0 HB3 LEU A 163 -0.606 -11.545 -14.108 1.00 51.12 H new ATOM 0 HG LEU A 163 0.277 -9.998 -11.681 1.00 71.45 H new ATOM 0 HD11 LEU A 163 0.726 -8.053 -13.116 1.00 52.23 H new ATOM 0 HD12 LEU A 163 1.863 -9.388 -13.421 1.00 52.23 H new ATOM 0 HD13 LEU A 163 0.530 -9.078 -14.558 1.00 52.23 H new ATOM 0 HD21 LEU A 163 -1.582 -8.526 -12.325 1.00 20.34 H new ATOM 0 HD22 LEU A 163 -1.931 -9.581 -13.715 1.00 20.34 H new ATOM 0 HD23 LEU A 163 -2.117 -10.202 -12.058 1.00 20.34 H new ATOM 118 N TYR A 164 1.347 -14.119 -11.468 1.00 1.33 N ATOM 119 CA TYR A 164 2.180 -15.309 -11.522 1.00 14.11 C ATOM 120 C TYR A 164 2.337 -15.931 -10.134 1.00 70.42 C ATOM 121 O TYR A 164 2.012 -15.303 -9.127 1.00 53.33 O ATOM 122 CB TYR A 164 3.550 -14.842 -12.018 1.00 12.21 C ATOM 123 CG TYR A 164 3.487 -13.871 -13.199 1.00 65.51 C ATOM 124 CD1 TYR A 164 3.404 -12.512 -12.972 1.00 70.51 C ATOM 125 CD2 TYR A 164 3.513 -14.354 -14.492 1.00 62.32 C ATOM 126 CE1 TYR A 164 3.345 -11.599 -14.084 1.00 71.21 C ATOM 127 CE2 TYR A 164 3.454 -13.441 -15.603 1.00 61.12 C ATOM 128 CZ TYR A 164 3.373 -12.108 -15.345 1.00 63.22 C ATOM 129 OH TYR A 164 3.317 -11.246 -16.394 1.00 74.32 O ATOM 0 H TYR A 164 1.480 -13.543 -10.637 1.00 1.33 H new ATOM 0 HA TYR A 164 1.734 -16.061 -12.173 1.00 14.11 H new ATOM 0 HB2 TYR A 164 4.079 -14.362 -11.194 1.00 12.21 H new ATOM 0 HB3 TYR A 164 4.136 -15.714 -12.309 1.00 12.21 H new ATOM 0 HD1 TYR A 164 3.383 -12.134 -11.961 1.00 70.51 H new ATOM 0 HD2 TYR A 164 3.578 -15.417 -14.670 1.00 62.32 H new ATOM 0 HE1 TYR A 164 3.280 -10.533 -13.920 1.00 71.21 H new ATOM 0 HE2 TYR A 164 3.474 -13.806 -16.619 1.00 61.12 H new ATOM 0 HH TYR A 164 3.347 -11.750 -17.234 1.00 74.32 H new ATOM 138 N ASP A 165 2.836 -17.159 -10.124 1.00 44.33 N ATOM 139 CA ASP A 165 3.041 -17.873 -8.875 1.00 70.00 C ATOM 140 C ASP A 165 4.538 -18.111 -8.669 1.00 52.02 C ATOM 141 O ASP A 165 5.278 -18.307 -9.632 1.00 72.42 O ATOM 142 CB ASP A 165 2.345 -19.235 -8.900 1.00 2.13 C ATOM 143 CG ASP A 165 2.792 -20.170 -10.025 1.00 4.44 C ATOM 144 OD1 ASP A 165 3.280 -19.721 -11.073 1.00 40.42 O ATOM 145 OD2 ASP A 165 2.620 -21.427 -9.791 1.00 45.11 O ATOM 0 H ASP A 165 3.104 -17.677 -10.961 1.00 44.33 H new ATOM 0 HA ASP A 165 2.625 -17.269 -8.068 1.00 70.00 H new ATOM 0 HB2 ASP A 165 2.518 -19.732 -7.945 1.00 2.13 H new ATOM 0 HB3 ASP A 165 1.270 -19.075 -8.986 1.00 2.13 H new ATOM 150 N PHE A 166 4.941 -18.086 -7.407 1.00 30.30 N ATOM 151 CA PHE A 166 6.336 -18.297 -7.062 1.00 1.04 C ATOM 152 C PHE A 166 6.468 -18.955 -5.686 1.00 22.35 C ATOM 153 O PHE A 166 5.888 -18.482 -4.710 1.00 52.32 O ATOM 154 CB PHE A 166 7.000 -16.919 -7.020 1.00 23.51 C ATOM 155 CG PHE A 166 8.355 -16.903 -6.312 1.00 44.33 C ATOM 156 CD1 PHE A 166 9.156 -18.002 -6.348 1.00 11.23 C ATOM 157 CD2 PHE A 166 8.760 -15.789 -5.644 1.00 12.23 C ATOM 158 CE1 PHE A 166 10.414 -17.986 -5.691 1.00 44.34 C ATOM 159 CE2 PHE A 166 10.018 -15.773 -4.987 1.00 44.35 C ATOM 160 CZ PHE A 166 10.819 -16.873 -5.023 1.00 12.22 C ATOM 0 H PHE A 166 4.325 -17.923 -6.611 1.00 30.30 H new ATOM 0 HA PHE A 166 6.805 -18.953 -7.795 1.00 1.04 H new ATOM 0 HB2 PHE A 166 7.131 -16.559 -8.040 1.00 23.51 H new ATOM 0 HB3 PHE A 166 6.331 -16.220 -6.518 1.00 23.51 H new ATOM 0 HD1 PHE A 166 8.834 -18.887 -6.877 1.00 11.23 H new ATOM 0 HD2 PHE A 166 8.124 -14.917 -5.614 1.00 12.23 H new ATOM 0 HE1 PHE A 166 11.050 -18.858 -5.722 1.00 44.34 H new ATOM 0 HE2 PHE A 166 10.340 -14.888 -4.458 1.00 44.35 H new ATOM 0 HZ PHE A 166 11.775 -16.862 -4.521 1.00 12.22 H new ATOM 169 N LYS A 167 7.233 -20.035 -5.654 1.00 62.33 N ATOM 170 CA LYS A 167 7.448 -20.763 -4.414 1.00 52.22 C ATOM 171 C LYS A 167 8.252 -19.891 -3.448 1.00 52.42 C ATOM 172 O LYS A 167 9.458 -19.718 -3.619 1.00 52.23 O ATOM 173 CB LYS A 167 8.092 -22.122 -4.695 1.00 32.32 C ATOM 174 CG LYS A 167 7.448 -22.793 -5.911 1.00 53.10 C ATOM 175 CD LYS A 167 7.498 -24.316 -5.788 1.00 71.22 C ATOM 176 CE LYS A 167 6.344 -24.835 -4.927 1.00 71.41 C ATOM 177 NZ LYS A 167 6.668 -26.170 -4.375 1.00 34.14 N ATOM 0 H LYS A 167 7.712 -20.424 -6.466 1.00 62.33 H new ATOM 0 HA LYS A 167 6.495 -20.981 -3.931 1.00 52.22 H new ATOM 0 HB2 LYS A 167 9.160 -21.993 -4.869 1.00 32.32 H new ATOM 0 HB3 LYS A 167 7.987 -22.766 -3.822 1.00 32.32 H new ATOM 0 HG2 LYS A 167 6.412 -22.466 -6.005 1.00 53.10 H new ATOM 0 HG3 LYS A 167 7.964 -22.481 -6.819 1.00 53.10 H new ATOM 0 HD2 LYS A 167 7.448 -24.766 -6.779 1.00 71.22 H new ATOM 0 HD3 LYS A 167 8.449 -24.618 -5.349 1.00 71.22 H new ATOM 0 HE2 LYS A 167 6.147 -24.137 -4.114 1.00 71.41 H new ATOM 0 HE3 LYS A 167 5.434 -24.893 -5.525 1.00 71.41 H new ATOM 0 HZ1 LYS A 167 5.874 -26.507 -3.793 1.00 34.14 H new ATOM 0 HZ2 LYS A 167 6.834 -26.837 -5.155 1.00 34.14 H new ATOM 0 HZ3 LYS A 167 7.524 -26.105 -3.788 1.00 34.14 H new ATOM 186 N ALA A 168 7.552 -19.362 -2.455 1.00 34.41 N ATOM 187 CA ALA A 168 8.186 -18.512 -1.462 1.00 34.32 C ATOM 188 C ALA A 168 8.910 -19.386 -0.436 1.00 10.23 C ATOM 189 O ALA A 168 8.437 -20.467 -0.092 1.00 1.03 O ATOM 190 CB ALA A 168 7.133 -17.607 -0.818 1.00 12.34 C ATOM 0 H ALA A 168 6.552 -19.506 -2.317 1.00 34.41 H new ATOM 0 HA ALA A 168 8.930 -17.866 -1.928 1.00 34.32 H new ATOM 0 HB1 ALA A 168 7.608 -16.969 -0.073 1.00 12.34 H new ATOM 0 HB2 ALA A 168 6.669 -16.986 -1.584 1.00 12.34 H new ATOM 0 HB3 ALA A 168 6.371 -18.220 -0.337 1.00 12.34 H new ATOM 196 N GLU A 169 10.046 -18.883 0.025 1.00 55.31 N ATOM 197 CA GLU A 169 10.840 -19.604 1.004 1.00 63.13 C ATOM 198 C GLU A 169 11.632 -18.624 1.872 1.00 15.52 C ATOM 199 O GLU A 169 12.631 -18.997 2.484 1.00 10.25 O ATOM 200 CB GLU A 169 11.772 -20.608 0.323 1.00 65.02 C ATOM 201 CG GLU A 169 12.537 -19.953 -0.828 1.00 54.24 C ATOM 202 CD GLU A 169 13.641 -20.877 -1.348 1.00 14.15 C ATOM 203 OE1 GLU A 169 14.532 -20.424 -2.083 1.00 22.33 O ATOM 204 OE2 GLU A 169 13.551 -22.104 -0.963 1.00 53.10 O ATOM 0 H GLU A 169 10.435 -17.985 -0.262 1.00 55.31 H new ATOM 0 HA GLU A 169 10.163 -20.165 1.648 1.00 63.13 H new ATOM 0 HB2 GLU A 169 12.477 -21.007 1.052 1.00 65.02 H new ATOM 0 HB3 GLU A 169 11.192 -21.450 -0.054 1.00 65.02 H new ATOM 0 HG2 GLU A 169 11.848 -19.713 -1.637 1.00 54.24 H new ATOM 0 HG3 GLU A 169 12.973 -19.013 -0.491 1.00 54.24 H new ATOM 210 N LYS A 170 11.155 -17.387 1.897 1.00 34.43 N ATOM 211 CA LYS A 170 11.805 -16.350 2.679 1.00 41.44 C ATOM 212 C LYS A 170 11.116 -16.235 4.040 1.00 13.11 C ATOM 213 O LYS A 170 10.212 -17.010 4.349 1.00 15.34 O ATOM 214 CB LYS A 170 11.846 -15.035 1.897 1.00 62.14 C ATOM 215 CG LYS A 170 11.957 -15.295 0.394 1.00 34.42 C ATOM 216 CD LYS A 170 10.610 -15.086 -0.301 1.00 50.52 C ATOM 217 CE LYS A 170 10.627 -15.665 -1.717 1.00 4.44 C ATOM 218 NZ LYS A 170 9.325 -15.438 -2.384 1.00 34.51 N ATOM 0 H LYS A 170 10.326 -17.081 1.388 1.00 34.43 H new ATOM 0 HA LYS A 170 12.845 -16.613 2.870 1.00 41.44 H new ATOM 0 HB2 LYS A 170 10.946 -14.456 2.104 1.00 62.14 H new ATOM 0 HB3 LYS A 170 12.694 -14.436 2.230 1.00 62.14 H new ATOM 0 HG2 LYS A 170 12.701 -14.627 -0.040 1.00 34.42 H new ATOM 0 HG3 LYS A 170 12.304 -16.314 0.222 1.00 34.42 H new ATOM 0 HD2 LYS A 170 9.820 -15.561 0.280 1.00 50.52 H new ATOM 0 HD3 LYS A 170 10.380 -14.021 -0.342 1.00 50.52 H new ATOM 0 HE2 LYS A 170 11.425 -15.201 -2.297 1.00 4.44 H new ATOM 0 HE3 LYS A 170 10.841 -16.733 -1.677 1.00 4.44 H new ATOM 0 HZ1 LYS A 170 9.341 -15.866 -3.332 1.00 34.51 H new ATOM 0 HZ2 LYS A 170 8.566 -15.872 -1.821 1.00 34.51 H new ATOM 0 HZ3 LYS A 170 9.152 -14.416 -2.469 1.00 34.51 H new ATOM 227 N ALA A 171 11.569 -15.262 4.817 1.00 22.25 N ATOM 228 CA ALA A 171 11.007 -15.035 6.137 1.00 25.32 C ATOM 229 C ALA A 171 9.507 -14.756 6.008 1.00 52.32 C ATOM 230 O ALA A 171 8.718 -15.180 6.849 1.00 22.13 O ATOM 231 CB ALA A 171 11.755 -13.891 6.822 1.00 54.14 C ATOM 0 H ALA A 171 12.319 -14.622 4.557 1.00 22.25 H new ATOM 0 HA ALA A 171 11.125 -15.921 6.761 1.00 25.32 H new ATOM 0 HB1 ALA A 171 11.332 -13.721 7.812 1.00 54.14 H new ATOM 0 HB2 ALA A 171 12.809 -14.151 6.917 1.00 54.14 H new ATOM 0 HB3 ALA A 171 11.657 -12.984 6.226 1.00 54.14 H new ATOM 237 N ASP A 172 9.161 -14.043 4.947 1.00 35.42 N ATOM 238 CA ASP A 172 7.771 -13.702 4.695 1.00 13.43 C ATOM 239 C ASP A 172 7.247 -14.541 3.529 1.00 31.14 C ATOM 240 O ASP A 172 6.283 -14.158 2.867 1.00 41.21 O ATOM 241 CB ASP A 172 7.626 -12.225 4.318 1.00 60.41 C ATOM 242 CG ASP A 172 7.542 -11.261 5.503 1.00 74.03 C ATOM 243 OD1 ASP A 172 6.572 -10.501 5.639 1.00 52.54 O ATOM 244 OD2 ASP A 172 8.542 -11.310 6.317 1.00 11.45 O ATOM 0 H ASP A 172 9.819 -13.692 4.251 1.00 35.42 H new ATOM 0 HA ASP A 172 7.205 -13.900 5.605 1.00 13.43 H new ATOM 0 HB2 ASP A 172 8.474 -11.939 3.696 1.00 60.41 H new ATOM 0 HB3 ASP A 172 6.730 -12.107 3.709 1.00 60.41 H new ATOM 249 N GLU A 173 7.904 -15.671 3.313 1.00 11.05 N ATOM 250 CA GLU A 173 7.516 -16.569 2.238 1.00 3.13 C ATOM 251 C GLU A 173 5.995 -16.562 2.064 1.00 74.04 C ATOM 252 O GLU A 173 5.266 -17.049 2.926 1.00 41.12 O ATOM 253 CB GLU A 173 8.032 -17.986 2.493 1.00 3.12 C ATOM 254 CG GLU A 173 7.280 -18.642 3.654 1.00 71.01 C ATOM 255 CD GLU A 173 7.231 -17.715 4.869 1.00 44.24 C ATOM 256 OE1 GLU A 173 6.213 -17.045 5.098 1.00 24.23 O ATOM 257 OE2 GLU A 173 8.301 -17.705 5.591 1.00 23.33 O ATOM 0 H GLU A 173 8.703 -15.986 3.864 1.00 11.05 H new ATOM 0 HA GLU A 173 7.970 -16.214 1.313 1.00 3.13 H new ATOM 0 HB2 GLU A 173 7.914 -18.588 1.592 1.00 3.12 H new ATOM 0 HB3 GLU A 173 9.098 -17.954 2.717 1.00 3.12 H new ATOM 0 HG2 GLU A 173 6.266 -18.891 3.341 1.00 71.01 H new ATOM 0 HG3 GLU A 173 7.768 -19.578 3.926 1.00 71.01 H new ATOM 263 N LEU A 174 5.563 -16.005 0.942 1.00 63.22 N ATOM 264 CA LEU A 174 4.142 -15.929 0.644 1.00 53.42 C ATOM 265 C LEU A 174 3.852 -16.712 -0.638 1.00 60.43 C ATOM 266 O LEU A 174 4.044 -16.201 -1.740 1.00 45.24 O ATOM 267 CB LEU A 174 3.684 -14.470 0.589 1.00 1.40 C ATOM 268 CG LEU A 174 2.225 -14.210 0.970 1.00 75.15 C ATOM 269 CD1 LEU A 174 1.298 -14.442 -0.226 1.00 65.41 C ATOM 270 CD2 LEU A 174 1.818 -15.049 2.182 1.00 62.31 C ATOM 0 H LEU A 174 6.171 -15.602 0.229 1.00 63.22 H new ATOM 0 HA LEU A 174 3.560 -16.393 1.441 1.00 53.42 H new ATOM 0 HB2 LEU A 174 4.322 -13.885 1.251 1.00 1.40 H new ATOM 0 HB3 LEU A 174 3.847 -14.097 -0.422 1.00 1.40 H new ATOM 0 HG LEU A 174 2.127 -13.163 1.256 1.00 75.15 H new ATOM 0 HD11 LEU A 174 0.267 -14.251 0.071 1.00 65.41 H new ATOM 0 HD12 LEU A 174 1.574 -13.767 -1.036 1.00 65.41 H new ATOM 0 HD13 LEU A 174 1.393 -15.474 -0.565 1.00 65.41 H new ATOM 0 HD21 LEU A 174 0.777 -14.846 2.432 1.00 62.31 H new ATOM 0 HD22 LEU A 174 1.935 -16.107 1.948 1.00 62.31 H new ATOM 0 HD23 LEU A 174 2.452 -14.793 3.031 1.00 62.31 H new ATOM 281 N THR A 175 3.395 -17.942 -0.450 1.00 0.24 N ATOM 282 CA THR A 175 3.076 -18.801 -1.577 1.00 30.42 C ATOM 283 C THR A 175 1.669 -18.499 -2.098 1.00 51.02 C ATOM 284 O THR A 175 0.681 -18.752 -1.411 1.00 0.32 O ATOM 285 CB THR A 175 3.258 -20.253 -1.131 1.00 72.44 C ATOM 286 OG1 THR A 175 3.193 -21.000 -2.343 1.00 34.13 O ATOM 287 CG2 THR A 175 2.073 -20.768 -0.312 1.00 71.03 C ATOM 0 H THR A 175 3.238 -18.363 0.466 1.00 0.24 H new ATOM 0 HA THR A 175 3.746 -18.616 -2.416 1.00 30.42 H new ATOM 0 HB THR A 175 4.171 -20.339 -0.541 1.00 72.44 H new ATOM 0 HG1 THR A 175 3.304 -21.954 -2.146 1.00 34.13 H new ATOM 0 HG21 THR A 175 2.254 -21.803 -0.021 1.00 71.03 H new ATOM 0 HG22 THR A 175 1.955 -20.155 0.582 1.00 71.03 H new ATOM 0 HG23 THR A 175 1.165 -20.713 -0.912 1.00 71.03 H new ATOM 295 N THR A 176 1.625 -17.962 -3.308 1.00 14.44 N ATOM 296 CA THR A 176 0.356 -17.621 -3.930 1.00 25.13 C ATOM 297 C THR A 176 0.358 -18.029 -5.405 1.00 24.50 C ATOM 298 O THR A 176 1.344 -17.821 -6.109 1.00 10.32 O ATOM 299 CB THR A 176 0.109 -16.127 -3.713 1.00 62.42 C ATOM 300 OG1 THR A 176 -0.577 -16.066 -2.465 1.00 74.10 O ATOM 301 CG2 THR A 176 -0.890 -15.547 -4.716 1.00 1.12 C ATOM 0 H THR A 176 2.447 -17.754 -3.875 1.00 14.44 H new ATOM 0 HA THR A 176 -0.468 -18.171 -3.474 1.00 25.13 H new ATOM 0 HB THR A 176 1.054 -15.588 -3.789 1.00 62.42 H new ATOM 0 HG1 THR A 176 -1.511 -16.334 -2.592 1.00 74.10 H new ATOM 0 HG21 THR A 176 -1.029 -14.484 -4.518 1.00 1.12 H new ATOM 0 HG22 THR A 176 -0.508 -15.680 -5.728 1.00 1.12 H new ATOM 0 HG23 THR A 176 -1.845 -16.063 -4.618 1.00 1.12 H new ATOM 309 N TYR A 177 -0.759 -18.604 -5.828 1.00 50.42 N ATOM 310 CA TYR A 177 -0.899 -19.043 -7.206 1.00 41.50 C ATOM 311 C TYR A 177 -1.140 -17.853 -8.138 1.00 72.24 C ATOM 312 O TYR A 177 -1.487 -16.764 -7.684 1.00 73.11 O ATOM 313 CB TYR A 177 -2.126 -19.955 -7.236 1.00 3.22 C ATOM 314 CG TYR A 177 -1.832 -21.406 -6.850 1.00 4.20 C ATOM 315 CD1 TYR A 177 -1.133 -22.222 -7.716 1.00 4.50 C ATOM 316 CD2 TYR A 177 -2.266 -21.898 -5.636 1.00 65.35 C ATOM 317 CE1 TYR A 177 -0.856 -23.588 -7.353 1.00 1.41 C ATOM 318 CE2 TYR A 177 -1.989 -23.264 -5.273 1.00 62.44 C ATOM 319 CZ TYR A 177 -1.298 -24.042 -6.149 1.00 40.43 C ATOM 320 OH TYR A 177 -1.037 -25.331 -5.806 1.00 65.35 O ATOM 0 H TYR A 177 -1.575 -18.776 -5.241 1.00 50.42 H new ATOM 0 HA TYR A 177 0.006 -19.549 -7.541 1.00 41.50 H new ATOM 0 HB2 TYR A 177 -2.880 -19.555 -6.558 1.00 3.22 H new ATOM 0 HB3 TYR A 177 -2.556 -19.936 -8.238 1.00 3.22 H new ATOM 0 HD1 TYR A 177 -0.794 -21.836 -8.666 1.00 4.50 H new ATOM 0 HD2 TYR A 177 -2.813 -21.259 -4.958 1.00 65.35 H new ATOM 0 HE1 TYR A 177 -0.310 -24.237 -8.021 1.00 1.41 H new ATOM 0 HE2 TYR A 177 -2.323 -23.662 -4.326 1.00 62.44 H new ATOM 0 HH TYR A 177 -1.411 -25.516 -4.919 1.00 65.35 H new ATOM 329 N VAL A 178 -0.946 -18.103 -9.425 1.00 33.00 N ATOM 330 CA VAL A 178 -1.138 -17.067 -10.425 1.00 52.51 C ATOM 331 C VAL A 178 -2.570 -16.539 -10.338 1.00 34.25 C ATOM 332 O VAL A 178 -3.458 -17.223 -9.833 1.00 25.34 O ATOM 333 CB VAL A 178 -0.782 -17.605 -11.812 1.00 54.12 C ATOM 334 CG1 VAL A 178 0.481 -18.468 -11.758 1.00 12.42 C ATOM 335 CG2 VAL A 178 -1.953 -18.385 -12.415 1.00 51.53 C ATOM 0 H VAL A 178 -0.658 -19.008 -9.798 1.00 33.00 H new ATOM 0 HA VAL A 178 -0.470 -16.227 -10.236 1.00 52.51 H new ATOM 0 HB VAL A 178 -0.578 -16.752 -12.460 1.00 54.12 H new ATOM 0 HG11 VAL A 178 0.712 -18.838 -12.757 1.00 12.42 H new ATOM 0 HG12 VAL A 178 1.315 -17.870 -11.391 1.00 12.42 H new ATOM 0 HG13 VAL A 178 0.317 -19.312 -11.088 1.00 12.42 H new ATOM 0 HG21 VAL A 178 -1.674 -18.756 -13.401 1.00 51.53 H new ATOM 0 HG22 VAL A 178 -2.202 -19.226 -11.768 1.00 51.53 H new ATOM 0 HG23 VAL A 178 -2.819 -17.729 -12.507 1.00 51.53 H new ATOM 345 N GLY A 179 -2.753 -15.325 -10.840 1.00 61.35 N ATOM 346 CA GLY A 179 -4.063 -14.698 -10.825 1.00 63.43 C ATOM 347 C GLY A 179 -4.649 -14.684 -9.411 1.00 54.03 C ATOM 348 O GLY A 179 -5.673 -15.312 -9.153 1.00 31.44 O ATOM 0 H GLY A 179 -2.015 -14.760 -11.260 1.00 61.35 H new ATOM 0 HA2 GLY A 179 -3.986 -13.678 -11.201 1.00 63.43 H new ATOM 0 HA3 GLY A 179 -4.734 -15.235 -11.495 1.00 63.43 H new ATOM 352 N GLU A 180 -3.971 -13.958 -8.533 1.00 3.00 N ATOM 353 CA GLU A 180 -4.411 -13.854 -7.152 1.00 12.43 C ATOM 354 C GLU A 180 -4.512 -12.384 -6.737 1.00 70.33 C ATOM 355 O GLU A 180 -4.350 -11.489 -7.566 1.00 44.23 O ATOM 356 CB GLU A 180 -3.476 -14.624 -6.218 1.00 55.43 C ATOM 357 CG GLU A 180 -4.264 -15.335 -5.117 1.00 75.22 C ATOM 358 CD GLU A 180 -3.695 -16.730 -4.849 1.00 54.34 C ATOM 359 OE1 GLU A 180 -3.553 -17.532 -5.783 1.00 13.12 O ATOM 360 OE2 GLU A 180 -3.393 -16.968 -3.617 1.00 70.31 O ATOM 0 H GLU A 180 -3.122 -13.437 -8.751 1.00 3.00 H new ATOM 0 HA GLU A 180 -5.401 -14.304 -7.072 1.00 12.43 H new ATOM 0 HB2 GLU A 180 -2.905 -15.355 -6.791 1.00 55.43 H new ATOM 0 HB3 GLU A 180 -2.757 -13.938 -5.770 1.00 55.43 H new ATOM 0 HG2 GLU A 180 -4.232 -14.743 -4.202 1.00 75.22 H new ATOM 0 HG3 GLU A 180 -5.311 -15.415 -5.408 1.00 75.22 H new ATOM 366 N ASN A 181 -4.779 -12.181 -5.455 1.00 75.51 N ATOM 367 CA ASN A 181 -4.903 -10.836 -4.921 1.00 35.02 C ATOM 368 C ASN A 181 -4.405 -10.818 -3.475 1.00 61.12 C ATOM 369 O ASN A 181 -4.717 -11.718 -2.696 1.00 72.01 O ATOM 370 CB ASN A 181 -6.362 -10.374 -4.924 1.00 33.10 C ATOM 371 CG ASN A 181 -7.124 -10.974 -6.107 1.00 23.33 C ATOM 372 OD1 ASN A 181 -7.214 -10.165 -7.159 1.00 41.12 O flip ATOM 373 ND2 ASN A 181 -7.600 -12.097 -6.068 1.00 70.33 N flip ATOM 0 H ASN A 181 -4.913 -12.926 -4.771 1.00 75.51 H new ATOM 0 HA ASN A 181 -4.312 -10.169 -5.548 1.00 35.02 H new ATOM 0 HB2 ASN A 181 -6.842 -10.668 -3.991 1.00 33.10 H new ATOM 0 HB3 ASN A 181 -6.403 -9.286 -4.975 1.00 33.10 H new ATOM 0 HD21 ASN A 181 -7.495 -12.667 -5.228 1.00 70.33 H new ATOM 0 HD22 ASN A 181 -8.103 -12.466 -6.875 1.00 70.33 H new ATOM 379 N LEU A 182 -3.639 -9.784 -3.158 1.00 72.20 N ATOM 380 CA LEU A 182 -3.094 -9.638 -1.820 1.00 5.54 C ATOM 381 C LEU A 182 -2.953 -8.150 -1.491 1.00 51.52 C ATOM 382 O LEU A 182 -2.671 -7.340 -2.373 1.00 70.23 O ATOM 383 CB LEU A 182 -1.791 -10.425 -1.683 1.00 41.05 C ATOM 384 CG LEU A 182 -0.876 -10.426 -2.909 1.00 12.41 C ATOM 385 CD1 LEU A 182 -1.537 -11.147 -4.086 1.00 10.43 C ATOM 386 CD2 LEU A 182 -0.447 -9.004 -3.275 1.00 1.35 C ATOM 0 H LEU A 182 -3.383 -9.039 -3.806 1.00 72.20 H new ATOM 0 HA LEU A 182 -3.774 -10.064 -1.083 1.00 5.54 H new ATOM 0 HB2 LEU A 182 -1.233 -10.021 -0.838 1.00 41.05 H new ATOM 0 HB3 LEU A 182 -2.038 -11.458 -1.438 1.00 41.05 H new ATOM 0 HG LEU A 182 0.029 -10.980 -2.659 1.00 12.41 H new ATOM 0 HD11 LEU A 