USER MOD reduce.3.24.130724 H: found=0, std=0, add=876, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 877 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 91 ASN : amide:sc= 0.66 K(o=0.98,f=-2.7!) USER MOD Set 1.2: A 93 SER OG : rot 89:sc= 0.323 USER MOD Set 2.1: A 42 ASN : amide:sc= 1.09 K(o=2.2,f=-5.1!) USER MOD Set 2.2: A 49 LYS NZ :NH3+ -151:sc= 1.15 (180deg=0) USER MOD Set 3.1: A 45 MET CE :methyl 156:sc= -0.421 (180deg=-2.15) USER MOD Set 3.2: A 90 TYR OH : rot -126:sc= 1.32 USER MOD Set 4.1: A 13 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 18 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 15 ASN : amide:sc= 0.224 K(o=0.59,f=-0.36) USER MOD Set 5.2: A 19 TYR OH : rot 15:sc= 0.365 USER MOD Set 6.1: A 4 LYS NZ :NH3+ 174:sc= 1.27 (180deg=-0.0019) USER MOD Set 6.2: A 65 SER OG : rot -74:sc= 1.36 USER MOD Single : A 5 LYS NZ :NH3+ -125:sc= 0.809 (180deg=-0.0326) USER MOD Single : A 9 GLN : amide:sc= -0.577 K(o=-0.58,f=-5.4!) USER MOD Single : A 11 LYS NZ :NH3+ -134:sc= 0.833 (180deg=-0.575) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= -0.0883 USER MOD Single : A 24 GLN : amide:sc= -0.0381 X(o=-0.038,f=-0.3) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 134:sc= 0.278 (180deg=-0.299) USER MOD Single : A 36 LYS NZ :NH3+ -114:sc= 0.134 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 179:sc= 0.451 (180deg=0.45) USER MOD Single : A 39 LYS NZ :NH3+ -169:sc= -0.0147 (180deg=-0.178) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0173) USER MOD Single : A 64 HIS : no HE2:sc= -0.285 K(o=-0.24,f=-0.99) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 168:sc= 0.633 (180deg=0.547) USER MOD Single : A 75 LYS NZ :NH3+ 131:sc= 0.405 (180deg=-0.165) USER MOD Single : A 76 LYS NZ :NH3+ 137:sc= 0.372 (180deg=-0.256) USER MOD Single : A 82 ASN : amide:sc=-0.00131 X(o=-0.0013,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0186) USER MOD Single : A 94 ASN : amide:sc= -0.0625 X(o=-0.063,f=-0.26) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= -0.415 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 38 N LYS A 4 16.236 -7.204 0.383 1.00 0.02 N ATOM 39 CA LYS A 4 15.712 -6.632 1.629 1.00 4.43 C ATOM 40 C LYS A 4 14.228 -6.977 1.784 1.00 64.42 C ATOM 41 O LYS A 4 13.430 -6.781 0.855 1.00 71.01 O ATOM 42 CB LYS A 4 15.948 -5.092 1.662 1.00 72.45 C ATOM 43 CG LYS A 4 15.520 -4.378 2.977 1.00 30.44 C ATOM 44 CD LYS A 4 16.149 -4.979 4.265 1.00 11.40 C ATOM 45 CE LYS A 4 17.691 -5.065 4.218 1.00 54.32 C ATOM 46 NZ LYS A 4 18.330 -3.743 3.999 1.00 34.33 N ATOM 0 HA LYS A 4 16.247 -7.066 2.474 1.00 4.43 H new ATOM 0 HB2 LYS A 4 17.008 -4.900 1.493 1.00 72.45 H new ATOM 0 HB3 LYS A 4 15.406 -4.641 0.831 1.00 72.45 H new ATOM 0 HG2 LYS A 4 15.793 -3.325 2.910 1.00 30.44 H new ATOM 0 HG3 LYS A 4 14.434 -4.421 3.063 1.00 30.44 H new ATOM 0 HD2 LYS A 4 15.853 -4.372 5.121 1.00 11.40 H new ATOM 0 HD3 LYS A 4 15.742 -5.977 4.426 1.00 11.40 H new ATOM 0 HE2 LYS A 4 18.056 -5.491 5.153 1.00 54.32 H new ATOM 0 HE3 LYS A 4 17.989 -5.745 3.420 1.00 54.32 H new ATOM 0 HZ1 LYS A 4 19.363 -3.839 4.077 1.00 34.33 H new ATOM 0 HZ2 LYS A 4 18.086 -3.392 3.051 1.00 34.33 H new ATOM 0 HZ3 LYS A 4 17.990 -3.070 4.716 1.00 34.33 H new ATOM 60 N LYS A 5 13.883 -7.527 2.961 1.00 23.24 N ATOM 61 CA LYS A 5 12.506 -7.824 3.342 1.00 42.30 C ATOM 62 C LYS A 5 11.874 -6.569 3.964 1.00 52.52 C ATOM 63 O LYS A 5 12.274 -6.129 5.052 1.00 54.43 O ATOM 64 CB LYS A 5 12.456 -9.002 4.357 1.00 72.31 C ATOM 65 CG LYS A 5 11.017 -9.526 4.651 1.00 53.33 C ATOM 66 CD LYS A 5 10.889 -10.269 6.006 1.00 14.41 C ATOM 67 CE LYS A 5 11.139 -9.333 7.197 1.00 70.41 C ATOM 68 NZ LYS A 5 10.841 -9.988 8.499 1.00 53.30 N ATOM 0 H LYS A 5 14.565 -7.778 3.677 1.00 23.24 H new ATOM 0 HA LYS A 5 11.948 -8.118 2.453 1.00 42.30 H new ATOM 0 HB2 LYS A 5 13.060 -9.824 3.973 1.00 72.31 H new ATOM 0 HB3 LYS A 5 12.913 -8.681 5.293 1.00 72.31 H new ATOM 0 HG2 LYS A 5 10.324 -8.684 4.641 1.00 53.33 H new ATOM 0 HG3 LYS A 5 10.713 -10.198 3.848 1.00 53.33 H new ATOM 0 HD2 LYS A 5 9.893 -10.704 6.089 1.00 14.41 H new ATOM 0 HD3 LYS A 5 11.601 -11.094 6.037 1.00 14.41 H new ATOM 0 HE2 LYS A 5 12.178 -9.005 7.187 1.00 70.41 H new ATOM 0 HE3 LYS A 5 10.522 -8.441 7.091 1.00 70.41 H new ATOM 0 HZ1 LYS A 5 10.157 -9.411 9.029 1.00 53.30 H new ATOM 0 HZ2 LYS A 5 10.439 -10.932 8.329 1.00 53.30 H new ATOM 0 HZ3 LYS A 5 11.718 -10.079 9.050 1.00 53.30 H new ATOM 82 N VAL A 6 10.920 -5.986 3.250 1.00 54.54 N ATOM 83 CA VAL A 6 10.080 -4.889 3.753 1.00 20.33 C ATOM 84 C VAL A 6 8.737 -5.481 4.195 1.00 61.22 C ATOM 85 O VAL A 6 8.223 -6.409 3.571 1.00 52.22 O ATOM 86 CB VAL A 6 9.862 -3.759 2.661 1.00 51.20 C ATOM 87 CG1 VAL A 6 9.585 -4.349 1.266 1.00 33.01 C ATOM 88 CG2 VAL A 6 8.724 -2.800 3.055 1.00 32.23 C ATOM 0 H VAL A 6 10.699 -6.260 2.293 1.00 54.54 H new ATOM 0 HA VAL A 6 10.582 -4.412 4.595 1.00 20.33 H new ATOM 0 HB VAL A 6 10.794 -3.196 2.615 1.00 51.20 H new ATOM 0 HG11 VAL A 6 9.442 -3.539 0.550 1.00 33.01 H new ATOM 0 HG12 VAL A 6 10.431 -4.962 0.956 1.00 33.01 H new ATOM 0 HG13 VAL A 6 8.686 -4.964 1.303 