USER MOD reduce.3.24.130724 H: found=0, std=0, add=904, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 906 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 130 GLN : amide:sc= 1.02 K(o=1.8,f=-0.48) USER MOD Set 1.2: A 135 TYR OH : rot 47:sc= 0.812 USER MOD Set 2.1: A 97 SER OG : rot -155:sc= 1.17 USER MOD Set 2.2: A 98 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 65 LYS NZ :NH3+ 134:sc= 0.0401 (180deg=1.07) USER MOD Set 3.2: A 74 ASN : amide:sc= -1.41! C(o=-0.24!,f=-3.1!) USER MOD Set 3.3: A 77 GLN : amide:sc= 1.13 K(o=-0.24,f=-3.4) USER MOD Set 4.1: A 60 TYR OH : rot 142:sc= 0.416 USER MOD Set 4.2: A 68 ASN : amide:sc= 0.211 X(o=0.63,f=0.24) USER MOD Set 5.1: A 41 MET CE :methyl -170:sc= -0.191 (180deg=-0.555) USER MOD Set 5.2: A 75 TYR OH : rot 180:sc= 0 USER MOD Set 5.3: A 79 MET CE :methyl 177:sc= -0.0439 (180deg=0) USER MOD Set 6.1: A 31 LYS NZ :NH3+ -151:sc= 1.13 (180deg=0.312!) USER MOD Set 6.2: A 56 TYR OH : rot 70:sc= -1.79 USER MOD Set 7.1: A 15 LYS NZ :NH3+ -142:sc= -0.41! (180deg=-0.924!) USER MOD Set 7.2: A 25 HIS : no HE2:sc= 0.831 K(o=0.42,f=-5.2!) USER MOD Single : A 7 THR OG1 : rot -152:sc= 1.24 USER MOD Single : A 10 GLN : amide:sc= -2.06! X(o=-2.1!,f=-1.7) USER MOD Single : A 11 MET CE :methyl -147:sc= 0 (180deg=-0.243) USER MOD Single : A 12 GLN : amide:sc= 0.267 X(o=0.27,f=0) USER MOD Single : A 16 GLN : amide:sc= 1.09 K(o=1.1,f=-0.54) USER MOD Single : A 17 SER OG : rot 76:sc= 0.248 USER MOD Single : A 24 ASN :FLIP amide:sc= -0.144 F(o=-0.83!,f=-0.14) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 CYS SG : rot 59:sc= -0.397 USER MOD Single : A 39 SER OG : rot -92:sc= 1.19 USER MOD Single : A 40 SER OG : rot -85:sc= 1.21 USER MOD Single : A 49 THR OG1 : rot 31:sc= 1.25 USER MOD Single : A 55 GLN : amide:sc= -0.84 K(o=-0.84,f=-3.9!) USER MOD Single : A 61 ASN : amide:sc= -0.0163 X(o=-0.016,f=0) USER MOD Single : A 62 ASN : amide:sc= -0.0557 X(o=-0.056,f=0) USER MOD Single : A 64 THR OG1 : rot -160:sc= 1.37 USER MOD Single : A 71 SER OG : rot -116:sc= 0.875 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 138:sc= -0.813 (180deg=-1.5!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= -2.55! C(o=-2.5!,f=-3!) USER MOD Single : A 93 ASN : amide:sc= 0.409 K(o=0.41,f=-1.4!) USER MOD Single : A 103 LYS NZ :NH3+ 177:sc= 2.19 (180deg=2.09) USER MOD Single : A 105 SER OG : rot 180:sc= -0.0526 USER MOD Single : A 107 THR OG1 : rot 180:sc= -0.536 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 MET CE :methyl 137:sc= -1.13 (180deg=-4.39!) USER MOD Single : A 112 GLN :FLIP amide:sc= 0 F(o=-0.98,f=0) USER MOD Single : A 113 LYS NZ :NH3+ -149:sc= -2.91! (180deg=-6.18!) USER MOD Single : A 116 MET CE :methyl -111:sc= -0.0258 (180deg=-1.31) USER MOD Single : A 117 SER OG : rot -139:sc= 0.559 USER MOD Single : A 120 GLN :FLIP amide:sc= 0 F(o=-1.6,f=0) USER MOD Single : A 123 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ 138:sc= 2.42 (180deg=1.31) USER MOD Single : A 127 ASN :FLIP amide:sc= 0 F(o=-1.3!,f=0) USER MOD Single : A 137 TYR OH : rot -131:sc= 1.26 USER MOD ----------------------------------------------------------------- ATOM 40 N GLY A 5 -11.517 15.601 3.670 1.00 20.14 N ATOM 41 CA GLY A 5 -11.544 14.165 3.918 1.00 64.12 C ATOM 42 C GLY A 5 -11.114 13.340 2.726 1.00 34.20 C ATOM 43 O GLY A 5 -10.321 12.412 2.858 1.00 23.00 O ATOM 0 HA2 GLY A 5 -10.892 13.937 4.762 1.00 64.12 H new ATOM 0 HA3 GLY A 5 -12.554 13.873 4.207 1.00 64.12 H new ATOM 47 N VAL A 6 -11.714 13.585 1.611 1.00 23.45 N ATOM 48 CA VAL A 6 -11.342 12.931 0.387 1.00 53.31 C ATOM 49 C VAL A 6 -10.738 13.981 -0.491 1.00 71.24 C ATOM 50 O VAL A 6 -11.006 15.153 -0.300 1.00 3.32 O ATOM 51 CB VAL A 6 -12.555 12.318 -0.337 1.00 41.32 C ATOM 52 CG1 VAL A 6 -12.122 11.322 -1.418 1.00 32.13 C ATOM 53 CG2 VAL A 6 -13.554 11.723 0.648 1.00 20.14 C ATOM 0 H VAL A 6 -12.483 14.248 1.515 1.00 23.45 H new ATOM 0 HA VAL A 6 -10.652 12.116 0.607 1.00 53.31 H new ATOM 0 HB VAL A 6 -13.076 13.125 -0.853 1.00 41.32 H new ATOM 0 HG11 VAL A 6 -13.004 10.910 -1.907 1.00 32.13 H new ATOM 0 HG12 VAL A 6 -11.503 11.832 -2.156 1.00 32.13 H new ATOM 0 HG13 VAL A 6 -11.550 10.514 -0.961 1.00 32.13 H new ATOM 0 HG21 VAL A 6 -14.396 11.300 0.101 1.00 20.14 H new ATOM 0 HG22 VAL A 6 -13.069 10.939 1.230 1.00 20.14 H new ATOM 0 HG23 VAL A 6 -13.912 12.504 1.319 1.00 20.14 H new ATOM 63 N THR A 7 -9.941 13.588 -1.409 1.00 43.21 N ATOM 64 CA THR A 7 -9.353 14.508 -2.302 1.00 44.40 C ATOM 65 C THR A 7 -9.936 14.314 -3.726 1.00 14.22 C ATOM 66 O THR A 7 -10.471 13.215 -4.068 1.00 12.40 O ATOM 67 CB THR A 7 -7.818 14.363 -2.269 1.00 22.21 C ATOM 68 OG1 THR A 7 -7.201 15.347 -3.102 1.00 15.53 O ATOM 69 CG2 THR A 7 -7.415 12.964 -2.697 1.00 75.52 C ATOM 0 H THR A 7 -9.677 12.615 -1.563 1.00 43.21 H new ATOM 0 HA THR A 7 -9.590 15.526 -1.994 1.00 44.40 H new ATOM 0 HB THR A 7 -7.474 14.524 -1.247 1.00 22.21 H new ATOM 0 HG1 THR A 7 -6.346 15.004 -3.435 1.00 15.53 H new ATOM 0 HG21 THR A 7 -6.329 12.874 -2.670 1.00 75.52 H new ATOM 0 HG22 THR A 7 -7.857 12.234 -2.018 1.00 75.52 H new ATOM 0 HG23 THR A 7 -7.769 12.777 -3.711 1.00 75.52 H new ATOM 77 N ALA A 8 -9.834 15.359 -4.538 1.00 3.54 N ATOM 78 CA ALA A 8 -10.339 15.373 -5.909 1.00 32.33 C ATOM 79 C ALA A 8 -9.725 14.249 -6.732 1.00 1.53 C ATOM 80 O ALA A 8 -10.417 13.589 -7.493 1.00 41.40 O ATOM 81 CB ALA A 8 -10.066 16.721 -6.558 1.00 50.15 C ATOM 0 H ALA A 8 -9.392 16.235 -4.260 1.00 3.54 H new ATOM 0 HA ALA A 8 -11.417 15.212 -5.875 1.00 32.33 H new ATOM 0 HB1 ALA A 8 -10.448 16.717 -7.579 1.00 50.15 H new ATOM 0 HB2 ALA A 8 -10.562 17.506 -5.988 1.00 50.15 H new ATOM 0 HB3 ALA A 8 -8.992 16.907 -6.573 1.00 50.15 H new ATOM 87 N GLU A 9 -8.427 14.034 -6.549 1.00 23.04 N ATOM 88 CA GLU A 9 -7.704 12.953 -7.218 1.00 62.13 C ATOM 89 C GLU A 9 -8.354 11.607 -6.902 1.00 15.14 C ATOM 90 O GLU A 9 -8.530 10.755 -7.782 1.00 40.23 O ATOM 91 CB GLU A 9 -6.215 12.883 -6.792 1.00 1.30 C ATOM 92 CG GLU A 9 -5.406 14.176 -6.929 1.00 22.53 C ATOM 93 CD GLU A 9 -5.735 15.182 -5.858 1.00 72.12 C ATOM 94 OE1 GLU A 9 -5.216 15.077 -4.743 1.00 64.04 O ATOM 95 OE2 GLU A 9 -6.554 16.087 -6.083 1.00 41.14 O ATOM 0 H GLU A 9 -7.845 14.602 -5.934 1.00 23.04 H new ATOM 0 HA GLU A 9 -7.750 13.166 -8.286 1.00 62.13 H new ATOM 0 HB2 GLU A 9 -6.172 12.562 -5.751 1.00 1.30 H new ATOM 0 HB3 GLU A 9 -5.726 12.110 -7.385 1.00 1.30 H new ATOM 0 HG2 GLU A 9 -4.343 13.941 -6.887 1.00 22.53 H new ATOM 0 HG3 GLU A 9 -5.596 14.617 -7.907 1.00 22.53 H new ATOM 102 N GLN A 10 -8.779 11.429 -5.648 1.00 40.53 N ATOM 103 CA GLN A 10 -9.355 10.167 -5.268 1.00 43.12 C ATOM 104 C GLN A 10 -10.629 10.006 -5.960 1.00 64.42 C ATOM 105 O GLN A 10 -10.899 8.954 -6.482 1.00 22.21 O ATOM 106 CB GLN A 10 -9.625 10.001 -3.805 1.00 54.13 C ATOM 107 CG GLN A 10 -9.764 8.550 -3.494 1.00 54.24 C ATOM 108 CD GLN A 10 -9.867 8.231 -2.020 1.00 60.25 C ATOM 109 OE1 GLN A 10 -9.374 8.960 -1.172 1.00 32.54 O ATOM 110 NE2 GLN A 10 -10.478 7.122 -1.707 1.00 54.12 N ATOM 0 H GLN A 10 -8.732 12.130 -4.908 1.00 40.53 H new ATOM 0 HA GLN A 10 -8.610 9.419 -5.540 1.00 43.12 H new ATOM 0 HB2 GLN A 10 -8.812 10.434 -3.222 1.00 54.13 H new ATOM 0 HB3 GLN A 10 -10.535 10.533 -3.528 1.00 54.13 H new ATOM 0 HG2 GLN A 10 -10.651 8.167 -3.998 1.00 54.24 H new ATOM 0 HG3 GLN A 10 -8.907 8.019 -3.909 1.00 54.24 H new ATOM 0 HE21 GLN A 10 -10.879 6.536 -2.440 1.00 54.12 H new ATOM 0 HE22 GLN A 10 -10.555 6.841 -0.730 1.00 54.12 H new ATOM 119 N MET A 11 -11.395 11.078 -6.006 1.00 31.01 N ATOM 120 CA MET A 11 -12.682 11.070 -6.695 1.00 34.44 C ATOM 121 C MET A 11 -12.522 10.646 -8.169 1.00 52.02 C ATOM 122 O MET A 11 -13.474 10.212 -8.803 1.00 15.55 O ATOM 123 CB MET A 11 -13.387 12.428 -6.593 1.00 44.12 C ATOM 124 CG MET A 11 -13.836 12.823 -5.194 1.00 42.20 C ATOM 125 SD MET A 11 -15.053 11.686 -4.504 1.00 13.32 S ATOM 126 CE MET A 11 -15.449 12.500 -2.961 1.00 5.45 C ATOM 0 H MET A 11 -11.153 11.970 -5.575 1.00 31.01 H new ATOM 0 HA MET A 11 -13.311 10.333 -6.196 1.00 34.44 H new ATOM 0 HB2 MET A 11 -12.714 13.198 -6.972 1.00 44.12 H new ATOM 0 HB3 MET A 11 -14.259 12.416 -7.247 1.00 44.12 H new ATOM 0 HG2 MET A 11 -12.968 12.862 -4.536 1.00 42.20 H new ATOM 0 HG3 MET A 11 -14.259 13.827 -5.223 1.00 42.20 H new ATOM 0 HE1 MET A 11 -15.675 11.751 -2.202 1.00 5.45 H new ATOM 0 HE2 MET A 11 -14.598 13.099 -2.637 1.00 5.45 H new ATOM 0 HE3 MET A 11 -16.315 13.146 -3.102 1.00 5.45 H new ATOM 136 N GLN A 12 -11.302 10.757 -8.686 1.00 52.23 N ATOM 137 CA GLN A 12 -10.992 10.322 -10.012 1.00 61.23 C ATOM 138 C GLN A 12 -10.595 8.836 -10.007 1.00 33.34 C ATOM 139 O GLN A 12 -11.160 8.044 -10.766 1.00 43.22 O ATOM 140 CB GLN A 12 -9.875 11.213 -10.609 1.00 11.51 C ATOM 141 CG GLN A 12 -9.314 10.793 -11.976 1.00 22.43 C ATOM 142 CD GLN A 12 -10.365 10.646 -13.061 1.00 50.15 C ATOM 143 OE1 GLN A 12 -10.712 11.603 -13.747 1.00 62.54 O ATOM 144 NE2 GLN A 12 -10.832 9.444 -13.263 1.00 3.42 N ATOM 0 H GLN A 12 -10.509 11.155 -8.182 1.00 52.23 H new ATOM 0 HA GLN A 12 -11.875 10.422 -10.643 1.00 61.23 H new ATOM 0 HB2 GLN A 12 -10.261 12.229 -10.697 1.00 11.51 H new ATOM 0 HB3 GLN A 12 -9.049 11.246 -9.898 1.00 11.51 H new ATOM 0 HG2 GLN A 12 -8.578 11.530 -12.296 1.00 22.43 H new ATOM 0 HG3 GLN A 12 -8.788 9.845 -11.865 1.00 22.43 H new ATOM 0 HE21 GLN A 12 -10.522 8.671 -12.674 1.00 3.42 H new ATOM 0 HE22 GLN A 12 -11.507 9.278 -14.010 1.00 3.42 H new ATOM 153 N GLU A 13 -9.722 8.415 -9.082 1.00 44.13 N ATOM 154 CA GLU A 13 -9.194 7.059 -9.206 1.00 4.23 C ATOM 155 C GLU A 13 -10.009 6.034 -8.496 1.00 31.41 C ATOM 156 O GLU A 13 -10.235 4.949 -9.001 1.00 3.54 O ATOM 157 CB GLU A 13 -7.728 6.976 -8.847 1.00 5.24 C ATOM 158 CG GLU A 13 -6.859 7.617 -9.900 1.00 2.04 C ATOM 159 CD GLU A 13 -7.142 7.018 -11.275 1.00 53.41 C ATOM 160 OE1 GLU A 13 -6.684 5.885 -11.548 1.00 53.44 O ATOM 161 OE2 GLU A 13 -7.861 7.660 -12.065 1.00 12.30 O ATOM 0 H GLU A 13 -9.385 8.958 -8.287 1.00 44.13 H new ATOM 0 HA GLU A 13 -9.275 6.813 -10.265 1.00 4.23 H new ATOM 0 HB2 GLU A 13 -7.560 7.466 -7.888 1.00 5.24 H new ATOM 0 HB3 GLU A 13 -7.442 5.931 -8.725 1.00 5.24 H new ATOM 0 HG2 GLU A 13 -7.040 8.692 -9.922 1.00 2.04 H new ATOM 0 HG3 GLU A 13 -5.808 7.476 -9.646 1.00 2.04 H new ATOM 168 N PHE A 14 -10.545 6.415 -7.387 1.00 32.54 N ATOM 169 CA PHE A 14 -11.345 5.542 -6.577 1.00 3.14 C ATOM 170 C PHE A 14 -12.623 5.241 -7.330 1.00 63.21 C ATOM 171 O PHE A 14 -13.177 4.127 -7.255 1.00 70.35 O ATOM 172 CB PHE A 14 -11.551 6.227 -5.233 1.00 73.32 C ATOM 173 CG PHE A 14 -12.902 6.637 -4.918 1.00 71.52 C ATOM 174 CD1 PHE A 14 -13.728 5.763 -4.351 1.00 32.02 C ATOM 175 CD2 PHE A 14 -13.336 7.889 -5.197 1.00 41.43 C ATOM 176 CE1 PHE A 14 -14.976 6.087 -4.052 1.00 42.50 C ATOM 177 CE2 PHE A 14 -14.594 8.261 -4.910 1.00 13.32 C ATOM 178 CZ PHE A 14 -15.441 7.360 -4.330 1.00 53.44 C ATOM 0 H PHE A 14 -10.442 7.356 -7.006 1.00 32.54 H new ATOM 0 HA PHE A 14 -10.873 4.580 -6.376 1.00 3.14 H new ATOM 0 HB2 PHE A 14 -11.208 5.551 -4.450 1.00 73.32 H new ATOM 0 HB3 PHE A 14 -10.910 7.108 -5.197 1.00 73.32 H new ATOM 0 HD1 PHE A 14 -13.373 4.767 -4.130 1.00 32.02 H new ATOM 0 HD2 PHE A 14 -12.662 8.597 -5.656 1.00 41.43 H new ATOM 0 HE1 PHE A 14 -15.629 5.360 -3.592 1.00 42.50 H new ATOM 0 HE2 PHE A 14 -14.932 9.262 -5.135 1.00 13.32 H new ATOM 0 HZ PHE A 14 -16.457 7.637 -4.092 1.00 53.44 H new ATOM 188 N LYS A 15 -13.034 6.219 -8.124 1.00 12.04 N ATOM 189 CA LYS A 15 -14.133 6.053 -8.998 1.00 64.01 C ATOM 190 C LYS A 15 -13.786 5.029 -10.053 1.00 23.30 C ATOM 191 O LYS A 15 -14.555 4.163 -10.312 1.00 40.25 O ATOM 192 CB LYS A 15 -14.572 7.385 -9.619 1.00 63.24 C ATOM 193 CG LYS A 15 -15.579 7.206 -10.742 1.00 33.42 C ATOM 194 CD LYS A 15 -16.265 8.483 -11.170 1.00 10.42 C ATOM 195 CE LYS A 15 -17.156 8.222 -12.390 1.00 31.31 C ATOM 196 NZ LYS A 15 -18.134 7.115 -12.172 1.00 21.14 N ATOM 0 H LYS A 15 -12.600 7.141 -8.163 1.00 12.04 H new ATOM 0 HA LYS A 15 -14.985 5.689 -8.424 1.00 64.01 H new ATOM 0 HB2 LYS A 15 -15.007 8.016 -8.844 1.00 63.24 H new ATOM 0 HB3 LYS A 15 -13.696 7.908 -10.002 1.00 63.24 H new ATOM 0 HG2 LYS A 15 -15.071 6.773 -11.604 1.00 33.42 H new ATOM 0 HG3 LYS A 15 -16.336 6.489 -10.425 1.00 33.42 H new ATOM 0 HD2 LYS A 15 -16.866 8.875 -10.349 1.00 10.42 H new ATOM 0 HD3 LYS A 15 -15.520 9.242 -11.410 1.00 10.42 H new ATOM 0 HE2 LYS A 15 -17.698 9.134 -12.639 1.00 31.31 H new ATOM 0 HE3 LYS A 15 -16.527 7.981 -13.247 1.00 31.31 H new ATOM 0 HZ1 LYS A 15 -18.231 6.560 -13.046 1.00 21.14 H new ATOM 0 HZ2 LYS A 15 -17.795 6.498 -11.407 1.00 21.14 H new ATOM 0 HZ3 LYS A 15 -19.058 7.515 -11.911 1.00 21.14 H new ATOM 210 N GLN A 16 -12.560 5.076 -10.547 1.00 31.03 N ATOM 211 CA GLN A 16 -12.095 4.174 -11.585 1.00 52.30 C ATOM 212 C GLN A 16 -12.116 2.738 -11.052 1.00 52.24 C ATOM 213 O GLN A 16 -12.623 1.799 -11.718 1.00 53.31 O ATOM 214 CB GLN A 16 -10.694 4.683 -12.059 1.00 31.33 C ATOM 215 CG GLN A 16 -9.801 3.752 -12.881 1.00 30.23 C ATOM 216 CD GLN A 16 -8.917 2.859 -12.013 1.00 35.24 C ATOM 217 OE1 GLN A 16 -9.280 1.735 -11.672 1.00 22.04 O ATOM 218 NE2 GLN A 16 -7.782 3.376 -11.598 1.00 32.34 N ATOM 0 H GLN A 16 -11.856 5.745 -10.237 1.00 31.03 H new ATOM 0 HA GLN A 16 -12.743 4.163 -12.462 1.00 52.30 H new ATOM 0 HB2 GLN A 16 -10.855 5.587 -12.647 1.00 31.33 H new ATOM 0 HB3 GLN A 16 -10.134 4.976 -11.171 1.00 31.33 H new ATOM 0 HG2 GLN A 16 -10.426 3.127 -13.519 1.00 30.23 H new ATOM 0 HG3 GLN A 16 -9.170 4.349 -13.540 1.00 30.23 H new ATOM 0 HE21 GLN A 16 -7.508 4.311 -11.898 1.00 32.34 H new ATOM 0 HE22 GLN A 16 -7.176 2.842 -10.976 1.00 32.34 H new ATOM 227 N SER A 17 -11.671 2.605 -9.812 1.00 44.52 N ATOM 228 CA SER A 17 -11.634 1.347 -9.129 1.00 2.34 C ATOM 229 C SER A 17 -13.042 