182 -0.866 -11.133 -4.945 1.00 10.43 H new ATOM 0 HD12 LEU A 182 -1.749 -12.179 -3.808 1.00 10.43 H new ATOM 0 HD13 LEU A 182 -2.468 -10.643 -4.345 1.00 10.43 H new ATOM 0 HD21 LEU A 182 0.203 -9.034 -4.150 1.00 1.35 H new ATOM 0 HD22 LEU A 182 -1.329 -8.404 -3.498 1.00 1.35 H new ATOM 0 HD23 LEU A 182 0.092 -8.560 -2.438 1.00 1.35 H new ATOM 397 N PHE A 183 -3.154 -7.836 -0.220 1.00 13.02 N ATOM 398 CA PHE A 183 -3.053 -6.459 0.236 1.00 70.33 C ATOM 399 C PHE A 183 -1.660 -6.172 0.802 1.00 11.54 C ATOM 400 O PHE A 183 -1.221 -6.830 1.743 1.00 73.33 O ATOM 401 CB PHE A 183 -4.090 -6.277 1.346 1.00 60.34 C ATOM 402 CG PHE A 183 -5.513 -6.661 0.936 1.00 71.25 C ATOM 403 CD1 PHE A 183 -5.800 -6.915 -0.368 1.00 32.30 C ATOM 404 CD2 PHE A 183 -6.491 -6.749 1.877 1.00 3.53 C ATOM 405 CE1 PHE A 183 -7.121 -7.272 -0.749 1.00 4.33 C ATOM 406 CE2 PHE A 183 -7.812 -7.104 1.497 1.00 51.15 C ATOM 407 CZ PHE A 183 -8.099 -7.358 0.193 1.00 31.11 C ATOM 0 H PHE A 183 -3.386 -8.511 0.509 1.00 13.02 H new ATOM 0 HA PHE A 183 -3.226 -5.777 -0.596 1.00 70.33 H new ATOM 0 HB2 PHE A 183 -3.796 -6.878 2.206 1.00 60.34 H new ATOM 0 HB3 PHE A 183 -4.084 -5.236 1.668 1.00 60.34 H new ATOM 0 HD1 PHE A 183 -5.023 -6.845 -1.115 1.00 32.30 H new ATOM 0 HD2 PHE A 183 -6.263 -6.549 2.913 1.00 3.53 H new ATOM 0 HE1 PHE A 183 -7.349 -7.475 -1.785 1.00 4.33 H new ATOM 0 HE2 PHE A 183 -8.589 -7.172 2.244 1.00 51.15 H new ATOM 0 HZ PHE A 183 -9.104 -7.628 -0.096 1.00 31.11 H new ATOM 416 N ILE A 184 -1.006 -5.186 0.205 1.00 51.52 N ATOM 417 CA ILE A 184 0.327 -4.802 0.638 1.00 3.01 C ATOM 418 C ILE A 184 0.237 -4.115 2.002 1.00 41.31 C ATOM 419 O ILE A 184 -0.835 -3.666 2.406 1.00 20.52 O ATOM 420 CB ILE A 184 1.016 -3.955 -0.434 1.00 24.15 C ATOM 421 CG1 ILE A 184 1.636 -4.840 -1.517 1.00 71.32 C ATOM 422 CG2 ILE A 184 2.042 -3.009 0.191 1.00 43.44 C ATOM 423 CD1 ILE A 184 0.570 -5.697 -2.202 1.00 41.41 C ATOM 0 H ILE A 184 -1.374 -4.642 -0.575 1.00 51.52 H new ATOM 0 HA ILE A 184 0.955 -5.684 0.766 1.00 3.01 H new ATOM 0 HB ILE A 184 0.261 -3.336 -0.918 1.00 24.15 H new ATOM 0 HG12 ILE A 184 2.138 -4.217 -2.257 1.00 71.32 H new ATOM 0 HG13 ILE A 184 2.396 -5.484 -1.074 1.00 71.32 H new ATOM 0 HG21 ILE A 184 2.517 -2.419 -0.592 1.00 43.44 H new ATOM 0 HG22 ILE A 184 1.542 -2.343 0.894 1.00 43.44 H new ATOM 0 HG23 ILE A 184 2.799 -3.590 0.717 1.00 43.44 H new ATOM 0 HD11 ILE A 184 1.038 -6.316 -2.967 1.00 41.41 H new ATOM 0 HD12 ILE A 184 0.087 -6.336 -1.463 1.00 41.41 H new ATOM 0 HD13 ILE A 184 -0.175 -5.050 -2.664 1.00 41.41 H new ATOM 434 N CYS A 185 1.377 -4.053 2.674 1.00 21.30 N ATOM 435 CA CYS A 185 1.440 -3.428 3.984 1.00 52.21 C ATOM 436 C CYS A 185 2.807 -2.755 4.129 1.00 44.03 C ATOM 437 O CYS A 185 2.895 -1.602 4.550 1.00 32.43 O ATOM 438 CB CYS A 185 1.177 -4.434 5.105 1.00 62.52 C ATOM 439 SG CYS A 185 -0.015 -5.702 4.541 1.00 22.34 S ATOM 0 H CYS A 185 2.264 -4.425 2.336 1.00 21.30 H new ATOM 0 HA CYS A 185 0.655 -2.677 4.069 1.00 52.21 H new ATOM 0 HB2 CYS A 185 2.111 -4.909 5.405 1.00 62.52 H new ATOM 0 HB3 CYS A 185 0.785 -3.919 5.982 1.00 62.52 H new ATOM 0 HG CYS A 185 -0.070 -6.664 5.413 1.00 22.34 H new ATOM 444 N ALA A 186 3.840 -3.505 3.775 1.00 64.31 N ATOM 445 CA ALA A 186 5.199 -2.996 3.861 1.00 14.21 C ATOM 446 C ALA A 186 5.833 -3.011 2.469 1.00 31.33 C ATOM 447 O ALA A 186 5.308 -3.639 1.550 1.00 13.44 O ATOM 448 CB ALA A 186 5.992 -3.826 4.872 1.00 64.54 C ATOM 0 H ALA A 186 3.764 -4.461 3.428 1.00 64.31 H new ATOM 0 HA ALA A 186 5.201 -1.964 4.213 1.00 14.21 H new ATOM 0 HB1 ALA A 186 7.011 -3.444 4.937 1.00 64.54 H new ATOM 0 HB2 ALA A 186 5.517 -3.759 5.851 1.00 64.54 H new ATOM 0 HB3 ALA A 186 6.014 -4.867 4.550 1.00 64.54 H new ATOM 454 N HIS A 187 6.953 -2.312 2.357 1.00 74.31 N ATOM 455 CA HIS A 187 7.665 -2.237 1.092 1.00 32.42 C ATOM 456 C HIS A 187 9.140 -1.926 1.351 1.00 71.33 C ATOM 457 O HIS A 187 9.463 -1.042 2.143 1.00 62.51 O ATOM 458 CB HIS A 187 7.002 -1.226 0.155 1.00 24.41 C ATOM 459 CG HIS A 187 7.800 0.040 -0.046 1.00 23.03 C ATOM 460 ND1 HIS A 187 8.887 0.114 -0.900 1.00 2.25 N ATOM 461 CD2 HIS A 187 7.658 1.280 0.505 1.00 13.12 C ATOM 462 CE1 HIS A 187 9.369 1.348 -0.857 1.00 62.12 C ATOM 463 NE2 HIS A 187 8.607 2.068 0.015 1.00 0.14 N ATOM 0 H HIS A 187 7.385 -1.793 3.121 1.00 74.31 H new ATOM 0 HA HIS A 187 7.616 -3.201 0.585 1.00 32.42 H new ATOM 0 HB2 HIS A 187 6.838 -1.697 -0.814 1.00 24.41 H new ATOM 0 HB3 HIS A 187 6.021 -0.966 0.553 1.00 24.41 H new ATOM 0 HD2 HIS A 187 6.902 1.571 1.219 1.00 13.12 H new ATOM 0 HE1 HIS A 187 10.217 1.718 -1.415 1.00 62.12 H new ATOM 0 HE2 HIS A 187 8.744 3.051 0.252 1.00 0.14 H new ATOM 471 N HIS A 188 9.998 -2.671 0.668 1.00 3.01 N ATOM 472 CA HIS A 188 11.432 -2.486 0.815 1.00 62.43 C ATOM 473 C HIS A 188 12.125 -2.774 -0.519 1.00 2.30 C ATOM 474 O HIS A 188 11.653 -3.595 -1.304 1.00 11.12 O ATOM 475 CB HIS A 188 11.975 -3.342 1.961 1.00 40.11 C ATOM 476 CG HIS A 188 11.204 -4.620 2.193 1.00 42.42 C ATOM 477 ND1 HIS A 188 11.119 -5.228 3.434 1.00 32.13 N ATOM 478 CD2 HIS A 188 10.486 -5.395 1.332 1.00 25.33 C ATOM 479 CE1 HIS A 188 10.379 -6.321 3.312 1.00 52.44 C ATOM 480 NE2 HIS A 188 9.989 -6.423 2.010 1.00 32.03 N ATOM 0 H HIS A 188 9.727 -3.403 0.012 1.00 3.01 H new ATOM 0 HA HIS A 188 11.644 -1.450 1.080 1.00 62.43 H new ATOM 0 HB2 HIS A 188 13.016 -3.590 1.753 1.00 40.11 H new ATOM 0 HB3 HIS A 188 11.965 -2.752 2.878 1.00 40.11 H new ATOM 0 HD1 HIS A 188 11.552 -4.892 4.295 1.00 32.13 H new ATOM 0 HD2 HIS A 188 10.345 -5.205 0.278 1.00 25.33 H new ATOM 0 HE1 HIS A 188 10.129 -7.010 4.105 1.00 52.44 H new ATOM 487 N ASN A 189 13.233 -2.081 -0.734 1.00 11.21 N ATOM 488 CA ASN A 189 13.996 -2.250 -1.959 1.00 71.53 C ATOM 489 C ASN A 189 13.123 -1.867 -3.156 1.00 21.20 C ATOM 490 O ASN A 189 13.445 -2.199 -4.296 1.00 65.42 O ATOM 491 CB ASN A 189 14.433 -3.705 -2.139 1.00 25.03 C ATOM 492 CG ASN A 189 15.564 -4.062 -1.172 1.00 12.13 C ATOM 493 OD1 ASN A 189 15.940 -3.291 -0.305 1.00 10.35 O ATOM 494 ND2 ASN A 189 16.083 -5.271 -1.370 1.00 40.43 N ATOM 0 H ASN A 189 13.621 -1.401 -0.080 1.00 11.21 H new ATOM 0 HA ASN A 189 14.878 -1.613 -1.897 1.00 71.53 H new ATOM 0 HB2 ASN A 189 13.584 -4.367 -1.971 1.00 25.03 H new ATOM 0 HB3 ASN A 189 14.763 -3.865 -3.165 1.00 25.03 H new ATOM 0 HD21 ASN A 189 16.843 -5.603 -0.777 1.00 40.43 H new ATOM 0 HD22 ASN A 189 15.720 -5.866 -2.115 1.00 40.43 H new ATOM 500 N CYS A 190 12.035 -1.173 -2.855 1.00 55.40 N ATOM 501 CA CYS A 190 11.113 -0.741 -3.893 1.00 2.40 C ATOM 502 C CYS A 190 10.934 -1.890 -4.886 1.00 61.55 C ATOM 503 O CYS A 190 10.651 -1.662 -6.060 1.00 74.02 O ATOM 504 CB CYS A 190 11.594 0.538 -4.581 1.00 61.13 C ATOM 505 SG CYS A 190 12.965 0.152 -5.730 1.00 35.22 S ATOM 0 H CYS A 190 11.771 -0.899 -1.909 1.00 55.40 H new ATOM 0 HA CYS A 190 10.150 -0.495 -3.447 1.00 2.40 H new ATOM 0 HB2 CYS A 190 10.771 0.999 -5.126 1.00 61.13 H new ATOM 0 HB3 CYS A 190 11.926 1.260 -3.835 1.00 61.13 H new ATOM 0 HG CYS A 190 13.530 -0.963 -5.373 1.00 35.22 H new ATOM 510 N GLU A 191 11.106 -3.102 -4.377 1.00 53.24 N ATOM 511 CA GLU A 191 10.969 -4.288 -5.205 1.00 24.14 C ATOM 512 C GLU A 191 10.172 -5.363 -4.463 1.00 61.05 C ATOM 513 O GLU A 191 9.377 -6.081 -5.067 1.00 72.01 O ATOM 514 CB GLU A 191 12.337 -4.818 -5.637 1.00 60.00 C ATOM 515 CG GLU A 191 12.192 -6.091 -6.473 1.00 0.01 C ATOM 516 CD GLU A 191 13.291 -6.177 -7.535 1.00 1.12 C ATOM 517 OE1 GLU A 191 14.482 -6.209 -7.193 1.00 42.33 O ATOM 518 OE2 GLU A 191 12.869 -6.213 -8.753 1.00 52.51 O ATOM 0 H GLU A 191 11.339 -3.288 -3.401 1.00 53.24 H new ATOM 0 HA GLU A 191 10.422 -4.016 -6.108 1.00 24.14 H new ATOM 0 HB2 GLU A 191 12.860 -4.056 -6.215 1.00 60.00 H new ATOM 0 HB3 GLU A 191 12.946 -5.024 -4.757 1.00 60.00 H new ATOM 0 HG2 GLU A 191 12.240 -6.965 -5.823 1.00 0.01 H new ATOM 0 HG3 GLU A 191 11.214 -6.105 -6.954 1.00 0.01 H new ATOM 524 N TRP A 192 10.414 -5.441 -3.162 1.00 14.21 N ATOM 525 CA TRP A 192 9.730 -6.417 -2.331 1.00 42.41 C ATOM 526 C TRP A 192 8.616 -5.694 -1.572 1.00 30.03 C ATOM 527 O TRP A 192 8.825 -4.601 -1.046 1.00 74.33 O ATOM 528 CB TRP A 192 10.714 -7.135 -1.405 1.00 72.43 C ATOM 529 CG TRP A 192 11.627 -8.133 -2.121 1.00 73.21 C ATOM 530 CD1 TRP A 192 12.924 -7.992 -2.428 1.00 44.11 C ATOM 531 CD2 TRP A 192 11.257 -9.439 -2.611 1.00 41.10 C ATOM 532 NE1 TRP A 192 13.415 -9.106 -3.077 1.00 63.11 N ATOM 533 CE2 TRP A 192 12.368 -10.015 -3.191 1.00 40.21 C ATOM 534 CE3 TRP A 192 10.024 -10.111 -2.564 1.00 20.55 C ATOM 535 CZ2 TRP A 192 12.358 -11.290 -3.769 1.00 24.24 C ATOM 536 CZ3 TRP A 192 10.029 -11.385 -3.146 1.00 21.41 C ATOM 537 CH2 TRP A 192 11.140 -11.978 -3.735 1.00 63.43 