1.00 33.01 H new ATOM 0 HG21 VAL A 6 8.605 -2.040 2.283 1.00 32.23 H new ATOM 0 HG22 VAL A 6 7.795 -3.361 3.159 1.00 32.23 H new ATOM 0 HG23 VAL A 6 8.965 -2.319 4.003 1.00 32.23 H new ATOM 98 N GLU A 7 8.182 -4.952 5.291 1.00 1.43 N ATOM 99 CA GLU A 7 6.874 -5.380 5.802 1.00 33.34 C ATOM 100 C GLU A 7 5.869 -4.225 5.672 1.00 12.20 C ATOM 101 O GLU A 7 6.054 -3.153 6.250 1.00 22.51 O ATOM 102 CB GLU A 7 7.001 -5.882 7.252 1.00 11.51 C ATOM 103 CG GLU A 7 7.877 -7.142 7.407 1.00 23.12 C ATOM 104 CD GLU A 7 7.916 -7.693 8.841 1.00 41.12 C ATOM 105 OE1 GLU A 7 6.836 -7.910 9.430 1.00 4.41 O ATOM 106 OE2 GLU A 7 9.018 -7.924 9.383 1.00 3.11 O ATOM 0 H GLU A 7 8.623 -4.219 5.846 1.00 1.43 H new ATOM 0 HA GLU A 7 6.502 -6.215 5.209 1.00 33.34 H new ATOM 0 HB2 GLU A 7 7.419 -5.084 7.866 1.00 11.51 H new ATOM 0 HB3 GLU A 7 6.005 -6.095 7.640 1.00 11.51 H new ATOM 0 HG2 GLU A 7 7.504 -7.918 6.739 1.00 23.12 H new ATOM 0 HG3 GLU A 7 8.893 -6.909 7.089 1.00 23.12 H new ATOM 113 N VAL A 8 4.813 -4.471 4.892 1.00 62.11 N ATOM 114 CA VAL A 8 3.832 -3.459 4.479 1.00 44.43 C ATOM 115 C VAL A 8 2.515 -3.674 5.240 1.00 61.04 C ATOM 116 O VAL A 8 1.857 -4.699 5.061 1.00 15.24 O ATOM 117 CB VAL A 8 3.584 -3.551 2.924 1.00 42.50 C ATOM 118 CG1 VAL A 8 2.562 -2.499 2.434 1.00 14.53 C ATOM 119 CG2 VAL A 8 4.927 -3.440 2.160 1.00 45.23 C ATOM 0 H VAL A 8 4.610 -5.399 4.521 1.00 62.11 H new ATOM 0 HA VAL A 8 4.219 -2.467 4.713 1.00 44.43 H new ATOM 0 HB VAL A 8 3.147 -4.527 2.712 1.00 42.50 H new ATOM 0 HG11 VAL A 8 2.423 -2.600 1.358 1.00 14.53 H new ATOM 0 HG12 VAL A 8 1.609 -2.655 2.939 1.00 14.53 H new ATOM 0 HG13 VAL A 8 2.933 -1.499 2.659 1.00 14.53 H new ATOM 0 HG21 VAL A 8 4.742 -3.505 1.088 1.00 45.23 H new ATOM 0 HG22 VAL A 8 5.398 -2.484 2.390 1.00 45.23 H new ATOM 0 HG23 VAL A 8 5.587 -4.252 2.464 1.00 45.23 H new ATOM 129 N GLN A 9 2.127 -2.699 6.071 1.00 35.22 N ATOM 130 CA GLN A 9 0.895 -2.768 6.852 1.00 42.01 C ATOM 131 C GLN A 9 -0.220 -2.099 6.038 1.00 24.31 C ATOM 132 O GLN A 9 -0.266 -0.871 5.944 1.00 54.43 O ATOM 133 CB GLN A 9 1.075 -2.046 8.217 1.00 25.44 C ATOM 134 CG GLN A 9 -0.169 -2.127 9.131 1.00 21.31 C ATOM 135 CD GLN A 9 -0.125 -1.211 10.355 1.00 15.34 C ATOM 136 OE1 GLN A 9 0.941 -0.862 10.866 1.00 54.22 O ATOM 137 NE2 GLN A 9 -1.298 -0.840 10.850 1.00 33.02 N ATOM 0 H GLN A 9 2.661 -1.842 6.218 1.00 35.22 H new ATOM 0 HA GLN A 9 0.640 -3.808 7.058 1.00 42.01 H new ATOM 0 HB2 GLN A 9 1.927 -2.481 8.739 1.00 25.44 H new ATOM 0 HB3 GLN A 9 1.314 -0.998 8.035 1.00 25.44 H new ATOM 0 HG2 GLN A 9 -1.052 -1.881 8.542 1.00 21.31 H new ATOM 0 HG3 GLN A 9 -0.288 -3.156 9.469 1.00 21.31 H new ATOM 0 HE21 GLN A 9 -2.161 -1.147 10.402 1.00 33.02 H new ATOM 0 HE22 GLN A 9 -1.337 -0.247 11.679 1.00 33.02 H new ATOM 146 N VAL A 10 -1.083 -2.910 5.419 1.00 2.23 N ATOM 147 CA VAL A 10 -2.220 -2.414 4.633 1.00 51.34 C ATOM 148 C VAL A 10 -3.468 -2.438 5.523 1.00 55.44 C ATOM 149 O VAL A 10 -4.025 -3.504 5.780 1.00 30.24 O ATOM 150 CB VAL A 10 -2.437 -3.282 3.334 1.00 2.30 C ATOM 151 CG1 VAL A 10 -3.659 -2.793 2.517 1.00 73.35 C ATOM 152 CG2 VAL A 10 -1.148 -3.307 2.473 1.00 32.02 C ATOM 0 H VAL A 10 -1.015 -3.927 5.448 1.00 2.23 H new ATOM 0 HA VAL A 10 -2.020 -1.395 4.303 1.00 51.34 H new ATOM 0 HB VAL A 10 -2.654 -4.304 3.646 1.00 2.30 H new ATOM 0 HG11 VAL A 10 -3.776 -3.415 1.630 1.00 73.35 H new ATOM 0 HG12 VAL A 10 -4.558 -2.862 3.130 1.00 73.35 H new ATOM 0 HG13 VAL A 10 -3.504 -1.757 2.216 1.00 73.35 H new ATOM 0 HG21 VAL A 10 -1.318 -3.911 1.581 1.00 32.02 H new ATOM 0 HG22 VAL A 10 -0.887 -2.290 2.179 1.00 32.02 H new ATOM 0 HG23 VAL A 10 -0.332 -3.738 3.053 1.00 32.02 H new ATOM 162 N LYS A 11 -3.862 -1.259 6.021 1.00 72.11 N ATOM 163 CA LYS A 11 -5.011 -1.097 6.924 1.00 13.23 C ATOM 164 C LYS A 11 -6.180 -0.505 6.126 1.00 2.51 C ATOM 165 O LYS A 11 -6.172 0.681 5.833 1.00 12.33 O ATOM 166 CB LYS A 11 -4.596 -0.150 8.093 1.00 4.04 C ATOM 167 CG LYS A 11 -5.713 0.183 9.117 1.00 71.52 C ATOM 168 CD LYS A 11 -5.336 1.349 10.066 1.00 43.32 C ATOM 169 CE LYS A 11 -4.109 1.051 10.948 1.00 23.24 C ATOM 170 NZ LYS A 11 -4.395 0.018 11.981 1.00 24.43 N ATOM 0 H LYS A 11 -3.388 -0.382 5.807 1.00 72.11 H new ATOM 0 HA LYS A 11 -5.321 -2.055 7.342 1.00 13.23 H new ATOM 0 HB2 LYS A 11 -3.763 -0.606 8.627 1.00 4.04 H new ATOM 0 HB3 LYS A 11 -4.229 0.784 7.667 1.00 4.04 H new ATOM 0 HG2 LYS A 11 -6.626 0.440 8.580 1.00 71.52 H new ATOM 0 HG3 LYS A 11 -5.931 -0.705 9.710 1.00 71.52 H new ATOM 0 HD2 LYS A 11 -5.138 2.241 9.472 1.00 43.32 H new ATOM 0 HD3 LYS A 11 -6.188 1.575 10.707 1.00 43.32 H new ATOM 0 HE2 LYS A 11 -3.285 0.715 10.319 1.00 23.24 H new ATOM 0 HE3 LYS A 11 -3.783 1.970 11.436 1.00 23.24 H new ATOM 0 HZ1 LYS A 11 -4.023 0.333 12.899 1.00 24.43 H new ATOM 0 HZ2 LYS A 11 -5.423 -0.124 12.054 1.00 24.43 H new ATOM 0 HZ3 LYS A 11 -3.940 -0.878 11.712 1.00 24.43 H new ATOM 184 N ILE A 12 -7.178 -1.328 5.761 1.00 62.32 N ATOM 185 CA ILE A 12 -8.355 -0.852 5.001 1.00 41.45 C ATOM 186 C ILE A 12 -9.617 -0.936 5.880 1.00 41.32 C ATOM 187 O ILE A 12 -9.936 -1.987 6.434 1.00 1.15 O ATOM 188 CB ILE A 