0.758 -8.930 1.00 73.35 C ATOM 230 O SER A 17 -13.227 -0.449 -9.086 1.00 15.11 O ATOM 231 CB SER A 17 -10.915 1.511 -7.805 1.00 25.22 C ATOM 232 OG SER A 17 -9.642 2.105 -8.012 1.00 35.03 O ATOM 0 H SER A 17 -11.324 3.386 -9.255 1.00 44.52 H new ATOM 0 HA SER A 17 -11.086 0.637 -9.748 1.00 2.34 H new ATOM 0 HB2 SER A 17 -11.509 2.131 -7.134 1.00 25.22 H new ATOM 0 HB3 SER A 17 -10.798 0.540 -7.323 1.00 25.22 H new ATOM 0 HG SER A 17 -9.752 3.065 -8.178 1.00 35.03 H new ATOM 238 N PHE A 18 -14.044 1.581 -8.576 1.00 53.54 N ATOM 239 CA PHE A 18 -15.379 1.009 -8.479 1.00 21.22 C ATOM 240 C PHE A 18 -16.049 0.864 -9.837 1.00 11.43 C ATOM 241 O PHE A 18 -16.651 -0.148 -10.095 1.00 45.14 O ATOM 242 CB PHE A 18 -16.315 1.655 -7.425 1.00 72.13 C ATOM 243 CG PHE A 18 -16.660 3.099 -7.565 1.00 54.14 C ATOM 244 CD1 PHE A 18 -17.431 3.557 -8.610 1.00 1.24 C ATOM 245 CD2 PHE A 18 -16.251 3.992 -6.617 1.00 12.12 C ATOM 246 CE1 PHE A 18 -17.763 4.878 -8.703 1.00 73.45 C ATOM 247 CE2 PHE A 18 -16.585 5.311 -6.711 1.00 5.44 C ATOM 248 CZ PHE A 18 -17.333 5.758 -7.748 1.00 20.24 C ATOM 0 H PHE A 18 -13.960 2.576 -8.367 1.00 53.54 H new ATOM 0 HA PHE A 18 -15.201 0.008 -8.087 1.00 21.22 H new ATOM 0 HB2 PHE A 18 -17.248 1.091 -7.421 1.00 72.13 H new ATOM 0 HB3 PHE A 18 -15.855 1.518 -6.446 1.00 72.13 H new ATOM 0 HD1 PHE A 18 -17.776 2.864 -9.363 1.00 1.24 H new ATOM 0 HD2 PHE A 18 -15.656 3.650 -5.783 1.00 12.12 H new ATOM 0 HE1 PHE A 18 -18.364 5.228 -9.529 1.00 73.45 H new ATOM 0 HE2 PHE A 18 -16.251 6.004 -5.953 1.00 5.44 H new ATOM 0 HZ PHE A 18 -17.589 6.805 -7.821 1.00 20.24 H new ATOM 258 N ASP A 19 -15.864 1.869 -10.705 1.00 24.33 N ATOM 259 CA ASP A 19 -16.452 1.943 -12.071 1.00 73.21 C ATOM 260 C ASP A 19 -16.181 0.727 -12.877 1.00 61.44 C ATOM 261 O ASP A 19 -17.042 0.274 -13.618 1.00 20.44 O ATOM 262 CB ASP A 19 -15.921 3.149 -12.829 1.00 15.24 C ATOM 263 CG ASP A 19 -16.806 4.382 -12.730 1.00 42.51 C ATOM 264 OD1 ASP A 19 -17.184 4.769 -11.626 1.00 14.33 O ATOM 265 OD2 ASP A 19 -17.093 5.035 -13.757 1.00 63.35 O ATOM 0 H ASP A 19 -15.287 2.680 -10.480 1.00 24.33 H new ATOM 0 HA ASP A 19 -17.529 2.031 -11.926 1.00 73.21 H new ATOM 0 HB2 ASP A 19 -14.929 3.395 -12.450 1.00 15.24 H new ATOM 0 HB3 ASP A 19 -15.804 2.882 -13.879 1.00 15.24 H new ATOM 270 N ALA A 20 -14.971 0.196 -12.747 1.00 51.43 N ATOM 271 CA ALA A 20 -14.602 -1.028 -13.438 1.00 5.10 C ATOM 272 C ALA A 20 -15.597 -2.165 -13.120 1.00 1.43 C ATOM 273 O ALA A 20 -15.924 -2.977 -13.976 1.00 30.21 O ATOM 274 CB ALA A 20 -13.187 -1.436 -13.042 1.00 11.54 C ATOM 0 H ALA A 20 -14.231 0.595 -12.169 1.00 51.43 H new ATOM 0 HA ALA A 20 -14.636 -0.844 -14.512 1.00 5.10 H new ATOM 0 HB1 ALA A 20 -12.914 -2.354 -13.562 1.00 11.54 H new ATOM 0 HB2 ALA A 20 -12.490 -0.644 -13.315 1.00 11.54 H new ATOM 0 HB3 ALA A 20 -13.144 -1.602 -11.966 1.00 11.54 H new ATOM 280 N PHE A 21 -16.032 -2.213 -11.877 1.00 43.52 N ATOM 281 CA PHE A 21 -16.952 -3.231 -11.400 1.00 11.43 C ATOM 282 C PHE A 21 -18.390 -2.696 -11.249 1.00 11.13 C ATOM 283 O PHE A 21 -19.268 -3.409 -10.755 1.00 63.01 O ATOM 284 CB PHE A 21 -16.438 -3.795 -10.077 1.00 35.11 C ATOM 285 CG PHE A 21 -15.031 -4.306 -10.181 1.00 24.11 C ATOM 286 CD1 PHE A 21 -14.762 -5.511 -10.800 1.00 53.15 C ATOM 287 CD2 PHE A 21 -13.972 -3.564 -9.679 1.00 5.11 C ATOM 288 CE1 PHE A 21 -13.468 -5.966 -10.920 1.00 52.33 C ATOM 289 CE2 PHE A 21 -12.677 -4.015 -9.790 1.00 64.32 C ATOM 290 CZ PHE A 21 -12.422 -5.215 -10.413 1.00 33.21 C ATOM 0 H PHE A 21 -15.755 -1.541 -11.161 1.00 43.52 H new ATOM 0 HA PHE A 21 -16.995 -4.026 -12.145 1.00 11.43 H new ATOM 0 HB2 PHE A 21 -16.484 -3.020 -9.312 1.00 35.11 H new ATOM 0 HB3 PHE A 21 -17.092 -4.604 -9.751 1.00 35.11 H new ATOM 0 HD1 PHE A 21 -15.575 -6.103 -11.194 1.00 53.15 H new ATOM 0 HD2 PHE A 21 -14.167 -2.619 -9.194 1.00 5.11 H new ATOM 0 HE1 PHE A 21 -13.270 -6.908 -11.409 1.00 52.33 H new ATOM 0 HE2 PHE A 21 -11.863 -3.429 -9.389 1.00 64.32 H new ATOM 0 HZ PHE A 21 -11.406 -5.571 -10.506 1.00 33.21 H new ATOM 300 N ASP A 22 -18.615 -1.462 -11.665 1.00 72.13 N ATOM 301 CA ASP A 22 -19.908 -0.789 -11.465 1.00 25.41 C ATOM 302 C ASP A 22 -20.806 -1.105 -12.655 1.00 64.45 C ATOM 303 O ASP A 22 -20.338 -1.590 -13.689 1.00 21.12 O ATOM 304 CB ASP A 22 -19.696 0.754 -11.328 1.00 63.54 C ATOM 305 CG ASP A 22 -20.883 1.558 -10.741 1.00 5.54 C ATOM 306 OD1 ASP A 22 -22.056 1.359 -11.167 1.00 52.04 O ATOM 307 OD2 ASP A 22 -20.640 2.456 -9.914 1.00 33.24 O ATOM 0 H ASP A 22 -17.920 -0.893 -12.148 1.00 72.13 H new ATOM 0 HA ASP A 22 -20.378 -1.145 -10.548 1.00 25.41 H new ATOM 0 HB2 ASP A 22 -18.822 0.925 -10.700 1.00 63.54 H new ATOM 0 HB3 ASP A 22 -19.464 1.157 -12.314 1.00 63.54 H new ATOM 312 N GLY A 23 -22.064 -0.838 -12.515 1.00 4.20 N ATOM 313 CA GLY A 23 -23.000 -1.119 -13.544 1.00 45.35 C ATOM 314 C GLY A 23 -23.530 0.144 -14.181 1.00 32.42 C ATOM 315 O GLY A 23 -23.748 0.187 -15.388 1.00 43.13 O ATOM 0 H GLY A 23 -22.469 -0.417 -11.679 1.00 4.20 H new ATOM 0 HA2 GLY A 23 -22.528 -1.739 -14.306 1.00 45.35 H new ATOM 0 HA3 GLY A 23 -23.830 -1.695 -13.133 1.00 45.35 H new ATOM 319 N ASN A 24 -23.746 1.174 -13.377 1.00 1.01 N ATOM 320 CA ASN A 24 -24.330 2.408 -13.897 1.00 73.54 C ATOM 321 C ASN A 24 -23.410 3.629 -13.669 1.00 32.24 C ATOM 322 O ASN A 24 -23.658 4.701 -14.196 1.00 44.14 O ATOM 323 CB ASN A 24 -25.782 2.594 -13.384 1.00 12.10 C ATOM 324 CG ASN A 24 -26.529 3.767 -14.024 1.00 74.05 C ATOM 325 OD1 ASN A 24 -26.637 4.852 -13.321 1.00 5.02 O flip ATOM 326 ND2 ASN A 24 -27.084 3.643 -15.122 1.00 72.34 N flip ATOM 0 H ASN A 24 -23.532 1.185 -12.380 1.00 1.01 H new ATOM 0 HA ASN A 24 -24.407 2.323 -14.981 1.00 73.54 H new ATOM 0 HB2 ASN A 24 -26.341 1.677 -13.570 1.00 12.10 H new ATOM 0 HB3 ASN A 24 -25.758 2.739 -12.304 1.00 12.10 H new ATOM 0 HD21 ASN A 24 -26.980 2.777 -15.651 1.00 72.34 H new ATOM 0 HD22 ASN A 24 -27.646 4.407 -15.499 1.00 72.34 H new ATOM 333 N HIS A 25 -22.338 3.416 -12.880 1.00 21.04 N ATOM 334 CA HIS A 25 -21.211 4.372 -12.613 1.00 71.04 C ATOM 335 C HIS A 25 -21.623 5.590 -11.744 1.00 30.25 C ATOM 336 O HIS A 25 -20.929 6.637 -11.718 1.00 75.45 O ATOM 337 CB HIS A 25 -20.427 4.757 -13.946 1.00 41.52 C ATOM 338 CG HIS A 25 -20.735 6.093 -14.632 1.00 1.33 C ATOM 339 ND1 HIS A 25 -21.979 6.511 -15.017 1.00 23.13 N ATOM 340 CD2 HIS A 25 -19.895 7.105 -14.966 1.00 11.25 C ATOM 341 CE1 HIS A 25 -21.875 7.721 -15.555 1.00 22.35 C ATOM 342 NE2 HIS A 25 -20.623 8.134 -15.548 1.00 65.11 N ATOM 0 H HIS A 25 -22.215 2.535 -12.381 1.00 21.04 H new ATOM 0 HA HIS A 25 -20.493 3.838 -11.991 1.00 71.04 H new ATOM 0 HB2 HIS A 25 -19.362 4.743 -13.716 1.00 41.52 H new ATOM 0 HB3 HIS A 25 -20.606 3.965 -14.673 1.00 41.52 H new ATOM 0 HD1 HIS A 25 -22.844 5.981 -14.909 1.00 23.13 H new ATOM 0 HD2 HIS A 25 -18.827 7.109 -14.804 1.00 11.25 H new ATOM 0 HE1 HIS A 25 -22.705 8.290 -15.946 1.00 22.35 H new ATOM 350 N ASP A 26 -22.648 5.382 -10.918 1.00 52.00 N ATOM 351 CA ASP A 26 -23.255 6.449 -10.072 1.00 73.52 C ATOM 352 C ASP A 26 -22.330 6.906 -8.965 1.00 44.41 C ATOM 353 O ASP A 26 -22.466 8.015 -8.445 1.00 33.11 O ATOM 354 CB ASP A 26 -24.559 5.973 -9.432 1.00 5.34 C ATOM 355 CG ASP A 26 -25.591 5.586 -10.432 1.00 42.22 C ATOM 356 OD1 ASP A 26 -25.565 4.429 -10.879 1.00 12.15 O ATOM 357 OD2 ASP A 26 -26.423 6.425 -10.801 1.00 31.11 O ATOM 0 H ASP A 26 -23.093 4.471 -10.805 1.00 52.00 H new ATOM 0 HA ASP A 26 -23.446 7.285 -10.744 1.00 73.52 H new ATOM 0 HB2 ASP A 26 -24.350 5.121 -8.786 1.00 5.34 H new ATOM 0 HB3 ASP A 26 -24.956 6.765 -8.797 1.00 5.34 H new ATOM 362 N GLY A 27 -21.383 6.084 -8.612 1.00 25.23 N ATOM 363 CA GLY A 27 -20.446 6.470 -7.594 1.00 50.24 C ATOM 364 C GLY A 27 -20.571 5.703 -6.312 1.00 72.10 C ATOM 365 O GLY A 27 -19.867 5.995 -5.349 1.00 34.13 O ATOM 0 H GLY A 27 -21.239 5.155 -9.007 1.00 25.23 H new ATOM 0 HA2 GLY A 27 -19.435 6.343 -7.981 1.00 50.24 H new ATOM 0 HA3 GLY A 27 -20.576 7.531 -7.382 1.00 50.24 H new ATOM 369 N ILE A 28 -21.431 4.725 -6.281 1.00 30.53 N ATOM 370 CA ILE A 28 -21.551 3.887 -5.111 1.00 22.40 C ATOM 371 C ILE A 28 -21.765 2.452 -5.557 1.00 24.34 C ATOM 372 O ILE A 28 -22.206 2.213 -6.667 1.00 42.52 O ATOM 373 CB ILE A 28 -22.712 4.272 -4.094 1.00 71.01 C ATOM 374 CG1 ILE A 28 -24.141 4.214 -4.728 1.00 63.04 C ATOM 375 CG2 ILE A 28 -22.466 5.617 -3.429 1.00 54.44 C ATOM 376 CD1 ILE A 28 -24.455 5.280 -5.771 1.00 64.43 C ATOM 0 H ILE A 28 -22.060 4.485 -7.047 1.00 30.53 H new ATOM 0 HA ILE A 28 -20.621 4.032 -4.562 1.00 22.40 H new ATOM 0 HB ILE A 28 -22.684 3.503 -3.322 1.00 71.01 H new ATOM 0 HG12 ILE A 28 -24.273 3.235 -5.188 1.00 63.04 H new ATOM 0 HG13 ILE A 28 -24.876 4.291 -3.926 1.00 63.04 H new ATOM 0 HG21 ILE A 28 -23.284 5.839 -2.743 1.00 54.44 H new ATOM 0 HG22 ILE A 28 -21.527 5.583 -2.876 1.00 54.44 H new ATOM 0 HG23 ILE A 28 -22.410 6.395 -4.191 1.00 54.44 H new ATOM 0 HD11 ILE A 28 -25.471 5.140 -6.139 1.00 64.43 H new ATOM 0 HD12 ILE A 28 -24.365 6.268 -5.320 1.00 64.43 H new ATOM 0 HD13 ILE A 28 -23.753 5.195 -6.601 1.00 64.43 H new ATOM 388 N LEU A 29 -21.479 1.531 -4.685 1.00 23.44 N ATOM 389 CA LEU A 29 -21.592 0.101 -4.962 1.00 0.43 C ATOM 390 C LEU A 29 -22.355 -0.576 -3.847 1.00 55.11 C ATOM 391 O LEU A 29 -22.343 -0.081 -2.732 1.00 41.31 O ATOM 392 CB LEU A 29 -20.195 -0.520 -5.049 1.00 11.45 C ATOM 393 CG LEU A 29 -19.364 -0.265 -6.293 1.00 51.22 C ATOM 394 CD1 LEU A 29 -18.093 -1.083 -6.226 1.00 41.15 C ATOM 395 CD2 LEU A 29 -20.142 -0.588 -7.554 1.00 22.14 C ATOM 0 H LEU A 29 -21.154 1.740 -3.741 1.00 23.44 H new ATOM 0 HA LEU A 29 -22.118 -0.035 -5.907 1.00 0.43 H new ATOM 0 HB2 LEU A 29 -19.622 -0.169 -4.191 1.00 11.45 H new ATOM 0 HB3 LEU A 29 -20.305 -1.599 -4.939 1.00 11.45 H new ATOM 0 HG LEU A 29 -19.111 0.794 -6.330 1.00 51.22 H new ATOM 0 HD11 LEU A 29 -17.495 -0.901 -7.119 1.00 41.15 H new ATOM 0 HD12 LEU A 29 -17.522 -0.797 -5.343 1.00 41.15 H new ATOM 0 HD13 LEU A 29 -18.345 -2.142 -6.168 1.00 41.15 H new ATOM 0 HD21 LEU A 29 -19.518 -0.394 -8.426 1.00 22.14 H new ATOM 0 HD22 LEU A 29 -20.434 -1.638 -7.543 1.00 22.14 H new ATOM 0 HD23 LEU A 29 -21.034 0.036 -7.601 1.00 22.14 H new ATOM 407 N ASP A 30 -23.045 -1.653 -4.119 1.00 61.24 N ATOM 408 CA ASP A 30 -23.660 -2.413 -3.040 1.00 22.22 C ATOM 409 C ASP A 30 -22.710 -3.587 -2.670 1.00 61.41 C ATOM 410 O ASP A 30 -21.559 -3.683 -3.198 1.00 61.01 O ATOM 411 CB ASP A 30 -25.088 -2.913 -3.407 1.00 70.04 C ATOM 412 CG ASP A 30 -25.910 -3.344 -2.176 1.00 52.31 C ATOM 413 OD1 ASP A 30 -25.776 -4.520 -1.721 1.00 62.13 O ATOM 414 OD2 ASP A 30 -26.654 -2.511 -1.626 1.00 42.31 O ATOM 0 H ASP A 30 -23.199 -2.026 -5.056 1.00 61.24 H new ATOM 0 HA ASP A 30 -23.796 -1.764 -2.175 1.00 22.22 H new ATOM 0 HB2 ASP A 30 -25.620 -2.121 -3.933 1.00 70.04 H new ATOM 0 HB3 ASP A 30 -25.007 -3.754 -4.095 1.00 70.04 H new ATOM 419 N LYS A 31 -23.162 -4.474 -1.812 1.00 70.51 N ATOM 420 CA LYS A 31 -22.361 -5.543 -1.267 1.00 71.43 C ATOM 421 C LYS A 31 -21.992 -6.541 -2.368 1.00 45.55 C ATOM 422 O LYS A 31 -20.863 -7.051 -2.408 1.00 74.22 O ATOM 423 CB LYS A 31 -23.152 -6.260 -0.141 1.00 65.03 C ATOM 424 CG LYS A 31 -22.315 -7.176 0.758 1.00 14.02 C ATOM 425 CD LYS A 31 -23.174 -7.885 1.809 1.00 34.44 C ATOM 426 CE LYS A 31 -22.322 -8.549 2.910 1.00 33.45 C ATOM 427 NZ LYS A 31 -21.417 -9.617 2.420 1.00 11.12 N ATOM 0 H LYS A 31 -24.122 -4.470 -1.466 1.00 70.51 H new ATOM 0 HA LYS A 31 -21.442 -5.127 -0.853 1.00 71.43 H new ATOM 0 HB2 LYS A 31 -23.632 -5.505 0.482 1.00 65.03 H new ATOM 0 HB3 LYS A 31 -23.947 -6.851 -0.596 1.00 65.03 H new ATOM 0 HG2 LYS A 31 -21.805 -7.919 0.145 1.00 14.02 H new ATOM 0 HG3 LYS A 31 -21.543 -6.589 1.256 1.00 14.02 H new ATOM 0 HD2 LYS A 31 -23.855 -7.166 2.264 1.00 34.44 H new ATOM 0 HD3 LYS A 31 -23.789 -8.642 1.322 1.00 34.44 H new ATOM 0 HE2 LYS A 31 -21.726 -7.782 3.404 1.00 33.45 H new ATOM 0 HE3 LYS A 31 -22.987 -8.970 3.664 1.00 33.45 H new ATOM 0 HZ1 LYS A 31 -21.264 -10.316 3.175 1.00 11.12 H new ATOM 0 HZ2 LYS A 31 -21.847 -10.085 1.597 1.00 11.12 H new ATOM 0 HZ3 LYS A 31 -20.505 -9.200 2.144 1.00 11.12 H new ATOM 441 N LEU A 32 -22.912 -6.748 -3.291 1.00 33.23 N ATOM 442 CA LEU A 32 -22.763 -7.749 -4.339 1.00 73.44 C ATOM 443 C LEU A 32 -21.649 -7.398 -5.327 1.00 13.24 C ATOM 444 O LEU A 32 -20.868 -8.286 -5.744 1.00 61.24 O ATOM 445 CB LEU A 32 -24.089 -7.961 -5.080 1.00 22.32 C ATOM 446 CG LEU A 32 -25.277 -8.434 -4.227 1.00 54.03 C ATOM 447 CD1 LEU A 32 -26.527 -8.558 -5.081 1.00 51.32 C ATOM 448 CD2 LEU A 32 -24.966 -9.764 -3.546 1.00 53.41 C ATOM 0 H LEU A 32 -23.788 -6.227 -3.338 1.00 33.23 H new ATOM 0 HA LEU A 32 -22.478 -8.680 -3.849 1.00 73.44 H new ATOM 0 HB2 LEU A 32 -24.366 -7.023 -5.562 1.00 22.32 H new ATOM 0 HB3 LEU A 32 -23.925 -8.691 -5.873 1.00 22.32 H new ATOM 0 HG LEU A 32 -25.455 -7.689 -3.452 1.00 54.03 H new ATOM 0 HD11 LEU A 32 -27.359 -8.894 -4.462 1.00 51.32 H new ATOM 0 HD12 LEU A 32 -26.768 -7.588 -5.517 1.00 51.32 H new ATOM 0 HD13 LEU A 32 -26.353 -9.281 -5.878 1.00 51.32 H new ATOM 0 HD21 LEU A 32 -25.823 -10.076 -2.949 1.00 53.41 H new ATOM 0 HD22 LEU A 32 -24.756 -10.520 -4.303 1.00 53.41 H new ATOM 0 HD23 LEU A 32 -24.096 -9.647 -2.899 1.00 53.41 H new ATOM 460 N GLU A 33 -21.585 -6.147 -5.712 1.00 2.43 N ATOM 461 CA GLU A 33 -20.569 -5.662 -6.625 1.00 24.32 C ATOM 462 C GLU A 33 -19.249 -5.525 -5.901 1.00 53.14 C ATOM 463 O GLU A 33 -18.187 -5.897 -6.437 1.00 53.25 O ATOM 464 CB GLU A 33 -20.932 -4.303 -7.257 1.00 65.12 C ATOM 465 CG GLU A 33 -22.345 -4.183 -7.817 1.00 43.01 C ATOM 466 CD GLU A 33 -23.358 -3.899 -6.734 1.00 2.20 C ATOM 467 OE1 GLU A 33 -23.836 -4.852 -6.088 1.00 62.21 O ATOM 468 OE2 GLU A 33 -23.623 -2.727 -6.483 1.00 71.43 O ATOM 0 H GLU A 33 -22.239 -5.429 -5.401 