C ATOM 0 H TRP A 192 11.074 -4.844 -2.664 1.00 14.21 H new ATOM 0 HA TRP A 192 9.283 -7.199 -2.944 1.00 42.41 H new ATOM 0 HB2 TRP A 192 11.331 -6.391 -0.900 1.00 72.43 H new ATOM 0 HB3 TRP A 192 10.153 -7.661 -0.633 1.00 72.43 H new ATOM 0 HD1 TRP A 192 13.511 -7.116 -2.196 1.00 44.11 H new ATOM 0 HE1 TRP A 192 14.369 -9.239 -3.411 1.00 63.11 H new ATOM 0 HE3 TRP A 192 9.142 -9.679 -2.115 1.00 20.55 H new ATOM 0 HZ2 TRP A 192 13.242 -11.719 -4.217 1.00 24.24 H new ATOM 0 HZ3 TRP A 192 9.106 -11.946 -3.137 1.00 21.41 H new ATOM 0 HH2 TRP A 192 11.063 -12.966 -4.165 1.00 63.43 H new ATOM 547 N PHE A 193 7.455 -6.332 -1.540 1.00 4.32 N ATOM 548 CA PHE A 193 6.307 -5.763 -0.854 1.00 12.13 C ATOM 549 C PHE A 193 5.693 -6.772 0.118 1.00 43.33 C ATOM 550 O PHE A 193 5.417 -7.911 -0.256 1.00 22.14 O ATOM 551 CB PHE A 193 5.274 -5.414 -1.927 1.00 13.42 C ATOM 552 CG PHE A 193 5.761 -4.384 -2.949 1.00 12.23 C ATOM 553 CD1 PHE A 193 6.712 -3.476 -2.598 1.00 32.35 C ATOM 554 CD2 PHE A 193 5.245 -4.378 -4.207 1.00 3.54 C ATOM 555 CE1 PHE A 193 7.163 -2.521 -3.547 1.00 52.54 C ATOM 556 CE2 PHE A 193 5.697 -3.422 -5.155 1.00 2.35 C ATOM 557 CZ PHE A 193 6.646 -2.513 -4.805 1.00 62.23 C ATOM 0 H PHE A 193 7.285 -7.237 -1.978 1.00 4.32 H new ATOM 0 HA PHE A 193 6.612 -4.887 -0.281 1.00 12.13 H new ATOM 0 HB2 PHE A 193 4.989 -6.325 -2.453 1.00 13.42 H new ATOM 0 HB3 PHE A 193 4.376 -5.032 -1.441 1.00 13.42 H new ATOM 0 HD1 PHE A 193 7.123 -3.482 -1.599 1.00 32.35 H new ATOM 0 HD2 PHE A 193 4.492 -5.100 -4.485 1.00 3.54 H new ATOM 0 HE1 PHE A 193 7.918 -1.800 -3.270 1.00 52.54 H new ATOM 0 HE2 PHE A 193 5.287 -3.417 -6.154 1.00 2.35 H new ATOM 0 HZ PHE A 193 6.989 -1.785 -5.526 1.00 62.23 H new ATOM 566 N ILE A 194 5.499 -6.318 1.348 1.00 12.01 N ATOM 567 CA ILE A 194 4.924 -7.167 2.377 1.00 51.12 C ATOM 568 C ILE A 194 3.401 -7.024 2.357 1.00 20.32 C ATOM 569 O ILE A 194 2.858 -6.042 2.860 1.00 15.31 O ATOM 570 CB ILE A 194 5.552 -6.860 3.738 1.00 10.40 C ATOM 571 CG1 ILE A 194 7.068 -6.696 3.618 1.00 73.05 C ATOM 572 CG2 ILE A 194 5.170 -7.922 4.771 1.00 53.14 C ATOM 573 CD1 ILE A 194 7.742 -8.036 3.317 1.00 44.42 C ATOM 0 H ILE A 194 5.730 -5.373 1.655 1.00 12.01 H new ATOM 0 HA ILE A 194 5.150 -8.214 2.177 1.00 51.12 H new ATOM 0 HB ILE A 194 5.152 -5.909 4.091 1.00 10.40 H new ATOM 0 HG12 ILE A 194 7.299 -5.983 2.827 1.00 73.05 H new ATOM 0 HG13 ILE A 194 7.467 -6.284 4.545 1.00 73.05 H new ATOM 0 HG21 ILE A 194 5.630 -7.680 5.729 1.00 53.14 H new ATOM 0 HG22 ILE A 194 4.086 -7.946 4.884 1.00 53.14 H new ATOM 0 HG23 ILE A 194 5.522 -8.898 4.437 1.00 53.14 H new ATOM 0 HD11 ILE A 194 8.819 -7.891 3.237 1.00 44.42 H new ATOM 0 HD12 ILE A 194 7.529 -8.739 4.122 1.00 44.42 H new ATOM 0 HD13 ILE A 194 7.358 -8.433 2.377 1.00 44.42 H new ATOM 584 N ALA A 195 2.753 -8.020 1.769 1.00 2.31 N ATOM 585 CA ALA A 195 1.303 -8.018 1.676 1.00 44.04 C ATOM 586 C ALA A 195 0.744 -9.198 2.474 1.00 72.04 C ATOM 587 O ALA A 195 1.499 -9.955 3.082 1.00 13.42 O ATOM 588 CB ALA A 195 0.886 -8.059 0.205 1.00 1.33 C ATOM 0 H ALA A 195 3.206 -8.833 1.352 1.00 2.31 H new ATOM 0 HA ALA A 195 0.892 -7.105 2.106 1.00 44.04 H new ATOM 0 HB1 ALA A 195 -0.202 -8.058 0.135 1.00 1.33 H new ATOM 0 HB2 ALA A 195 1.284 -7.185 -0.310 1.00 1.33 H new ATOM 0 HB3 ALA A 195 1.278 -8.964 -0.259 1.00 1.33 H new ATOM 594 N LYS A 196 -0.575 -9.318 2.446 1.00 30.45 N ATOM 595 CA LYS A 196 -1.244 -10.394 3.158 1.00 11.45 C ATOM 596 C LYS A 196 -2.573 -10.708 2.467 1.00 72.32 C ATOM 597 O LYS A 196 -3.112 -9.875 1.740 1.00 41.25 O ATOM 598 CB LYS A 196 -1.390 -10.044 4.640 1.00 63.12 C ATOM 599 CG LYS A 196 -2.686 -9.272 4.897 1.00 15.13 C ATOM 600 CD LYS A 196 -2.596 -8.463 6.193 1.00 74.24 C ATOM 601 CE LYS A 196 -3.786 -7.512 6.330 1.00 52.41 C ATOM 602 NZ LYS A 196 -3.748 -6.820 7.638 1.00 61.11 N ATOM 0 H LYS A 196 -1.199 -8.688 1.941 1.00 30.45 H new ATOM 0 HA LYS A 196 -0.644 -11.304 3.125 1.00 11.45 H new ATOM 0 HB2 LYS A 196 -1.383 -10.957 5.235 1.00 63.12 H new ATOM 0 HB3 LYS A 196 -0.537 -9.447 4.962 1.00 63.12 H new ATOM 0 HG2 LYS A 196 -2.887 -8.603 4.060 1.00 15.13 H new ATOM 0 HG3 LYS A 196 -3.522 -9.968 4.956 1.00 15.13 H new ATOM 0 HD2 LYS A 196 -2.567 -9.140 7.047 1.00 74.24 H new ATOM 0 HD3 LYS A 196 -1.667 -7.893 6.206 1.00 74.24 H new ATOM 0 HE2 LYS A 196 -3.768 -6.779 5.523 1.00 52.41 H new ATOM 0 HE3 LYS A 196 -4.718 -8.069 6.234 1.00 52.41 H new ATOM 0 HZ1 LYS A 196 -4.563 -6.178 7.715 1.00 61.11 H new ATOM 0 HZ2 LYS A 196 -3.787 -7.523 8.404 1.00 61.11 H new ATOM 0 HZ3 LYS A 196 -2.867 -6.272 7.716 1.00 61.11 H new ATOM 611 N PRO A 197 -3.075 -11.945 2.724 1.00 52.13 N ATOM 612 CA PRO A 197 -4.330 -12.381 2.135 1.00 14.12 C ATOM 613 C PRO A 197 -5.521 -11.715 2.828 1.00 54.22 C ATOM 614 O PRO A 197 -5.352 -11.017 3.825 1.00 5.23 O ATOM 615 CB PRO A 197 -4.329 -13.894 2.280 1.00 54.31 C ATOM 616 CG PRO A 197 -3.298 -14.209 3.352 1.00 5.03 C ATOM 617 CD PRO A 197 -2.464 -12.959 3.579 1.00 63.13 C ATOM 0 HA PRO A 197 -4.425 -12.095 1.087 1.00 14.12 H new ATOM 0 HB2 PRO A 197 -5.315 -14.260 2.567 1.00 54.31 H new ATOM 0 HB3 PRO A 197 -4.072 -14.377 1.337 1.00 54.31 H new ATOM 0 HG2 PRO A 197 -3.789 -14.513 4.276 1.00 5.03 H new ATOM 0 HG3 PRO A 197 -2.664 -15.039 3.040 1.00 5.03 H new ATOM 0 HD2 PRO A 197 -2.481 -12.657 4.626 1.00 63.13 H new ATOM 0 HD3 PRO A 197 -1.420 -13.125 3.312 1.00 63.13 H new ATOM 692 N GLY A 203 -0.698 -14.795 5.450 1.00 73.13 N ATOM 693 CA GLY A 203 0.021 -13.538 5.575 1.00 53.13 C ATOM 694 C GLY A 203 0.192 -13.148 7.045 1.00 71.05 C ATOM 695 O GLY A 203 -0.224 -13.885 7.939 1.00 15.54 O ATOM 0 HA2 GLY A 203 0.999 -13.626 5.102 1.00 53.13 H new ATOM 0 HA3 GLY A 203 -0.519 -12.752 5.047 1.00 53.13 H new ATOM 699 N PRO A 204 0.823 -11.962 7.255 1.00 11.15 N ATOM 700 CA PRO A 204 1.284 -11.152 6.141 1.00 32.01 C ATOM 701 C PRO A 204 2.546 -11.750 5.514 1.00 20.41 C ATOM 702 O PRO A 204 3.508 -12.053 6.217 1.00 31.40 O ATOM 703 CB PRO A 204 1.512 -9.768 6.728 1.00 33.01 C ATOM 704 CG PRO A 204 1.616 -9.966 8.231 1.00 11.45 C ATOM 705 CD PRO A 204 1.111 -11.362 8.555 1.00 10.22 C ATOM 0 HA PRO A 204 0.563 -11.110 5.325 1.00 32.01 H new ATOM 0 HB2 PRO A 204 2.422 -9.319 6.329 1.00 33.01 H new ATOM 0 HB3 PRO A 204 0.690 -9.097 6.478 1.00 33.01 H new ATOM 0 HG2 PRO A 204 2.648 -9.848 8.561 1.00 11.45 H new ATOM 0 HG3 PRO A 204 1.026 -9.215 8.756 1.00 11.45 H new ATOM 0 HD2 PRO A 204 1.859 -11.937 9.100 1.00 10.22 H new ATOM 0 HD3 PRO A 204 0.219 -11.325 9.181 1.00 10.22 H new ATOM 710 N GLY A 205 2.500 -11.901 4.199 1.00 3.34 N ATOM 711 CA GLY A 205 3.627 -12.458 3.470 1.00 12.31 C ATOM 712 C GLY A 205 4.281 -11.398 2.580 1.00 61.20 C ATOM 713 O GLY A 205 3.819 -10.259 2.522 1.00 71.31 O ATOM 0 H GLY A 205 1.700 -11.647 3.619 1.00 3.34 H new ATOM 0 HA2 GLY A 205 4.361 -12.851 4.173 1.00 12.31 H new ATOM 0 HA3 GLY A 205 3.291 -13.295 2.858 1.00 12.31 H new ATOM 717 N LEU A 206 5.347 -11.810 1.910 1.00 3.23 N ATOM 718 CA LEU A 206 6.069 -10.911 1.027 1.00 73.24 C ATOM 719 C LEU A 206 5.752 -11.266 -0.427 1.00 63.35 C ATOM 720 O LEU A 206 5.442 -12.416 -0.736 1.00 43.22 O ATOM 721 CB LEU A 206 7.565 -10.928 1.351 1.00 61.23 C ATOM 722 CG LEU A 206 8.511 -10.701 0.170 1.00 3.15 C ATOM 723 CD1 LEU A 206 9.595 -9.681 0.524 1.00 63.55 C ATOM 724 CD2 LEU A 206 9.104 -12.023 -0.319 1.00 73.34 C ATOM 0 H LEU A 206 5.728 -12.755 1.961 1.00 3.23 H new ATOM 0 HA LEU A 206 5.743 -9.883 1.183 1.00 73.24 H new ATOM 0 HB2 LEU A 206 7.763 -10.162 2.101 1.00 61.23 H new ATOM 0 HB3 LEU A 206 7.807 -11.889 1.805 1.00 61.23 H new ATOM 0 HG LEU A 206 7.934 -10.283 -0.655 1.00 3.15 H new ATOM 0 HD11 LEU A 206 10.254 -9.538 -0.333 1.00 63.55 H new ATOM 0 HD12 LEU A 206 9.129 -8.731 0.786 1.00 63.55 H new ATOM 0 HD13 LEU A 206 10.175 -10.046 1.371 1.00 63.55 H new ATOM 0 HD21 LEU A 206 9.773 -11.833 -1.159 1.00 73.34 H new ATOM 0 HD22 LEU A 206 9.662 -12.493 0.491 1.00 73.34 H new ATOM 0 HD23 LEU A 206 8.300 -12.686 -0.638 1.00 73.34 H new ATOM 735 N VAL A 207 5.840 -10.259 -1.282 1.00 11.53 N ATOM 736 CA VAL A 207 5.565 -10.450 -2.696 1.00 2.21 C ATOM 737 C VAL A 207 6.272 -9.358 -3.501 1.00 2.34 C ATOM 738 O VAL A 207 6.186 -8.179 -3.162 1.00 14.44 O ATOM 739 CB VAL A 207 4.054 -10.486 -2.936 1.00 51.13 C ATOM 740 CG1 VAL A 207 3.555 -11.926 -3.066 1.00 31.51 C ATOM 741 CG2 VAL A 207 3.306 -9.744 -1.827 1.00 22.53 C ATOM 0 H VAL A 207 6.098 -9.307 -1.023 1.00 11.53 H new ATOM 0 HA VAL A 207 5.957 -11.409 -3.035 1.00 2.21 H new ATOM 0 HB VAL A 207 3.851 -9.975 -3.877 1.00 51.13 H new ATOM 0 HG11 VAL A 207 2.478 -11.924 -3.236 1.00 31.51 H new ATOM 0 HG12 VAL A 207 4.054 -12.410 -3.906 1.00 31.51 H new ATOM 0 