12 -8.551 -1.625 3.632 1.00 43.42 C ATOM 189 CG1 ILE A 12 -9.823 -1.113 2.887 1.00 1.23 C ATOM 190 CG2 ILE A 12 -8.593 -3.161 3.809 1.00 75.45 C ATOM 191 CD1 ILE A 12 -10.059 -1.739 1.524 1.00 3.41 C ATOM 0 H ILE A 12 -7.197 -2.325 5.978 1.00 62.32 H new ATOM 0 HA ILE A 12 -8.177 0.190 4.735 1.00 41.45 H new ATOM 0 HB ILE A 12 -7.675 -1.409 3.021 1.00 43.42 H new ATOM 0 HG12 ILE A 12 -10.695 -1.302 3.514 1.00 1.23 H new ATOM 0 HG13 ILE A 12 -9.746 -0.032 2.766 1.00 1.23 H new ATOM 0 HG21 ILE A 12 -8.729 -3.636 2.837 1.00 75.45 H new ATOM 0 HG22 ILE A 12 -7.657 -3.502 4.252 1.00 75.45 H new ATOM 0 HG23 ILE A 12 -9.423 -3.429 4.463 1.00 75.45 H new ATOM 0 HD11 ILE A 12 -10.965 -1.322 1.084 1.00 3.41 H new ATOM 0 HD12 ILE A 12 -9.209 -1.528 0.875 1.00 3.41 H new ATOM 0 HD13 ILE A 12 -10.173 -2.817 1.634 1.00 3.41 H new ATOM 203 N THR A 13 -10.303 0.203 6.029 1.00 52.23 N ATOM 204 CA THR A 13 -11.544 0.307 6.799 1.00 33.21 C ATOM 205 C THR A 13 -12.751 0.238 5.833 1.00 55.43 C ATOM 206 O THR A 13 -12.933 1.127 4.988 1.00 73.00 O ATOM 207 CB THR A 13 -11.557 1.635 7.632 1.00 53.12 C ATOM 208 OG1 THR A 13 -10.295 1.783 8.319 1.00 14.41 O ATOM 209 CG2 THR A 13 -12.695 1.666 8.672 1.00 75.34 C ATOM 0 H THR A 13 -10.008 1.086 5.613 1.00 52.23 H new ATOM 0 HA THR A 13 -11.611 -0.524 7.502 1.00 33.21 H new ATOM 0 HB THR A 13 -11.720 2.455 6.932 1.00 53.12 H new ATOM 0 HG1 THR A 13 -10.301 2.614 8.839 1.00 14.41 H new ATOM 0 HG21 THR A 13 -12.660 2.606 9.222 1.00 75.34 H new ATOM 0 HG22 THR A 13 -13.655 1.579 8.163 1.00 75.34 H new ATOM 0 HG23 THR A 13 -12.576 0.835 9.367 1.00 75.34 H new ATOM 217 N CYS A 14 -13.535 -0.848 5.950 1.00 13.55 N ATOM 218 CA CYS A 14 -14.743 -1.115 5.132 1.00 44.11 C ATOM 219 C CYS A 14 -15.697 -2.021 5.934 1.00 44.23 C ATOM 220 O CYS A 14 -15.229 -2.790 6.773 1.00 53.24 O ATOM 221 CB CYS A 14 -14.365 -1.799 3.800 1.00 24.10 C ATOM 222 SG CYS A 14 -15.784 -2.412 2.819 1.00 35.02 S ATOM 0 H CYS A 14 -13.347 -1.585 6.630 1.00 13.55 H new ATOM 0 HA CYS A 14 -15.232 -0.169 4.899 1.00 44.11 H new ATOM 0 HB2 CYS A 14 -13.800 -1.092 3.192 1.00 24.10 H new ATOM 0 HB3 CYS A 14 -13.701 -2.636 4.014 1.00 24.10 H new ATOM 227 N ASN A 15 -17.032 -1.898 5.689 1.00 62.20 N ATOM 228 CA ASN A 15 -18.096 -2.722 6.361 1.00 64.43 C ATOM 229 C ASN A 15 -18.240 -2.342 7.867 1.00 64.53 C ATOM 230 O ASN A 15 -18.916 -3.031 8.645 1.00 70.44 O ATOM 231 CB ASN A 15 -17.798 -4.257 6.166 1.00 42.41 C ATOM 232 CG ASN A 15 -18.897 -5.214 6.657 1.00 21.01 C ATOM 233 OD1 ASN A 15 -20.089 -4.909 6.587 1.00 15.13 O ATOM 234 ND2 ASN A 15 -18.499 -6.368 7.189 1.00 42.32 N ATOM 0 H ASN A 15 -17.408 -1.226 5.020 1.00 62.20 H new ATOM 0 HA ASN A 15 -19.055 -2.504 5.890 1.00 64.43 H new ATOM 0 HB2 ASN A 15 -17.625 -4.444 5.106 1.00 42.41 H new ATOM 0 HB3 ASN A 15 -16.872 -4.498 6.687 1.00 42.41 H new ATOM 0 HD21 ASN A 15 -19.188 -7.027 7.552 1.00 42.32 H new ATOM 0 HD22 ASN A 15 -17.505 -6.593 7.233 1.00 42.32 H new ATOM 241 N GLY A 16 -17.626 -1.207 8.261 1.00 15.43 N ATOM 242 CA GLY A 16 -17.524 -0.821 9.674 1.00 44.43 C ATOM 243 C GLY A 16 -16.433 -1.595 10.409 1.00 53.22 C ATOM 244 O GLY A 16 -16.256 -1.439 11.620 1.00 32.21 O ATOM 0 H GLY A 16 -17.195 -0.545 7.616 1.00 15.43 H new ATOM 0 HA2 GLY A 16 -17.317 0.247 9.742 1.00 44.43 H new ATOM 0 HA3 GLY A 16 -18.482 -0.993 10.165 1.00 44.43 H new ATOM 248 N LYS A 17 -15.684 -2.411 9.656 1.00 11.31 N ATOM 249 CA LYS A 17 -14.591 -3.244 10.166 1.00 13.45 C ATOM 250 C LYS A 17 -13.260 -2.749 9.593 1.00 54.31 C ATOM 251 O LYS A 17 -13.238 -1.949 8.656 1.00 14.42 O ATOM 252 CB LYS A 17 -14.831 -4.738 9.780 1.00 73.21 C ATOM 253 CG LYS A 17 -16.087 -5.418 10.409 1.00 35.32 C ATOM 254 CD LYS A 17 -15.844 -6.080 11.800 1.00 44.24 C ATOM 255 CE LYS A 17 -15.431 -5.094 12.905 1.00 3.13 C ATOM 256 NZ LYS A 17 -15.272 -5.759 14.232 1.00 14.14 N ATOM 0 H LYS A 17 -15.826 -2.511 8.651 1.00 11.31 H new ATOM 0 HA LYS A 17 -14.557 -3.171 11.253 1.00 13.45 H new ATOM 0 HB2 LYS A 17 -14.913 -4.803 8.695 1.00 73.21 H new ATOM 0 HB3 LYS A 17 -13.950 -5.312 10.068 1.00 73.21 H new ATOM 0 HG2 LYS A 17 -16.875 -4.671 10.510 1.00 35.32 H new ATOM 0 HG3 LYS A 17 -16.455 -6.178 9.720 1.00 35.32 H new ATOM 0 HD2 LYS A 17 -16.754 -6.594 12.109 1.00 44.24 H new ATOM 0 HD3 LYS A 17 -15.068 -6.839 11.698 1.00 44.24 H new ATOM 0 HE2 LYS A 17 -14.492 -4.614 12.628 1.00 3.13 H new ATOM 0 HE3 LYS A 17 -16.180 -4.306 12.984 1.00 3.13 H new ATOM 0 HZ1 LYS A 17 -14.993 -5.053 14.943 1.00 14.14 H new ATOM 0 HZ2 LYS A 17 -16.174 -6.195 14.512 1.00 14.14 H new ATOM 0 HZ3 LYS A 17 -14.538 -6.493 14.167 1.00 14.14 H new ATOM 270 N THR A 18 -12.152 -3.208 10.182 1.00 43.40 N ATOM 271 CA THR A 18 -10.804 -2.931 9.684 1.00 2.40 C ATOM 272 C THR A 18 -10.113 -4.254 9.330 1.00 63.40 C ATOM 273 O THR A 18 -9.876 -5.104 10.197 1.00 32.11 O ATOM 274 CB THR A 18 -9.970 -2.126 10.735 1.00 14.32 C ATOM 275 OG1 THR A 18 -10.695 -0.938 11.110 1.00 20.43 O ATOM 276 CG2 THR A 18 -8.591 -1.711 10.190 1.00 71.10 C ATOM 0 H THR A 18 -12.166 -3.786 11.023 1.00 43.40 H new ATOM 0 HA THR A 18 -10.876 -2.315 8.788 1.00 2.40 H