1.00 2.43 H new ATOM 0 HA GLU A 33 -20.496 -6.395 -7.429 1.00 24.32 H new ATOM 0 HB2 GLU A 33 -20.793 -3.526 -6.505 1.00 65.12 H new ATOM 0 HB3 GLU A 33 -20.225 -4.098 -8.061 1.00 65.12 H new ATOM 0 HG2 GLU A 33 -22.375 -3.386 -8.560 1.00 43.01 H new ATOM 0 HG3 GLU A 33 -22.612 -5.107 -8.330 1.00 43.01 H new ATOM 475 N PHE A 34 -19.299 -5.039 -4.658 1.00 52.44 N ATOM 476 CA PHE A 34 -18.074 -4.849 -3.896 1.00 4.31 C ATOM 477 C PHE A 34 -17.415 -6.209 -3.610 1.00 3.41 C ATOM 478 O PHE A 34 -16.190 -6.315 -3.457 1.00 64.40 O ATOM 479 CB PHE A 34 -18.339 -4.057 -2.621 1.00 22.31 C ATOM 480 CG PHE A 34 -17.143 -3.281 -2.159 1.00 60.31 C ATOM 481 CD1 PHE A 34 -16.457 -2.483 -3.063 1.00 61.40 C ATOM 482 CD2 PHE A 34 -16.708 -3.336 -0.849 1.00 4.42 C ATOM 483 CE1 PHE A 34 -15.365 -1.754 -2.686 1.00 35.21 C ATOM 484 CE2 PHE A 34 -15.606 -2.601 -0.446 1.00 13.13 C ATOM 485 CZ PHE A 34 -14.931 -1.807 -1.363 1.00 65.24 C ATOM 0 H PHE A 34 -20.156 -4.777 -4.171 1.00 52.44 H new ATOM 0 HA PHE A 34 -17.375 -4.260 -4.490 1.00 4.31 H new ATOM 0 HB2 PHE A 34 -19.168 -3.370 -2.791 1.00 22.31 H new ATOM 0 HB3 PHE A 34 -18.649 -4.742 -1.832 1.00 22.31 H new ATOM 0 HD1 PHE A 34 -16.794 -2.437 -4.088 1.00 61.40 H new ATOM 0 HD2 PHE A 34 -17.230 -3.956 -0.135 1.00 4.42 H new ATOM 0 HE1 PHE A 34 -14.843 -1.142 -3.407 1.00 35.21 H new ATOM 0 HE2 PHE A 34 -15.272 -2.645 0.580 1.00 13.13 H new ATOM 0 HZ PHE A 34 -14.072 -1.232 -1.052 1.00 65.24 H new ATOM 495 N ARG A 35 -18.249 -7.237 -3.575 1.00 74.10 N ATOM 496 CA ARG A 35 -17.819 -8.624 -3.490 1.00 30.24 C ATOM 497 C ARG A 35 -16.913 -8.968 -4.682 1.00 64.31 C ATOM 498 O ARG A 35 -15.921 -9.678 -4.530 1.00 65.44 O ATOM 499 CB ARG A 35 -19.091 -9.525 -3.422 1.00 74.22 C ATOM 500 CG ARG A 35 -18.934 -11.059 -3.552 1.00 74.20 C ATOM 501 CD ARG A 35 -18.723 -11.518 -5.001 1.00 15.40 C ATOM 502 NE ARG A 35 -19.739 -10.946 -5.912 1.00 75.42 N ATOM 503 CZ ARG A 35 -20.102 -11.444 -7.099 1.00 23.20 C ATOM 504 NH1 ARG A 35 -19.578 -12.598 -7.541 1.00 24.12 N ATOM 505 NH2 ARG A 35 -20.989 -10.777 -7.845 1.00 4.11 N ATOM 0 H ARG A 35 -19.263 -7.128 -3.605 1.00 74.10 H new ATOM 0 HA ARG A 35 -17.227 -8.797 -2.591 1.00 30.24 H new ATOM 0 HB2 ARG A 35 -19.585 -9.325 -2.471 1.00 74.22 H new ATOM 0 HB3 ARG A 35 -19.769 -9.196 -4.209 1.00 74.22 H new ATOM 0 HG2 ARG A 35 -18.088 -11.385 -2.946 1.00 74.20 H new ATOM 0 HG3 ARG A 35 -19.822 -11.545 -3.148 1.00 74.20 H new ATOM 0 HD2 ARG A 35 -17.728 -11.223 -5.335 1.00 15.40 H new ATOM 0 HD3 ARG A 35 -18.765 -12.606 -5.047 1.00 15.40 H new ATOM 0 HE ARG A 35 -20.206 -10.092 -5.606 1.00 75.42 H new ATOM 0 HH11 ARG A 35 -18.898 -13.101 -6.971 1.00 24.12 H new ATOM 0 HH12 ARG A 35 -19.860 -12.972 -8.447 1.00 24.12 H new ATOM 0 HH21 ARG A 35 -21.381 -9.898 -7.507 1.00 4.11 H new ATOM 0 HH22 ARG A 35 -21.273 -11.147 -8.752 1.00 4.11 H new ATOM 519 N SER A 36 -17.252 -8.449 -5.851 1.00 52.24 N ATOM 520 CA SER A 36 -16.497 -8.709 -7.061 1.00 24.11 C ATOM 521 C SER A 36 -15.181 -7.937 -7.000 1.00 61.23 C ATOM 522 O SER A 36 -14.106 -8.470 -7.340 1.00 1.10 O ATOM 523 CB SER A 36 -17.307 -8.257 -8.279 1.00 73.31 C ATOM 524 OG SER A 36 -18.654 -8.719 -8.193 1.00 21.23 O ATOM 0 H SER A 36 -18.057 -7.837 -5.985 1.00 52.24 H new ATOM 0 HA SER A 36 -16.292 -9.776 -7.147 1.00 24.11 H new ATOM 0 HB2 SER A 36 -17.295 -7.169 -8.346 1.00 73.31 H new ATOM 0 HB3 SER A 36 -16.845 -8.638 -9.190 1.00 73.31 H new ATOM 0 HG SER A 36 -19.154 -8.418 -8.980 1.00 21.23 H new ATOM 530 N CYS A 37 -15.274 -6.690 -6.535 1.00 51.24 N ATOM 531 CA CYS A 37 -14.114 -5.821 -6.398 1.00 2.52 C ATOM 532 C CYS A 37 -13.031 -6.470 -5.533 1.00 62.15 C ATOM 533 O CYS A 37 -11.922 -6.675 -5.983 1.00 11.02 O ATOM 534 CB CYS A 37 -14.521 -4.486 -5.775 1.00 31.54 C ATOM 535 SG CYS A 37 -15.827 -3.624 -6.654 1.00 31.03 S ATOM 0 H CYS A 37 -16.152 -6.260 -6.245 1.00 51.24 H new ATOM 0 HA CYS A 37 -13.710 -5.653 -7.396 1.00 2.52 H new ATOM 0 HB2 CYS A 37 -14.845 -4.662 -4.749 1.00 31.54 H new ATOM 0 HB3 CYS A 37 -13.645 -3.840 -5.726 1.00 31.54 H new ATOM 0 HG CYS A 37 -16.884 -4.378 -6.708 1.00 31.03 H new ATOM 541 N LEU A 38 -13.384 -6.845 -4.319 1.00 24.21 N ATOM 542 CA LEU A 38 -12.405 -7.378 -3.374 1.00 31.11 C ATOM 543 C LEU A 38 -11.898 -8.764 -3.718 1.00 14.12 C ATOM 544 O LEU A 38 -10.825 -9.168 -3.257 1.00 15.12 O ATOM 545 CB LEU A 38 -12.874 -7.268 -1.916 1.00 21.42 C ATOM 546 CG LEU A 38 -12.687 -5.889 -1.245 1.00 74.02 C ATOM 547 CD1 LEU A 38 -13.370 -4.784 -2.018 1.00 63.24 C ATOM 548 CD2 LEU A 38 -13.187 -5.913 0.186 1.00 23.51 C ATOM 0 H LEU A 38 -14.337 -6.793 -3.959 1.00 24.21 H new ATOM 0 HA LEU A 38 -11.535 -6.729 -3.477 1.00 31.11 H new ATOM 0 HB2 LEU A 38 -13.931 -7.529 -1.875 1.00 21.42 H new ATOM 0 HB3 LEU A 38 -12.339 -8.012 -1.326 1.00 21.42 H new ATOM 0 HG LEU A 38 -11.617 -5.679 -1.243 1.00 74.02 H new ATOM 0 HD11 LEU A 38 -13.212 -3.833 -1.510 1.00 63.24 H new ATOM 0 HD12 LEU A 38 -12.953 -4.732 -3.024 1.00 63.24 H new ATOM 0 HD13 LEU A 38 -14.439 -4.990 -2.079 1.00 63.24 H new ATOM 0 HD21 LEU A 38 -13.045 -4.931 0.638 1.00 23.51 H new ATOM 0 HD22 LEU A 38 -14.247 -6.167 0.197 1.00 23.51 H new ATOM 0 HD23 LEU A 38 -12.629 -6.658 0.754 1.00 23.51 H new ATOM 560 N SER A 39 -12.627 -9.490 -4.520 1.00 43.44 N ATOM 561 CA SER A 39 -12.148 -10.775 -4.928 1.00 13.30 C ATOM 562 C SER A 39 -11.099 -10.623 -6.022 1.00 61.53 C ATOM 563 O SER A 39 -9.978 -11.098 -5.886 1.00 11.21 O ATOM 564 CB SER A 39 -13.306 -11.710 -5.309 1.00 3.34 C ATOM 565 OG SER A 39 -14.253 -11.052 -6.129 1.00 51.41 O ATOM 0 H SER A 39 -13.536 -9.219 -4.896 1.00 43.44 H new ATOM 0 HA SER A 39 -11.653 -11.257 -4.085 1.00 13.30 H new ATOM 0 HB2 SER A 39 -12.914 -12.583 -5.832 1.00 3.34 H new ATOM 0 HB3 SER A 39 -13.795 -12.073 -4.405 1.00 3.34 H new ATOM 0 HG SER A 39 -14.957 -10.663 -5.569 1.00 51.41 H new ATOM 571 N SER A 40 -11.426 -9.854 -7.044 1.00 52.33 N ATOM 572 CA SER A 40 -10.509 -9.651 -8.156 1.00 31.34 C ATOM 573 C SER A 40 -9.316 -8.741 -7.778 1.00 44.00 C ATOM 574 O SER A 40 -8.264 -8.789 -8.410 1.00 3.23 O ATOM 575 CB SER A 40 -11.277 -9.104 -9.350 1.00 73.25 C ATOM 576 OG SER A 40 -12.045 -7.982 -8.971 1.00 34.11 O ATOM 0 H SER A 40 -12.315 -9.361 -7.130 1.00 52.33 H new ATOM 0 HA SER A 40 -10.075 -10.615 -8.422 1.00 31.34 H new ATOM 0 HB2 SER A 40 -10.581 -8.825 -10.141 1.00 73.25 H new ATOM 0 HB3 SER A 40 -11.928 -9.878 -9.757 1.00 73.25 H new ATOM 0 HG SER A 40 -12.901 -8.282 -8.599 1.00 34.11 H new ATOM 582 N MET A 41 -9.491 -7.930 -6.733 1.00 11.31 N ATOM 583 CA MET A 41 -8.438 -7.022 -6.258 1.00 45.13 C ATOM 584 C MET A 41 -7.380 -7.795 -5.456 1.00 43.45 C ATOM 585 O MET A 41 -6.294 -7.287 -5.190 1.00 15.52 O ATOM 586 CB MET A 41 -9.051 -5.911 -5.389 1.00 52.50 C ATOM 587 CG MET A 41 -8.107 -4.766 -5.022 1.00 24.21 C ATOM 588 SD MET A 41 -8.855 -3.579 -3.865 1.00 60.32 S ATOM 589 CE MET A 41 -10.340 -3.104 -4.754 1.00 14.41 C ATOM 0 H MET A 41 -10.356 -7.882 -6.195 1.00 11.31 H new ATOM 0 HA MET A 41 -7.954 -6.570 -7.124 1.00 45.13 H new ATOM 0 HB2 MET A 41 -9.911 -5.496 -5.915 1.00 52.50 H new ATOM 0 HB3 MET A 41 -9.426 -6.359 -4.469 1.00 52.50 H new ATOM 0 HG2 MET A 41 -7.200 -5.177 -4.578 1.00 24.21 H new ATOM 0 HG3 MET A 41 -7.808 -4.242 -5.930 1.00 24.21 H new ATOM 0 HE1 MET A 41 -10.807 -2.255 -4.255 1.00 14.41 H new ATOM 0 HE2 MET A 41 -10.079 -2.826 -5.775 1.00 14.41 H new ATOM 0 HE3 MET A 41 -11.037 -3.942 -4.773 1.00 14.41 H new ATOM 599 N GLY A 42 -7.708 -9.017 -5.074 1.00 12.25 N ATOM 600 CA GLY A 42 -6.760 -9.832 -4.349 1.00 22.32 C ATOM 601 C GLY A 42 -6.921 -9.768 -2.844 1.00 13.13 C ATOM 602 O GLY A 42 -5.962 -9.970 -2.108 1.00 75.42 O ATOM 0 H GLY A 42 -8.610 -9.458 -5.252 1.00 12.25 H new ATOM 0 HA2 GLY A 42 -6.864 -10.868 -4.672 1.00 22.32 H new ATOM 0 HA3 GLY A 42 -5.750 -9.517 -4.610 1.00 22.32 H new ATOM 606 N LEU A 43 -8.117 -9.466 -2.380 1.00 65.31 N ATOM 607 CA LEU A 43 -8.383 -9.474 -0.945 1.00 14.43 C ATOM 608 C LEU A 43 -8.934 -10.806 -0.544 1.00 63.21 C ATOM 609 O LEU A 43 -8.409 -11.479 0.332 1.00 33.32 O ATOM 610 CB LEU A 43 -9.407 -8.395 -0.516 1.00 54.00 C ATOM 611 CG LEU A 43 -8.938 -6.933 -0.365 1.00 21.00 C ATOM 612 CD1 LEU A 43 -7.769 -6.812 0.598 1.00 11.41 C ATOM 613 CD2 LEU A 43 -8.617 -6.298 -1.702 1.00 73.21 C ATOM 0 H LEU A 43 -8.915 -9.214 -2.963 1.00 65.31 H new ATOM 0 HA LEU A 43 -7.433 -9.263 -0.454 1.00 14.43 H new ATOM 0 HB2 LEU A 43 -10.220 -8.406 -1.242 1.00 54.00 H new ATOM 0 HB3 LEU A 43 -9.830 -8.705 0.440 1.00 54.00 H new ATOM 0 HG LEU A 43 -9.774 -6.379 0.063 1.00 21.00 H new ATOM 0 HD11 LEU A 43 -7.469 -5.767 0.676 1.00 11.41 H new ATOM 0 HD12 LEU A 43 -8.067 -7.179 1.580 1.00 11.41 H new ATOM 0 HD13 LEU A 43 -6.931 -7.403 0.229 1.00 11.41 H new ATOM 0 HD21 LEU A 43 -8.291 -5.269 -1.547 1.00 73.21 H new ATOM 0 HD22 LEU A 43 -7.822 -6.861 -2.191 1.00 73.21 H new ATOM 0 HD23 LEU A 43 -9.507 -6.306 -2.332 1.00 73.21 H new ATOM 625 N ILE A 44 -9.991 -11.180 -1.206 1.00 5.54 N ATOM 626 CA ILE A 44 -10.718 -12.366 -0.870 1.00 14.32 C ATOM 627 C ILE A 44 -10.792 -13.297 -2.083 1.00 51.44 C ATOM 628 O ILE A 44 -11.444 -12.993 -3.072 1.00 30.55 O ATOM 629 CB ILE A 44 -12.149 -11.974 -0.343 1.00 23.22 C ATOM 630 CG1 ILE A 44 -12.915 -11.130 -1.391 1.00 43.32 C ATOM 631 CG2 ILE A 44 -12.040 -11.221 0.978 1.00 15.14 C ATOM 632 CD1 ILE A 44 -14.262 -10.610 -0.959 1.00 21.15 C ATOM 0 H ILE A 44 -10.374 -10.666 -1.999 1.00 5.54 H new ATOM 0 HA ILE A 44 -10.202 -12.905 -0.075 1.00 14.32 H new ATOM 0 HB ILE A 44 -12.713 -12.891 -0.175 1.00 23.22 H new ATOM 0 HG12 ILE A 44 -12.292 -10.281 -1.671 1.00 43.32 H new ATOM 0 HG13 ILE A 44 -13.051 -11.735 -2.287 1.00 43.32 H new ATOM 0 HG21 ILE A 44 -13.037 -10.957 1.330 1.00 15.14 H new ATOM 0 HG22 ILE A 44 -11.550 -11.854 1.718 1.00 15.14 H new ATOM 0 HG23 ILE A 44 -11.454 -10.313 0.832 1.00 15.14 H new ATOM 0 HD11 ILE A 44 -14.707 -10.034 -1.770 1.00 21.15 H new ATOM 0 HD12 ILE A 44 -14.913 -11.448 -0.710 1.00 21.15 H new ATOM 0 HD13 ILE A 44 -14.142 -9.971 -0.084 1.00 21.15 H new ATOM 644 N ASP A 45 -10.099 -14.397 -2.030 1.00 72.33 N ATOM 645 CA ASP A 45 -10.099 -15.308 -3.168 1.00 13.43 C ATOM 646 C ASP A 45 -10.651 -16.662 -2.783 1.00 73.41 C ATOM 647 O ASP A 45 -10.318 -17.223 -1.725 1.00 24.44 O ATOM 648 CB ASP A 45 -8.726 -15.419 -3.821 1.00 32.32 C ATOM 649 CG ASP A 45 -8.772 -16.269 -5.075 1.00 33.31 C ATOM 650 OD1 ASP A 45 -9.822 -16.244 -5.774 1.00 25.43 O ATOM 651 OD2 ASP A 45 -7.793 -16.969 -5.346 1.00 1.21 O ATOM 0 H ASP A 45 -9.533 -14.693 -1.235 1.00 72.33 H new ATOM 0 HA ASP A 45 -10.763 -14.882 -3.920 1.00 13.43 H new ATOM 0 HB2 ASP A 45 -8.359 -14.423 -4.069 1.00 32.32 H new ATOM 0 HB3 ASP A 45 -8.020 -15.852 -3.113 1.00 32.32 H new ATOM 656 N ILE A 46 -11.452 -17.211 -3.646 1.00 22.01 N ATOM 657 CA ILE A 46 -12.199 -18.392 -3.329 1.00 10.32 C ATOM 658 C ILE A 46 -11.439 -19.628 -3.788 1.00 3.33 C ATOM 659 O ILE A 46 -11.803 -20.280 -4.772 1.00 61.04 O ATOM 660 CB ILE A 46 -13.654 -18.415 -3.938 1.00 42.45 C ATOM 661 CG1 ILE A 46 -14.449 -17.092 -3.721 1.00 24.30 C ATOM 662 CG2 ILE A 46 -14.460 -19.579 -3.352 1.00 72.43 C ATOM 663 CD1 ILE A 46 -14.044 -15.921 -4.608 1.00 0.12 C ATOM 0 H ILE A 46 -11.606 -16.854 -4.589 1.00 22.01 H new ATOM 0 HA ILE A 46 -12.316 -18.389 -2.245 1.00 10.32 H new ATOM 0 HB ILE A 46 -13.519 -18.538 -5.013 1.00 42.45 H new ATOM 0 HG12 ILE A 46 -15.508 -17.296 -3.882 1.00 24.30 H new ATOM 0 HG13 ILE A 46 -14.337 -16.790 -2.680 1.00 24.30 H new ATOM 0 HG21 ILE A 46 -15.462 -19.581 -3.782 1.00 72.43 H new ATOM 0 HG22 ILE A 46 -13.963 -20.520 -3.586 1.00 72.43 H new ATOM 0 HG23 ILE A 46 -14.530 -19.465 -2.270 1.00 72.43 H new ATOM 0 HD11 ILE A 46 -14.662 -15.055 -4.371 1.00 0.12 H new ATOM 0 HD12 ILE A 46 -12.996 -15.678 -4.434 1.00 0.12 H new ATOM 0 HD13 ILE A 46 -14.184 -16.192 -5.654 1.00 0.12 H new ATOM 675 N ASP A 47 -10.343 -19.871 -3.133 1.00 10.13 N ATOM 676 CA ASP A 47 -9.547 -21.091 -3.385 1.00 42.14 C ATOM 677 C ASP A 47 -10.216 -22.275 -2.698 1.00 51.15 C ATOM 678 O ASP A 47 -10.860 -23.120 -3.339 1.00 14.10 O ATOM 679 CB ASP A 47 -8.099 -20.914 -2.873 1.00 40.44 C ATOM 680 CG ASP A 47 -7.287 -22.215 -2.868 1.00 3.45 C ATOM 681 OD1 ASP A 47 -6.786 -22.624 -3.932 1.00 11.21 O ATOM 682 OD2 ASP A 47 -7.132 -22.809 -1.769 1.00 41.11 O ATOM 0 H ASP A 47 -9.959 -19.256 -2.415 1.00 10.13 H new ATOM 0 HA ASP A 47 -9.501 -21.274 -4.458 1.00 42.14 H new ATOM 0 HB2 ASP A 47 -7.589 -20.180 -3.496 1.00 40.44 H new ATOM 0 HB3 ASP A 47 -8.127 -20.509 -1.861 1.00 40.44 H new ATOM 687 N PHE A 48 -10.141 -22.291 -1.401 1.00 42.24 N ATOM 688 CA PHE A 48 -10.811 -23.276 -0.628 1.00 21.21 C ATOM 689 C PHE A 48 -11.925 -22.582 0.097 1.00 25.03 C ATOM 690 O PHE A 48 -11.688 -21.886 1.086 1.00 22.05 O ATOM 691 CB PHE A 48 -9.851 -23.975 0.350 1.00 65.03 C ATOM 692 CG PHE A 48 -10.481 -25.110 1.120 1.00 13.53 C ATOM 693 CD1 PHE A 48 -10.662 -26.348 0.523 1.00 51.15 C ATOM 694 CD2 PHE A 48 -10.897 -24.937 2.433 1.00 12.22 C ATOM 695 CE1 PHE A 48 -11.243 -27.390 1.218 1.00 42.42 C ATOM 696 CE2 PHE A 48 -11.479 -25.976 3.132 1.00 54.54 C ATOM 697 CZ PHE A 48 -11.653 -27.204 2.524 1.00 63.01 C ATOM 0 H PHE A 48 -9.609 -21.615 -0.853 1.00 42.24 H new ATOM 0 HA PHE A 48 -11.206 -24.062 -1.272 1.00 21.21 H new ATOM 0 HB2 PHE A 48 -8.996 -24.358 -0.207 1.00 65.03 H new ATOM 0 HB3 PHE A 48 -9.468 -23.238 1.056 1.00 65.03 H new ATOM 0 HD1 PHE A 48 -10.345 -26.499 -0.498 1.00 51.15 H new ATOM 0 HD2 PHE A 48 -10.764 -23.979 2.913 1.00 12.22 H new ATOM 0 HE1 PHE A 48 -11.377 -28.350 0.741 1.00 42.42 H new ATOM 0 HE2 PHE A 48 -11.798 -25.829 4.153 1.00 54.54 H new ATOM 0 HZ PHE A 48 -12.109 -28.017 3.069 1.00 63.01 H new ATOM 707 N THR A 49 -13.115 -22.716 -0.443 1.00 23.02 N ATOM 708 CA THR A 49 -14.278 -22.050 0.079 1.00 62.33 C ATOM 709 C THR A 49 -14.572 -22.460 1.532 1.00 11.31 C ATOM 710 O THR A 49 -14.448 -23.643 1.914 1.00 31.11 O ATOM 711 CB THR A 49 -15.524 -22.239 -0.850 1.00 21.32 C ATOM 712 OG1 THR A 49 -16.629 -21.447 -0.397 1.00 41.53 O ATOM 713 CG2 THR A 49 -15.949 -23.704 -0.939 1.00 21.42 C ATOM 0 H THR A 49 -13.300 -23.295 -1.262 1.00 23.02 H new ATOM 0 HA THR A 49 -14.054 -20.983 0.094 1.00 62.33 H new ATOM 0 HB THR A 49 -15.228 -21.906 -1.845 1.00 21.32 H new ATOM 0 HG1 THR A 49 -16.293 -20.634 0.034 1.00 41.53 H new ATOM 0 HG21 THR A 49 -16.817 -23.792 -1.593 1.00 21.42 H new ATOM 0 HG22 THR A 49 -15.128 -24.297 -1.343 1.00 21.42 H new ATOM 0 HG23 THR A 49 -16.206 -24.069 0.055 1.00 21.42 H new ATOM 721 N GLY A 50 -14.909 -21.473 2.326 1.00 62.41 N ATOM 722 CA GLY A 50 -15.195 -21.678 3.719 1.00 72.20 C ATOM 723 C GLY A 50 -14.284 -20.851 4.592 1.00 0.10 C ATOM 724 O GLY A 50 -14.401 -20.861 5.813 1.00 60.20 O ATOM 0 H GLY A 50 -14.992 -20.503 2.020 1.00 62.41 H new ATOM 0 HA2 GLY A 50 -16.233 -21.416 3.922 1.00 72.20 H new ATOM 0 HA3 GLY A 50 -15.079 -22.733 3.965 1.00 72.20 H new ATOM 728 N GLY A 51 -13.318 -20.204 3.970 1.00 64.15 N ATOM 729 CA GLY A 51 -12.429 -19.333 4.704 1.00 4.04 C ATOM 730 C GLY A 51 -12.630 -17.879 4.340 1.00 21.12 C ATOM 731 O GLY A 51 -12.438 -16.968 5.158 1.00 62.41 O ATOM 0 H GLY A 51 -13.132 -20.265 2.969 1.00 64.15 H new ATOM 0 HA2 GLY A 51 -12.594 -19.465 5.773 1.00 4.04 H new ATOM 0 HA3 GLY A 51 -11.396 -19.617 4.503 1.00 4.04 H new ATOM 735 N GLU A 52 -13.003 -17.675 3.108 1.00 73.21 N ATOM 736 CA GLU A 52 -13.139 -16.374 2.502 1.00 55.04 C ATOM 737 C GLU A 52 -14.425 -15.654 2.903 1.00 35.32 C ATOM 738 O GLU A 52 -14.520 -14.435 2.753 1.00 61.34 O ATOM 739 CB GLU A 52 -13.037 -16.482 0.957 1.00 52.54 C ATOM 740 CG GLU A 52 -14.193 -17.225 0.234 1.00 31.01 C ATOM 741 CD GLU A 52 -14.394 -18.674 0.656 1.00 71.34 C ATOM 742 OE1 GLU A 52 -13.440 -19.307 1.118 1.00 64.42 O ATOM 743 OE2 GLU A 52 -15.509 -19.195 0.530 1.00 61.14 O ATOM 0 H GLU A 52 -13.230 -18.438 2.471 1.00 73.21 H new ATOM 0 HA GLU A 52 -12.315 -15.769 2.880 1.00 55.04 H new ATOM 0 HB2 GLU A 52 -12.972 -15.473 0.549 1.00 52.54 H new ATOM 0 HB3 GLU A 52 -12.102 -16.986 0.712 1.00 52.54 H new ATOM 0 HG2 GLU A 52 -15.120 -16.680 0.410 1.00 31.01 H new ATOM 0 HG3 GLU A 52 -14.006 -17.198 -0.839 1.00 31.01 H new ATOM 750 N ASP A 53 -15.377 -16.385 3.446 1.00 32.01 N ATOM 751 CA ASP A 53 -16.686 -15.826 3.800 1.00 43.01 C ATOM 752 C ASP A 53 -16.551 -14.814 4.944 1.00 42.21 C ATOM 753 O ASP A 53 -16.881 -13.631 4.787 1.00 70.43 O ATOM 754 CB ASP A 53 -17.713 -16.948 4.143 1.00 31.34 C ATOM 755 CG ASP A 53 -17.388 -17.721 5.414 1.00 43.44 C ATOM 756 OD1 ASP A 53 -16.180 -17.975 5.657 1.00 24.21 O ATOM 757 OD2 ASP A 53 -18.312 -18.040 6.171 1.00 12.42 O ATOM 0 H ASP A 53 -15.276 -17.378 3.657 1.00 32.01 H new ATOM 0 HA ASP A 53 -17.073 -15.297 2.929 1.00 43.01 H new ATOM 0 HB2 ASP A 53 -18.702 -16.501 4.245 1.00 31.34 H new ATOM 0 HB3 ASP A 53 -17.763 -17.647 3.308 1.00 31.34 H new ATOM 762 N ALA A 54 -16.006 -15.248 6.059 1.00 2.04 N ATOM 763 CA ALA A 54 -15.808 -14.373 7.185 1.00 53.05 C ATOM 764 C ALA A 54 -14.628 -13.464 6.949 1.00 50.30 C ATOM 765 O ALA A 54 -14.532 -12.406 7.545 1.00 32.14 O ATOM 766 CB ALA A 54 -15.650 -15.148 8.468 1.00 63.21 C ATOM 0 H ALA A 54 -15.692 -16.207 6.207 1.00 2.04 H new ATOM 0 HA ALA A 54 -16.700 -13.755 7.289 1.00 53.05 H new ATOM 0 HB1 ALA A 54 -15.502 -14.455 9.296 1.00 63.21 H new ATOM 0 HB2 ALA A 54 -16.546 -15.742 8.647 1.00 63.21 H new ATOM 0 HB3 ALA A 54 -14.787 -15.809 8.390 1.00 63.21 H new ATOM 772 N GLN A 55 -13.729 -13.887 6.070 1.00 52.12 N ATOM 773 CA GLN A 55 -12.588 -13.071 5.662 1.00 2.53 C ATOM 774 C GLN A 55 -13.124 -11.788 5.029 1.00 12.11 C ATOM 775 O GLN A 55 -12.721 -10.682 5.381 1.00 31.31 O ATOM 776 CB GLN A 55 -11.755 -13.855 4.652 1.00 54.52 C ATOM 777 CG GLN A 55 -10.522 -13.154 4.121 1.00 43.31 C ATOM 778 CD GLN A 55 -9.794 -14.013 3.103 1.00 15.24 C ATOM 779 OE1 GLN A 55 -10.068 -13.958 1.918 1.00 43.31 O ATOM 780 NE2 GLN A 55 -8.874 -14.820 3.564 1.00 41.21 N ATOM 0 H GLN A 55 -13.768 -14.802 5.620 1.00 52.12 H new ATOM 0 HA GLN A 55 -11.959 -12.822 6.517 1.00 2.53 H new ATOM 0 HB2 GLN A 55 -11.445 -14.791 5.116 1.00 54.52 H new ATOM 0 HB3 GLN A 55 -12.393 -14.114 3.807 1.00 54.52 H new ATOM 0 HG2 GLN A 55 -10.808 -12.207 3.663 1.00 43.31 H new ATOM 0 HG3 GLN A 55 -9.851 -12.918 4.947 1.00 43.31 H new ATOM 0 HE21 GLN A 55 -8.669 -14.842 4.563 1.00 41.21 H new ATOM 0 HE22 GLN A 55 -8.362 -15.428 2.925 1.00 41.21 H new ATOM 789 N TYR A 56 -14.065 -11.975 4.123 1.00 72.34 N ATOM 790 CA TYR A 56 -14.781 -10.906 3.466 1.00 42.34 C ATOM 791 C TYR A 56 -15.536 -10.107 4.479 1.00 1.22 C ATOM 792 O TYR A 56 -15.283 -8.910 4.663 1.00 41.21 O ATOM 793 CB TYR A 56 -15.780 -11.540 2.476 1.00 61.04 C ATOM 794 CG TYR A 56 -16.824 -10.648 1.756 1.00 63.31 C ATOM 795 CD1 TYR A 56 -17.274 -9.379 2.232 1.00 35.44 C ATOM 796 CD2 TYR A 56 -17.409 -11.135 0.609 1.00 60.12 C ATOM 797 CE1 TYR A 56 -18.251 -8.694 1.560 1.00 2.54 C ATOM 798 CE2 TYR A 56 -18.371 -10.437 -0.053 1.00 51.43 C ATOM 799 CZ TYR A 56 -18.788 -9.227 0.422 1.00 23.10 C ATOM 800 OH TYR A 56 -19.780 -8.565 -0.229 1.00 10.12 O ATOM 0 H TYR A 56 -14.358 -12.903 3.817 1.00 72.34 H new ATOM 0 HA TYR A 56 -14.083 -10.251 2.945 1.00 42.34 H new ATOM 0 HB2 TYR A 56 -15.198 -12.045 1.705 1.00 61.04 H new ATOM 0 HB3 TYR A 56 -16.329 -12.311 3.017 1.00 61.04 H new ATOM 0 HD1 TYR A 56 -16.841 -8.957 3.127 1.00 35.44 H new ATOM 0 HD2 TYR A 56 -17.097 -12.095 0.225 1.00 60.12 H new ATOM 0 HE1 TYR A 56 -18.595 -7.738 1.927 1.00 2.54 H new ATOM 0 HE2 TYR A 56 -18.805 -10.841 -0.956 1.00 51.43 H new ATOM 0 HH TYR A 56 -19.415 -7.756 -0.644 1.00 10.12 H new ATOM 810 N ASP A 57 -16.478 -10.754 5.115 1.00 35.24 N ATOM 811 CA ASP A 57 -17.394 -10.072 5.966 1.00 30.54 C ATOM 812 C ASP A 57 -16.814 -9.412 7.176 1.00 41.41 C ATOM 813 O ASP A 57 -17.411 -8.524 7.703 1.00 13.01 O ATOM 814 CB ASP A 57 -18.741 -10.775 6.158 1.00 61.23 C ATOM 815 CG ASP A 57 -19.714 -10.408 5.019 1.00 65.43 C ATOM 816 OD1 ASP A 57 -19.733 -11.070 3.954 1.00 51.34 O ATOM 817 OD2 ASP A 57 -20.447 -9.424 5.142 1.00 73.04 O ATOM 0 H ASP A 57 -16.624 -11.762 5.053 1.00 35.24 H new ATOM 0 HA ASP A 57 -17.661 -9.198 5.372 1.00 30.54 H new ATOM 0 HB2 ASP A 57 -18.593 -11.855 6.183 1.00 61.23 H new ATOM 0 HB3 ASP A 57 -19.172 -10.490 7.118 1.00 61.23 H new ATOM 822 N ALA A 58 -15.618 -9.809 7.592 1.00 54.53 N ATOM 823 CA ALA A 58 -14.922 -9.094 8.661 1.00 41.34 C ATOM 824 C ALA A 58 -14.453 -7.726 8.146 1.00 64.14 C ATOM 825 O ALA A 58 -14.503 -6.729 8.862 1.00 22.15 O ATOM 826 CB ALA A 58 -13.735 -9.893 9.182 1.00 14.44 C ATOM 0 H ALA A 58 -15.113 -10.610 7.214 1.00 54.53 H new ATOM 0 HA ALA A 58 -15.618 -8.954 9.488 1.00 41.34 H new ATOM 0 HB1 ALA A 58 -13.240 -9.333 9.975 1.00 14.44 H new ATOM 0 HB2 ALA A 58 -14.084 -10.848 9.575 1.00 14.44 H new ATOM 0 HB3 ALA A 58 -13.031 -10.070 8.369 1.00 14.44 H new ATOM 832 N ILE A 59 -14.026 -7.693 6.884 1.00 22.01 N ATOM 833 CA ILE A 59 -13.585 -6.458 6.231 1.00 25.24 C ATOM 834 C ILE A 59 -14.805 -5.591 5.963 1.00 15.23 C ATOM 835 O ILE A 59 -14.833 -4.385 6.282 1.00 22.11 O ATOM 836 CB ILE A 59 -12.877 -6.753 4.870 1.00 21.13 C ATOM 837 CG1 ILE A 59 -11.648 -7.651 5.075 1.00 64.42 C ATOM 838 CG2 ILE A 59 -12.480 -5.449 4.162 1.00 32.03 C ATOM 839 CD1 ILE A 59 -10.984 -8.092 3.780 1.00 34.33 C ATOM 0 H ILE A 59 -13.976 -8.518 6.286 1.00 22.01 H new ATOM 0 HA ILE A 59 -12.876 -5.954 6.888 1.00 25.24 H new ATOM 0 HB ILE A 59 -13.586 -7.283 4.234 1.00 21.13 H new ATOM 0 HG12 ILE A 59 -10.918 -7.117 5.683 1.00 64.42 H new ATOM 0 HG13 ILE A 59 -11.946 -8.535 5.638 1.00 64.42 H new ATOM 0 HG21 ILE A 59 -11.989 -5.683 3.217 1.00 32.03 H new ATOM 0 HG22 ILE A 59 -13.372 -4.853 3.970 1.00 32.03 H new ATOM 0 HG23 ILE A 59 -11.796 -4.884 4.796 1.00 32.03 H new ATOM 0 HD11 ILE A 59 -10.125 -8.723 4.008 1.00 34.33 H new ATOM 0 HD12 ILE A 59 -11.698 -8.655 3.179 1.00 34.33 H new ATOM 0 HD13 ILE A 59 -10.653 -7.215 3.224 1.00 34.33 H new ATOM 851 N TYR A 60 -15.835 -6.226 5.406 1.00 60.05 N ATOM 852 CA TYR A 60 -17.074 -5.550 5.084 1.00 43.31 C ATOM 853 C TYR A 60 -17.697 -4.988 6.345 1.00 5.14 C ATOM 854 O TYR A 60 -18.192 -3.867 6.361 1.00 41.21 O ATOM 855 CB TYR A 60 -18.040 -6.482 4.365 1.00 33.22 C ATOM 856 CG TYR A 60 -19.311 -5.798 3.929 1.00 64.52 C ATOM 857 CD1 TYR A 60 -19.304 -4.898 2.870 1.00 34.01 C ATOM 858 CD2 TYR A 60 -20.506 -6.029 4.588 1.00 62.24 C ATOM 859 CE1 TYR A 60 -20.456 -4.254 2.481 1.00 23.13 C ATOM 860 CE2 TYR A 60 -21.660 -5.387 4.207 1.00 20.33 C ATOM 861 CZ TYR A 60 -21.629 -4.503 3.154 1.00 31.13 C ATOM 862 OH TYR A 60 -22.770 -3.860 2.786 1.00 35.40 O ATOM 0 H TYR A 60 -15.827 -7.218 5.169 1.00 60.05 H new ATOM 0 HA TYR A 60 -16.853 -4.726 4.406 1.00 43.31 H new ATOM 0 HB2 TYR A 60 -17.544 -6.905 3.491 1.00 33.22 H new ATOM 0 HB3 TYR A 60 -18.290 -7.314 5.023 1.00 33.22 H new ATOM 0 HD1 TYR A 60 -18.381 -4.701 2.345 1.00 34.01 H new ATOM 0 HD2 TYR A 60 -20.532 -6.724 5.414 1.00 62.24 H new ATOM 0 HE1 TYR A 60 -20.439 -3.559 1.654 1.00 23.13 H new ATOM 0 HE2 TYR A 60 -22.585 -5.576 4.731 1.00 20.33 H new ATOM 0 HH TYR A 60 -23.530 -4.475 2.858 1.00 35.40 H new ATOM 872 N ASN A 61 -17.628 -5.772 7.384 1.00 34.11 N ATOM 873 CA ASN A 61 -18.090 -5.365 8.748 1.00 25.31 C ATOM 874 C ASN A 61 -17.430 -4.053 9.224 1.00 44.33 C ATOM 875 O ASN A 61 -18.006 -3.315 10.005 1.00 42.21 O ATOM 876 CB ASN A 61 -17.798 -6.484 9.778 1.00 63.24 C ATOM 877 CG ASN A 61 -18.208 -6.156 11.212 1.00 73.03 C ATOM 878 OD1 ASN A 61 -19.329 -6.416 11.625 1.00 51.52 O ATOM 879 ND2 ASN A 61 -17.288 -5.630 11.990 1.00 22.10 N ATOM 0 H ASN A 61 -17.254 -6.720 7.344 1.00 34.11 H new ATOM 0 HA ASN A 61 -19.165 -5.197 8.676 1.00 25.31 H new ATOM 0 HB2 ASN A 61 -18.316 -7.391 9.465 1.00 63.24 H new ATOM 0 HB3 ASN A 61 -16.731 -6.705 9.761 1.00 63.24 H new ATOM 0 HD21 ASN A 61 -17.501 -5.428 12.967 1.00 22.10 H new ATOM 0 HD22 ASN A 61 -16.361 -5.424 11.617 1.00 22.10 H new ATOM 886 N ASN A 62 -16.220 -3.773 8.764 1.00 60.25 N ATOM 887 CA ASN A 62 -15.540 -2.560 9.202 1.00 11.30 C ATOM 888 C ASN A 62 -15.868 -1.388 8.270 1.00 3.43 C ATOM 889 O ASN A 62 -16.060 -0.252 8.725 1.00 34.24 O ATOM 890 CB ASN A 62 -14.023 -2.775 9.341 1.00 71.02 C ATOM 891 CG ASN A 62 -13.351 -1.666 10.148 1.00 44.43 C ATOM 892 OD1 ASN A 62 -13.303 -1.733 11.380 1.00 43.32 O ATOM 893 ND2 ASN A 62 -12.771 -0.705 9.494 1.00 13.24 N ATOM 0 H ASN A 62 -15.698 -4.351 8.105 1.00 60.25 H new ATOM 0 HA ASN A 62 -15.911 -2.308 10.195 1.00 11.30 H new ATOM 0 HB2 ASN A 62 -13.837 -3.735 9.823 1.00 71.02 H new ATOM 0 HB3 ASN A 62 -13.573 -2.823 8.349 1.00 71.02 H new ATOM 0 HD21 ASN A 62 -12.260 0.019 9.999 1.00 13.24 H new ATOM 0 HD22 ASN A 62 -12.827 -0.675 8.476 1.00 13.24 H new ATOM 900 N VAL A 63 -15.954 -1.661 6.956 1.00 24.42 N ATOM 901 CA VAL A 63 -16.355 -0.612 6.002 1.00 34.23 C ATOM 902 C VAL A 63 -17.799 -0.135 6.248 1.00 55.34 C ATOM 903 O VAL A 63 -18.052 1.074 6.369 1.00 14.05 O ATOM 904 CB VAL A 63 -16.069 -0.959 4.469 1.00 54.21 C ATOM 905 CG1 VAL A 63 -16.333 -2.402 4.145 1.00 2.25 C ATOM 906 CG2 VAL A 63 -16.912 -0.099 3.531 1.00 44.54 C ATOM 0 H VAL A 63 -15.758 -2.571 6.539 1.00 24.42 H new ATOM 0 HA VAL A 63 -15.694 0.230 6.209 1.00 34.23 H new ATOM 0 HB VAL A 63 -15.010 -0.749 4.318 1.00 54.21 H new ATOM 0 HG11 VAL A 63 -16.123 -2.583 3.091 1.00 2.25 H new ATOM 0 HG12 VAL A 63 -15.691 -3.036 4.757 1.00 2.25 H new ATOM 0 HG13 VAL A 63 -17.377 -2.636 4.352 1.00 2.25 H new ATOM 0 HG21 VAL A 63 -16.690 -0.363 2.497 1.00 44.54 H new ATOM 0 HG22 VAL A 63 -17.969 -0.272 3.731 1.00 44.54 H new ATOM 0 HG23 VAL A 63 -16.679 0.953 3.694 1.00 44.54 H new ATOM 916 N THR A 64 -18.737 -1.044 6.276 1.00 51.22 N ATOM 917 CA THR A 64 -20.088 -0.697 6.614 1.00 34.14 C ATOM 918 C THR A 64 -20.314 -0.865 8.099 1.00 12.23 C ATOM 919 O THR A 64 -20.214 -1.963 8.615 1.00 60.12 O ATOM 920 CB THR A 64 -21.097 -1.487 5.791 1.00 4.32 C ATOM 921 OG1 THR A 64 -20.686 -2.848 5.718 1.00 61.04 O ATOM 922 CG2 THR A 64 -21.200 -0.902 4.402 1.00 34.13 C ATOM 0 H THR A 64 -18.588 -2.031 6.068 1.00 51.22 H new ATOM 0 HA THR A 64 -20.244 0.353 6.365 1.00 34.14 H new ATOM 0 HB THR A 64 -22.076 -1.431 6.268 1.00 4.32 H new ATOM 0 HG1 THR A 64 -21.131 -3.284 4.961 1.00 61.04 H new ATOM 0 HG21 THR A 64 -21.924 -1.473 3.820 1.00 34.13 H new ATOM 0 HG22 THR A 64 -21.525 0.136 4.468 1.00 34.13 H new ATOM 0 HG23 THR A 64 -20.226 -0.947 3.915 1.00 34.13 H new ATOM 930 N LYS A 65 -20.661 0.202 8.758 1.00 62.20 N ATOM 931 CA LYS A 65 -20.773 0.214 10.208 1.00 13.15 C ATOM 932 C LYS A 65 -22.234 0.159 10.643 1.00 44.12 C ATOM 933 O LYS A 65 -22.586 0.524 11.765 1.00 24.22 O ATOM 934 CB LYS A 65 -20.006 1.430 10.846 1.00 5.11 C ATOM 935 CG LYS A 65 -20.263 2.818 10.221 1.00 73.31 C ATOM 936 CD LYS A 65 -19.488 3.019 8.908 1.00 5.41 C ATOM 937 CE LYS A 65 -19.927 4.279 8.176 1.00 73.20 C ATOM 938 NZ LYS A 65 -19.252 4.421 6.870 1.00 35.04 N ATOM 0 H LYS A 65 -20.877 1.095 8.315 1.00 62.20 H new ATOM 0 HA LYS A 65 -20.288 -0.686 10.586 1.00 13.15 H new ATOM 0 HB2 LYS A 65 -20.267 1.480 11.903 1.00 5.11 H new ATOM 0 HB3 LYS A 65 -18.937 1.225 10.791 1.00 5.11 H new ATOM 0 HG2 LYS A 65 -21.330 2.937 10.033 1.00 73.31 H new ATOM 0 HG3 LYS A 65 -19.976 3.593 10.932 1.00 73.31 H new ATOM 0 HD2 LYS A 65 -18.421 3.077 9.122 1.00 5.41 H new ATOM 0 HD3 LYS A 65 -19.637 2.154 8.262 1.00 5.41 H new ATOM 0 HE2 LYS A 65 -21.006 4.254 8.026 1.00 73.20 H new ATOM 0 HE3 LYS A 65 -19.711 5.151 8.793 1.00 73.20 H new ATOM 0 HZ1 LYS A 65 -19.952 4.675 6.143 1.00 35.04 H new ATOM 0 HZ2 LYS A 65 -18.530 