HG13 VAL A 207 3.776 -12.472 -2.149 1.00 31.51 H new ATOM 0 HG21 VAL A 207 2.234 -9.784 -2.021 1.00 22.53 H new ATOM 0 HG22 VAL A 207 3.519 -10.214 -0.867 1.00 22.53 H new ATOM 0 HG23 VAL A 207 3.631 -8.704 -1.802 1.00 22.53 H new ATOM 751 N PRO A 208 6.973 -9.800 -4.579 1.00 25.14 N ATOM 752 CA PRO A 208 7.694 -8.874 -5.435 1.00 33.02 C ATOM 753 C PRO A 208 6.732 -8.096 -6.336 1.00 30.32 C ATOM 754 O PRO A 208 5.541 -8.401 -6.386 1.00 73.32 O ATOM 755 CB PRO A 208 8.671 -9.738 -6.215 1.00 51.24 C ATOM 756 CG PRO A 208 8.145 -11.160 -6.110 1.00 72.33 C ATOM 757 CD PRO A 208 7.096 -11.189 -5.010 1.00 72.13 C ATOM 0 HA PRO A 208 8.224 -8.107 -4.871 1.00 33.02 H new ATOM 0 HB2 PRO A 208 8.730 -9.419 -7.256 1.00 51.24 H new ATOM 0 HB3 PRO A 208 9.676 -9.662 -5.801 1.00 51.24 H new ATOM 0 HG2 PRO A 208 7.712 -11.478 -7.059 1.00 72.33 H new ATOM 0 HG3 PRO A 208 8.956 -11.851 -5.882 1.00 72.33 H new ATOM 0 HD2 PRO A 208 6.146 -11.575 -5.379 1.00 72.13 H new ATOM 0 HD3 PRO A 208 7.403 -11.833 -4.186 1.00 72.13 H new ATOM 762 N VAL A 209 7.284 -7.109 -7.025 1.00 45.33 N ATOM 763 CA VAL A 209 6.489 -6.287 -7.920 1.00 15.45 C ATOM 764 C VAL A 209 6.520 -6.893 -9.325 1.00 13.31 C ATOM 765 O VAL A 209 5.854 -6.399 -10.233 1.00 74.31 O ATOM 766 CB VAL A 209 6.988 -4.839 -7.883 1.00 24.40 C ATOM 767 CG1 VAL A 209 7.876 -4.597 -6.662 1.00 22.11 C ATOM 768 CG2 VAL A 209 7.722 -4.479 -9.176 1.00 31.12 C ATOM 0 H VAL A 209 8.272 -6.860 -6.982 1.00 45.33 H new ATOM 0 HA VAL A 209 5.448 -6.267 -7.597 1.00 15.45 H new ATOM 0 HB VAL A 209 6.119 -4.187 -7.799 1.00 24.40 H new ATOM 0 HG11 VAL A 209 8.217 -3.562 -6.660 1.00 22.11 H new ATOM 0 HG12 VAL A 209 7.307 -4.794 -5.753 1.00 22.11 H new ATOM 0 HG13 VAL A 209 8.738 -5.263 -6.701 1.00 22.11 H new ATOM 0 HG21 VAL A 209 8.066 -3.446 -9.124 1.00 31.12 H new ATOM 0 HG22 VAL A 209 8.579 -5.141 -9.304 1.00 31.12 H new ATOM 0 HG23 VAL A 209 7.045 -4.594 -10.023 1.00 31.12 H new ATOM 778 N GLY A 210 7.301 -7.954 -9.459 1.00 61.44 N ATOM 779 CA GLY A 210 7.428 -8.633 -10.738 1.00 62.24 C ATOM 780 C GLY A 210 6.384 -9.743 -10.875 1.00 65.30 C ATOM 781 O GLY A 210 5.987 -10.092 -11.985 1.00 63.30 O ATOM 0 H GLY A 210 7.852 -8.361 -8.703 1.00 61.44 H new ATOM 0 HA2 GLY A 210 7.309 -7.914 -11.549 1.00 62.24 H new ATOM 0 HA3 GLY A 210 8.428 -9.056 -10.832 1.00 62.24 H new ATOM 785 N PHE A 211 5.969 -10.267 -9.731 1.00 2.31 N ATOM 786 CA PHE A 211 4.979 -11.329 -9.709 1.00 30.55 C ATOM 787 C PHE A 211 3.614 -10.798 -9.262 1.00 33.33 C ATOM 788 O PHE A 211 2.666 -11.566 -9.106 1.00 73.44 O ATOM 789 CB PHE A 211 5.462 -12.371 -8.698 1.00 32.23 C ATOM 790 CG PHE A 211 6.407 -13.419 -9.290 1.00 72.34 C ATOM 791 CD1 PHE A 211 7.719 -13.117 -9.487 1.00 32.13 C ATOM 792 CD2 PHE A 211 5.936 -14.652 -9.618 1.00 10.40 C ATOM 793 CE1 PHE A 211 8.596 -14.090 -10.036 1.00 12.21 C ATOM 794 CE2 PHE A 211 6.814 -15.624 -10.166 1.00 31.30 C ATOM 795 CZ PHE A 211 8.125 -15.323 -10.364 1.00 60.14 C ATOM 0 H PHE A 211 6.301 -9.975 -8.812 1.00 2.31 H new ATOM 0 HA PHE A 211 4.866 -11.752 -10.707 1.00 30.55 H new ATOM 0 HB2 PHE A 211 5.969 -11.860 -7.879 1.00 32.23 H new ATOM 0 HB3 PHE A 211 4.596 -12.877 -8.271 1.00 32.23 H new ATOM 0 HD1 PHE A 211 8.093 -12.138 -9.226 1.00 32.13 H new ATOM 0 HD2 PHE A 211 4.895 -14.892 -9.462 1.00 10.40 H new ATOM 0 HE1 PHE A 211 9.637 -13.851 -10.193 1.00 12.21 H new ATOM 0 HE2 PHE A 211 6.440 -16.603 -10.426 1.00 31.30 H new ATOM 0 HZ PHE A 211 8.792 -16.063 -10.782 1.00 60.14 H new ATOM 804 N VAL A 212 3.559 -9.489 -9.070 1.00 13.01 N ATOM 805 CA VAL A 212 2.327 -8.846 -8.645 1.00 13.03 C ATOM 806 C VAL A 212 2.244 -7.450 -9.267 1.00 63.23 C ATOM 807 O VAL A 212 3.262 -6.875 -9.647 1.00 42.50 O ATOM 808 CB VAL A 212 2.247 -8.827 -7.118 1.00 12.34 C ATOM 809 CG1 VAL A 212 2.773 -10.135 -6.525 1.00 50.32 C ATOM 810 CG2 VAL A 212 2.998 -7.623 -6.545 1.00 3.11 C ATOM 0 H VAL A 212 4.348 -8.855 -9.201 1.00 13.01 H new ATOM 0 HA VAL A 212 1.462 -9.409 -8.995 1.00 13.03 H new ATOM 0 HB VAL A 212 1.198 -8.731 -6.838 1.00 12.34 H new ATOM 0 HG11 VAL A 212 2.705 -10.095 -5.438 1.00 50.32 H new ATOM 0 HG12 VAL A 212 2.176 -10.968 -6.896 1.00 50.32 H new ATOM 0 HG13 VAL A 212 3.813 -10.275 -6.818 1.00 50.32 H new ATOM 0 HG21 VAL A 212 2.926 -7.633 -5.457 1.00 3.11 H new ATOM 0 HG22 VAL A 212 4.046 -7.674 -6.839 1.00 3.11 H new ATOM 0 HG23 VAL A 212 2.558 -6.703 -6.929 1.00 3.11 H new ATOM 820 N SER A 213 1.021 -6.946 -9.351 1.00 72.44 N ATOM 821 CA SER A 213 0.792 -5.629 -9.919 1.00 35.43 C ATOM 822 C SER A 213 -0.088 -4.801 -8.982 1.00 43.53 C ATOM 823 O SER A 213 -1.133 -5.266 -8.532 1.00 33.45 O ATOM 824 CB SER A 213 0.145 -5.731 -11.303 1.00 62.14 C ATOM 825 OG SER A 213 -0.497 -4.517 -11.681 1.00 13.34 O ATOM 0 H SER A 213 0.179 -7.427 -9.035 1.00 72.44 H new ATOM 0 HA SER A 213 1.756 -5.134 -10.034 1.00 35.43 H new ATOM 0 HB2 SER A 213 0.906 -5.984 -12.041 1.00 62.14 H new ATOM 0 HB3 SER A 213 -0.583 -6.542 -11.304 1.00 62.14 H new ATOM 0 HG SER A 213 -0.896 -4.621 -12.570 1.00 13.34 H new ATOM 830 N ILE A 214 0.368 -3.585 -8.714 1.00 64.45 N ATOM 831 CA ILE A 214 -0.364 -2.687 -7.837 1.00 71.54 C ATOM 832 C ILE A 214 -1.597 -2.158 -8.572 1.00 24.43 C ATOM 833 O ILE A 214 -1.505 -1.731 -9.721 1.00 73.23 O ATOM 834 CB ILE A 214 0.557 -1.585 -7.309 1.00 71.43 C ATOM 835 CG1 ILE A 214 1.868 -2.171 -6.784 1.00 70.02 C ATOM 836 CG2 ILE A 214 -0.155 -0.735 -6.255 1.00 23.11 C ATOM 837 CD1 ILE A 214 1.746 -2.552 -5.307 1.00 20.12 C ATOM 0 H ILE A 214 1.235 -3.201 -9.089 1.00 64.45 H new ATOM 0 HA ILE A 214 -0.721 -3.221 -6.956 1.00 71.54 H new ATOM 0 HB ILE A 214 0.810 -0.924 -8.138 1.00 71.43 H new ATOM 0 HG12 ILE A 214 2.137 -3.050 -7.369 1.00 70.02 H new ATOM 0 HG13 ILE A 214 2.671 -1.445 -6.911 1.00 70.02 H new ATOM 0 HG21 ILE A 214 0.521 0.041 -5.896 1.00 23.11 H new ATOM 0 HG22 ILE A 214 -1.037 -0.272 -6.697 1.00 23.11 H new ATOM 0 HG23 ILE A 214 -0.457 -1.368 -5.420 1.00 23.11 H new ATOM 0 HD11 ILE A 214 2.692 -2.966 -4.959 1.00 20.12 H new ATOM 0 HD12 ILE A 214 1.500 -1.666 -4.722 1.00 20.12 H new ATOM 0 HD13 ILE A 214 0.958 -3.296 -5.187 1.00 20.12 H new ATOM 848 N ILE A 215 -2.724 -2.205 -7.878 1.00 3.25 N ATOM 849 CA ILE A 215 -3.976 -1.736 -8.450 1.00 42.45 C ATOM 850 C ILE A 215 -5.006 -1.555 -7.332 1.00 34.21 C ATOM 851 O ILE A 215 -4.750 -1.911 -6.183 1.00 73.33 O ATOM 852 CB ILE A 215 -4.439 -2.673 -9.566 1.00 75.24 C ATOM 853 CG1 ILE A 215 -4.117 -4.131 -9.229 1.00 0.51 C ATOM 854 CG2 ILE A 215 -3.847 -2.254 -10.915 1.00 4.23 C ATOM 855 CD1 ILE A 215 -4.543 -5.063 -10.364 1.00 74.25 C ATOM 0 H ILE A 215 -2.797 -2.560 -6.925 1.00 3.25 H new ATOM 0 HA ILE A 215 -3.839 -0.762 -8.919 1.00 42.45 H new ATOM 0 HB ILE A 215 -5.523 -2.593 -9.649 1.00 75.24 H new ATOM 0 HG12 ILE A 215 -3.048 -4.238 -9.048 1.00 0.51 H new ATOM 0 HG13 ILE A 215 -4.627 -4.416 -8.309 1.00 0.51 H new ATOM 0 HG21 ILE A 215 -4.192 -2.937 -11.692 1.00 4.23 H new ATOM 0 HG22 ILE A 215 -4.168 -1.240 -11.154 1.00 4.23 H new ATOM 0 HG23 ILE A 215 -2.759 -2.286 -10.861 1.00 4.23 H new ATOM 0 HD11 ILE A 215 -4.303 -6.093 -10.099 1.00 74.25 H new ATOM 0 HD12 ILE A 215 -5.617 -4.971 -10.527 1.00 74.25 H new ATOM 0 HD13 ILE A 215 -4.013 -4.790 -11.277 1.00 74.25 H new ATOM 991 N ASP A 226 3.751 3.883 -12.296 1.00 53.41 N ATOM 992 CA ASP A 226 4.599 2.727 -12.057 1.00 1.53 C ATOM 993 C ASP A 226 4.549 2.363 -10.572 1.00 73.12 C ATOM 994 O ASP A 226 4.427 3.239 -9.717 1.00 13.45 O ATOM 995 CB ASP A 226 6.054 3.027 -12.422 1.00 11.32 C ATOM 996 CG ASP A 226 6.597 2.237 -13.615 1.00 43.15 C ATOM 997 OD1 ASP A 226 5.980 1.263 -14.070 1.00 10.43 O ATOM 998 OD2 ASP A 226 7.720 2.663 -14.085 1.00 34.23 O ATOM 0 HA ASP A 226 4.234 1.907 -12.675 1.00 1.53 H new ATOM 0 HB2 ASP A 226 6.147 4.091 -12.638 1.00 11.32 H new ATOM 0 HB3 ASP A 226 6.680 2.822 -11.554 1.00 11.32 H new ATOM 1003 N VAL A 227 4.648 1.069 -10.310 1.00 63.04 N ATOM 1004 CA VAL A 227 4.616 0.577 -8.942 1.00 54.13 C ATOM 1005 C VAL A 227 5.412 1.527 -8.046 1.00 44.33 C ATOM 1006 O VAL A 227 4.890 2.037 -7.056 1.00 24.13 O ATOM 1007 CB VAL A 227 5.129 -0.864 -8.892 1.00 55.22 C ATOM 1008 CG1 VAL A 227 6.199 -1.102 -9.960 1.00 2.31 C ATOM 1009 CG2 VAL A 227 5.659 -1.208 -7.499 1.00 42.23 C ATOM 0 H VAL A 227 4.750 0.345 -11.021 1.00 63.04 H new ATOM 0 HA VAL A 227 3.593 0.556 -8.566 1.00 54.13 H new ATOM 0 HB VAL A 227 4.290 -1.527 -9.105 1.00 55.22 H new ATOM 0 HG11 VAL A 227 6.547 -2.133 -9.903 1.00 2.31 H new ATOM 0 HG12 VAL A 227 5.776 -0.916 -10.947 1.00 2.31 H new ATOM 0 HG13 VAL A 227 7.038 -0.426 -9.792 1.00 2.31 H new ATOM 0 HG21 VAL A 227 6.018 -2.237 -7.490 1.00 42.23 H new ATOM 0 HG22 VAL A 227 6.479 -0.536 -7.245 1.00 42.23 H new ATOM 0 HG23 VAL A 227 4.859 -1.096 -6.767 1.00 42.23 H new ATOM 1019 N ILE A 228 6.665 1.737 -8.423 1.00 34.03 N ATOM 1020 CA ILE A 228 7.539 2.617 -7.666 1.00 2.15 C ATOM 1021 C ILE A 228 6.886 3.995 -7.545 1.00 11.12 C ATOM 1022 O ILE A 228 6.897 4.599 -6.473 1.00 11.15 O ATOM 1023 CB ILE A 228 8.936 2.651 -8.288 1.00 64.45 C ATOM 1024 CG1 ILE A 228 9.639 1.301 -8.129 1.00 4.22 C ATOM 1025 CG2 ILE A 228 9.764 3.800 -7.712 1.00 52.13 C ATOM 1026 CD1 ILE A 228 10.195 0.811 -9.467 1.00 73.10 C ATOM 0 H ILE A 228 7.096 1.312 -9.244 1.00 34.03 H new ATOM 0 HA ILE A 228 7.676 2.238 -6.653 1.00 2.15 H new ATOM 0 HB ILE A 228 8.830 2.835 -9.357 1.00 64.45 H new ATOM 0 HG12 ILE A 228 10.450 1.392 -7.406 1.00 4.22 H new ATOM 0 HG13 ILE A 228 8.938 0.567 -7.732 1.00 4.22 H new ATOM 0 HG21 ILE A 228 10.753 3.802 -8.171 1.00 52.13 H new ATOM 0 HG22 ILE A 228 9.266 4.747 -7.920 1.00 52.13 H new ATOM 0 HG23 ILE A 228 9.864 3.671 -6.634 1.00 52.13 H new ATOM 0 HD11 ILE A 228 10.689 -0.150 -9.326 1.00 73.10 H new ATOM 0 HD12 ILE A 228 9.379 0.698 -10.181 1.00 73.10 H new ATOM 0 HD13 ILE A 228 10.914 1.536 -9.850 1.00 73.10 H new ATOM 1037 N GLU A 229 6.333 4.453 -8.658 1.00 73.41 N ATOM 1038 CA GLU A 229 5.677 5.749 -8.691 1.00 73.25 C ATOM 1039 C GLU A 229 4.368 5.702 -7.900 1.00 72.41 C ATOM 1040 O GLU A 229 3.795 6.741 -7.578 1.00 21.32 O ATOM 1041 CB GLU A 229 5.432 6.204 -10.130 1.00 34.03 C ATOM 1042 CG GLU A 229 6.734 6.206 -10.934 1.00 40.13 C ATOM 1043 CD GLU A 229 6.570 6.982 -12.243 1.00 2.41 C ATOM 1044 OE1 GLU A 229 6.776 8.205 -12.268 1.00 30.35 O ATOM 1045 OE2 GLU A 229 6.216 6.271 -13.258 1.00 73.40 O ATOM 0 H GLU A 229 6.326 3.949 -9.545 1.00 73.41 H new ATOM 0 HA GLU A 229 6.336 6.479 -8.222 1.00 73.25 H new ATOM 0 HB2 GLU A 229 4.708 5.543 -10.606 1.00 34.03 H new ATOM 0 HB3 GLU A 229 4.999 7.204 -10.130 1.00 34.03 H new ATOM 0 HG2 GLU A 229 7.531 6.652 -10.340 1.00 40.13 H new ATOM 0 HG3 GLU A 229 7.033 5.181 -11.150 1.00 40.13 H new ATOM 1051 N ASP A 230 3.933 4.484 -7.611 1.00 71.40 N ATOM 1052 CA ASP A 230 2.702 4.287 -6.865 1.00 4.41 C ATOM 1053 C ASP A 230 3.008 4.322 -5.366 1.00 2.15 C ATOM 1054 O ASP A 230 2.131 4.622 -4.556 1.00 74.42 O ATOM 1055 CB ASP A 230 2.073 2.930 -7.187 1.00 41.13 C ATOM 1056 CG ASP A 230 0.799 2.992 -8.032 1.00 64.52 C ATOM 1057 OD1 ASP A 230 -0.156 3.708 -7.696 1.00 21.01 O ATOM 1058 OD2 ASP A 230 0.810 2.253 -9.089 1.00 21.42 O ATOM 0 H ASP A 230 4.411 3.624 -7.880 1.00 71.40 H new ATOM 0 HA ASP A 230 2.009 5.081 -7.143 1.00 4.41 H new ATOM 0 HB2 ASP A 230 2.809 2.320 -7.711 1.00 41.13 H new ATOM 0 HB3 ASP A 230 1.846 2.421 -6.251 1.00 41.13 H new ATOM 1063 N ILE A 231 4.255 4.013 -5.042 1.00 23.50 N ATOM 1064 CA ILE A 231 4.687 4.005 -3.654 1.00 55.20 C ATOM 1065 C ILE A 231 4.525 5.408 -3.066 1.00 74.11 C ATOM 1066 O ILE A 231 3.675 5.630 -2.206 1.00 62.14 O ATOM 1067 CB ILE A 231 6.108 3.450 -3.540 1.00 50.53 C ATOM 1068 CG1 ILE A 231 6.090 1.936 -3.323 1.00 41.43 C ATOM 1069 CG2 ILE A 231 6.894 4.176 -2.445 1.00 12.04 C ATOM 1070 CD1 ILE A 231 6.755 1.207 -4.493 1.00 71.30 C ATOM 0 H ILE A 231 4.980 3.766 -5.716 1.00 23.50 H new ATOM 0 HA ILE A 231 4.060 3.338 -3.063 1.00 55.20 H new ATOM 0 HB ILE A 231 6.623 3.634 -4.483 1.00 50.53 H new ATOM 0 HG12 ILE A 231 6.608 1.692 -2.396 1.00 41.43 H new ATOM 0 HG13 ILE A 231 5.061 1.593 -3.213 1.00 41.43 H new ATOM 0 HG21 ILE A 231 7.901 3.762 -2.385 1.00 12.04 H new ATOM 0 HG22 ILE A 231 6.952 5.238 -2.682 1.00 12.04 H new ATOM 0 HG23 ILE A 231 6.390 4.045 -1.488 1.00 12.04 H new ATOM 0 HD11 ILE A 231 6.729 0.132 -4.314 1.00 71.30 H new ATOM 0 HD12 ILE A 231 6.220 1.434 -5.415 1.00 71.30 H new ATOM 0 HD13 ILE A 231 7.791 1.535 -4.585 1.00 71.30 H new ATOM 1081 N LYS A 232 5.354 6.320 -3.556 1.00 23.51 N ATOM 1082 CA LYS A 232 5.312 7.695 -3.090 1.00 40.35 C ATOM 1083 C LYS A 232 3.901 8.253 -3.284 1.00 33.01 C ATOM 1084 O LYS A 232 3.482 9.157 -2.563 1.00 52.34 O ATOM 1085 CB LYS A 232 6.402 8.525 -3.773 1.00 24.42 C ATOM 1086 CG LYS A 232 5.989 8.905 -5.196 1.00 61.14 C ATOM 1087 CD LYS A 232 6.378 7.809 -6.190 1.00 15.01 C ATOM 1088 CE LYS A 232 7.865 7.468 -6.077 1.00 52.42 C ATOM 1089 NZ LYS A 232 8.642 8.663 -5.675 1.00 22.42 N ATOM 0 H LYS A 232 6.058 6.133 -4.270 1.00 23.51 H new ATOM 0 HA LYS A 232 5.529 7.742 -2.023 1.00 40.35 H new ATOM 0 HB2 LYS A 232 6.594 9.427 -3.193 1.00 24.42 H new ATOM 0 HB3 LYS A 232 7.333 7.959 -3.799 1.00 24.42 H new ATOM 0 HG2 LYS A 232 4.912 9.070 -5.234 1.00 61.14 H new ATOM 0 HG3 LYS A 232 6.466 9.843 -5.479 1.00 61.14 H new ATOM 0 HD2 LYS A 232 5.781 6.916 -6.004 1.00 15.01 H new ATOM 0 HD3 LYS A 232 6.153 8.137 -7.205 1.00 15.01 H new ATOM 0 HE2 LYS A 232 8.007 6.672 -5.346 1.00 52.42 H new ATOM 0 HE3 LYS A 232 8.232 7.093 -7.032 1.00 52.42 H new ATOM 0 HZ1 LYS A 232 9.642 8.527 -5.924 1.00 22.42 H new ATOM 0 HZ2 LYS A 232 8.273 9.500 -6.170 1.00 22.42 H new ATOM 0 HZ3 LYS A 232 8.557 8.803 -4.648 1.00 22.42 H new ATOM 1098 N SER A 233 3.207 7.691 -4.262 1.00 34.13 N ATOM 1099 CA SER A 233 1.851 8.121 -4.562 1.00 41.34 C ATOM 1100 C SER A 233 1.003 8.100 -3.288 1.00 40.42 C ATOM 1101 O SER A 233 0.296 9.062 -2.993 1.00 3.34 O ATOM 1102 CB SER A 233 1.217 7.236 -5.636 1.00 31.21 C ATOM 1103 OG SER A 233 0.166 7.907 -6.328 1.00 61.32 O ATOM 0 H SER A 233 3.558 6.941 -4.858 1.00 34.13 H new ATOM 0 HA SER A 233 1.892 9.140 -4.948 1.00 41.34 H new ATOM 0 HB2 SER A 233 1.981 6.927 -6.349 1.00 31.21 H new ATOM 0 HB3 SER A 233 0.826 6.329 -5.175 1.00 31.21 H new ATOM 0 HG SER A 233 -0.212 7.310 -7.007 1.00 61.32 H new ATOM 1108 N VAL A 234 1.102 6.992 -2.567 1.00 54.41 N ATOM 1109 CA VAL A 234 0.353 6.833 -1.333 1.00 0.33 C ATOM 1110 C VAL A 234 1.261 7.158 -0.144 1.00 15.31 C ATOM 1111 O VAL A 234 0.979 6.761 0.984 1.00 25.24 O ATOM 1112 CB VAL A 234 -0.246 5.427 -1.261 1.00 41.12 C ATOM 1113 CG1 VAL A 234 -1.015 5.093 -2.540 1.00 54.11 C ATOM 1114 CG2 VAL A 234 0.839 4.383 -0.984 1.00 10.43 C ATOM 0 H VAL A 234 1.690 6.196 -2.815 1.00 54.41 H new ATOM 0 HA VAL A 234 -0.484 7.530 -1.303 1.00 0.33 H new ATOM 0 HB VAL A 234 -0.952 5.405 -0.431 1.00 41.12 H new ATOM 0 HG11 VAL A 234 -1.431 4.088 -2.463 1.00 54.11 H new ATOM 0 HG12 VAL A 234 -1.824 5.811 -2.676 1.00 54.11 H new ATOM 0 HG13 VAL A 234 -0.339 5.142 -3.394 1.00 54.11 H new ATOM 0 HG21 VAL A 234 0.387 3.392 -0.938 1.00 10.43 H new ATOM 0 HG22 VAL A 234 1.580 4.407 -1.783 1.00 10.43 H new ATOM 0 HG23 VAL A 234 1.324 4.606 -0.033 1.00 10.43 H new ATOM 1124 N ASN A 235 2.335 7.876 -0.441 1.00 4.12 N ATOM 1125 CA ASN A 235 3.286 8.259 0.590 1.00 32.23 C ATOM 1126 C ASN A 235 3.514 7.075 1.531 1.00 44.21 C ATOM 1127 O ASN A 235 3.752 7.263 2.724 1.00 12.31 O ATOM 1128 CB ASN A 235 2.758 9.429 1.420 1.00 1.42 C ATOM 1129 CG ASN A 235 2.599 10.685 0.559 1.00 65.51 C ATOM 1130 OD1 ASN A 235 2.559 10.633 -0.659 1.00 73.43 O ATOM 1131 ND2 ASN A 235 2.510 11.812 1.258 1.00 42.32 N ATOM 0 H ASN A 235 2.568 8.202 -1.379 1.00 4.12 H new ATOM 0 HA ASN A 235 4.213 8.556 0.100 1.00 32.23 H new ATOM 0 HB2 ASN A 235 1.798 9.162 1.861 1.00 1.42 H new ATOM 0 HB3 ASN A 235 3.442 9.633 2.244 1.00 1.42 H new ATOM 0 HD21 ASN A 235 2.401 12.704 0.776 1.00 42.32 H new ATOM 0 HD22 ASN A 235 2.551 11.785 2.277 1.00 42.32 H new ATOM 1137 N LEU A 236 3.432 5.882 0.962 1.00 72.03 N ATOM 1138 CA LEU A 236 3.627 4.668 1.737 1.00 30.44 C ATOM 1139 C LEU A 236 5.090 4.574 2.171 1.00 60.25 C ATOM 1140 O LEU A 236 5.988 4.522 1.333 1.00 75.02 O ATOM 1141 CB LEU A 236 3.138 3.448 0.952 1.00 64.21 C ATOM 1142 CG LEU A 236 3.754 2.105 1.350 1.00 30.34 C ATOM 1143 CD1 LEU A 236 3.072 1.537 2.596 1.00 20.21 C ATOM 1144 CD2 LEU A 236 3.722 1.120 0.180 1.00 15.01 C ATOM 0 H LEU A 236 3.233 5.729 -0.027 1.00 72.03 H new ATOM 0 HA LEU A 236 3.027 4.696 2.646 1.00 30.44 H new ATOM 0 HB2 LEU A 236 2.056 3.377 1.065 1.00 64.21 H new ATOM 0 HB3 LEU A 236 3.337 3.618 -0.106 1.00 64.21 H new ATOM 0 HG LEU A 236 4.801 2.271 1.603 1.00 30.34 H new ATOM 0 HD11 LEU A 236 3.529 0.582 2.857 1.00 20.21 H new ATOM 0 HD12 LEU A 236 3.190 2.235 3.425 1.00 20.21 H new ATOM 0 HD13 LEU A 236 2.011 1.389 2.394 1.00 20.21 H new ATOM 0 HD21 LEU A 236 4.166 0.174 0.489 1.00 15.01 H new ATOM 0 HD22 LEU A 236 2.690 0.954 -0.127 1.00 15.01 H new ATOM 0 HD23 LEU A 236 4.288 1.530 -0.656 1.00 15.01 H new ATOM 1155 N PRO A 237 5.291 4.554 3.516 1.00 43.31 N ATOM 1156 CA PRO A 237 6.630 4.468 4.072 1.00 63.43 C ATOM 1157 C PRO A 237 7.191 3.050 3.933 1.00 34.01 C ATOM 1158 O PRO A 237 6.473 2.131 3.545 1.00 22.41 O ATOM 1159 CB PRO A 237 6.485 4.910 5.519 1.00 73.54 C ATOM 1160 CG PRO A 237 5.006 4.780 5.847 1.00 44.31 C ATOM 1161 CD PRO