new ATOM 0 HB THR A 18 -9.812 -2.777 11.595 1.00 14.32 H new ATOM 0 HG1 THR A 18 -10.176 -0.432 11.770 1.00 20.43 H new ATOM 0 HG21 THR A 18 -8.050 -1.155 10.955 1.00 71.10 H new ATOM 0 HG22 THR A 18 -8.024 -2.602 9.919 1.00 71.10 H new ATOM 0 HG23 THR A 18 -8.722 -1.082 9.309 1.00 71.10 H new ATOM 284 N TYR A 19 -9.817 -4.417 8.044 1.00 73.14 N ATOM 285 CA TYR A 19 -9.172 -5.606 7.501 1.00 55.52 C ATOM 286 C TYR A 19 -7.713 -5.245 7.237 1.00 63.01 C ATOM 287 O TYR A 19 -7.418 -4.478 6.316 1.00 23.23 O ATOM 288 CB TYR A 19 -9.880 -6.047 6.193 1.00 42.50 C ATOM 289 CG TYR A 19 -11.394 -6.248 6.345 1.00 62.15 C ATOM 290 CD1 TYR A 19 -11.921 -7.424 6.883 1.00 22.12 C ATOM 291 CD2 TYR A 19 -12.298 -5.261 5.937 1.00 20.21 C ATOM 292 CE1 TYR A 19 -13.290 -7.606 7.012 1.00 71.25 C ATOM 293 CE2 TYR A 19 -13.663 -5.441 6.065 1.00 1.33 C ATOM 294 CZ TYR A 19 -14.158 -6.612 6.597 1.00 50.14 C ATOM 295 OH TYR A 19 -15.525 -6.790 6.718 1.00 41.23 O ATOM 0 H TYR A 19 -10.023 -3.712 7.337 1.00 73.14 H new ATOM 0 HA TYR A 19 -9.234 -6.440 8.200 1.00 55.52 H new ATOM 0 HB2 TYR A 19 -9.698 -5.298 5.422 1.00 42.50 H new ATOM 0 HB3 TYR A 19 -9.433 -6.978 5.845 1.00 42.50 H new ATOM 0 HD1 TYR A 19 -11.250 -8.207 7.205 1.00 22.12 H new ATOM 0 HD2 TYR A 19 -11.922 -4.341 5.514 1.00 20.21 H new ATOM 0 HE1 TYR A 19 -13.677 -8.521 7.435 1.00 71.25 H new ATOM 0 HE2 TYR A 19 -14.342 -4.663 5.748 1.00 1.33 H new ATOM 0 HH TYR A 19 -15.705 -7.543 7.319 1.00 41.23 H new ATOM 305 N GLU A 20 -6.800 -5.740 8.073 1.00 33.43 N ATOM 306 CA GLU A 20 -5.382 -5.384 7.958 1.00 55.43 C ATOM 307 C GLU A 20 -4.467 -6.556 8.279 1.00 30.24 C ATOM 308 O GLU A 20 -4.881 -7.553 8.879 1.00 23.51 O ATOM 309 CB GLU A 20 -5.056 -4.165 8.853 1.00 71.20 C ATOM 310 CG GLU A 20 -5.201 -4.383 10.367 1.00 13.53 C ATOM 311 CD GLU A 20 -4.875 -3.113 11.162 1.00 55.30 C ATOM 312 OE1 GLU A 20 -3.732 -2.614 11.048 1.00 24.44 O ATOM 313 OE2 GLU A 20 -5.747 -2.599 11.900 1.00 52.14 O ATOM 0 H GLU A 20 -7.013 -6.385 8.834 1.00 33.43 H new ATOM 0 HA GLU A 20 -5.197 -5.114 6.918 1.00 55.43 H new ATOM 0 HB2 GLU A 20 -4.032 -3.852 8.647 1.00 71.20 H new ATOM 0 HB3 GLU A 20 -5.706 -3.341 8.561 1.00 71.20 H new ATOM 0 HG2 GLU A 20 -6.219 -4.701 10.592 1.00 13.53 H new ATOM 0 HG3 GLU A 20 -4.538 -5.189 10.683 1.00 13.53 H new ATOM 320 N ARG A 21 -3.226 -6.407 7.825 1.00 64.53 N ATOM 321 CA ARG A 21 -2.137 -7.352 8.059 1.00 64.12 C ATOM 322 C ARG A 21 -0.825 -6.673 7.658 1.00 21.10 C ATOM 323 O ARG A 21 -0.813 -5.802 6.778 1.00 44.11 O ATOM 324 CB ARG A 21 -2.345 -8.669 7.249 1.00 0.32 C ATOM 325 CG ARG A 21 -1.231 -9.729 7.424 1.00 34.21 C ATOM 326 CD ARG A 21 -1.421 -10.959 6.531 1.00 71.12 C ATOM 327 NE ARG A 21 -2.713 -11.638 6.757 1.00 53.33 N ATOM 328 CZ ARG A 21 -3.100 -12.769 6.141 1.00 74.52 C ATOM 329 NH1 ARG A 21 -2.315 -13.369 5.245 1.00 73.25 N ATOM 330 NH2 ARG A 21 -4.276 -13.308 6.443 1.00 54.11 N ATOM 0 H ARG A 21 -2.941 -5.602 7.268 1.00 64.53 H new ATOM 0 HA ARG A 21 -2.113 -7.628 9.113 1.00 64.12 H new ATOM 0 HB2 ARG A 21 -3.296 -9.112 7.543 1.00 0.32 H new ATOM 0 HB3 ARG A 21 -2.424 -8.418 6.191 1.00 0.32 H new ATOM 0 HG2 ARG A 21 -0.266 -9.273 7.202 1.00 34.21 H new ATOM 0 HG3 ARG A 21 -1.201 -10.046 8.466 1.00 34.21 H new ATOM 0 HD2 ARG A 21 -1.353 -10.657 5.486 1.00 71.12 H new ATOM 0 HD3 ARG A 21 -0.609 -11.663 6.713 1.00 71.12 H new ATOM 0 HE ARG A 21 -3.357 -11.219 7.428 1.00 53.33 H new ATOM 0 HH11 ARG A 21 -1.404 -12.970 5.017 1.00 73.25 H new ATOM 0 HH12 ARG A 21 -2.625 -14.226 4.788 1.00 73.25 H new ATOM 0 HH21 ARG A 21 -4.877 -12.864 7.137 1.00 54.11 H new ATOM 0 HH22 ARG A 21 -4.578 -14.166 5.981 1.00 54.11 H new ATOM 344 N THR A 22 0.258 -7.028 8.345 1.00 14.14 N ATOM 345 CA THR A 22 1.606 -6.647 7.952 1.00 40.51 C ATOM 346 C THR A 22 2.166 -7.783 7.067 1.00 25.53 C ATOM 347 O THR A 22 2.327 -8.917 7.533 1.00 21.14 O ATOM 348 CB THR A 22 2.485 -6.393 9.219 1.00 52.24 C ATOM 349 OG1 THR A 22 1.818 -5.465 10.100 1.00 13.13 O ATOM 350 CG2 THR A 22 3.864 -5.834 8.867 1.00 22.11 C ATOM 0 H THR A 22 0.221 -7.591 9.195 1.00 14.14 H new ATOM 0 HA THR A 22 1.608 -5.716 7.385 1.00 40.51 H new ATOM 0 HB THR A 22 2.625 -7.357 9.709 1.00 52.24 H new ATOM 0 HG1 THR A 22 2.373 -5.311 10.893 1.00 13.13 H new ATOM 0 HG21 THR A 22 4.436 -5.675 9.781 1.00 22.11 H new ATOM 0 HG22 THR A 22 4.391 -6.542 8.228 1.00 22.11 H new ATOM 0 HG23 THR A 22 3.749 -4.886 8.341 1.00 22.11 H new ATOM 358 N TYR A 23 2.379 -7.480 5.779 1.00 14.32 N ATOM 359 CA TYR A 23 2.775 -8.463 4.754 1.00 74.04 C ATOM 360 C TYR A 23 4.292 -8.420 4.549 1.00 31.14 C ATOM 361 O TYR A 23 4.852 -7.362 4.277 1.00 70.14 O ATOM 362 CB TYR A 23 2.066 -8.146 3.404 1.00 42.32 C ATOM 363 CG TYR A 23 0.531 -8.153 3.479 1.00 0.15 C ATOM 364 CD1 TYR A 23 -0.175 -7.009 3.860 1.00 54.33 C ATOM 365 CD2 TYR A 23 -0.211 -9.296 3.170 1.00 73.04 C ATOM 366 CE1 TYR A 23 -1.552 -7.012 3.947 1.00 0.11 C ATOM 367 CE2 TYR A 23 -1.589 -9.298 3.251 1.00 13.32 C ATOM 368 CZ TYR A 23 -2.253 -8.153 3.637 1.00 12.50 C ATOM 369 OH TYR A 23 -3.621 -8.161 3.738 1.00 53.22 O ATOM 0 H TYR A 23 2.280 -6.533 5.412 1.00 