5.167 6.932 1.00 35.04 H new ATOM 0 HZ3 LYS A 65 -18.798 3.521 6.614 1.00 35.04 H new ATOM 952 N GLY A 66 -23.051 -0.381 9.766 1.00 31.51 N ATOM 953 CA GLY A 66 -24.467 -0.496 10.011 1.00 23.05 C ATOM 954 C GLY A 66 -25.229 -0.381 8.723 1.00 73.03 C ATOM 955 O GLY A 66 -26.359 -0.856 8.598 1.00 32.30 O ATOM 0 H GLY A 66 -22.750 -0.752 8.865 1.00 31.51 H new ATOM 0 HA2 GLY A 66 -24.684 -1.453 10.486 1.00 23.05 H new ATOM 0 HA3 GLY A 66 -24.788 0.283 10.702 1.00 23.05 H new ATOM 959 N GLU A 67 -24.600 0.253 7.770 1.00 65.33 N ATOM 960 CA GLU A 67 -25.158 0.463 6.450 1.00 11.53 C ATOM 961 C GLU A 67 -24.956 -0.794 5.606 1.00 14.42 C ATOM 962 O GLU A 67 -24.319 -1.762 6.037 1.00 54.32 O ATOM 963 CB GLU A 67 -24.444 1.628 5.702 1.00 60.55 C ATOM 964 CG GLU A 67 -24.075 2.864 6.521 1.00 3.51 C ATOM 965 CD GLU A 67 -22.941 2.589 7.482 1.00 54.34 C ATOM 966 OE1 GLU A 67 -21.879 2.094 7.040 1.00 12.21 O ATOM 967 OE2 GLU A 67 -23.114 2.763 8.671 1.00 71.41 O ATOM 0 H GLU A 67 -23.667 0.648 7.886 1.00 65.33 H new ATOM 0 HA GLU A 67 -26.214 0.701 6.581 1.00 11.53 H new ATOM 0 HB2 GLU A 67 -23.531 1.233 5.257 1.00 60.55 H new ATOM 0 HB3 GLU A 67 -25.087 1.947 4.882 1.00 60.55 H new ATOM 0 HG2 GLU A 67 -23.792 3.673 5.848 1.00 3.51 H new ATOM 0 HG3 GLU A 67 -24.948 3.204 7.078 1.00 3.51 H new ATOM 974 N ASN A 68 -25.466 -0.757 4.409 1.00 11.11 N ATOM 975 CA ASN A 68 -25.249 -1.801 3.444 1.00 73.12 C ATOM 976 C ASN A 68 -24.876 -1.121 2.169 1.00 32.11 C ATOM 977 O ASN A 68 -25.624 -0.264 1.695 1.00 60.52 O ATOM 978 CB ASN A 68 -26.503 -2.672 3.223 1.00 2.30 C ATOM 979 CG ASN A 68 -26.245 -3.847 2.264 1.00 42.13 C ATOM 980 OD1 ASN A 68 -25.852 -4.934 2.696 1.00 15.35 O ATOM 981 ND2 ASN A 68 -26.459 -3.643 0.981 1.00 12.51 N ATOM 0 H ASN A 68 -26.051 0.007 4.070 1.00 11.11 H new ATOM 0 HA ASN A 68 -24.470 -2.475 3.801 1.00 73.12 H new ATOM 0 HB2 ASN A 68 -26.846 -3.059 4.183 1.00 2.30 H new ATOM 0 HB3 ASN A 68 -27.306 -2.052 2.824 1.00 2.30 H new ATOM 0 HD21 ASN A 68 -26.300 -4.396 0.311 1.00 12.51 H new ATOM 0 HD22 ASN A 68 -26.784 -2.732 0.657 1.00 12.51 H new ATOM 988 N GLY A 69 -23.719 -1.423 1.662 1.00 52.22 N ATOM 989 CA GLY A 69 -23.297 -0.816 0.456 1.00 43.45 C ATOM 990 C GLY A 69 -22.178 0.131 0.698 1.00 22.44 C ATOM 991 O GLY A 69 -22.041 0.712 1.773 1.00 51.14 O ATOM 0 H GLY A 69 -23.059 -2.085 2.070 1.00 52.22 H new ATOM 0 HA2 GLY A 69 -22.982 -1.584 -0.250 1.00 43.45 H new ATOM 0 HA3 GLY A 69 -24.133 -0.287 -0.001 1.00 43.45 H new ATOM 995 N VAL A 70 -21.386 0.288 -0.276 1.00 45.00 N ATOM 996 CA VAL A 70 -20.273 1.160 -0.212 1.00 54.14 C ATOM 997 C VAL A 70 -20.650 2.466 -0.793 1.00 60.21 C ATOM 998 O VAL A 70 -20.704 2.658 -2.016 1.00 20.14 O ATOM 999 CB VAL A 70 -19.019 0.610 -0.892 1.00 11.34 C ATOM 1000 CG1 VAL A 70 -18.032 0.125 0.133 1.00 22.25 C ATOM 1001 CG2 VAL A 70 -19.393 -0.516 -1.740 1.00 53.53 C ATOM 0 H VAL A 70 -21.487 -0.194 -1.169 1.00 45.00 H new ATOM 0 HA VAL A 70 -20.010 1.270 0.840 1.00 54.14 H new ATOM 0 HB VAL A 70 -18.564 1.406 -1.482 1.00 11.34 H new ATOM 0 HG11 VAL A 70 -17.146 -0.263 -0.370 1.00 22.25 H new ATOM 0 HG12 VAL A 70 -17.747 0.952 0.784 1.00 22.25 H new ATOM 0 HG13 VAL A 70 -18.486 -0.666 0.730 1.00 22.25 H new ATOM 0 HG21 VAL A 70 -18.504 -0.914 -2.229 1.00 53.53 H new ATOM 0 HG22 VAL A 70 -19.851 -1.294 -1.130 1.00 53.53 H new ATOM 0 HG23 VAL A 70 -20.104 -0.182 -2.496 1.00 53.53 H new ATOM 1011 N SER A 71 -20.957 3.315 0.091 1.00 3.24 N ATOM 1012 CA SER A 71 -21.338 4.636 -0.158 1.00 0.43 C ATOM 1013 C SER A 71 -20.086 5.499 -0.318 1.00 3.53 C ATOM 1014 O SER A 71 -18.959 4.988 -0.205 1.00 20.43 O ATOM 1015 CB SER A 71 -22.176 5.022 1.039 1.00 40.32 C ATOM 1016 OG SER A 71 -22.513 6.402 1.093 1.00 30.43 O ATOM 0 H SER A 71 -20.948 3.089 1.086 1.00 3.24 H new ATOM 0 HA SER A 71 -21.908 4.769 -1.077 1.00 0.43 H new ATOM 0 HB2 SER A 71 -23.094 4.435 1.030 1.00 40.32 H new ATOM 0 HB3 SER A 71 -21.636 4.755 1.948 1.00 40.32 H new ATOM 0 HG SER A 71 -22.110 6.806 1.889 1.00 30.43 H new ATOM 1022 N PHE A 72 -20.274 6.788 -0.553 1.00 42.32 N ATOM 1023 CA PHE A 72 -19.169 7.717 -0.751 1.00 2.03 C ATOM 1024 C PHE A 72 -18.308 7.778 0.495 1.00 1.44 C ATOM 1025 O PHE A 72 -17.090 7.907 0.421 1.00 72.14 O ATOM 1026 CB PHE A 72 -19.678 9.120 -1.107 1.00 52.32 C ATOM 1027 CG PHE A 72 -20.449 9.193 -2.399 1.00 22.31 C ATOM 1028 CD1 PHE A 72 -19.783 9.246 -3.615 1.00 14.45 C ATOM 1029 CD2 PHE A 72 -21.835 9.219 -2.399 1.00 14.54 C ATOM 1030 CE1 PHE A 72 -20.484 9.324 -4.803 1.00 75.33 C ATOM 1031 CE2 PHE A 72 -22.542 9.295 -3.585 1.00 4.45 C ATOM 1032 CZ PHE A 72 -21.866 9.348 -4.788 1.00 25.21 C ATOM 0 H PHE A 72 -21.196 7.221 -0.612 1.00 42.32 H new ATOM 0 HA PHE A 72 -18.569 7.353 -1.585 1.00 2.03 H new ATOM 0 HB2 PHE A 72 -20.314 9.479 -0.298 1.00 52.32 H new ATOM 0 HB3 PHE A 72 -18.826 9.798 -1.167 1.00 52.32 H new ATOM 0 HD1 PHE A 72 -18.703 9.226 -3.633 1.00 14.45 H new ATOM 0 HD2 PHE A 72 -22.369 9.179 -1.461 1.00 14.54 H new ATOM 0 HE1 PHE A 72 -19.953 9.366 -5.742 1.00 75.33 H new ATOM 0 HE2 PHE A 72 -23.622 9.313 -3.570 1.00 4.45 H new ATOM 0 HZ PHE A 72 -22.416 9.408 -5.715 1.00 25.21 H new ATOM 1042 N ASP A 73 -18.938 7.651 1.634 1.00 14.44 N ATOM 1043 CA ASP A 73 -18.228 7.654 2.880 1.00 40.54 C ATOM 1044 C ASP A 73 -17.603 6.281 3.118 1.00 51.22 C ATOM 1045 O ASP A 73 -16.415 6.195 3.345 1.00 71.22 O ATOM 1046 CB ASP A 73 -19.143 8.063 4.055 1.00 2.35 C ATOM 1047 CG ASP A 73 -20.244 7.068 4.312 1.00 12.25 C ATOM 1048 OD1 ASP A 73 -21.143 6.944 3.441 1.00 20.04 O ATOM 1049 OD2 ASP A 73 -20.157 6.339 5.334 1.00 5.24 O ATOM 0 H ASP A 73 -19.949 7.544 1.721 1.00 14.44 H new ATOM 0 HA ASP A 73 -17.434 8.399 2.824 1.00 40.54 H new ATOM 0 HB2 ASP A 73 -18.541 8.173 4.957 1.00 2.35 H new ATOM 0 HB3 ASP A 73 -19.583 9.038 3.845 1.00 2.35 H new ATOM 1054 N ASN A 74 -18.405 5.212 2.989 1.00 15.33 N ATOM 1055 CA ASN A 74 -17.959 3.825 3.244 1.00 11.31 C ATOM 1056 C ASN A 74 -16.802 3.414 2.377 1.00 72.01 C ATOM 1057 O ASN A 74 -15.787 2.939 2.870 1.00 42.03 O ATOM 1058 CB ASN A 74 -19.076 2.802 3.018 1.00 61.35 C ATOM 1059 CG ASN A 74 -20.240 2.920 3.948 1.00 13.05 C ATOM 1060 OD1 ASN A 74 -21.197 3.584 3.651 1.00 45.40 O ATOM 1061 ND2 ASN A 74 -20.157 2.277 5.079 1.00 54.22 N ATOM 0 H ASN A 74 -19.382 5.281 2.705 1.00 15.33 H new ATOM 0 HA ASN A 74 -17.654 3.829 4.291 1.00 11.31 H new ATOM 0 HB2 ASN A 74 -19.437 2.901 1.994 1.00 61.35 H new ATOM 0 HB3 ASN A 74 -18.655 1.801 3.112 1.00 61.35 H new ATOM 0 HD21 ASN A 74 -20.923 2.326 5.751 1.00 54.22 H new ATOM 0 HD22 ASN A 74 -19.326 1.725 5.292 1.00 54.22 H new ATOM 1068 N TYR A 75 -16.955 3.585 1.085 1.00 63.53 N ATOM 1069 CA TYR A 75 -15.960 3.135 0.143 1.00 72.41 C ATOM 1070 C TYR A 75 -14.674 3.912 0.365 1.00 4.33 C ATOM 1071 O TYR A 75 -13.609 3.325 0.622 1.00 2.45 O ATOM 1072 CB TYR A 75 -16.489 3.295 -1.302 1.00 21.21 C ATOM 1073 CG TYR A 75 -15.639 2.671 -2.395 1.00 53.10 C ATOM 1074 CD1 TYR A 75 -14.343 3.084 -2.622 1.00 70.30 C ATOM 1075 CD2 TYR A 75 -16.147 1.670 -3.198 1.00 61.12 C ATOM 1076 CE1 TYR A 75 -13.577 2.532 -3.608 1.00 21.11 C ATOM 1077 CE2 TYR A 75 -15.383 1.107 -4.194 1.00 22.11 C ATOM 1078 CZ TYR A 75 -14.099 1.540 -4.397 1.00 2.51 C ATOM 1079 OH TYR A 75 -13.335 0.978 -5.388 1.00 73.45 O ATOM 0 H TYR A 75 -17.766 4.036 0.661 1.00 63.53 H new ATOM 0 HA TYR A 75 -15.749 2.077 0.297 1.00 72.41 H new ATOM 0 HB2 TYR A 75 -17.487 2.860 -1.353 1.00 21.21 H new ATOM 0 HB3 TYR A 75 -16.594 4.359 -1.514 1.00 21.21 H new ATOM 0 HD1 TYR A 75 -13.923 3.864 -2.004 1.00 70.30 H new ATOM 0 HD2 TYR A 75 -17.158 1.324 -3.042 1.00 61.12 H new ATOM 0 HE1 TYR A 75 -12.565 2.875 -3.766 1.00 21.11 H new ATOM 0 HE2 TYR A 75 -15.795 0.325 -4.815 1.00 22.11 H new ATOM 0 HH TYR A 75 -13.856 0.290 -5.852 1.00 73.45 H new ATOM 1089 N VAL A 76 -14.780 5.226 0.351 1.00 3.03 N ATOM 1090 CA VAL A 76 -13.619 6.064 0.515 1.00 15.33 C ATOM 1091 C VAL A 76 -12.986 5.869 1.882 1.00 3.31 C ATOM 1092 O VAL A 76 -11.769 6.017 2.024 1.00 62.43 O ATOM 1093 CB VAL A 76 -13.915 7.542 0.242 1.00 53.52 C ATOM 1094 CG1 VAL A 76 -12.686 8.375 0.452 1.00 53.11 C ATOM 1095 CG2 VAL A 76 -14.389 7.707 -1.170 1.00 3.51 C ATOM 0 H VAL A 76 -15.658 5.731 0.228 1.00 3.03 H new ATOM 0 HA VAL A 76 -12.898 5.748 -0.238 1.00 15.33 H new ATOM 0 HB VAL A 76 -14.688 7.874 0.935 1.00 53.52 H new ATOM 0 HG11 VAL A 76 -12.917 9.421 0.253 1.00 53.11 H new ATOM 0 HG12 VAL A 76 -12.346 8.268 1.482 1.00 53.11 H new ATOM 0 HG13 VAL A 76 -11.900 8.042 -0.226 1.00 53.11 H new ATOM 0 HG21 VAL A 76 -14.599 8.759 -1.363 1.00 3.51 H new ATOM 0 HG22 VAL A 76 -13.616 7.360 -1.856 1.00 3.51 H new ATOM 0 HG23 VAL A 76 -15.297 7.122 -1.320 1.00 3.51 H new ATOM 1105 N GLN A 77 -13.804 5.542 2.876 1.00 73.34 N ATOM 1106 CA GLN A 77 -13.310 5.158 4.186 1.00 52.01 C ATOM 1107 C GLN A 77 -12.388 3.986 4.007 1.00 74.33 C ATOM 1108 O GLN A 77 -11.260 4.075 4.372 1.00 0.00 O ATOM 1109 CB GLN A 77 -14.450 4.750 5.133 1.00 72.21 C ATOM 1110 CG GLN A 77 -13.984 4.177 6.467 1.00 22.34 C ATOM 1111 CD GLN A 77 -15.091 3.463 7.230 1.00 42.45 C ATOM 1112 OE1 GLN A 77 -16.295 3.824 7.132 1.00 53.20 O ATOM 1113 NE2 GLN A 77 -14.711 2.443 7.965 1.00 73.14 N ATOM 0 H GLN A 77 -14.821 5.537 2.794 1.00 73.34 H new ATOM 0 HA GLN A 77 -12.798 6.012 4.629 1.00 52.01 H new ATOM 0 HB2 GLN A 77 -15.077 5.621 5.324 1.00 72.21 H new ATOM 0 HB3 GLN A 77 -15.075 4.011 4.632 1.00 72.21 H new ATOM 0 HG2 GLN A 77 -13.165 3.480 6.290 1.00 22.34 H new ATOM 0 HG3 GLN A 77 -13.588 4.984 7.084 1.00 22.34 H new ATOM 0 HE21 GLN A 77 -13.724 2.189 8.013 1.00 73.14 H new ATOM 0 HE22 GLN A 77 -15.402 1.905 8.488 1.00 73.14 H new ATOM 1122 N TYR A 78 -12.860 2.963 3.283 1.00 52.10 N ATOM 1123 CA TYR A 78 -12.125 1.717 3.109 1.00 42.43 C ATOM 1124 C TYR A 78 -10.797 1.980 2.428 1.00 31.14 C ATOM 1125 O TYR A 78 -9.789 1.386 2.766 1.00 54.44 O ATOM 1126 CB TYR A 78 -12.982 0.704 2.312 1.00 52.34 C ATOM 1127 CG TYR A 78 -12.241 -0.525 1.817 1.00 53.23 C ATOM 1128 CD1 TYR A 78 -11.831 -1.528 2.685 1.00 42.02 C ATOM 1129 CD2 TYR A 78 -11.942 -0.664 0.469 1.00 63.43 C ATOM 1130 CE1 TYR A 78 -11.144 -2.635 2.216 1.00 32.11 C ATOM 1131 CE2 TYR A 78 -11.258 -1.761 -0.004 1.00 74.42 C ATOM 1132 CZ TYR A 78 -10.862 -2.745 0.866 1.00 14.20 C ATOM 1133 OH TYR A 78 -10.165 -3.835 0.388 1.00 42.42 O ATOM 0 H TYR A 78 -13.761 2.982 2.805 1.00 52.10 H new ATOM 0 HA TYR A 78 -11.915 1.284 4.087 1.00 42.43 H new ATOM 0 HB2 TYR A 78 -13.810 0.379 2.942 1.00 52.34 H new ATOM 0 HB3 TYR A 78 -13.416 1.217 1.454 1.00 52.34 H new ATOM 0 HD1 TYR A 78 -12.051 -1.444 3.739 1.00 42.02 H new ATOM 0 HD2 TYR A 78 -12.252 0.105 -0.223 1.00 63.43 H new ATOM 0 HE1 TYR A 78 -10.830 -3.409 2.901 1.00 32.11 H new ATOM 0 HE2 TYR A 78 -11.034 -1.847 -1.057 1.00 74.42 H new ATOM 0 HH TYR A 78 -10.055 -3.753 -0.582 1.00 42.42 H new ATOM 1143 N MET A 79 -10.798 2.897 1.495 1.00 52.32 N ATOM 1144 CA MET A 79 -9.570 3.242 0.808 1.00 20.11 C ATOM 1145 C MET A 79 -8.631 4.086 1.682 1.00 4.04 C ATOM 1146 O MET A 79 -7.440 3.780 1.782 1.00 40.32 O ATOM 1147 CB MET A 79 -9.835 3.884 -0.554 1.00 61.42 C ATOM 1148 CG MET A 79 -10.503 2.964 -1.522 1.00 73.05 C ATOM 1149 SD MET A 79 -9.596 1.449 -1.783 1.00 32.51 S ATOM 1150 CE MET A 79 -10.759 0.635 -2.841 1.00 5.25 C ATOM 0 H MET A 79 -11.623 3.416 1.193 1.00 52.32 H new ATOM 0 HA MET A 79 -9.046 2.306 0.613 1.00 20.11 H new ATOM 0 HB2 MET A 79 -10.457 4.768 -0.416 1.00 61.42 H new ATOM 0 HB3 MET A 79 -8.890 4.222 -0.978 1.00 61.42 H new ATOM 0 HG2 MET A 79 -11.502 2.725 -1.157 1.00 73.05 H new ATOM 0 HG3 MET A 79 -10.626 3.476 -2.476 1.00 73.05 H new ATOM 0 HE1 MET A 79 -10.349 -0.322 -3.164 1.00 5.25 H new ATOM 0 HE2 MET A 79 -11.689 0.467 -2.298 1.00 5.25 H new ATOM 0 HE3 MET A 79 -10.956 1.258 -3.713 1.00 5.25 H new ATOM 1160 N LYS A 80 -9.169 5.096 2.381 1.00 2.23 N ATOM 1161 CA LYS A 80 -8.315 5.943 3.235 1.00 11.21 C ATOM 1162 C LYS A 80 -7.847 5.157 4.471 1.00 63.43 C ATOM 1163 O LYS A 80 -6.834 5.465 5.072 1.00 32.11 O ATOM 1164 CB LYS A 80 -8.988 7.297 3.650 1.00 33.34 C ATOM 1165 CG LYS A 80 -10.271 7.179 4.467 1.00 35.24 C ATOM 1166 CD LYS A 80 -10.589 8.459 5.258 1.00 23.24 C ATOM 1167 CE LYS A 80 -10.571 9.731 4.407 1.00 42.03 C ATOM 1168 NZ LYS A 80 -11.502 9.687 3.266 1.00 54.24 N ATOM 0 H LYS A 80 -10.158 5.344 2.376 1.00 2.23 H new ATOM 0 HA LYS A 80 -7.449 6.216 2.632 1.00 11.21 H new ATOM 0 HB2 LYS A 80 -8.267 7.878 4.224 1.00 33.34 H new ATOM 0 HB3 LYS A 80 -9.207 7.864 2.745 1.00 33.34 H new ATOM 0 HG2 LYS A 80 -11.103 6.953 3.800 1.00 35.24 H new ATOM 0 HG3 LYS A 80 -10.181 6.342 5.159 1.00 35.24 H new ATOM 0 HD2 LYS A 80 -11.571 8.355 5.719 1.00 23.24 H new ATOM 0 HD3 LYS A 80 -9.866 8.564 6.067 1.00 23.24 H new ATOM 0 HE2 LYS A 80 -10.821 10.584 5.037 1.00 42.03 H new ATOM 0 HE3 LYS A 80 -9.560 9.896 4.035 1.00 42.03 H new ATOM 0 HZ1 LYS A 80 -11.984 10.604 3.176 1.00 54.24 H new ATOM 0 HZ2 LYS A 80 -10.973 9.487 2.393 1.00 54.24 H new ATOM 0 HZ3 LYS A 80 -12.207 8.939 3.422 1.00 54.24 H new ATOM 1182 N GLU A 81 -8.609 4.145 4.809 1.00 34.45 N ATOM 1183 CA GLU A 81 -8.328 3.230 5.899 1.00 63.13 C ATOM 1184 C GLU A 81 -7.254 2.251 5.425 1.00 25.44 C ATOM 1185 O GLU A 81 -6.333 1.918 6.148 1.00 72.42 O ATOM 1186 CB GLU A 81 -9.635 2.507 6.218 1.00 45.12 C ATOM 1187 CG GLU A 81 -9.683 1.641 7.438 1.00 23.03 C ATOM 1188 CD GLU A 81 -11.079 1.086 7.620 1.00 35.40 C ATOM 1189 OE1 GLU A 81 -11.948 1.793 8.197 1.00 11.23 O ATOM 1190 OE2 GLU A 81 -11.337 -0.051 7.180 1.00 73.23 O ATOM 0 H GLU A 81 -9.475 3.924 4.317 1.00 34.45 H new ATOM 0 HA GLU A 81 -7.964 3.737 6.793 1.00 63.13 H new ATOM 0 HB2 GLU A 81 -10.418 3.260 6.313 1.00 45.12 H new ATOM 0 HB3 GLU A 81 -9.891 1.887 5.359 1.00 45.12 H new ATOM 0 HG2 GLU A 81 -8.967 