A 237 4.251 4.613 4.539 1.00 43.10 C ATOM 0 HA PRO A 237 7.345 5.101 3.546 1.00 63.43 H new ATOM 0 HB2 PRO A 237 7.088 4.288 6.180 1.00 73.54 H new ATOM 0 HB3 PRO A 237 6.826 5.937 5.650 1.00 73.54 H new ATOM 0 HG2 PRO A 237 4.834 3.924 6.499 1.00 44.31 H new ATOM 0 HG3 PRO A 237 4.654 5.663 6.381 1.00 44.31 H new ATOM 0 HD2 PRO A 237 3.648 3.705 4.543 1.00 43.10 H new ATOM 0 HD3 PRO A 237 3.571 5.447 4.365 1.00 43.10 H new ATOM 1166 N THR A 238 8.469 2.920 4.257 1.00 62.30 N ATOM 1167 CA THR A 238 9.134 1.630 4.173 1.00 11.41 C ATOM 1168 C THR A 238 8.637 0.700 5.281 1.00 3.13 C ATOM 1169 O THR A 238 8.000 1.149 6.233 1.00 21.24 O ATOM 1170 CB THR A 238 10.644 1.874 4.217 1.00 73.05 C ATOM 1171 OG1 THR A 238 10.821 3.089 3.493 1.00 1.41 O ATOM 1172 CG2 THR A 238 11.428 0.840 3.406 1.00 63.03 C ATOM 0 H THR A 238 9.062 3.686 4.578 1.00 62.30 H new ATOM 0 HA THR A 238 8.898 1.124 3.237 1.00 11.41 H new ATOM 0 HB THR A 238 10.984 1.857 5.252 1.00 73.05 H new ATOM 0 HG1 THR A 238 11.773 3.323 3.474 1.00 1.41 H new ATOM 0 HG21 THR A 238 12.494 1.059 3.471 1.00 63.03 H new ATOM 0 HG22 THR A 238 11.237 -0.156 3.805 1.00 63.03 H new ATOM 0 HG23 THR A 238 11.112 0.880 2.364 1.00 63.03 H new ATOM 1180 N VAL A 239 8.946 -0.578 5.120 1.00 32.04 N ATOM 1181 CA VAL A 239 8.538 -1.575 6.094 1.00 42.21 C ATOM 1182 C VAL A 239 9.161 -1.240 7.452 1.00 71.42 C ATOM 1183 O VAL A 239 8.560 -1.494 8.494 1.00 22.23 O ATOM 1184 CB VAL A 239 8.905 -2.974 5.596 1.00 43.43 C ATOM 1185 CG1 VAL A 239 10.402 -3.073 5.294 1.00 74.23 C ATOM 1186 CG2 VAL A 239 8.478 -4.044 6.603 1.00 45.31 C ATOM 0 H VAL A 239 9.475 -0.946 4.329 1.00 32.04 H new ATOM 0 HA VAL A 239 7.456 -1.564 6.222 1.00 42.21 H new ATOM 0 HB VAL A 239 8.363 -3.152 4.667 1.00 43.43 H new ATOM 0 HG11 VAL A 239 10.636 -4.078 4.942 1.00 74.23 H new ATOM 0 HG12 VAL A 239 10.667 -2.348 4.525 1.00 74.23 H new ATOM 0 HG13 VAL A 239 10.971 -2.864 6.200 1.00 74.23 H new ATOM 0 HG21 VAL A 239 8.751 -5.029 6.225 1.00 45.31 H new ATOM 0 HG22 VAL A 239 8.980 -3.869 7.555 1.00 45.31 H new ATOM 0 HG23 VAL A 239 7.399 -3.997 6.748 1.00 45.31 H new ATOM 1196 N GLN A 240 10.359 -0.676 7.394 1.00 24.04 N ATOM 1197 CA GLN A 240 11.069 -0.304 8.605 1.00 0.30 C ATOM 1198 C GLN A 240 10.570 1.049 9.119 1.00 64.14 C ATOM 1199 O GLN A 240 10.826 1.413 10.266 1.00 52.11 O ATOM 1200 CB GLN A 240 12.581 -0.276 8.368 1.00 24.33 C ATOM 1201 CG GLN A 240 12.976 -1.236 7.243 1.00 44.51 C ATOM 1202 CD GLN A 240 13.148 -0.487 5.920 1.00 41.21 C ATOM 1203 OE1 GLN A 240 13.441 0.696 5.880 1.00 12.23 O ATOM 1204 NE2 GLN A 240 12.952 -1.242 4.843 1.00 34.44 N ATOM 0 H GLN A 240 10.855 -0.468 6.527 1.00 24.04 H new ATOM 0 HA GLN A 240 10.867 -1.057 9.367 1.00 0.30 H new ATOM 0 HB2 GLN A 240 12.895 0.737 8.114 1.00 24.33 H new ATOM 0 HB3 GLN A 240 13.102 -0.550 9.285 1.00 24.33 H new ATOM 0 HG2 GLN A 240 13.906 -1.743 7.502 1.00 44.51 H new ATOM 0 HG3 GLN A 240 12.213 -2.007 7.133 1.00 44.51 H new ATOM 0 HE21 GLN A 240 12.709 -2.227 4.948 1.00 34.44 H new ATOM 0 HE22 GLN A 240 13.045 -0.836 3.912 1.00 34.44 H new ATOM 1211 N GLU A 241 9.867 1.754 8.247 1.00 13.01 N ATOM 1212 CA GLU A 241 9.329 3.059 8.599 1.00 63.44 C ATOM 1213 C GLU A 241 7.954 2.907 9.251 1.00 4.32 C ATOM 1214 O GLU A 241 7.629 3.625 10.196 1.00 40.22 O ATOM 1215 CB GLU A 241 9.257 3.970 7.373 1.00 15.10 C ATOM 1216 CG GLU A 241 10.608 4.640 7.108 1.00 4.34 C ATOM 1217 CD GLU A 241 11.094 5.399 8.344 1.00 40.03 C ATOM 1218 OE1 GLU A 241 10.314 6.134 8.969 1.00 72.43 O ATOM 1219 OE2 GLU A 241 12.332 5.203 8.652 1.00 74.41 O ATOM 0 H GLU A 241 9.656 1.448 7.297 1.00 13.01 H new ATOM 0 HA GLU A 241 10.001 3.526 9.319 1.00 63.44 H new ATOM 0 HB2 GLU A 241 8.958 3.389 6.501 1.00 15.10 H new ATOM 0 HB3 GLU A 241 8.493 4.732 7.526 1.00 15.10 H new ATOM 0 HG2 GLU A 241 11.343 3.886 6.827 1.00 4.34 H new ATOM 0 HG3 GLU A 241 10.519 5.327 6.266 1.00 4.34 H new ATOM 1225 N TRP A 242 7.182 1.968 8.722 1.00 54.44 N ATOM 1226 CA TRP A 242 5.850 1.715 9.241 1.00 72.40 C ATOM 1227 C TRP A 242 5.989 0.867 10.507 1.00 62.31 C ATOM 1228 O TRP A 242 5.575 1.286 11.587 1.00 44.34 O ATOM 1229 CB TRP A 242 4.963 1.061 8.179 1.00 11.11 C ATOM 1230 CG TRP A 242 3.858 0.173 8.752 1.00 4.13 C ATOM 1231 CD1 TRP A 242 3.066 0.417 9.806 1.00 64.12 C ATOM 1232 CD2 TRP A 242 3.449 -1.120 8.256 1.00 44.35 C ATOM 1233 NE1 TRP A 242 2.182 -0.620 10.026 1.00 34.34 N ATOM 1234 CE2 TRP A 242 2.422 -1.583 9.053 1.00 22.43 C ATOM 1235 CE3 TRP A 242 3.931 -1.872 7.171 1.00 42.51 C ATOM 1236 CZ2 TRP A 242 1.790 -2.816 8.848 1.00 41.00 C ATOM 1237 CZ3 TRP A 242 3.290 -3.102 6.980 1.00 32.03 C ATOM 1238 CH2 TRP A 242 2.254 -3.583 7.773 1.00 45.12 C ATOM 0 H TRP A 242 7.455 1.374 7.939 1.00 54.44 H new ATOM 0 HA TRP A 242 5.353 2.650 9.500 1.00 72.40 H new ATOM 0 HB2 TRP A 242 4.508 1.842 7.569 1.00 11.11 H new ATOM 0 HB3 TRP A 242 5.588 0.463 7.516 1.00 11.11 H new ATOM 0 HD1 TRP A 242 3.114 1.313 10.408 1.00 64.12 H new ATOM 0 HE1 TRP A 242 1.482 -0.670 10.766 1.00 34.34 H new ATOM 0 HE3 TRP A 242 4.733 -1.528 6.535 1.00 42.51 H new ATOM 0 HZ2 TRP A 242 0.987 -3.157 9.485 1.00 41.00 H new ATOM 0 HZ3 TRP A 242 3.623 -3.720 6.160 1.00 32.03 H new ATOM 0 HH2 TRP A 242 1.809 -4.544 7.560 1.00 45.12 H new ATOM 1248 N LYS A 243 6.573 -0.309 10.332 1.00 63.32 N ATOM 1249 CA LYS A 243 6.773 -1.219 11.447 1.00 42.31 C ATOM 1250 C LYS A 243 7.503 -0.486 12.574 1.00 50.30 C ATOM 1251 O LYS A 243 7.450 -0.905 13.729 1.00 2.14 O ATOM 1252 CB LYS A 243 7.482 -2.492 10.981 1.00 14.34 C ATOM 1253 CG LYS A 243 6.645 -3.234 9.936 1.00 50.04 C ATOM 1254 CD LYS A 243 6.927 -4.737 9.976 1.00 32.12 C ATOM 1255 CE LYS A 243 8.415 -5.011 10.204 1.00 34.00 C ATOM 1256 NZ LYS A 243 9.236 -4.232 9.251 1.00 50.11 N ATOM 0 H LYS A 243 6.914 -0.653 9.434 1.00 63.32 H new ATOM 0 HA LYS A 243 5.813 -1.546 11.848 1.00 42.31 H new ATOM 0 HB2 LYS A 243 8.454 -2.238 10.559 1.00 14.34 H new ATOM 0 HB3 LYS A 243 7.665 -3.144 11.835 1.00 14.34 H new ATOM 0 HG2 LYS A 243 5.586 -3.054 10.119 1.00 50.04 H new ATOM 0 HG3 LYS A 243 6.868 -2.845 8.943 1.00 50.04 H new ATOM 0 HD2 LYS A 243 6.343 -5.199 10.772 1.00 32.12 H new ATOM 0 HD3 LYS A 243 6.609 -5.195 9.040 1.00 32.12 H new ATOM 0 HE2 LYS A 243 8.687 -4.749 11.227 1.00 34.00 H new ATOM 0 HE3 LYS A 243 8.618 -6.075 10.083 1.00 34.00 H new ATOM 0 HZ1 LYS A 243 10.069 -3.849 9.742 1.00 50.11 H new ATOM 0 HZ2 LYS A 243 9.546 -4.850 8.474 1.00 50.11 H new ATOM 0 HZ3 LYS A 243 8.671 -3.449 8.866 1.00 50.11 H new ATOM 1265 N SER A 244 8.170 0.596 12.198 1.00 33.11 N ATOM 1266 CA SER A 244 8.910 1.391 13.162 1.00 51.41 C ATOM 1267 C SER A 244 8.136 1.471 14.479 1.00 2.43 C ATOM 1268 O SER A 244 8.569 0.924 15.493 1.00 2.12 O ATOM 1269 CB SER A 244 9.185 2.796 12.622 1.00 51.04 C ATOM 1270 OG SER A 244 10.428 3.314 13.089 1.00 3.20 O ATOM 0 H SER A 244 8.213 0.940 11.239 1.00 33.11 H new ATOM 0 HA SER A 244 9.869 0.905 13.341 1.00 51.41 H new ATOM 0 HB2 SER A 244 9.189 2.771 11.532 1.00 51.04 H new ATOM 0 HB3 SER A 244 8.378 3.464 12.923 1.00 51.04 H new ATOM 0 HG SER A 244 10.567 4.211 12.721 1.00 3.20 H new ATOM 1577 N PHE B 470 10.652 -8.564 8.475 1.00 61.43 N ATOM 1578 CA PHE B 470 10.029 -9.254 7.358 1.00 64.23 C ATOM 1579 C PHE B 470 10.812 -9.021 6.064 1.00 31.14 C ATOM 1580 O PHE B 470 10.274 -9.189 4.970 1.00 42.13 O ATOM 1581 CB PHE B 470 8.622 -8.672 7.202 1.00 53.15 C ATOM 1582 CG PHE B 470 7.681 -8.998 8.363 1.00 54.11 C ATOM 1583 CD1 PHE B 470 7.723 -10.225 8.949 1.00 51.34 C ATOM 1584 CD2 PHE B 470 6.803 -8.062 8.810 1.00 13.31 C ATOM 1585 CE1 PHE B 470 6.850 -10.527 10.027 1.00 70.53 C ATOM 1586 CE2 PHE B 470 5.929 -8.364 9.888 1.00 12.41 C ATOM 1587 CZ PHE B 470 5.972 -9.590 10.473 1.00 61.32 C ATOM 0 HA PHE B 470 10.007 -10.327 7.549 1.00 64.23 H new ATOM 0 HB2 PHE B 470 8.697 -7.589 7.102 1.00 53.15 H new ATOM 0 HB3 PHE B 470 8.185 -9.048 6.277 1.00 53.15 H new ATOM 0 HD1 PHE B 470 8.420 -10.969 8.594 1.00 51.34 H new ATOM 0 HD2 PHE B 470 6.770 -7.088 8.345 1.00 13.31 H new ATOM 0 HE1 PHE B 470 6.883 -11.501 10.493 1.00 70.53 H new ATOM 0 HE2 PHE B 470 5.231 -7.620 10.243 1.00 12.41 H new ATOM 0 HZ PHE B 470 5.308 -9.820 11.293 1.00 61.32 H new ATOM 1596 N ILE B 471 12.068 -8.637 6.231 1.00 41.52 N ATOM 1597 CA ILE B 471 12.930 -8.378 5.090 1.00 72.05 C ATOM 1598 C ILE B 471 13.168 -9.685 4.330 1.00 41.24 C ATOM 1599 O ILE B 471 13.368 -10.734 4.941 1.00 33.10 O ATOM 1600 CB ILE B 471 14.217 -7.684 5.538 1.00 51.14 C ATOM 1601 CG1 ILE B 471 14.034 -6.165 5.586 1.00 35.44 C ATOM 1602 CG2 ILE B 471 15.397 -8.091 4.652 1.00 12.21 C ATOM 1603 CD1 ILE B 471 12.806 -5.788 6.416 1.00 43.25 C ATOM 0 H ILE B 471 12.510 -8.499 