14.32 H new ATOM 0 HA TYR A 23 2.480 -9.456 5.092 1.00 74.04 H new ATOM 0 HB2 TYR A 23 2.397 -7.168 3.054 1.00 42.32 H new ATOM 0 HB3 TYR A 23 2.385 -8.875 2.659 1.00 42.32 H new ATOM 0 HD1 TYR A 23 0.368 -6.104 4.091 1.00 54.33 H new ATOM 0 HD2 TYR A 23 0.303 -10.194 2.862 1.00 73.04 H new ATOM 0 HE1 TYR A 23 -2.077 -6.121 4.258 1.00 0.11 H new ATOM 0 HE2 TYR A 23 -2.145 -10.193 3.013 1.00 13.32 H new ATOM 0 HH TYR A 23 -3.963 -9.043 3.482 1.00 53.22 H new ATOM 379 N GLN A 24 4.934 -9.586 4.646 1.00 14.20 N ATOM 380 CA GLN A 24 6.378 -9.705 4.432 1.00 44.13 C ATOM 381 C GLN A 24 6.612 -9.833 2.918 1.00 21.42 C ATOM 382 O GLN A 24 6.323 -10.872 2.322 1.00 73.24 O ATOM 383 CB GLN A 24 6.964 -10.929 5.205 1.00 41.42 C ATOM 384 CG GLN A 24 7.008 -10.791 6.752 1.00 73.54 C ATOM 385 CD GLN A 24 5.634 -10.707 7.430 1.00 31.01 C ATOM 386 OE1 GLN A 24 5.031 -11.721 7.779 1.00 64.33 O ATOM 387 NE2 GLN A 24 5.136 -9.501 7.641 1.00 31.23 N ATOM 0 H GLN A 24 4.473 -10.467 4.873 1.00 14.20 H new ATOM 0 HA GLN A 24 6.892 -8.824 4.817 1.00 44.13 H new ATOM 0 HB2 GLN A 24 6.374 -11.810 4.954 1.00 41.42 H new ATOM 0 HB3 GLN A 24 7.977 -11.111 4.846 1.00 41.42 H new ATOM 0 HG2 GLN A 24 7.549 -11.643 7.163 1.00 73.54 H new ATOM 0 HG3 GLN A 24 7.579 -9.898 7.007 1.00 73.54 H new ATOM 0 HE21 GLN A 24 5.655 -8.675 7.342 1.00 31.23 H new ATOM 0 HE22 GLN A 24 4.232 -9.396 8.103 1.00 31.23 H new ATOM 396 N LEU A 25 7.111 -8.750 2.315 1.00 51.43 N ATOM 397 CA LEU A 25 7.397 -8.661 0.874 1.00 43.24 C ATOM 398 C LEU A 25 8.911 -8.549 0.690 1.00 53.33 C ATOM 399 O LEU A 25 9.535 -7.627 1.217 1.00 41.05 O ATOM 400 CB LEU A 25 6.669 -7.428 0.250 1.00 63.52 C ATOM 401 CG LEU A 25 5.111 -7.401 0.398 1.00 2.34 C ATOM 402 CD1 LEU A 25 4.508 -6.151 -0.274 1.00 71.23 C ATOM 403 CD2 LEU A 25 4.462 -8.692 -0.150 1.00 52.42 C ATOM 0 H LEU A 25 7.333 -7.893 2.821 1.00 51.43 H new ATOM 0 HA LEU A 25 7.031 -9.552 0.364 1.00 43.24 H new ATOM 0 HB2 LEU A 25 7.073 -6.524 0.706 1.00 63.52 H new ATOM 0 HB3 LEU A 25 6.914 -7.386 -0.811 1.00 63.52 H new ATOM 0 HG LEU A 25 4.889 -7.350 1.464 1.00 2.34 H new ATOM 0 HD11 LEU A 25 3.425 -6.161 -0.154 1.00 71.23 H new ATOM 0 HD12 LEU A 25 4.917 -5.254 0.192 1.00 71.23 H new ATOM 0 HD13 LEU A 25 4.756 -6.153 -1.335 1.00 71.23 H new ATOM 0 HD21 LEU A 25 3.380 -8.635 -0.029 1.00 52.42 H new ATOM 0 HD22 LEU A 25 4.704 -8.800 -1.207 1.00 52.42 H new ATOM 0 HD23 LEU A 25 4.843 -9.553 0.400 1.00 52.42 H new ATOM 415 N TYR A 26 9.507 -9.508 -0.021 1.00 53.23 N ATOM 416 CA TYR A 26 10.956 -9.554 -0.243 1.00 62.24 C ATOM 417 C TYR A 26 11.247 -9.218 -1.706 1.00 11.42 C ATOM 418 O TYR A 26 10.786 -9.928 -2.612 1.00 51.02 O ATOM 419 CB TYR A 26 11.490 -10.959 0.122 1.00 2.54 C ATOM 420 CG TYR A 26 13.017 -11.092 0.077 1.00 61.42 C ATOM 421 CD1 TYR A 26 13.800 -10.667 1.148 1.00 70.53 C ATOM 422 CD2 TYR A 26 13.674 -11.646 -1.025 1.00 51.03 C ATOM 423 CE1 TYR A 26 15.173 -10.795 1.127 1.00 33.03 C ATOM 424 CE2 TYR A 26 15.049 -11.771 -1.051 1.00 3.32 C ATOM 425 CZ TYR A 26 15.793 -11.347 0.026 1.00 75.54 C ATOM 426 OH TYR A 26 17.168 -11.481 0.007 1.00 43.25 O ATOM 0 H TYR A 26 8.999 -10.276 -0.460 1.00 53.23 H new ATOM 0 HA TYR A 26 11.459 -8.823 0.390 1.00 62.24 H new ATOM 0 HB2 TYR A 26 11.145 -11.216 1.124 1.00 2.54 H new ATOM 0 HB3 TYR A 26 11.054 -11.688 -0.561 1.00 2.54 H new ATOM 0 HD1 TYR A 26 13.322 -10.229 2.012 1.00 70.53 H new ATOM 0 HD2 TYR A 26 13.095 -11.983 -1.872 1.00 51.03 H new ATOM 0 HE1 TYR A 26 15.761 -10.464 1.970 1.00 33.03 H new ATOM 0 HE2 TYR A 26 15.538 -12.200 -1.913 1.00 3.32 H new ATOM 0 HH TYR A 26 17.445 -11.889 -0.840 1.00 43.25 H new ATOM 436 N ALA A 27 11.997 -8.131 -1.930 1.00 25.54 N ATOM 437 CA ALA A 27 12.394 -7.691 -3.269 1.00 23.30 C ATOM 438 C ALA A 27 13.908 -7.557 -3.348 1.00 4.14 C ATOM 439 O ALA A 27 14.567 -7.297 -2.337 1.00 31.20 O ATOM 440 CB ALA A 27 11.713 -6.366 -3.629 1.00 50.14 C ATOM 0 H ALA A 27 12.346 -7.531 -1.182 1.00 25.54 H new ATOM 0 HA ALA A 27 12.073 -8.441 -3.991 1.00 23.30 H new ATOM 0 HB1 ALA A 27 12.022 -6.058 -4.628 1.00 50.14 H new ATOM 0 HB2 ALA A 27 10.631 -6.496 -3.608 1.00 50.14 H new ATOM 0 HB3 ALA A 27 12.001 -5.601 -2.908 1.00 50.14 H new ATOM 446 N VAL A 28 14.441 -7.763 -4.559 1.00 53.23 N ATOM 447 CA VAL A 28 15.872 -7.580 -4.870 1.00 22.44 C ATOM 448 C VAL A 28 16.098 -6.160 -5.448 1.00 20.55 C ATOM 449 O VAL A 28 17.192 -5.589 -5.355 1.00 21.04 O ATOM 450 CB VAL A 28 16.354 -8.690 -5.885 1.00 60.14 C ATOM 451 CG1 VAL A 28 17.868 -8.605 -6.176 1.00 1.13 C ATOM 452 CG2 VAL A 28 15.967 -10.107 -5.380 1.00 75.11 C ATOM 0 H VAL A 28 13.888 -8.065 -5.362 1.00 53.23 H new ATOM 0 HA VAL A 28 16.460 -7.681 -3.958 1.00 22.44 H new ATOM 0 HB VAL A 28 15.839 -8.503 -6.827 1.00 60.14 H new ATOM 0 HG11 VAL A 28 18.148 -9.390 -6.879 1.00 1.13 H new ATOM 0 HG12 VAL A 28 18.102 -7.631 -6.607 1.00 1.13 H new ATOM 0 HG13 VAL A 28 18.425 -8.734 -5.248 1.00 1.13 H new ATOM 0 HG21 VAL A 28 16.309 -10.854 -6.096 1.00 75.11 H new ATOM 0 HG22 VAL A 28 16.436 -10.289 -4.413 1.00 75.11 H new ATOM 0 HG23 VAL A 28 14.884 -10.173 -5.277 1.00 75.11 H new