0.825 7.344 1.00 23.03 H new ATOM 0 HG3 GLU A 81 -9.394 2.218 8.316 1.00 23.03 H new ATOM 1197 N LYS A 82 -7.360 1.846 4.161 1.00 23.24 N ATOM 1198 CA LYS A 82 -6.390 0.954 3.535 1.00 1.31 C ATOM 1199 C LYS A 82 -5.058 1.701 3.379 1.00 21.31 C ATOM 1200 O LYS A 82 -4.011 1.099 3.278 1.00 24.44 O ATOM 1201 CB LYS A 82 -6.904 0.511 2.152 1.00 4.14 C ATOM 1202 CG LYS A 82 -6.253 -0.742 1.559 1.00 22.11 C ATOM 1203 CD LYS A 82 -6.630 -1.991 2.358 1.00 32.20 C ATOM 1204 CE LYS A 82 -6.224 -3.281 1.641 1.00 51.21 C ATOM 1205 NZ LYS A 82 -4.764 -3.438 1.501 1.00 5.31 N ATOM 0 H LYS A 82 -8.121 2.128 3.543 1.00 23.24 H new ATOM 0 HA LYS A 82 -6.247 0.070 4.157 1.00 1.31 H new ATOM 0 HB2 LYS A 82 -7.978 0.338 2.225 1.00 4.14 H new ATOM 0 HB3 LYS A 82 -6.761 1.335 1.453 1.00 4.14 H new ATOM 0 HG2 LYS A 82 -6.566 -0.862 0.522 1.00 22.11 H new ATOM 0 HG3 LYS A 82 -5.169 -0.624 1.553 1.00 22.11 H new ATOM 0 HD2 LYS A 82 -6.149 -1.954 3.335 1.00 32.20 H new ATOM 0 HD3 LYS A 82 -7.706 -1.998 2.532 1.00 32.20 H new ATOM 0 HE2 LYS A 82 -6.623 -4.134 2.190 1.00 51.21 H new ATOM 0 HE3 LYS A 82 -6.680 -3.297 0.651 1.00 51.21 H new ATOM 0 HZ1 LYS A 82 -4.556 -4.330 1.008 1.00 5.31 H new ATOM 0 HZ2 LYS A 82 -4.380 -2.642 0.953 1.00 5.31 H new ATOM 0 HZ3 LYS A 82 -4.325 -3.453 2.443 1.00 5.31 H new ATOM 1219 N ASN A 83 -5.130 3.028 3.332 1.00 2.33 N ATOM 1220 CA ASN A 83 -3.929 3.883 3.273 1.00 20.45 C ATOM 1221 C ASN A 83 -3.054 3.765 4.532 1.00 43.02 C ATOM 1222 O ASN A 83 -1.863 4.042 4.470 1.00 35.34 O ATOM 1223 CB ASN A 83 -4.278 5.365 3.023 1.00 51.40 C ATOM 1224 CG ASN A 83 -4.873 5.656 1.645 1.00 5.44 C ATOM 1225 OD1 ASN A 83 -5.683 6.562 1.490 1.00 33.33 O ATOM 1226 ND2 ASN A 83 -4.464 4.917 0.634 1.00 4.54 N ATOM 0 H ASN A 83 -6.009 3.545 3.333 1.00 2.33 H new ATOM 0 HA ASN A 83 -3.355 3.512 2.424 1.00 20.45 H new ATOM 0 HB2 ASN A 83 -4.985 5.692 3.786 1.00 51.40 H new ATOM 0 HB3 ASN A 83 -3.375 5.963 3.148 1.00 51.40 H new ATOM 0 HD21 ASN A 83 -4.823 5.093 -0.304 1.00 4.54 H new ATOM 0 HD22 ASN A 83 -3.789 4.169 0.790 1.00 4.54 H new ATOM 1345 N LEU A 92 12.960 2.245 5.514 1.00 31.32 N ATOM 1346 CA LEU A 92 14.264 2.590 4.924 1.00 31.42 C ATOM 1347 C LEU A 92 15.369 1.889 5.705 1.00 52.51 C ATOM 1348 O LEU A 92 16.299 1.361 5.133 1.00 71.23 O ATOM 1349 CB LEU A 92 14.439 4.147 4.972 1.00 65.14 C ATOM 1350 CG LEU A 92 15.662 4.824 4.272 1.00 13.31 C ATOM 1351 CD1 LEU A 92 15.453 6.329 4.247 1.00 14.24 C ATOM 1352 CD2 LEU A 92 16.983 4.537 4.985 1.00 54.12 C ATOM 0 HA LEU A 92 14.318 2.261 3.886 1.00 31.42 H new ATOM 0 HB2 LEU A 92 13.538 4.587 4.544 1.00 65.14 H new ATOM 0 HB3 LEU A 92 14.467 4.437 6.022 1.00 65.14 H new ATOM 0 HG LEU A 92 15.724 4.410 3.266 1.00 13.31 H new ATOM 0 HD11 LEU A 92 16.303 6.806 3.760 1.00 14.24 H new ATOM 0 HD12 LEU A 92 14.542 6.561 3.696 1.00 14.24 H new ATOM 0 HD13 LEU A 92 15.364 6.701 5.268 1.00 14.24 H new ATOM 0 HD21 LEU A 92 17.797 5.032 4.455 1.00 54.12 H new ATOM 0 HD22 LEU A 92 16.934 4.912 6.007 1.00 54.12 H new ATOM 0 HD23 LEU A 92 17.161 3.462 5.002 1.00 54.12 H new ATOM 1364 N ASN A 93 15.188 1.825 7.003 1.00 31.14 N ATOM 1365 CA ASN A 93 16.188 1.277 7.899 1.00 62.11 C ATOM 1366 C ASN A 93 16.071 -0.229 7.987 1.00 23.24 C ATOM 1367 O ASN A 93 17.038 -0.912 8.289 1.00 3.23 O ATOM 1368 CB ASN A 93 16.052 1.895 9.308 1.00 61.24 C ATOM 1369 CG ASN A 93 16.275 3.399 9.328 1.00 53.34 C ATOM 1370 OD1 ASN A 93 17.397 3.878 9.435 1.00 63.32 O ATOM 1371 ND2 ASN A 93 15.200 4.159 9.265 1.00 34.43 N ATOM 0 H ASN A 93 14.343 2.151 7.472 1.00 31.14 H new ATOM 0 HA ASN A 93 17.169 1.526 7.494 1.00 62.11 H new ATOM 0 HB2 ASN A 93 15.058 1.677 9.699 1.00 61.24 H new ATOM 0 HB3 ASN A 93 16.769 1.419 9.977 1.00 61.24 H new ATOM 0 HD21 ASN A 93 15.290 5.174 9.305 1.00 34.43 H new ATOM 0 HD22 ASN A 93 14.278 3.732 9.176 1.00 34.43 H new ATOM 1378 N GLU A 94 14.906 -0.745 7.660 1.00 33.41 N ATOM 1379 CA GLU A 94 14.646 -2.159 7.815 1.00 1.21 C ATOM 1380 C GLU A 94 15.151 -2.927 6.613 1.00 75.34 C ATOM 1381 O GLU A 94 15.830 -3.910 6.756 1.00 45.31 O ATOM 1382 CB GLU A 94 13.143 -2.408 8.037 1.00 61.50 C ATOM 1383 CG GLU A 94 12.758 -3.879 8.196 1.00 14.22 C ATOM 1384 CD GLU A 94 13.496 -4.564 9.333 1.00 30.51 C ATOM 1385 OE1 GLU A 94 13.082 -4.398 10.490 1.00 3.32 O ATOM 1386 OE2 GLU A 94 14.491 -5.279 9.055 1.00 62.12 O ATOM 0 H GLU A 94 14.125 -0.207 7.285 1.00 33.41 H new ATOM 0 HA GLU A 94 15.183 -2.517 8.694 1.00 1.21 H new ATOM 0 HB2 GLU A 94 12.826 -1.865 8.927 1.00 61.50 H new ATOM 0 HB3 GLU A 94 12.591 -1.990 7.195 1.00 61.50 H new ATOM 0 HG2 GLU A 94 11.685 -3.951 8.371 1.00 14.22 H new ATOM 0 HG3 GLU A 94 12.966 -4.406 7.265 1.00 14.22 H new ATOM 1393 N ILE A 95 14.892 -2.398 5.418 1.00 51.41 N ATOM 1394 CA ILE A 95 15.204 -3.095 4.158 1.00 73.03 C ATOM 1395 C ILE A 95 16.695 -3.571 4.080 1.00 30.03 C ATOM 1396 O ILE A 95 17.007 -4.604 3.449 1.00 60.14 O ATOM 1397 CB ILE A 95 14.807 -2.228 2.912 1.00 51.13 C ATOM 1398 CG1 ILE A 95 14.845 -3.049 1.615 1.00 44.54 C ATOM 1399 CG2 ILE A 95 15.690 -0.992 2.782 1.00 24.45 C ATOM 1400 CD1 ILE A 95 13.845 -4.188 1.569 1.00 34.11 C ATOM 0 H ILE A 95 14.463 -1.481 5.289 1.00 51.41 H new ATOM 0 HA ILE A 95 14.595 -3.999 4.144 1.00 73.03 H new ATOM 0 HB ILE A 95 13.781 -1.897 3.075 1.00 51.13 H new ATOM 0 HG12 ILE A 95 14.659 -2.384 0.772 1.00 44.54 H new ATOM 0 HG13 ILE A 95 15.848 -3.456 1.485 1.00 44.54 H new ATOM 0 HG21 ILE A 95 15.385 -0.417 1.908 1.00 24.45 H new ATOM 0 HG22 ILE A 95 15.588 -0.376 3.675 1.00 24.45 H new ATOM 0 HG23 ILE A 95 16.730 -1.298 2.670 1.00 24.45 H new ATOM 0 HD11 ILE A 95 13.938 -4.716 0.620 1.00 34.11 H new ATOM 0 HD12 ILE A 95 14.042 -4.878 2.389 1.00 34.11 H new ATOM 0 HD13 ILE A 95 12.835 -3.789 1.665 1.00 34.11 H new ATOM 1412 N PHE A 96 17.588 -2.869 4.798 1.00 12.41 N ATOM 1413 CA PHE A 96 19.005 -3.225 4.852 1.00 72.44 C ATOM 1414 C PHE A 96 19.219 -4.652 5.361 1.00 12.24 C ATOM 1415 O PHE A 96 20.175 -5.307 4.944 1.00 14.33 O ATOM 1416 CB PHE A 96 19.820 -2.253 5.716 1.00 11.01 C ATOM 1417 CG PHE A 96 19.991 -0.877 5.140 1.00 0.13 C ATOM 1418 CD1 PHE A 96 20.881 -0.657 4.100 1.00 54.40 C ATOM 1419 CD2 PHE A 96 19.284 0.195 5.644 1.00 35.22 C ATOM 1420 CE1 PHE A 96 21.054 0.608 3.575 1.00 1.01 C ATOM 1421 CE2 PHE A 96 19.455 1.462 5.126 1.00 42.24 C ATOM 1422 CZ PHE A 96 20.340 1.669 4.090 1.00 0.23 C ATOM 0 H PHE A 96 17.345 -2.047 5.351 1.00 12.41 H new ATOM 0 HA PHE A 96 19.362 -3.158 3.824 1.00 72.44 H new ATOM 0 HB2 PHE A 96 19.338 -2.165 6.689 1.00 11.01 H new ATOM 0 HB3 PHE A 96 20.807 -2.683 5.887 1.00 11.01 H new ATOM 0 HD1 PHE A 96 21.445 -1.485 3.696 1.00 54.40 H new ATOM 0 HD2 PHE A 96 18.587 0.040 6.455 1.00 35.22 H new ATOM 0 HE1 PHE A 96 21.747 0.766 2.762 1.00 1.01 H new ATOM 0 HE2 PHE A 96 18.895 2.292 5.532 1.00 42.24 H new ATOM 0 HZ PHE A 96 20.474 2.660 3.682 1.00 0.23 H new ATOM 1432 N SER A 97 18.307 -5.142 6.211 1.00 61.14 N ATOM 1433 CA SER A 97 18.417 -6.476 6.784 1.00 61.32 C ATOM 1434 C SER A 97 18.234 -7.530 5.700 1.00 35.42 C ATOM 1435 O SER A 97 18.765 -8.628 5.790 1.00 73.32 O ATOM 1436 CB SER A 97 17.356 -6.673 7.881 1.00 41.13 C ATOM 1437 OG SER A 97 16.049 -6.564 7.340 1.00 3.20 O ATOM 0 H SER A 97 17.482 -4.625 6.514 1.00 61.14 H new ATOM 0 HA SER A 97 19.409 -6.584 7.224 1.00 61.32 H new ATOM 0 HB2 SER A 97 17.483 -7.651 8.345 1.00 41.13 H new ATOM 0 HB3 SER A 97 17.494 -5.928 8.665 1.00 41.13 H new ATOM 0 HG SER A 97 15.424 -6.298 8.046 1.00 3.20 H new ATOM 1443 N THR A 98 17.488 -7.176 4.674 1.00 31.53 N ATOM 1444 CA THR A 98 17.209 -8.081 3.604 1.00 24.51 C ATOM 1445 C THR A 98 18.277 -7.948 2.507 1.00 75.23 C ATOM 1446 O THR A 98 18.695 -8.930 1.903 1.00 20.44 O ATOM 1447 CB THR A 98 15.818 -7.764 3.022 1.00 21.24 C ATOM 1448 OG1 THR A 98 14.874 -7.650 4.103 1.00 51.14 O ATOM 1449 CG2 THR A 98 15.354 -8.863 2.071 1.00 61.51 C ATOM 0 H THR A 98 17.064 -6.254 4.568 1.00 31.53 H new ATOM 0 HA THR A 98 17.223 -9.103 3.982 1.00 24.51 H new ATOM 0 HB THR A 98 15.881 -6.829 2.465 1.00 21.24 H new ATOM 0 HG1 THR A 98 13.986 -7.447 3.742 1.00 51.14 H new ATOM 0 HG21 THR A 98 14.370 -8.611 1.676 1.00 61.51 H new ATOM 0 HG22 THR A 98 16.062 -8.955 1.248 1.00 61.51 H new ATOM 0 HG23 THR A 98 15.298 -9.810 2.609 1.00 61.51 H new ATOM 1457 N ILE A 99 18.729 -6.727 2.279 1.00 35.34 N ATOM 1458 CA ILE A 99 19.661 -6.460 1.188 1.00 42.32 C ATOM 1459 C ILE A 99 21.116 -6.722 1.582 1.00 32.22 C ATOM 1460 O ILE A 99 21.740 -7.677 1.129 1.00 22.54 O ATOM 1461 CB ILE A 99 19.626 -4.992 0.769 1.00 51.43 C ATOM 1462 CG1 ILE A 99 18.214 -4.472 0.578 1.00 52.50 C ATOM 1463 CG2 ILE A 99 20.426 -4.808 -0.527 1.00 60.44 C ATOM 1464 CD1 ILE A 99 18.167 -2.979 0.309 1.00 13.43 C ATOM 0 H ILE A 99 18.470 -5.907 2.828 1.00 35.34 H new ATOM 0 HA ILE A 99 19.343 -7.126 0.386 1.00 42.32 H new ATOM 0 HB ILE A 99 20.074 -4.414 1.577 1.00 51.43 H new ATOM 0 HG12 ILE A 99 17.746 -5.001 -0.253 1.00 52.50 H new ATOM 0 HG13 ILE A 99 17.626 -4.694 1.469 1.00 52.50 H new ATOM 0 HG21 ILE A 99 20.400 -3.760 -0.825 1.00 60.44 H new ATOM 0 HG22 ILE A 99 21.459 -5.113 -0.363 1.00 60.44 H new ATOM 0 HG23 ILE A 99 19.988 -5.420 -1.315 1.00 60.44 H new ATOM 0 HD11 ILE A 99 17.131 -2.665 0.181 1.00 13.43 H new ATOM 0 HD12 ILE A 99 18.607 -2.444 1.150 1.00 13.43 H new ATOM 0 HD13 ILE A 99 18.729 -2.755 -0.598 1.00 13.43 H new ATOM 1476 N ALA A 100 21.622 -5.877 2.479 1.00 13.32 N ATOM 1477 CA ALA A 100 23.048 -5.783 2.812 1.00 62.51 C ATOM 1478 C ALA A 100 23.473 -6.838 3.810 1.00 24.11 C ATOM 1479 O ALA A 100 24.584 -6.809 4.333 1.00 73.32 O ATOM 1480 CB ALA A 100 23.333 -4.397 3.349 1.00 21.43 C ATOM 0 H ALA A 100 21.043 -5.224 3.007 1.00 13.32 H new ATOM 0 HA ALA A 100 23.627 -5.961 1.906 1.00 62.51 H new ATOM 0 HB1 ALA A 100 24.390 -4.315 3.600 1.00 21.43 H new ATOM 0 HB2 ALA A 100 23.081 -3.655 2.592 1.00 21.43 H new ATOM 0 HB3 ALA A 100 22.733 -4.222 4.242 1.00 21.43 H new ATOM 1486 N ALA A 101 22.602 -7.773 4.008 1.00 52.44 N ATOM 1487 CA ALA A 101 22.765 -8.870 4.911 1.00 44.23 C ATOM 1488 C ALA A 101 24.045 -9.670 4.612 1.00 30.10 C ATOM 1489 O ALA A 101 24.204 -10.230 3.523 1.00 61.30 O ATOM 1490 CB ALA A 101 21.545 -9.740 4.782 1.00 52.31 C ATOM 0 H ALA A 101 21.708 -7.795 3.518 1.00 52.44 H new ATOM 0 HA ALA A 101 22.869 -8.499 5.931 1.00 44.23 H new ATOM 0 HB1 ALA A 101 21.632 -10.591 5.458 1.00 52.31 H new ATOM 0 HB2 ALA A 101 20.657 -9.162 5.039 1.00 52.31 H new ATOM 0 HB3 ALA A 101 21.461 -10.098 3.756 1.00 52.31 H new ATOM 1496 N GLY A 102 24.975 -9.648 5.556 1.00 23.10 N ATOM 1497 CA GLY A 102 26.210 -10.411 5.425 1.00 30.31 C ATOM 1498 C GLY A 102 27.345 -9.584 4.857 1.00 52.10 C ATOM 1499 O GLY A 102 28.479 -10.030 4.791 1.00 71.11 O ATOM 0 H GLY A 102 24.899 -9.111 6.420 1.00 23.10 H new ATOM 0 HA2 GLY A 102 26.500 -10.798 6.402 1.00 30.31 H new ATOM 0 HA3 GLY A 102 26.035 -11.272 4.781 1.00 30.31 H new ATOM 1503 N LYS A 103 27.025 -8.390 4.448 1.00 35.42 N ATOM 1504 CA LYS A 103 27.976 -7.473 3.863 1.00 11.14 C ATOM 1505 C LYS A 103 28.214 -6.317 4.819 1.00 12.44 C ATOM 1506 O LYS A 103 27.464 -6.150 5.772 1.00 24.43 O ATOM 1507 CB LYS A 103 27.416 -6.988 2.519 1.00 55.24 C ATOM 1508 CG LYS A 103 27.436 -8.072 1.437 1.00 74.01 C ATOM 1509 CD LYS A 103 26.429 -7.824 0.317 1.00 41.25 C ATOM 1510 CE LYS A 103 25.014 -8.123 0.789 1.00 14.03 C ATOM 1511 NZ LYS A 103 24.000 -7.917 -0.264 1.00 23.52 N ATOM 0 H LYS A 103 26.079 -8.014 4.511 1.00 35.42 H new ATOM 0 HA LYS A 103 28.934 -7.962 3.688 1.00 11.14 H new ATOM 0 HB2 LYS A 103 26.392 -6.643 2.661 1.00 55.24 H new ATOM 0 HB3 LYS A 103 27.996 -6.131 2.178 1.00 55.24 H new ATOM 0 HG2 LYS A 103 28.437 -8.131 1.010 1.00 74.01 H new ATOM 0 HG3 LYS A 103 27.228 -9.038 1.896 1.00 74.01 H new ATOM 0 HD2 LYS A 103 26.495 -6.788 -0.015 1.00 41.25 H new ATOM 0 HD3 LYS A 103 26.671 -8.450 -0.542 1.00 41.25 H new ATOM 0 HE2 LYS A 103 24.963 -9.154 1.138 1.00 14.03 H new ATOM 0 HE3 LYS A 103 24.779 -7.486 1.642 1.00 14.03 H new ATOM 0 HZ1 LYS A 103 23.063 -8.184 0.099 1.00 23.52 H new ATOM 0 HZ2 LYS A 103 23.990 -6.916 -0.545 1.00 23.52 H new ATOM 0 HZ3 LYS A 103 24.232 -8.506 -1.089 1.00 23.52 H new ATOM 1525 N ASP A 104 29.270 -5.565 4.611 1.00 40.02 N ATOM 1526 CA ASP A 104 29.540 -4.373 5.426 1.00 12.14 C ATOM 1527 C ASP A 104 29.142 -3.138 4.621 1.00 43.13 C ATOM 1528 O ASP A 104 28.719 -2.110 5.162 1.00 51.14 O ATOM 1529 CB ASP A 104 31.038 -4.282 5.784 1.00 41.23 C ATOM 1530 CG ASP A 104 31.892 -3.924 4.584 1.00 73.51 C ATOM 1531 OD1 ASP A 104 31.898 -4.692 3.610 1.00 30.30 O ATOM 1532 OD2 ASP A 104 32.473 -2.816 4.564 1.00 65.03 O ATOM 0 H ASP A 104 29.965 -5.747 3.887 1.00 40.02 H new ATOM 0 HA ASP A 104 28.967 -4.434 6.351 1.00 12.14 H new ATOM 0 HB2 ASP A 104 31.179 -3.534 6.564 1.00 41.23 H new ATOM 0 HB3 ASP A 104 31.371 -5.236 6.193 1.00 41.23 H new ATOM 1537 N SER A 105 29.266 -3.263 3.325 1.00 54.43 N ATOM 1538 CA SER A 105 28.963 -2.215 2.420 1.00 21.20 C ATOM 1539 C SER A 105 27.879 -2.658 1.464 1.00 10.24 C ATOM 1540 O SER A 105 27.861 -3.808 1.016 1.00 50.33 O ATOM 1541 CB SER A 105 30.217 -1.853 1.641 1.00 50.11 C ATOM 1542 OG SER A 105 31.263 -1.487 2.510 1.00 54.41 O ATOM 0 H SER A 105 29.588 -4.119 2.872 1.00 54.43 H new ATOM 0 HA SER A 105 28.611 -1.345 2.975 1.00 21.20 H new ATOM 0 HB2 SER A 105 30.527 -2.701 1.030 1.00 50.11 H new ATOM 0 HB3 SER A 105 30.001 -1.030 0.959 1.00 50.11 H new ATOM 0 HG SER A 105 32.059 -1.260 1.986 1.00 54.41 H new ATOM 1548 N ILE A 106 26.978 -1.772 1.179 1.00 35.13 N ATOM 1549 CA ILE A 106 25.930 -2.034 0.239 1.00 43.25 C ATOM 1550 C ILE A 106 26.210 -1.239 -1.050 1.00 34.33 C ATOM 1551 O ILE A 106 26.183 -0.029 -1.050 1.00 24.12 O ATOM 1552 CB ILE A 106 24.517 -1.720 0.864 1.00 32.23 C ATOM 1553 CG1 ILE A 106 23.421 -1.908 -0.142 1.00 31.42 C ATOM 1554 CG2 ILE A 106 24.428 -0.310 1.441 1.00 54.23 C ATOM 1555 CD1 ILE A 106 22.030 -1.784 0.451 1.00 54.20 C ATOM 0 H ILE A 106 26.947 -0.840 1.593 1.00 35.13 H new ATOM 0 HA ILE A 106 25.909 -3.094 -0.016 1.00 43.25 H new ATOM 0 HB ILE A 106 24.390 -2.430 1.681 1.00 32.23 H new ATOM 0 HG12 ILE A 106 23.536 -1.170 -0.936 1.00 31.42 H new ATOM 0 HG13 ILE A 106 23.525 -2.891 -0.602 1.00 31.42 H new ATOM 0 HG21 ILE A 106 23.434 -0.149 1.857 1.00 54.23 H new ATOM 0 HG22 ILE A 106 25.174 -0.191 2.227 1.00 54.23 H new ATOM 0 HG23 ILE A 106 24.613 0.419 0.652 1.00 54.23 H new ATOM 0 HD11 ILE A 106 21.286 -1.931 -0.332 1.00 54.20 H new ATOM 0 HD12 ILE A 106 21.896 -2.539 1.225 1.00 54.20 H new ATOM 0 HD13 ILE A 106 21.907 -0.792 0.886 1.00 54.20 H new ATOM 1567 N THR A 107 26.559 -1.926 -2.110 1.00 64.41 N ATOM 1568 CA THR A 107 26.911 -1.276 -3.372 1.00 51.02 C ATOM 1569 C THR A 107 25.654 -0.760 -4.058 1.00 14.23 C ATOM 1570 O THR A 107 24.562 -1.225 -3.731 1.00 22.14 O ATOM 1571 CB THR A 107 27.639 -2.286 -4.298 1.00 3.11 C ATOM 1572 OG1 THR A 107 26.831 -3.463 -4.464 1.00 63.24 O ATOM 1573 CG2 THR A 107 28.982 -2.699 -3.709 1.00 33.33 C ATOM 0 H THR A 107 26.610 -2.944 -2.134 1.00 64.41 H new ATOM 0 HA THR A 107 27.574 -0.436 -3.167 1.00 51.02 H new ATOM 0 HB THR A 107 27.805 -1.800 -5.259 1.00 3.11 H new ATOM 0 HG1 THR A 107 27.294 -4.097 -5.051 1.00 63.24 H new ATOM 0 HG21 THR A 107 29.471 -3.407 -4.378 1.00 33.33 H new ATOM 0 HG22 THR A 107 29.613 -1.818 -3.589 1.00 33.33 H new ATOM 0 HG23 THR A 107 28.825 -3.167 -2.737 1.00 33.33 H new ATOM 1581 N GLU A 108 25.787 0.189 -4.998 1.00 3.41 N ATOM 1582 CA GLU A 108 24.614 0.702 -5.748 1.00 24.34 C ATOM 1583 C GLU A 108 23.849 -0.456 -6.354 1.00 3.41 C ATOM 1584 O GLU A 108 22.649 -0.611 -6.148 1.00 72.51 O ATOM 1585 CB GLU A 108 25.036 1.606 -6.891 1.00 75.33 C ATOM 1586 CG GLU A 108 23.856 1.986 -7.773 1.00 21.52 C ATOM 1587 CD GLU A 108 22.930 3.003 -7.123 1.00 53.41 C ATOM 1588 OE1 GLU A 108 22.058 2.597 -6.353 1.00 11.45 O ATOM 1589 OE2 GLU A 108 23.056 4.221 -7.411 1.00 50.45 O ATOM 0 H GLU A 108 26.676 0.615 -5.259 1.00 3.41 H new ATOM 0 HA GLU A 108 24.000 1.262 -5.042 1.00 24.34 H new ATOM 0 HB2 GLU A 108 25.496 2.509 -6.490 1.00 75.33 H new ATOM 0 HB3 GLU A 108 25.793 1.103 -7.493 1.00 75.33 H new ATOM 0 HG2 GLU A 108 24.229 2.391 -8.714 1.00 21.52 H new ATOM 0 HG3 GLU A 108 23.287 1.088 -8.016 1.00 21.52 H new ATOM 1596 N THR A 109 24.568 -1.289 -7.066 1.00 1.00 N ATOM 1597 CA THR A 109 24.001 -2.424 -7.713 1.00 0.01 C ATOM 1598 C THR A 109 23.414 -3.423 -6.686 1.00 72.32 C ATOM 1599 O THR A 109 22.613 -4.292 -7.025 1.00 65.22 O ATOM 1600 CB THR A 109 25.042 -3.074 -8.630 1.00 60.31 C ATOM 1601 OG1 THR A 109 25.508 -2.085 -9.561 1.00 51.34 O ATOM 1602 CG2 THR A 109 24.477 -4.281 -9.393 1.00 33.21 C ATOM 0 H THR A 109 25.573 -1.188 -7.208 1.00 1.00 H new ATOM 0 HA THR A 109 23.166 -2.098 -8.333 1.00 0.01 H new ATOM 0 HB THR A 109 25.860 -3.444 -8.012 1.00 60.31 H new ATOM 0 HG1 THR A 109 26.177 -2.485 -10.155 1.00 51.34 H new ATOM 0 HG21 THR A 109 25.254 -4.706 -10.029 1.00 33.21 H new ATOM 0 HG22 THR A 109 24.138 -5.034 -8.682 1.00 33.21 H new ATOM 0 HG23 THR A 109 23.638 -3.961 -10.011 1.00 33.21 H new ATOM 1610 N ASP A 110 23.824 -3.339 -5.448 1.00 2.53 N ATOM 1611 CA ASP A 110 23.197 -4.154 -4.463 1.00 54.44 C ATOM 1612 C ASP A 110 21.899 -3.504 -3.998 1.00 52.22 C ATOM 1613 O ASP A 110 20.830 -4.125 -4.017 1.00 72.13 O ATOM 1614 CB ASP A 110 24.097 -4.489 -3.302 1.00 20.43 C ATOM 1615 CG ASP A 110 23.509 -5.604 -2.492 1.00 70.43 C ATOM 1616 OD1 ASP A 110 22.961 -6.579 -3.111 1.00 65.34 O ATOM 1617 OD2 ASP A 110 23.629 -5.578 -1.260 1.00 43.25 O ATOM 0 H ASP A 110 24.569 -2.730 -5.111 1.00 2.53 H new ATOM 0 HA ASP A 110 22.968 -5.109 -4.935 1.00 54.44 H new ATOM 0 HB2 ASP A 110 25.082 -4.777 -3.668 1.00 20.43 H new ATOM 0 HB3 ASP A 110 24.235 -3.608 -2.675 1.00 20.43 H new ATOM 1622 N MET A 111 22.012 -2.228 -3.719 1.00 14.41 N ATOM 1623 CA MET A 111 20.968 -1.389 -3.143 1.00 62.12 C ATOM 1624 C MET A 111 19.806 -1.110 -4.106 1.00 34.15 C ATOM 1625 O MET A 111 18.688 -1.544 -3.847 1.00 54.51 O ATOM 1626 CB MET A 111 21.596 -0.078 -2.705 1.00 42.41 C ATOM 1627 CG MET A 111 20.717 0.804 -1.852 1.00 10.31 C ATOM 1628 SD MET A 111 21.514 2.361 -1.449 1.00 74.13 S ATOM 1629 CE MET A 111 21.878 2.971 -3.089 1.00 15.04 C ATOM 0 H MET A 111 22.875 -1.713 -3.893 1.00 14.41 H new ATOM 0 HA MET A 111 20.540 -1.929 -2.299 1.00 62.12 H new ATOM 0 HB2 MET A 111 22.509 -0.298 -2.151 1.00 42.41 H new ATOM 0 HB3 MET A 111 21.890 0.480 -3.594 1.00 42.41 H new ATOM 0 HG2 MET A 111 19.782 1.001 -2.377 1.00 10.31 H new ATOM 0 HG3 MET A 111 20.461 0.279 -0.932 1.00 10.31 H new ATOM 0 HE1 MET A 111 21.642 4.034 -3.143 1.00 15.04 H new ATOM 0 HE2 MET A 111 22.936 2.823 -3.306 1.00 15.04 H new ATOM 0 HE3 MET A 111 21.279 2.429 -3.820 1.00 15.04 H new ATOM 1639 N GLN A 112 20.072 -0.407 -5.227 1.00 51.33 N ATOM 1640 CA GLN A 112 18.999 -0.014 -6.166 1.00 60.41 C ATOM 1641 C GLN A 112 18.298 -1.237 -6.701 1.00 54.11 C ATOM 1642 O GLN A 112 17.084 -1.241 -6.903 1.00 65.04 O ATOM 1643 CB GLN A 112 19.513 0.848 -7.334 1.00 24.51 C ATOM 1644 CG GLN A 112 20.433 0.150 -8.332 1.00 34.04 C ATOM 1645 CD GLN A 112 20.762 1.019 -9.531 1.00 74.32 C ATOM 1646 OE1 GLN A 112 20.841 2.309 -9.331 1.00 63.53 O flip ATOM 1647 NE2 GLN A 112 20.974 0.518 -10.627 1.00 65.03 N flip ATOM 0 H GLN A 112 21.006 -0.103 -5.502 1.00 51.33 H new ATOM 0 HA GLN A 112 18.296 0.598 -5.600 1.00 60.41 H new ATOM 0 HB2 GLN A 112 18.652 1.238 -7.877 1.00 24.51 H new ATOM 0 HB3 GLN A 112 20.044 1.705 -6.920 1.00 24.51 H new ATOM 0 HG2 GLN A 112 21.358 -0.135 -7.830 1.00 34.04 H new ATOM 0 HG3 GLN A 112 19.960 -0.770 -8.674 1.00 34.04 H new ATOM 0 HE21 GLN A 112 20.904 -0.492 -10.748 1.00 65.03 H new ATOM 0 HE22 GLN A 112 21.221 1.111 -11.419 1.00 65.03 H new ATOM 1656 N LYS A 113 19.091 -2.280 -6.905 1.00 32.15 N ATOM 1657 CA LYS A 113 18.594 -3.593 -7.352 1.00 61.11 C ATOM 1658 C LYS A 113 17.429 -4.106 -6.471 1.00 1.32 C ATOM 1659 O LYS A 113 16.511 -4.732 -6.963 1.00 35.41 O ATOM 1660 CB LYS A 113 19.734 -4.615 -7.325 1.00 53.53 C ATOM 1661 CG LYS A 113 19.390 -6.002 -7.867 1.00 52.32 C ATOM 1662 CD LYS A 113 20.562 -7.012 -7.789 1.00 21.00 C ATOM 1663 CE LYS A 113 20.920 -7.507 -6.359 1.00 14.05 C ATOM 1664 NZ LYS A 113 21.465 -6.451 -5.480 1.00 24.15 N ATOM 0 H LYS A 113 20.101 -2.249 -6.767 1.00 32.15 H new ATOM 0 HA LYS A 113 18.218 -3.470 -8.368 1.00 61.11 H new ATOM 0 HB2 LYS A 113 20.569 -4.216 -7.901 1.00 53.53 H new ATOM 0 HB3 LYS A 113 20.078 -4.722 -6.296 1.00 53.53 H new ATOM 0 HG2 LYS A 113 18.542 -6.400 -7.309 1.00 52.32 H new ATOM 0 HG3 LYS A 113 19.072 -5.908 -8.905 1.00 52.32 H new ATOM 0 HD2 LYS A 113 20.315 -7.878 -8.404 1.00 21.00 H new ATOM 0 HD3 LYS A 113 21.447 -6.551 -8.228 1.00 21.00 H new ATOM 0 HE2 LYS A 113 20.027 -7.927 -5.896 1.00 14.05 H new ATOM 0 HE3 LYS A 113 21.648 -8.314 -6.436 1.00 14.05 H new ATOM 0 HZ1 LYS A 113 22.135 -6.872 -4.805 1.00 24.15 H new ATOM 0 HZ2 LYS A 113 21.957 -5.739 -6.057 1.00 24.15 H new ATOM 0 HZ3 LYS A 113 20.688 -5.998 -4.959 1.00 24.15 H new ATOM 1678 N ALA A 114 17.445 -3.768 -5.189 1.00 31.33 N ATOM 1679 CA ALA A 114 16.455 -4.275 -4.229 1.00 61.13 C ATOM 1680 C ALA A 114 15.102 -3.542 -4.321 1.00 54.43 C ATOM 1681 O ALA A 114 14.319 -3.544 -3.372 1.00 1.34 O ATOM 1682 CB ALA A 114 17.014 -4.180 -2.828 1.00 34.35 C ATOM 0 H ALA A 114 18.137 -3.139 -4.780 1.00 31.33 H new ATOM 0 HA ALA A 114 16.259 -5.317 -4.481 1.00 61.13 H new ATOM 0 HB1 ALA A 114 16.279 -4.556 -2.117 1.00 34.35 H new ATOM 0 HB2 ALA A 114 17.924 -4.775 -2.758 1.00 34.35 H new ATOM 0 HB3 ALA A 114 17.243 -3.140 -2.597 1.00 34.35 H new ATOM 1688 N GLY A 115 14.829 -2.968 -5.478 1.00 33.53 N ATOM 1689 CA GLY A 115 13.573 -2.274 -5.708 1.00 42.41 C ATOM 1690 C GLY A 115 13.444 -0.975 -4.933 1.00 23.12 C ATOM 1691 O GLY A 115 12.337 -0.552 -4.586 1.00 22.51 O ATOM 0 H GLY A 115 15.463 -2.968 -6.277 1.00 33.53 H new ATOM 0 HA2 GLY A 115 13.474 -2.063 -6.773 1.00 42.41 H new ATOM 0 HA3 GLY A 115 12.749 -2.933 -5.436 1.00 42.41 H new ATOM 1695 N MET A 116 14.554 -0.338 -4.655 1.00 62.43 N ATOM 1696 CA MET A 116 14.519 0.916 -3.945 1.00 64.12 C ATOM 1697 C MET A 116 14.426 2.040 -4.954 1.00 73.21 C ATOM 1698 O MET A 116 15.162 2.050 -5.928 1.00 11.21 O ATOM 1699 CB MET A 116 15.747 1.087 -3.028 1.00 33.32 C ATOM 1700 CG MET A 116 15.888 -0.018 -1.978 1.00 71.21 C ATOM 1701 SD MET A 116 17.251 0.253 -0.814 1.00 71.02 S ATOM 1702 CE MET A 116 16.684 1.692 0.088 1.00 33.24 C ATOM 0 H MET A 116 15.487 -0.664 -4.907 1.00 62.43 H new ATOM 0 HA MET A 116 13.645 0.935 -3.295 1.00 64.12 H new ATOM 0 HB2 MET A 116 16.648 1.110 -3.642 1.00 33.32 H new ATOM 0 HB3 MET A 116 15.681 2.050 -2.522 1.00 33.32 H new ATOM 0 HG2 MET A 116 14.955 -0.098 -1.420 1.00 71.21 H new ATOM 0 HG3 MET A 116 16.039 -0.971 -2.485 1.00 71.21 H new ATOM 0 HE1 MET A 116 17.308 2.549 -0.165 1.00 33.24 H new ATOM 0 HE2 MET A 116 15.649 1.905 -0.180 1.00 33.24 H new ATOM 0 HE3 MET A 116 16.749 1.499 1.159 1.00 33.24 H new ATOM 1712 N SER A 117 13.506 2.956 -4.744 1.00 52.11 N ATOM 1713 CA SER A 117 13.303 4.049 -5.672 1.00 50.12 C ATOM 1714 C SER A 117 14.388 5.132 -5.472 1.00 73.33 C ATOM 1715 O SER A 117 15.095 5.129 -4.441 1.00 72.02 O ATOM 1716 CB SER A 117 11.884 4.615 -5.515 1.00 4.24 C ATOM 1717 OG SER A 117 11.575 5.519 -6.550 1.00 60.02 O ATOM 0 H SER A 117 12.884 2.966 -3.936 1.00 52.11 H new ATOM 0 HA SER A 117 13.399 3.681 -6.694 1.00 50.12 H new ATOM 0 HB2 SER A 117 11.162 3.798 -5.516 1.00 4.24 H new ATOM 0 HB3 SER A 117 11.795 5.118 -4.552 1.00 4.24 H new ATOM 0 HG SER A 117 11.089 6.285 -6.181 1.00 60.02 H new ATOM 1723 N ALA A 118 14.475 6.069 -6.419 1.00 5.34 N ATOM 1724 CA ALA A 118 15.546 7.082 -6.478 1.00 10.35 C ATOM 1725 C ALA A 118 15.614 7.923 -5.213 1.00 13.42 C ATOM 1726 O ALA A 118 16.706 8.233 -4.719 1.00 41.24 O ATOM 1727 CB ALA A 118 15.370 7.970 -7.700 1.00 40.52 C ATOM 0 H ALA A 118 13.799 6.152 -7.178 1.00 5.34 H new ATOM 0 HA ALA A 118 16.492 6.547 -6.559 1.00 10.35 H new ATOM 0 HB1 ALA A 118 16.168 8.712 -7.729 1.00 40.52 H new ATOM 0 HB2 ALA A 118 15.409 7.359 -8.602 1.00 40.52 H new ATOM 0 HB3 ALA A 118 14.406 8.476 -7.646 1.00 40.52 H new ATOM 1733 N GLU A 119 14.444 8.253 -4.692 1.00 42.30 N ATOM 1734 CA GLU A 119 14.264 9.018 -3.454 1.00 33.53 C ATOM 1735 C GLU A 119 15.048 8.362 -2.317 1.00 13.30 C ATOM 1736 O GLU A 119 15.620 9.031 -1.458 1.00 12.11 O ATOM 1737 CB GLU A 119 12.765 9.077 -3.038 1.00 31.50 C ATOM 1738 CG GLU A 119 11.761 9.475 -4.137 1.00 3.44 C ATOM 1739 CD GLU A 119 11.527 8.367 -5.149 1.00 72.32 C ATOM 1740 OE1 GLU A 119 10.687 7.503 -4.910 1.00 62.13 O ATOM 1741 OE2 GLU A 119 12.244 8.316 -6.159 1.00 30.42 O ATOM 0 H GLU A 119 13.560 7.991 -5.128 1.00 42.30 H new ATOM 0 HA GLU A 119 14.627 10.029 -3.639 1.00 33.53 H new ATOM 0 HB2 GLU A 119 12.479 8.098 -2.653 1.00 31.50 H new ATOM 0 HB3 GLU A 119 12.667 9.784 -2.214 1.00 31.50 H new ATOM 0 HG2 GLU A 119 10.812 9.745 -3.675 1.00 3.44 H new ATOM 0 HG3 GLU A 119 12.128 10.362 -4.654 1.00 3.44 H new ATOM 1748 N GLN A 120 15.086 7.045 -2.342 1.00 72.33 N ATOM 1749 CA GLN A 120 15.780 6.287 -1.343 1.00 21.11 C ATOM 1750 C GLN A 120 17.248 6.209 -1.721 1.00 53.21 C ATOM 1751 O GLN A 120 18.122 6.589 -0.937 1.00 34.21 O ATOM 1752 CB GLN A 120 15.208 4.865 -1.255 1.00 40.23 C ATOM 1753 CG GLN A 120 13.706 4.786 -0.996 1.00 71.14 C ATOM 1754 CD GLN A 120 13.285 5.388 0.332 1.00 75.41 C ATOM 1755 OE1 GLN A 120 14.133 5.313 1.322 1.00 43.13 O flip ATOM 1756 NE2 GLN A 120 12.196 5.891 0.468 1.00 21.31 N flip ATOM 0 H GLN A 120 14.634 6.478 -3.059 1.00 72.33 H new ATOM 0 HA GLN A 120 15.660 6.775 -0.376 1.00 21.11 H new ATOM 0 HB2 GLN A 120 15.428 4.343 -2.186 1.00 40.23 H new ATOM 0 HB3 GLN A 120 15.727 4.330 -0.460 1.00 40.23 H new ATOM 0 HG2 GLN A 120 13.180 5.299 -1.801 1.00 71.14 H new ATOM 0 HG3 GLN A 120 13.395 3.742 -1.027 1.00 71.14 H new ATOM 0 HE21 GLN A 120 11.553 5.936 -0.322 1.00 21.31 H new ATOM 0 HE22 GLN A 120 11.919 6.271 1.373 1.00 21.31 H new ATOM 1765 N ILE A 121 17.481 5.768 -2.956 1.00 64.41 N ATOM 1766 CA ILE A 121 18.815 5.532 -3.520 1.00 21.02 C ATOM 1767 C ILE A 121 19.764 6.703 -3.262 1.00 4.11 C ATOM 1768 O ILE A 121 20.797 6.540 -2.585 1.00 31.32 O ATOM 1769 CB ILE A 121 18.727 5.253 -5.053 1.00 45.13 C ATOM 1770 CG1 ILE A 121 17.899 4.007 -5.339 1.00 43.35 C ATOM 1771 CG2 ILE A 121 20.101 5.116 -5.682 1.00 35.03 C ATOM 1772 CD1 ILE A 121 17.775 3.699 -6.817 1.00 11.34 C ATOM 0 H ILE A 121 16.729 5.558 -3.612 1.00 64.41 H new ATOM 0 HA ILE A 121 19.220 4.654 -3.016 1.00 21.02 H new ATOM 0 HB ILE A 121 18.233 6.115 -5.502 1.00 45.13 H new ATOM 0 HG12 ILE A 121 18.352 3.154 -4.833 1.00 43.35 H new ATOM 0 HG13 ILE A 121 16.903 4.136 -4.917 1.00 43.35 H new ATOM 0 HG21 ILE A 121 19.995 4.922 -6.749 1.00 35.03 H new ATOM 0 HG22 ILE A 121 20.662 6.039 -5.535 1.00 35.03 H new ATOM 0 HG23 ILE A 121 20.634 4.288 -5.214 1.00 35.03 H new ATOM 0 HD11 ILE A 121 17.174 2.800 -6.952 1.00 11.34 H new ATOM 0 HD12 ILE A 121 17.295 4.536 -7.324 1.00 11.34 H new ATOM 0 HD13 ILE A 121 18.767 3.539 -7.240 1.00 11.34 H new ATOM 1784 N GLU A 122 19.383 7.889 -3.718 1.00 65.43 N ATOM 1785 CA GLU A 122 20.246 9.049 -3.583 1.00 33.42 C ATOM 1786 C GLU A 122 20.415 9.456 -2.135 1.00 64.14 C ATOM 1787 O GLU A 122 21.408 10.055 -1.787 1.00 13.41 O ATOM 1788 CB GLU A 122 19.758 10.248 -4.390 1.00 12.23 C ATOM 1789 CG GLU A 122 19.574 10.000 -5.874 1.00 53.34 C ATOM 1790 CD GLU A 122 20.738 9.274 -6.528 1.00 12.14 C ATOM 1791 OE1 GLU A 122 21.855 9.801 -6.550 1.00 40.15 O ATOM 1792 OE2 GLU A 122 20.542 