7.140 1.00 41.52 H new ATOM 0 HA ILE B 471 12.448 -7.688 4.397 1.00 72.05 H new ATOM 0 HB ILE B 471 14.446 -8.013 6.552 1.00 51.14 H new ATOM 0 HG12 ILE B 471 14.923 -5.701 6.013 1.00 35.44 H new ATOM 0 HG13 ILE B 471 13.927 -5.776 4.574 1.00 35.44 H new ATOM 0 HG21 ILE B 471 16.300 -7.583 4.992 1.00 12.21 H new ATOM 0 HG22 ILE B 471 15.543 -9.170 4.713 1.00 12.21 H new ATOM 0 HG23 ILE B 471 15.190 -7.810 3.619 1.00 12.21 H new ATOM 0 HD11 ILE B 471 12.698 -4.703 6.434 1.00 43.25 H new ATOM 0 HD12 ILE B 471 11.916 -6.234 5.972 1.00 43.25 H new ATOM 0 HD13 ILE B 471 12.927 -6.158 7.434 1.00 43.25 H new ATOM 1614 N PRO B 472 13.138 -9.576 2.975 1.00 52.44 N ATOM 1615 CA PRO B 472 13.348 -10.735 2.126 1.00 74.44 C ATOM 1616 C PRO B 472 14.827 -11.132 2.096 1.00 25.34 C ATOM 1617 O PRO B 472 15.656 -10.501 2.749 1.00 15.02 O ATOM 1618 CB PRO B 472 12.816 -10.326 0.762 1.00 44.01 C ATOM 1619 CG PRO B 472 12.755 -8.807 0.778 1.00 34.22 C ATOM 1620 CD PRO B 472 12.904 -8.348 2.219 1.00 71.24 C ATOM 0 HA PRO B 472 12.831 -11.622 2.491 1.00 74.44 H new ATOM 0 HB2 PRO B 472 13.469 -10.682 -0.035 1.00 44.01 H new ATOM 0 HB3 PRO B 472 11.830 -10.755 0.582 1.00 44.01 H new ATOM 0 HG2 PRO B 472 13.548 -8.387 0.160 1.00 34.22 H new ATOM 0 HG3 PRO B 472 11.809 -8.459 0.363 1.00 34.22 H new ATOM 0 HD2 PRO B 472 13.734 -7.651 2.329 1.00 71.24 H new ATOM 0 HD3 PRO B 472 12.008 -7.834 2.566 1.00 71.24 H new ATOM 1625 N SER B 473 15.110 -12.176 1.331 1.00 64.33 N ATOM 1626 CA SER B 473 16.472 -12.665 1.208 1.00 54.15 C ATOM 1627 C SER B 473 16.973 -12.464 -0.224 1.00 32.24 C ATOM 1628 O SER B 473 17.942 -11.743 -0.452 1.00 52.12 O ATOM 1629 CB SER B 473 16.566 -14.141 1.600 1.00 61.32 C ATOM 1630 OG SER B 473 17.905 -14.627 1.537 1.00 4.33 O ATOM 0 H SER B 473 14.419 -12.697 0.790 1.00 64.33 H new ATOM 0 HA SER B 473 17.102 -12.095 1.891 1.00 54.15 H new ATOM 0 HB2 SER B 473 16.180 -14.273 2.611 1.00 61.32 H new ATOM 0 HB3 SER B 473 15.934 -14.733 0.938 1.00 61.32 H new ATOM 0 HG SER B 473 17.923 -15.572 1.796 1.00 4.33 H new ATOM 1635 N ARG B 474 16.287 -13.115 -1.153 1.00 63.03 N ATOM 1636 CA ARG B 474 16.650 -13.017 -2.557 1.00 64.41 C ATOM 1637 C ARG B 474 16.523 -11.570 -3.038 1.00 62.14 C ATOM 1638 O ARG B 474 15.769 -10.785 -2.465 1.00 61.34 O ATOM 1639 CB ARG B 474 15.760 -13.914 -3.419 1.00 24.25 C ATOM 1640 CG ARG B 474 15.824 -15.368 -2.948 1.00 42.44 C ATOM 1641 CD ARG B 474 17.143 -16.021 -3.367 1.00 30.10 C ATOM 1642 NE ARG B 474 17.227 -16.089 -4.843 1.00 35.21 N ATOM 1643 CZ ARG B 474 18.343 -16.430 -5.523 1.00 30.52 C ATOM 1644 NH1 ARG B 474 19.481 -16.737 -4.863 1.00 10.12 N ATOM 1645 NH2 ARG B 474 18.305 -16.459 -6.842 1.00 11.41 N ATOM 0 H ARG B 474 15.482 -13.712 -0.961 1.00 63.03 H new ATOM 0 HA ARG B 474 17.684 -13.347 -2.657 1.00 64.41 H new ATOM 0 HB2 ARG B 474 14.730 -13.559 -3.376 1.00 24.25 H new ATOM 0 HB3 ARG B 474 16.075 -13.852 -4.461 1.00 24.25 H new ATOM 0 HG2 ARG B 474 15.722 -15.408 -1.863 1.00 42.44 H new ATOM 0 HG3 ARG B 474 14.988 -15.927 -3.367 1.00 42.44 H new ATOM 0 HD2 ARG B 474 17.983 -15.449 -2.973 1.00 30.10 H new ATOM 0 HD3 ARG B 474 17.213 -17.023 -2.944 1.00 30.10 H new ATOM 0 HE ARG B 474 16.390 -15.864 -5.380 1.00 35.21 H new ATOM 0 HH11 ARG B 474 19.502 -16.712 -3.844 1.00 10.12 H new ATOM 0 HH12 ARG B 474 20.319 -16.994 -5.384 1.00 10.12 H new ATOM 0 HH21 ARG B 474 17.442 -16.226 -7.333 1.00 11.41 H new ATOM 0 HH22 ARG B 474 19.139 -16.714 -7.371 1.00 11.41 H new ATOM 1655 N PRO B 475 17.291 -11.253 -4.114 1.00 74.13 N ATOM 1656 CA PRO B 475 17.272 -9.915 -4.678 1.00 55.42 C ATOM 1657 C PRO B 475 15.991 -9.676 -5.480 1.00 15.10 C ATOM 1658 O PRO B 475 15.448 -8.571 -5.475 1.00 63.34 O ATOM 1659 CB PRO B 475 18.530 -9.829 -5.528 1.00 12.42 C ATOM 1660 CG PRO B 475 18.961 -11.264 -5.781 1.00 73.22 C ATOM 1661 CD PRO B 475 18.196 -12.157 -4.818 1.00 33.44 C ATOM 0 HA PRO B 475 17.269 -9.137 -3.915 1.00 55.42 H new ATOM 0 HB2 PRO B 475 18.333 -9.309 -6.466 1.00 12.42 H new ATOM 0 HB3 PRO B 475 19.312 -9.271 -5.013 1.00 12.42 H new ATOM 0 HG2 PRO B 475 18.753 -11.549 -6.812 1.00 73.22 H new ATOM 0 HG3 PRO B 475 20.035 -11.372 -5.631 1.00 73.22 H new ATOM 0 HD2 PRO B 475 17.646 -12.933 -5.350 1.00 33.44 H new ATOM 0 HD3 PRO B 475 18.870 -12.661 -4.125 1.00 33.44 H new ATOM 1666 N ALA B 476 15.546 -10.728 -6.150 1.00 72.32 N ATOM 1667 CA ALA B 476 14.339 -10.646 -6.955 1.00 63.20 C ATOM 1668 C ALA B 476 14.272 -11.855 -7.890 1.00 23.42 C ATOM 1669 O ALA B 476 15.219 -12.130 -8.624 1.00 11.04 O ATOM 1670 CB ALA B 476 14.321 -9.319 -7.716 1.00 65.35 C ATOM 0 H ALA B 476 15.999 -11.642 -6.152 1.00 72.32 H new ATOM 0 HA ALA B 476 13.453 -10.670 -6.321 1.00 63.20 H new ATOM 0 HB1 ALA B 476 13.415 -9.258 -8.320 1.00 65.35 H new ATOM 0 HB2 ALA B 476 14.340 -8.492 -7.006 1.00 65.35 H new ATOM 0 HB3 ALA B 476 15.195 -9.260 -8.365 1.00 65.35 H new ATOM 1676 N PRO B 477 13.113 -12.565 -7.829 1.00 32.11 N ATOM 1677 CA PRO B 477 12.909 -13.738 -8.662 1.00 62.52 C ATOM 1678 C PRO B 477 12.631 -13.340 -10.113 1.00 14.22 C ATOM 1679 O PRO B 477 12.918 -12.215 -10.517 1.00 1.54 O ATOM 1680 CB PRO B 477 11.751 -14.482 -8.017 1.00 10.01 C ATOM 1681 CG PRO B 477 11.050 -13.469 -7.127 1.00 32.25 C ATOM 1682 CD PRO B 477 11.970 -12.269 -6.971 1.00 30.05 C ATOM 0 HA PRO B 477 13.793 -14.374 -8.716 1.00 62.52 H new ATOM 0 HB2 PRO B 477 11.071 -14.876 -8.772 1.00 10.01 H new ATOM 0 HB3 PRO B 477 12.108 -15.332 -7.435 1.00 10.01 H new ATOM 0 HG2 PRO B 477 10.100 -13.167 -7.568 1.00 32.25 H new ATOM 0 HG3 PRO B 477 10.825 -13.907 -6.154 1.00 32.25 H new ATOM 0 HD2 PRO B 477 11.474 -11.347 -7.276 1.00 30.05 H new ATOM 0 HD3 PRO B 477 12.277 -12.138 -5.933 1.00 30.05 H new ATOM 1687 N LYS B 478 12.076 -14.286 -10.857 1.00 11.41 N ATOM 1688 CA LYS B 478 11.756 -14.047 -12.254 1.00 63.40 C ATOM 1689 C LYS B 478 10.474 -14.800 -12.614 1.00 4.21 C ATOM 1690 O LYS B 478 10.457 -16.030 -12.639 1.00 73.14 O ATOM 1691 CB LYS B 478 12.948 -14.403 -13.145 1.00 21.21 C ATOM 1692 CG LYS B 478 12.766 -15.783 -13.779 1.00 32.41 C ATOM 1693 CD LYS B 478 12.860 -16.888 -12.725 1.00 31.44 C ATOM 1694 CE LYS B 478 14.271 -17.477 -12.672 1.00 50.03 C ATOM 1695 NZ LYS B 478 15.081 -16.789 -11.642 1.00 74.53 N ATOM 0 H LYS B 478 11.840 -15.219 -10.519 1.00 11.41 H new ATOM 0 HA LYS B 478 11.564 -12.988 -12.425 1.00 63.40 H new ATOM 0 HB2 LYS B 478 13.059 -13.652 -13.927 1.00 21.21 H new ATOM 0 HB3 LYS B 478 13.865 -14.388 -12.555 1.00 21.21 H new ATOM 0 HG2 LYS B 478 11.798 -15.833 -14.278 1.00 32.41 H new ATOM 0 HG3 LYS B 478 13.527 -15.939 -14.543 1.00 32.41 H new ATOM 0 HD2 LYS B 478 12.593 -16.487 -11.747 1.00 31.44 H new ATOM 0 HD3 LYS B 478 12.142 -17.675 -12.954 1.00 31.44 H new ATOM 0 HE2 LYS B 478 14.219 -18.543 -12.450 1.00 50.03 H new ATOM 0 HE3 LYS B 478 14.750 -17.378 -13.646 1.00 50.03 H new ATOM 0 HZ1 LYS B 478 15.976 -16.467 -12.062 1.00 74.53 H new ATOM 0 HZ2 LYS B 478 14.555 -15.969 -11.277 1.00 74.53 H new ATOM 0 HZ3 LYS B 478 15.282 -17.447 -10.862 1.00 74.53 H new ATOM 1704 N PRO B 479 9.402 -14.010 -12.890 1.00 2.33 N ATOM 1705 CA PRO B 479 8.118 -14.588 -13.247 1.00 12.23 C ATOM 1706 C PRO B 479 8.137 -15.123 -14.681 1.00 13.54 C ATOM 1707 O PRO B 479 8.908 -14.648 -15.513 1.00 75.32 O ATOM 1708 CB PRO B 479 7.111 -13.467 -13.045 1.00 63.30 C ATOM 1709 CG PRO B 479 7.919 -12.179 -13.030 1.00 20.45 C ATOM 1710 CD PRO B 479 9.384 -12.550 -12.870 1.00 3.12 C ATOM 0 HA PRO B 479 7.861 -15.451 -12.634 1.00 12.23 H new ATOM 0 HB2 PRO B 479 6.373 -13.456 -13.847 1.00 63.30 H new ATOM 0 HB3 PRO B 479 6.565 -13.596 -12.111 1.00 63.30 H new ATOM 0 HG2 PRO B 479 7.765 -11.621 -13.954 1.00 20.45 H new ATOM 0 HG3 PRO B 479 7.597 -11.536 -12.211 1.00 20.45 H new ATOM 0 HD2 PRO B 479 9.988 -12.136 -13.677 1.00 3.12 H new ATOM 0 HD3 PRO B 479 9.791 -12.162 -11.936 1.00 3.12 H new ATOM 1715 N PRO B 480 7.256 -16.127 -14.932 1.00 31.21 N ATOM 1716 CA PRO B 480 7.164 -16.730 -16.250 1.00 74.50 C ATOM 1717 C PRO B 480 6.438 -15.805 -17.229 1.00 42.34 C ATOM 1718 O PRO B 480 5.761 -14.866 -16.813 1.00 23.33 O ATOM 1719 CB PRO B 480 6.438 -18.048 -16.030 1.00 22.51 C ATOM 1720 CG PRO B 480 5.742 -17.921 -14.685 1.00 10.12 C ATOM 1721 CD PRO B 480 6.326 -16.714 -13.970 1.00 52.52 C ATOM 0 HA PRO B 480 8.141 -16.898 -16.703 1.00 74.50 H new ATOM 0 HB2 PRO B 480 5.718 -18.235 -16.826 1.00 22.51 H new ATOM 0 HB3 PRO B 480 7.137 -18.884 -16.030 1.00 22.51 H new ATOM 0 HG2 PRO B 480 4.667 -17.801 -14.821 1.00 10.12 H new ATOM 0 HG3 PRO B 480 5.889 -18.824 -14.092 1.00 10.12 H new ATOM 0 HD2 PRO B 480 5.547 -16.005 -13.689 1.00 52.52 H new ATOM 0 HD3 PRO B 480 6.837 -17.006 -13.053 1.00 52.52 H new