ATOM 462 N ARG A 29 15.038 -5.605 -6.062 1.00 62.24 N ATOM 463 CA ARG A 29 15.008 -4.219 -6.585 1.00 33.34 C ATOM 464 C ARG A 29 13.709 -3.548 -6.094 1.00 41.04 C ATOM 465 O ARG A 29 12.732 -4.246 -5.794 1.00 12.00 O ATOM 466 CB ARG A 29 15.065 -4.219 -8.148 1.00 1.12 C ATOM 467 CG ARG A 29 16.194 -5.088 -8.751 1.00 14.31 C ATOM 468 CD ARG A 29 16.151 -5.170 -10.289 1.00 73.01 C ATOM 469 NE ARG A 29 17.203 -6.064 -10.814 1.00 4.03 N ATOM 470 CZ ARG A 29 17.502 -6.226 -12.114 1.00 43.13 C ATOM 471 NH1 ARG A 29 16.843 -5.549 -13.061 1.00 52.23 N ATOM 472 NH2 ARG A 29 18.470 -7.069 -12.459 1.00 51.23 N ATOM 0 H ARG A 29 14.164 -6.110 -6.213 1.00 62.24 H new ATOM 0 HA ARG A 29 15.875 -3.667 -6.223 1.00 33.34 H new ATOM 0 HB2 ARG A 29 14.108 -4.571 -8.533 1.00 1.12 H new ATOM 0 HB3 ARG A 29 15.190 -3.193 -8.494 1.00 1.12 H new ATOM 0 HG2 ARG A 29 17.158 -4.682 -8.443 1.00 14.31 H new ATOM 0 HG3 ARG A 29 16.126 -6.095 -8.339 1.00 14.31 H new ATOM 0 HD2 ARG A 29 15.173 -5.531 -10.608 1.00 73.01 H new ATOM 0 HD3 ARG A 29 16.276 -4.173 -10.711 1.00 73.01 H new ATOM 0 HE ARG A 29 17.745 -6.600 -10.137 1.00 4.03 H new ATOM 0 HH11 ARG A 29 16.102 -4.899 -12.801 1.00 52.23 H new ATOM 0 HH12 ARG A 29 17.082 -5.683 -14.044 1.00 52.23 H new ATOM 0 HH21 ARG A 29 18.977 -7.585 -11.740 1.00 51.23 H new ATOM 0 HH22 ARG A 29 18.706 -7.200 -13.443 1.00 51.23 H new ATOM 486 N ASP A 30 13.684 -2.200 -6.036 1.00 43.53 N ATOM 487 CA ASP A 30 12.505 -1.438 -5.544 1.00 24.41 C ATOM 488 C ASP A 30 11.312 -1.580 -6.511 1.00 32.32 C ATOM 489 O ASP A 30 10.154 -1.598 -6.097 1.00 11.31 O ATOM 490 CB ASP A 30 12.853 0.060 -5.361 1.00 62.41 C ATOM 491 CG ASP A 30 14.116 0.272 -4.518 1.00 63.14 C ATOM 492 OD1 ASP A 30 14.046 0.161 -3.284 1.00 60.04 O ATOM 493 OD2 ASP A 30 15.202 0.518 -5.092 1.00 64.14 O ATOM 0 H ASP A 30 14.466 -1.611 -6.323 1.00 43.53 H new ATOM 0 HA ASP A 30 12.224 -1.856 -4.577 1.00 24.41 H new ATOM 0 HB2 ASP A 30 12.992 0.519 -6.340 1.00 62.41 H new ATOM 0 HB3 ASP A 30 12.014 0.569 -4.887 1.00 62.41 H new ATOM 498 N GLU A 31 11.631 -1.695 -7.806 1.00 65.41 N ATOM 499 CA GLU A 31 10.646 -1.828 -8.890 1.00 12.44 C ATOM 500 C GLU A 31 9.947 -3.206 -8.849 1.00 73.42 C ATOM 501 O GLU A 31 8.832 -3.352 -9.352 1.00 63.14 O ATOM 502 CB GLU A 31 11.365 -1.572 -10.242 1.00 43.20 C ATOM 503 CG GLU A 31 10.447 -1.540 -11.476 1.00 54.43 C ATOM 504 CD GLU A 31 11.161 -1.038 -12.737 1.00 32.04 C ATOM 505 OE1 GLU A 31 11.831 -1.849 -13.414 1.00 11.31 O ATOM 506 OE2 GLU A 31 11.057 0.171 -13.054 1.00 71.24 O ATOM 0 H GLU A 31 12.596 -1.698 -8.137 1.00 65.41 H new ATOM 0 HA GLU A 31 9.855 -1.089 -8.765 1.00 12.44 H new ATOM 0 HB2 GLU A 31 11.896 -0.622 -10.179 1.00 43.20 H new ATOM 0 HB3 GLU A 31 12.117 -2.348 -10.388 1.00 43.20 H new ATOM 0 HG2 GLU A 31 10.058 -2.541 -11.659 1.00 54.43 H new ATOM 0 HG3 GLU A 31 9.591 -0.898 -11.269 1.00 54.43 H new ATOM 513 N GLU A 32 10.593 -4.196 -8.194 1.00 11.12 N ATOM 514 CA GLU A 32 9.999 -5.537 -7.974 1.00 4.12 C ATOM 515 C GLU A 32 8.825 -5.459 -6.982 1.00 52.12 C ATOM 516 O GLU A 32 7.948 -6.322 -6.987 1.00 21.42 O ATOM 517 CB GLU A 32 11.049 -6.548 -7.442 1.00 10.24 C ATOM 518 CG GLU A 32 12.323 -6.689 -8.293 1.00 20.23 C ATOM 519 CD GLU A 32 12.055 -7.080 -9.752 1.00 53.31 C ATOM 520 OE1 GLU A 32 11.697 -8.249 -10.000 1.00 41.03 O ATOM 521 OE2 GLU A 32 12.207 -6.223 -10.659 1.00 73.01 O ATOM 0 H GLU A 32 11.531 -4.092 -7.806 1.00 11.12 H new ATOM 0 HA GLU A 32 9.637 -5.886 -8.941 1.00 4.12 H new ATOM 0 HB2 GLU A 32 11.337 -6.249 -6.434 1.00 10.24 H new ATOM 0 HB3 GLU A 32 10.577 -7.527 -7.361 1.00 10.24 H new ATOM 0 HG2 GLU A 32 12.867 -5.745 -8.274 1.00 20.23 H new ATOM 0 HG3 GLU A 32 12.970 -7.439 -7.839 1.00 20.23 H new ATOM 528 N LEU A 33 8.827 -4.414 -6.132 1.00 13.43 N ATOM 529 CA LEU A 33 7.805 -4.222 -5.082 1.00 44.22 C ATOM 530 C LEU A 33 6.448 -3.777 -5.693 1.00 64.55 C ATOM 531 O LEU A 33 5.410 -3.928 -5.044 1.00 65.21 O ATOM 532 CB LEU A 33 8.327 -3.195 -4.005 1.00 22.40 C ATOM 533 CG LEU A 33 8.153 -3.599 -2.497 1.00 61.20 C ATOM 534 CD1 LEU A 33 6.679 -3.720 -2.080 1.00 64.11 C ATOM 535 CD2 LEU A 33 8.912 -4.902 -2.183 1.00 24.03 C ATOM 0 H LEU A 33 9.535 -3.680 -6.153 1.00 13.43 H new ATOM 0 HA LEU A 33 7.629 -5.176 -4.585 1.00 44.22 H new ATOM 0 HB2 LEU A 33 9.387 -3.019 -4.189 1.00 22.40 H new ATOM 0 HB3 LEU A 33 7.814 -2.246 -4.164 1.00 22.40 H new ATOM 0 HG LEU A 33 8.585 -2.789 -1.909 1.00 61.20 H new ATOM 0 HD11 LEU A 33 6.620 -4.001 -1.029 1.00 64.11 H new ATOM 0 HD12 LEU A 33 6.179 -2.763 -2.228 1.00 64.11 H new ATOM 0 HD13 LEU A 33 6.190 -4.482 -2.687 1.00 64.11 H new ATOM 0 HD21 LEU A 33 8.775 -5.159 -1.133 1.00 24.03 H new ATOM 0 HD22 LEU A 33 8.525 -5.708 -2.807 1.00 24.03 H new ATOM 0 HD23 LEU A 33 9.974 -4.763 -2.387 1.00 24.03 H new ATOM 547 N LYS A 34 6.480 -3.250 -6.944 1.00 33.33 N ATOM 548 CA LYS A 34 5.273 -2.801 -7.678 1.00 42.25 C ATOM 549 C LYS A 34 4.214 -3.925 -7.773 1.00 24.14 C ATOM 550 O LYS A 34 3.101 -3.763 -7.273 1.00 0.20 O ATOM 551 CB LYS A 34 5.651 -2.287 -9.106 1.00 61.41 C ATOM 552 CG LYS A 34 6.248 -0.858 -9.157 1.00 5.24 C