8.142 -7.022 1.00 23.05 O ATOM 0 H GLU A 122 18.491 8.070 -4.179 1.00 65.43 H new ATOM 0 HA GLU A 122 21.211 8.741 -3.985 1.00 33.42 H new ATOM 0 HB2 GLU A 122 18.808 10.582 -3.974 1.00 12.23 H new ATOM 0 HB3 GLU A 122 20.468 11.065 -4.260 1.00 12.23 H new ATOM 0 HG2 GLU A 122 18.665 9.418 -6.025 1.00 53.34 H new ATOM 0 HG3 GLU A 122 19.427 10.956 -6.376 1.00 53.34 H new ATOM 1799 N TYR A 123 19.471 9.089 -1.279 1.00 52.05 N ATOM 1800 CA TYR A 123 19.561 9.474 0.108 1.00 22.22 C ATOM 1801 C TYR A 123 20.627 8.637 0.781 1.00 12.31 C ATOM 1802 O TYR A 123 21.549 9.165 1.417 1.00 45.20 O ATOM 1803 CB TYR A 123 18.207 9.321 0.821 1.00 44.33 C ATOM 1804 CG TYR A 123 18.245 9.673 2.295 1.00 14.40 C ATOM 1805 CD1 TYR A 123 18.233 10.997 2.714 1.00 35.01 C ATOM 1806 CD2 TYR A 123 18.296 8.679 3.267 1.00 52.01 C ATOM 1807 CE1 TYR A 123 18.272 11.321 4.056 1.00 35.34 C ATOM 1808 CE2 TYR A 123 18.333 8.994 4.609 1.00 3.41 C ATOM 1809 CZ TYR A 123 18.323 10.316 4.998 1.00 71.43 C ATOM 1810 OH TYR A 123 18.360 10.631 6.332 1.00 64.33 O ATOM 0 H TYR A 123 18.650 8.535 -1.522 1.00 52.05 H new ATOM 0 HA TYR A 123 19.834 10.527 0.169 1.00 22.22 H new ATOM 0 HB2 TYR A 123 17.473 9.956 0.325 1.00 44.33 H new ATOM 0 HB3 TYR A 123 17.864 8.292 0.712 1.00 44.33 H new ATOM 0 HD1 TYR A 123 18.192 11.786 1.978 1.00 35.01 H new ATOM 0 HD2 TYR A 123 18.307 7.642 2.965 1.00 52.01 H new ATOM 0 HE1 TYR A 123 18.263 12.356 4.366 1.00 35.34 H new ATOM 0 HE2 TYR A 123 18.370 8.210 5.350 1.00 3.41 H new ATOM 0 HH TYR A 123 18.393 9.807 6.862 1.00 64.33 H new ATOM 1820 N VAL A 124 20.539 7.336 0.575 1.00 64.32 N ATOM 1821 CA VAL A 124 21.480 6.406 1.164 1.00 54.13 C ATOM 1822 C VAL A 124 22.890 6.712 0.659 1.00 23.11 C ATOM 1823 O VAL A 124 23.839 6.723 1.429 1.00 43.33 O ATOM 1824 CB VAL A 124 21.103 4.930 0.858 1.00 2.12 C ATOM 1825 CG1 VAL A 124 22.070 3.966 1.537 1.00 15.43 C ATOM 1826 CG2 VAL A 124 19.673 4.636 1.298 1.00 30.35 C ATOM 0 H VAL A 124 19.819 6.899 -0.000 1.00 64.32 H new ATOM 0 HA VAL A 124 21.445 6.531 2.246 1.00 54.13 H new ATOM 0 HB VAL A 124 21.174 4.785 -0.220 1.00 2.12 H new ATOM 0 HG11 VAL A 124 21.783 2.940 1.306 1.00 15.43 H new ATOM 0 HG12 VAL A 124 23.081 4.150 1.175 1.00 15.43 H new ATOM 0 HG13 VAL A 124 22.038 4.118 2.616 1.00 15.43 H new ATOM 0 HG21 VAL A 124 19.430 3.597 1.074 1.00 30.35 H new ATOM 0 HG22 VAL A 124 19.580 4.808 2.370 1.00 30.35 H new ATOM 0 HG23 VAL A 124 18.986 5.292 0.764 1.00 30.35 H new ATOM 1836 N LYS A 125 22.995 7.051 -0.616 1.00 41.53 N ATOM 1837 CA LYS A 125 24.287 7.385 -1.211 1.00 42.51 C ATOM 1838 C LYS A 125 24.805 8.742 -0.756 1.00 25.22 C ATOM 1839 O LYS A 125 25.980 9.044 -0.925 1.00 2.03 O ATOM 1840 CB LYS A 125 24.216 7.359 -2.729 1.00 73.50 C ATOM 1841 CG LYS A 125 23.793 6.020 -3.280 1.00 40.21 C ATOM 1842 CD LYS A 125 23.870 5.965 -4.791 1.00 71.24 C ATOM 1843 CE LYS A 125 23.013 7.022 -5.414 1.00 21.24 C ATOM 1844 NZ LYS A 125 22.846 6.829 -6.861 1.00 24.41 N ATOM 0 H LYS A 125 22.206 7.103 -1.260 1.00 41.53 H new ATOM 0 HA LYS A 125 24.985 6.622 -0.865 1.00 42.51 H new ATOM 0 HB2 LYS A 125 23.515 8.122 -3.067 1.00 73.50 H new ATOM 0 HB3 LYS A 125 25.192 7.621 -3.137 1.00 73.50 H new ATOM 0 HG2 LYS A 125 24.427 5.240 -2.858 1.00 40.21 H new ATOM 0 HG3 LYS A 125 22.772 5.806 -2.963 1.00 40.21 H new ATOM 0 HD2 LYS A 125 24.904 6.096 -5.110 1.00 71.24 H new ATOM 0 HD3 LYS A 125 23.551 4.982 -5.139 1.00 71.24 H new ATOM 0 HE2 LYS A 125 22.034 7.021 -4.935 1.00 21.24 H new ATOM 0 HE3 LYS A 125 23.457 8.000 -5.230 1.00 21.24 H new ATOM 0 HZ1 LYS A 125 21.857 7.013 -7.124 1.00 24.41 H new ATOM 0 HZ2 LYS A 125 23.468 7.486 -7.373 1.00 24.41 H new ATOM 0 HZ3 LYS A 125 23.094 5.851 -7.112 1.00 24.41 H new ATOM 1858 N ALA A 126 23.939 9.553 -0.192 1.00 73.31 N ATOM 1859 CA ALA A 126 24.335 10.868 0.236 1.00 14.32 C ATOM 1860 C ALA A 126 24.670 10.870 1.724 1.00 43.53 C ATOM 1861 O ALA A 126 25.406 11.725 2.202 1.00 2.33 O ATOM 1862 CB ALA A 126 23.237 11.885 -0.093 1.00 71.21 C ATOM 0 H ALA A 126 22.960 9.323 -0.021 1.00 73.31 H new ATOM 0 HA ALA A 126 25.236 11.159 -0.305 1.00 14.32 H new ATOM 0 HB1 ALA A 126 23.549 12.876 0.236 1.00 71.21 H new ATOM 0 HB2 ALA A 126 23.063 11.898 -1.169 1.00 71.21 H new ATOM 0 HB3 ALA A 126 22.317 11.605 0.420 1.00 71.21 H new ATOM 1868 N ASN A 127 24.125 9.906 2.447 1.00 13.53 N ATOM 1869 CA ASN A 127 24.361 9.815 3.890 1.00 72.11 C ATOM 1870 C ASN A 127 25.456 8.784 4.232 1.00 12.41 C ATOM 1871 O ASN A 127 26.150 8.911 5.240 1.00 61.34 O ATOM 1872 CB ASN A 127 23.046 9.469 4.622 1.00 74.30 C ATOM 1873 CG ASN A 127 23.152 9.534 6.149 1.00 70.52 C ATOM 1874 OD1 ASN A 127 23.449 8.423 6.789 1.00 43.40 O flip ATOM 1875 ND2 ASN A 127 22.935 10.574 6.745 1.00 25.41 N flip ATOM 0 H ASN A 127 23.520 9.178 2.068 1.00 13.53 H new ATOM 0 HA ASN A 127 24.716 10.788 4.229 1.00 72.11 H new ATOM 0 HB2 ASN A 127 22.266 10.155 4.292 1.00 74.30 H new ATOM 0 HB3 ASN A 127 22.732 8.466 4.331 1.00 74.30 H new ATOM 0 HD21 ASN A 127 22.707 11.422 6.225 1.00 25.41 H new ATOM 0 HD22 ASN A 127 22.981 10.597 7.764 1.00 25.41 H new ATOM 1882 N LEU A 128 25.605 7.762 3.408 1.00 74.33 N ATOM 1883 CA LEU A 128 26.589 6.715 3.677 1.00 50.31 C ATOM 1884 C LEU A 128 27.864 6.921 2.854 1.00 62.53 C ATOM 1885 O LEU A 128 27.794 7.226 1.666 1.00 33.20 O ATOM 1886 CB LEU A 128 26.022 5.289 3.437 1.00 24.22 C ATOM 1887 CG LEU A 128 25.025 4.709 4.477 1.00 21.35 C ATOM 1888 CD1 LEU A 128 23.750 5.528 4.591 1.00 45.03 C ATOM 1889 CD2 LEU A 128 24.690 3.271 4.128 1.00 34.34 C ATOM 0 H LEU A 128 25.065 7.630 2.553 1.00 74.33 H new ATOM 0 HA LEU A 128 26.837 6.796 4.735 1.00 50.31 H new ATOM 0 HB2 LEU A 128 25.528 5.287 2.465 1.00 24.22 H new ATOM 0 HB3 LEU A 128 26.866 4.603 3.367 1.00 24.22 H new ATOM 0 HG LEU A 128 25.517 4.751 5.449 1.00 21.35 H new ATOM 0 HD11 LEU A 128 23.092 5.075 5.332 1.00 45.03 H new ATOM 0 HD12 LEU A 128 23.997 6.544 4.898 1.00 45.03 H new ATOM 0 HD13 LEU A 128 23.246 5.553 3.625 1.00 45.03 H new ATOM 0 HD21 LEU A 128 23.990 2.872 4.862 1.00 34.34 H new ATOM 0 HD22 LEU A 128 24.237 3.233 3.137 1.00 34.34 H new ATOM 0 HD23 LEU A 128 25.602 2.673 4.133 1.00 34.34 H new ATOM 1901 N PRO A 129 29.051 6.768 3.484 1.00 5.25 N ATOM 1902 CA PRO A 129 30.337 6.915 2.805 1.00 2.22 C ATOM 1903 C PRO A 129 30.557 5.857 1.727 1.00 13.31 C ATOM 1904 O PRO A 129 30.106 4.703 1.849 1.00 24.24 O ATOM 1905 CB PRO A 129 31.379 6.736 3.920 1.00 41.03 C ATOM 1906 CG PRO A 129 30.629 6.909 5.185 1.00 13.41 C ATOM 1907 CD PRO A 129 29.229 6.459 4.903 1.00 51.13 C ATOM 0 HA PRO A 129 30.398 7.876 2.294 1.00 2.22 H new ATOM 0 HB2 PRO A 129 31.844 5.752 3.870 1.00 41.03 H new ATOM 0 HB3 PRO A 129 32.179 7.471 3.833 1.00 41.03 H new ATOM 0 HG2 PRO A 129 31.074 6.319 5.986 1.00 13.41 H new ATOM 0 HG3 PRO A 129 30.646 7.950 5.509 1.00 13.41 H new ATOM 0 HD2 PRO A 129 29.102 5.395 5.101 1.00 51.13 H new ATOM 0 HD3 PRO A 129 28.505 6.988 5.523 1.00 51.13 H new ATOM 1915 N GLN A 130 31.269 6.251 0.698 1.00 3.41 N ATOM 1916 CA GLN A 130 31.551 5.396 -0.427 1.00 14.53 C ATOM 1917 C GLN A 130 32.994 4.956 -0.364 1.00 63.24 C ATOM 1918 O GLN A 130 33.894 5.785 -0.516 1.00 33.23 O ATOM 1919 CB GLN A 130 31.355 6.180 -1.731 1.00 15.20 C ATOM 1920 CG GLN A 130 30.015 6.864 -1.848 1.00 63.51 C ATOM 1921 CD GLN A 130 29.838 7.602 -3.161 1.00 2.05 C ATOM 1922 OE1 GLN A 130 29.369 7.041 -4.140 1.00 53.02 O ATOM 1923 NE2 GLN A 130 30.184 8.864 -3.184 1.00 25.31 N ATOM 0 H GLN A 130 31.672 7.184 0.619 1.00 3.41 H new ATOM 0 HA GLN A 130 30.882 4.536 -0.398 1.00 14.53 H new ATOM 0 HB2 GLN A 130 32.141 6.930 -1.812 1.00 15.20 H new ATOM 0 HB3 GLN A 130 31.477 5.499 -2.573 1.00 15.20 H new ATOM 0 HG2 GLN A 130 29.224 6.121 -1.746 1.00 63.51 H new ATOM 0 HG3 GLN A 130 29.900 7.568 -1.024 1.00 63.51 H new ATOM 0 HE21 GLN A 130 30.573 9.302 -2.349 1.00 25.31 H new ATOM 0 HE22 GLN A 130 30.065 9.410 -4.037 1.00 25.31 H new ATOM 1973 N GLY A 134 30.103 0.551 -2.569 1.00 21.35 N ATOM 1974 CA GLY A 134 29.727 -0.029 -1.349 1.00 32.40 C ATOM 1975 C GLY A 134 29.541 1.029 -0.321 1.00 1.22 C ATOM 1976 O GLY A 134 30.506 1.610 0.202 1.00 74.23 O ATOM 0 HA2 GLY A 134 28.803 -0.593 -1.474 1.00 32.40 H new ATOM 0 HA3 GLY A 134 30.490 -0.736 -1.022 1.00 32.40 H new ATOM 1980 N TYR A 135 28.318 1.307 -0.074 1.00 33.21 N ATOM 1981 CA TYR A 135 27.902 2.280 0.866 1.00 54.13 C ATOM 1982 C TYR A 135 27.995 1.696 2.251 1.00 53.31 C ATOM 1983 O TYR A 135 27.359 0.678 2.563 1.00 25.04 O ATOM 1984 CB TYR A 135 26.506 2.758 0.460 1.00 51.44 C ATOM 1985 CG TYR A 135 26.591 3.501 -0.856 1.00 21.44 C ATOM 1986 CD1 TYR A 135 26.918 4.837 -0.882 1.00 72.33 C ATOM 1987 CD2 TYR A 135 26.428 2.840 -2.075 1.00 11.41 C ATOM 1988 CE1 TYR A 135 27.067 5.502 -2.073 1.00 4.41 C ATOM 1989 CE2 TYR A 135 26.593 3.500 -3.271 1.00 74.03 C ATOM 1990 CZ TYR A 135 26.911 4.834 -3.263 1.00 3.12 C ATOM 1991 OH TYR A 135 27.088 5.510 -4.451 1.00 62.35 O ATOM 0 H TYR A 135 27.541 0.841 -0.543 1.00 33.21 H new ATOM 0 HA TYR A 135 28.544 3.161 0.877 1.00 54.13 H new ATOM 0 HB2 TYR A 135 25.831 1.907 0.367 1.00 51.44 H new ATOM 0 HB3 TYR A 135 26.094 3.409 1.231 1.00 51.44 H new ATOM 0 HD1 TYR A 135 27.059 5.369 0.047 1.00 72.33 H new ATOM 0 HD2 TYR A 135 26.168 1.792 -2.079 1.00 11.41 H new ATOM 0 HE1 TYR A 135 27.308 6.555 -2.075 1.00 4.41 H new ATOM 0 HE2 TYR A 135 26.473 2.973 -4.206 1.00 74.03 H new ATOM 0 HH TYR A 135 27.915 6.035 -4.409 1.00 62.35 H new ATOM 2001 N ASP A 136 28.853 2.295 3.034 1.00 5.44 N ATOM 2002 CA ASP A 136 29.221 1.799 4.356 1.00 55.35 C ATOM 2003 C ASP A 136 28.089 1.955 5.367 1.00 31.34 C ATOM 2004 O ASP A 136 27.920 3.022 6.001 1.00 14.31 O ATOM 2005 CB ASP A 136 30.475 2.524 4.846 1.00 71.15 C ATOM 2006 CG ASP A 136 31.030 1.938 6.113 1.00 65.02 C ATOM 2007 OD1 ASP A 136 30.479 2.210 7.192 1.00 34.55 O ATOM 2008 OD2 ASP A 136 32.036 1.203 6.017 1.00 4.10 O ATOM 0 H ASP A 136 29.331 3.158 2.776 1.00 5.44 H new ATOM 0 HA ASP A 136 29.424 0.732 4.266 1.00 55.35 H new ATOM 0 HB2 ASP A 136 31.238 2.485 4.069 1.00 71.15 H new ATOM 0 HB3 ASP A 136 30.240 3.576 5.010 1.00 71.15 H new ATOM 2013 N TYR A 137 27.313 0.896 5.564 1.00 42.34 N ATOM 2014 CA TYR A 137 26.191 1.009 6.461 1.00 75.41 C ATOM 2015 C TYR A 137 26.621 0.900 7.910 1.00 54.43 C ATOM 2016 O TYR A 137 25.813 1.032 8.812 1.00 33.21 O ATOM 2017 CB TYR A 137 24.987 0.090 6.112 1.00 0.44 C ATOM 2018 CG TYR A 137 25.125 -1.390 6.404 1.00 15.12 C ATOM 2019 CD1 TYR A 137 24.725 -1.909 7.633 1.00 11.04 C ATOM 2020 CD2 TYR A 137 25.599 -2.269 5.454 1.00 42.31 C ATOM 2021 CE1 TYR A 137 24.804 -3.252 7.905 1.00 44.53 C ATOM 2022 CE2 TYR A 137 25.674 -3.620 5.718 1.00 41.14 C ATOM 2023 CZ TYR A 137 25.274 -4.105 6.946 1.00 44.13 C ATOM 2024 OH TYR A 137 25.343 -5.450 7.206 1.00 42.11 O ATOM 0 H TYR A 137 27.440 -0.017 5.128 1.00 42.34 H new ATOM 0 HA TYR A 137 25.800 2.016 6.313 1.00 75.41 H new ATOM 0 HB2 TYR A 137 24.115 0.459 6.653 1.00 0.44 H new ATOM 0 HB3 TYR A 137 24.775 0.204 5.049 1.00 0.44 H new ATOM 0 HD1 TYR A 137 24.344 -1.239 8.390 1.00 11.04 H new ATOM 0 HD2 TYR A 137 25.915 -1.895 4.491 1.00 42.31 H new ATOM 0 HE1 TYR A 137 24.497 -3.631 8.869 1.00 44.53 H new ATOM 0 HE2 TYR A 137 26.046 -4.298 4.964 1.00 41.14 H new ATOM 0 HH TYR A 137 26.230 -5.786 6.959 1.00 42.11 H new ATOM 2034 N ALA A 138 27.908 0.729 8.133 1.00 64.14 N ATOM 2035 CA ALA A 138 28.439 0.753 9.465 1.00 20.54 C ATOM 2036 C ALA A 138 28.416 2.200 9.947 1.00 13.13 C ATOM 2037 O ALA A 138 28.281 2.476 11.159 1.00 1.53 O ATOM 2038 CB ALA A 138 29.844 0.170 9.511 1.00 4.05 C ATOM 0 H ALA A 138 28.601 0.572 7.401 1.00 64.14 H new ATOM 0 HA ALA A 138 27.831 0.133 10.123 1.00 20.54 H new ATOM 0 HB1 ALA A 138 30.218 0.203 10.534 1.00 4.05 H new ATOM 0 HB2 ALA A 138 29.820 -0.864 9.166 1.00 4.05 H new ATOM 0 HB3 ALA A 138 30.501 0.753 8.866 1.00 4.05 H new ATOM 2044 N ALA A 139 28.467 3.141 8.976 1.00 13.15 N ATOM 2045 CA ALA A 139 28.346 4.556 9.280 1.00 51.33 C ATOM 2046 C ALA A 139 26.920 4.863 9.676 1.00 60.32 C ATOM 2047 O ALA A 139 26.643 5.799 10.405 1.00 64.52 O ATOM 2048 CB ALA A 139 28.707 5.390 8.083 1.00 62.53 C ATOM 0 H ALA A 139 28.591 2.932 7.985 1.00 13.15 H new ATOM 0 HA ALA A 139 29.027 4.794 10.097 1.00 51.33 H new ATOM 0 HB1 ALA A 139 28.609 6.446 8.333 1.00 62.53 H new ATOM 0 HB2 ALA A 139 29.736 5.180 7.790 1.00 62.53 H new ATOM 0 HB3 ALA A 139 28.038 5.149 7.257 1.00 62.53 H new ATOM 2054 N TRP A 140 26.043 4.053 9.185 1.00 24.12 N ATOM 2055 CA TRP A 140 24.644 4.158 9.449 1.00 73.12 C ATOM 2056 C TRP A 140 24.301 3.525 10.812 1.00 52.44 C ATOM 2057 O TRP A 140 23.492 4.054 11.551 1.00 33.05 O ATOM 2058 CB TRP A 140 23.884 3.506 8.280 1.00 20.40 C ATOM 2059 CG TRP A 140 22.444 3.274 8.519 1.00 55.22 C ATOM 2060 CD1 TRP A 140 21.456 4.201 8.549 1.00 52.15 C ATOM 2061 CD2 TRP A 140 21.829 2.010 8.745 1.00 42.14 C ATOM 2062 NE1 TRP A 140 20.251 3.584 8.803 1.00 4.10 N ATOM 2063 CE2 TRP A 140 20.465 2.234 8.925 1.00 45.32 C ATOM 2064 CE3 TRP A 140 22.315 0.706 8.820 1.00 51.21 C ATOM 2065 CZ2 TRP A 140 19.576 1.202 9.173 1.00 3.21 C ATOM 2066 CZ3 TRP A 140 21.432 -0.320 9.066 1.00 35.12 C ATOM 2067 CH2 TRP A 140 20.075 -0.067 9.240 1.00 32.14 C ATOM 0 H TRP A 140 26.285 3.276 8.570 1.00 24.12 H new ATOM 0 HA TRP A 140 24.341 5.203 9.518 1.00 73.12 H new ATOM 0 HB2 TRP A 140 23.993 4.138 7.399 1.00 20.40 H new ATOM 0 HB3 TRP A 140 24.356 2.551 8.048 1.00 20.40 H new ATOM 0 HD1 TRP A 140 21.593 5.261 8.397 1.00 52.15 H new ATOM 0 HE1 TRP A 140 19.349 4.053 8.887 1.00 4.10 H new ATOM 0 HE3 TRP A 140 23.368 0.504 8.687 1.00 51.21 H new ATOM 0 HZ2 TRP A 140 18.522 1.395 9.309 1.00 3.21 H new ATOM 0 HZ3 TRP A 140 21.797 -1.335 9.125 1.00 35.12 H new ATOM 0 HH2 TRP A 140 19.403 -0.891 9.432 1.00 32.14 H new