ATOM 553 CD LYS A 34 6.836 -0.496 -10.545 1.00 74.33 C ATOM 554 CE LYS A 34 5.872 -0.761 -11.721 1.00 34.41 C ATOM 555 NZ LYS A 34 4.623 0.043 -11.634 1.00 43.44 N ATOM 0 H LYS A 34 7.345 -3.125 -7.470 1.00 33.33 H new ATOM 0 HA LYS A 34 4.836 -1.977 -7.114 1.00 42.25 H new ATOM 0 HB2 LYS A 34 6.369 -2.979 -9.545 1.00 61.41 H new ATOM 0 HB3 LYS A 34 4.759 -2.313 -9.732 1.00 61.41 H new ATOM 0 HG2 LYS A 34 5.473 -0.137 -8.898 1.00 5.24 H new ATOM 0 HG3 LYS A 34 7.030 -0.770 -8.403 1.00 5.24 H new ATOM 0 HD2 LYS A 34 7.115 0.558 -10.547 1.00 74.33 H new ATOM 0 HD3 LYS A 34 7.751 -1.068 -10.702 1.00 74.33 H new ATOM 0 HE2 LYS A 34 6.379 -0.535 -12.659 1.00 34.41 H new ATOM 0 HE3 LYS A 34 5.616 -1.820 -11.744 1.00 34.41 H new ATOM 0 HZ1 LYS A 34 4.417 0.466 -12.561 1.00 43.44 H new ATOM 0 HZ2 LYS A 34 3.833 -0.572 -11.351 1.00 43.44 H new ATOM 0 HZ3 LYS A 34 4.744 0.797 -10.928 1.00 43.44 H new ATOM 569 N GLU A 35 4.599 -5.066 -8.388 1.00 54.33 N ATOM 570 CA GLU A 35 3.704 -6.226 -8.611 1.00 34.12 C ATOM 571 C GLU A 35 3.109 -6.769 -7.303 1.00 10.14 C ATOM 572 O GLU A 35 1.946 -7.204 -7.268 1.00 12.41 O ATOM 573 CB GLU A 35 4.457 -7.375 -9.342 1.00 4.25 C ATOM 574 CG GLU A 35 5.685 -7.948 -8.586 1.00 11.25 C ATOM 575 CD GLU A 35 6.084 -9.357 -9.042 1.00 11.24 C ATOM 576 OE1 GLU A 35 6.596 -9.509 -10.173 1.00 4.22 O ATOM 577 OE2 GLU A 35 5.887 -10.321 -8.268 1.00 30.52 O ATOM 0 H GLU A 35 5.543 -5.209 -8.746 1.00 54.33 H new ATOM 0 HA GLU A 35 2.885 -5.865 -9.233 1.00 34.12 H new ATOM 0 HB2 GLU A 35 3.754 -8.187 -9.528 1.00 4.25 H new ATOM 0 HB3 GLU A 35 4.787 -7.010 -10.314 1.00 4.25 H new ATOM 0 HG2 GLU A 35 6.532 -7.277 -8.725 1.00 11.25 H new ATOM 0 HG3 GLU A 35 5.467 -7.969 -7.518 1.00 11.25 H new ATOM 584 N LYS A 36 3.928 -6.733 -6.243 1.00 73.42 N ATOM 585 CA LYS A 36 3.571 -7.254 -4.923 1.00 55.11 C ATOM 586 C LYS A 36 2.452 -6.399 -4.308 1.00 32.12 C ATOM 587 O LYS A 36 1.471 -6.934 -3.803 1.00 2.55 O ATOM 588 CB LYS A 36 4.827 -7.264 -4.008 1.00 63.53 C ATOM 589 CG LYS A 36 6.029 -8.047 -4.591 1.00 12.33 C ATOM 590 CD LYS A 36 7.311 -7.907 -3.737 1.00 50.31 C ATOM 591 CE LYS A 36 8.552 -8.486 -4.442 1.00 4.43 C ATOM 592 NZ LYS A 36 8.469 -9.958 -4.627 1.00 43.33 N ATOM 0 H LYS A 36 4.867 -6.336 -6.282 1.00 73.42 H new ATOM 0 HA LYS A 36 3.205 -8.276 -5.021 1.00 55.11 H new ATOM 0 HB2 LYS A 36 5.134 -6.235 -3.820 1.00 63.53 H new ATOM 0 HB3 LYS A 36 4.558 -7.697 -3.045 1.00 63.53 H new ATOM 0 HG2 LYS A 36 5.765 -9.102 -4.670 1.00 12.33 H new ATOM 0 HG3 LYS A 36 6.231 -7.692 -5.602 1.00 12.33 H new ATOM 0 HD2 LYS A 36 7.482 -6.854 -3.513 1.00 50.31 H new ATOM 0 HD3 LYS A 36 7.167 -8.416 -2.784 1.00 50.31 H new ATOM 0 HE2 LYS A 36 8.669 -8.007 -5.414 1.00 4.43 H new ATOM 0 HE3 LYS A 36 9.441 -8.246 -3.859 1.00 4.43 H new ATOM 0 HZ1 LYS A 36 9.201 -10.422 -4.052 1.00 43.33 H new ATOM 0 HZ2 LYS A 36 7.531 -10.293 -4.328 1.00 43.33 H new ATOM 0 HZ3 LYS A 36 8.617 -10.191 -5.630 1.00 43.33 H new ATOM 606 N LEU A 37 2.616 -5.065 -4.389 1.00 34.24 N ATOM 607 CA LEU A 37 1.624 -4.095 -3.897 1.00 63.41 C ATOM 608 C LEU A 37 0.316 -4.160 -4.696 1.00 1.54 C ATOM 609 O LEU A 37 -0.756 -4.058 -4.110 1.00 24.13 O ATOM 610 CB LEU A 37 2.205 -2.660 -3.929 1.00 62.22 C ATOM 611 CG LEU A 37 3.391 -2.405 -2.963 1.00 35.03 C ATOM 612 CD1 LEU A 37 3.973 -0.994 -3.170 1.00 62.35 C ATOM 613 CD2 LEU A 37 2.967 -2.643 -1.496 1.00 2.35 C ATOM 0 H LEU A 37 3.443 -4.630 -4.799 1.00 34.24 H new ATOM 0 HA LEU A 37 1.393 -4.361 -2.865 1.00 63.41 H new ATOM 0 HB2 LEU A 37 2.532 -2.440 -4.945 1.00 62.22 H new ATOM 0 HB3 LEU A 37 1.407 -1.957 -3.692 1.00 62.22 H new ATOM 0 HG LEU A 37 4.182 -3.119 -3.192 1.00 35.03 H new ATOM 0 HD11 LEU A 37 4.803 -0.838 -2.481 1.00 62.35 H new ATOM 0 HD12 LEU A 37 4.328 -0.894 -4.196 1.00 62.35 H new ATOM 0 HD13 LEU A 37 3.200 -0.250 -2.980 1.00 62.35 H new ATOM 0 HD21 LEU A 37 3.816 -2.458 -0.837 1.00 2.35 H new ATOM 0 HD22 LEU A 37 2.153 -1.966 -1.238 1.00 2.35 H new ATOM 0 HD23 LEU A 37 2.633 -3.674 -1.376 1.00 2.35 H new ATOM 625 N LYS A 38 0.411 -4.325 -6.032 1.00 62.12 N ATOM 626 CA LYS A 38 -0.770 -4.461 -6.911 1.00 32.41 C ATOM 627 C LYS A 38 -1.614 -5.674 -6.501 1.00 13.20 C ATOM 628 O LYS A 38 -2.839 -5.589 -6.450 1.00 44.01 O ATOM 629 CB LYS A 38 -0.326 -4.583 -8.391 1.00 50.14 C ATOM 630 CG LYS A 38 0.410 -3.337 -8.926 1.00 4.30 C ATOM 631 CD LYS A 38 1.061 -3.577 -10.304 1.00 14.23 C ATOM 632 CE LYS A 38 0.039 -3.905 -11.404 1.00 54.13 C ATOM 633 NZ LYS A 38 0.702 -4.058 -12.726 1.00 0.25 N ATOM 0 H LYS A 38 1.301 -4.368 -6.529 1.00 62.12 H new ATOM 0 HA LYS A 38 -1.385 -3.567 -6.804 1.00 32.41 H new ATOM 0 HB2 LYS A 38 0.326 -5.451 -8.495 1.00 50.14 H new ATOM 0 HB3 LYS A 38 -1.204 -4.768 -9.010 1.00 50.14 H new ATOM 0 HG2 LYS A 38 -0.294 -2.508 -9.001 1.00 4.30 H new ATOM 0 HG3 LYS A 38 1.178 -3.039 -8.212 1.00 4.30 H new ATOM 0 HD2 LYS A 38 1.624 -2.690 -10.593 1.00 14.23 H new ATOM 0 HD3 LYS A 38 1.775 -4.396 -10.224 1.00 14.23 H new ATOM 0 HE2 LYS A 38 -0.489 -4.824 -11.151 1.00 54.13 H new ATOM 0 HE3 LYS A 38 -0.708 -3.113 -11.458 1.00 54.13 H new ATOM 0 HZ1 LYS A 38 -0.010 -4.296 -13.446 1.00 0.25 H new ATOM 0 HZ2 LYS A 38 1.171 -3.167 -12.984 1.00 0.25 H new ATOM 0 HZ3 LYS A 38 1.409 -4.819 -12.674 1.00 0.25 H new ATOM 647 N LYS A 39 -0.933 -6.794 -6.192 1.00 35.53 N ATOM 648 CA LYS A 39 -1.592 -8.015 -5.716 1.00 41.54 C ATOM 649 C LYS A 39 -2.203 -7.811 -4.319 1.00 74.20 C ATOM 650 O LYS A 39 -3.404 -7.978 -4.151 1.00 32.24 O ATOM 651 CB LYS A 39 -0.605 -9.227 -5.733 1.00 53.52 C ATOM 652 CG LYS A 39 -0.480 -9.919 -7.109 1.00 33.44 C ATOM 653 CD LYS A 39 -1.832 -10.512 -7.578 1.00 12.01 C ATOM 654 CE LYS A 39 -1.753 -11.142 -8.973 1.00 24.11 C ATOM 655 NZ LYS A 39 -1.364 -10.152 -10.003 1.00 54.44 N ATOM 0 H LYS A 39 0.081 -6.873 -6.266 1.00 35.53 H new ATOM 0 HA LYS A 39 -2.409 -8.242 -6.401 1.00 41.54 H new ATOM 0 HB2 LYS A 39 0.381 -8.883 -5.420 1.00 53.52 H new ATOM 0 HB3 LYS A 39 -0.935 -9.961 -4.998 1.00 53.52 H new ATOM 0 HG2 LYS A 39 -0.123 -9.200 -7.846 1.00 33.44 H new ATOM 0 HG3 LYS A 39 0.265 -10.713 -7.051 1.00 33.44 H new ATOM 0 HD2 LYS A 39 -2.161 -11.266 -6.862 1.00 12.01 H new ATOM 0 HD3 LYS A 39 -2.587 -9.725 -7.582 1.00 12.01 H new ATOM 0 HE2 LYS A 39 -1.031 -11.958 -8.963 1.00 24.11 H new ATOM 0 HE3 LYS A 39 -2.719 -11.575 -9.232 1.00 24.11 H new ATOM 0 HZ1 LYS A 39 -1.501 -10.563 -10.949 1.00 54.44 H new ATOM 0 HZ2 LYS A 39 -1.954 -9.301 -9.907 1.00 54.44 H new ATOM 0 HZ3 LYS A 39 -0.364 -9.896 -9.878 1.00 54.44 H new ATOM 669 N VAL A 40 -1.375 -7.420 -3.341 1.00 71.01 N ATOM 670 CA VAL A 40 -1.796 -7.276 -1.937 1.00 71.14 C ATOM 671 C VAL A 40 -2.999 -6.309 -1.801 1.00 41.45 C ATOM 672 O VAL A 40 -3.965 -6.629 -1.121 1.00 43.12 O ATOM 673 CB VAL A 40 -0.586 -6.813 -1.026 1.00 74.11 C ATOM 674 CG1 VAL A 40 -1.051 -6.430 0.391 1.00 61.34 C ATOM 675 CG2 VAL A 40 0.513 -7.910 -0.960 1.00 63.55 C ATOM 0 H VAL A 40 -0.393 -7.194 -3.499 1.00 71.01 H new ATOM 0 HA VAL A 40 -2.123 -8.256 -1.590 1.00 71.14 H new ATOM 0 HB VAL A 40 -0.159 -5.922 -1.487 1.00 74.11 H new ATOM 0 HG11 VAL A 40 -0.191 -6.118 0.984 1.00 61.34 H new ATOM 0 HG12 VAL A 40 -1.766 -5.610 0.330 1.00 61.34 H new ATOM 0 HG13 VAL A 40 -1.525 -7.290 0.863 1.00 61.34 H new ATOM 0 HG21 VAL A 40 1.332 -7.567 -0.328 1.00 63.55 H new ATOM 0 HG22 VAL A 40 0.090 -8.824 -0.542 1.00 63.55 H new ATOM 0 HG23 VAL A 40 0.888 -8.110 -1.964 1.00 63.55 H new ATOM 685 N LEU A 41 -2.944 -5.162 -2.500 1.00 63.45 N ATOM 686 CA LEU A 41 -4.022 -4.154 -2.477 1.00 21.55 C ATOM 687 C LEU A 41 -5.292 -4.674 -3.186 1.00 24.20 C ATOM 688 O LEU A 41 -6.333 -4.793 -2.549 1.00 24.53 O ATOM 689 CB LEU A 41 -3.535 -2.816 -3.112 1.00 32.25 C ATOM 690 CG LEU A 41 -2.491 -2.017 -2.269 1.00 40.44 C ATOM 691 CD1 LEU A 41 -1.899 -0.837 -3.071 1.00 31.04 C ATOM 692 CD2 LEU A 41 -3.115 -1.532 -0.947 1.00 70.24 C ATOM 0 H LEU A 41 -2.156 -4.907 -3.095 1.00 63.45 H new ATOM 0 HA LEU A 41 -4.282 -3.964 -1.436 1.00 21.55 H new ATOM 0 HB2 LEU A 41 -3.100 -3.033 -4.087 1.00 32.25 H new ATOM 0 HB3 LEU A 41 -4.402 -2.178 -3.285 1.00 32.25 H new ATOM 0 HG LEU A 41 -1.669 -2.692 -2.030 1.00 40.44 H new ATOM 0 HD11 LEU A 41 -1.177 -0.303 -2.453 1.00 31.04 H new ATOM 0 HD12 LEU A 41 -1.403 -1.217 -3.964 1.00 31.04 H new ATOM 0 HD13 LEU A 41 -2.700 -0.157 -3.362 1.00 31.04 H new ATOM 0 HD21 LEU A 41 -2.371 -0.978 -0.375 1.00 70.24 H new ATOM 0 HD22 LEU A 41 -3.964 -0.883 -1.162 1.00 70.24 H new ATOM 0 HD23 LEU A 41 -3.452 -2.391 -0.367 1.00 70.24 H new ATOM 704 N ASN A 42 -5.179 -5.017 -4.489 1.00 12.41 N ATOM 705 CA ASN A 42 -6.342 -5.387 -5.344 1.00 53.30 C ATOM 706 C ASN A 42 -7.088 -6.630 -4.808 1.00 1.22 C ATOM 707 O ASN A 42 -8.323 -6.689 -4.836 1.00 31.01 O ATOM 708 CB ASN A 42 -5.867 -5.636 -6.808 1.00 63.33 C ATOM 709 CG ASN A 42 -7.000 -5.874 -7.814 1.00 63.30 C ATOM 710 OD1 ASN A 42 -8.088 -5.318 -7.691 1.00 50.20 O ATOM 711 ND2 ASN A 42 -6.747 -6.699 -8.824 1.00 70.15 N ATOM 0 H ASN A 42 -4.286 -5.047 -4.981 1.00 12.41 H new ATOM 0 HA ASN A 42 -7.044 -4.553 -5.323 1.00 53.30 H new ATOM 0 HB2 ASN A 42 -5.281 -4.778 -7.137 1.00 63.33 H new ATOM 0 HB3 ASN A 42 -5.202 -6.499 -6.819 1.00 63.33 H new ATOM 0 HD21 ASN A 42 -7.466 -6.885 -9.523 1.00 70.15 H new ATOM 0 HD22 ASN A 42 -5.834 -7.147 -8.900 1.00 70.15 H new ATOM 718 N GLU A 43 -6.316 -7.602 -4.296 1.00 53.11 N ATOM 719 CA GLU A 43 -6.849 -8.879 -3.793 1.00 10.41 C ATOM 720 C GLU A 43 -7.423 -8.742 -2.373 1.00 40.51 C ATOM 721 O GLU A 43 -8.366 -9.457 -2.017 1.00 4.42 O ATOM 722 CB GLU A 43 -5.750 -9.969 -3.837 1.00 63.35 C ATOM 723 CG GLU A 43 -5.217 -10.288 -5.255 1.00 21.24 C ATOM 724 CD GLU A 43 -6.309 -10.710 -6.245 1.00 54.33 C ATOM 725 OE1 GLU A 43 -6.738 -11.880 -6.203 1.00 43.33 O ATOM 726 OE2 GLU A 43 -6.731 -9.874 -7.079 1.00 61.51 O ATOM 0 H GLU A 43 -5.302 -7.524 -4.219 1.00 53.11 H new ATOM 0 HA GLU A 43 -7.671 -9.176 -4.444 1.00 10.41 H new ATOM 0 HB2 GLU A 43 -4.915 -9.651 -3.212 1.00 63.35 H new ATOM 0 HB3 GLU A 43 -6.146 -10.884 -3.397 1.00 63.35 H new ATOM 0 HG2 GLU A 43 -4.704 -9.409 -5.647 1.00 21.24 H new ATOM 0 HG3 GLU A 43 -4.476 -11.084 -5.184 1.00 21.24 H new ATOM 733 N ARG A 44 -6.833 -7.850 -1.552 1.00 44.02 N ATOM 734 CA ARG A 44 -7.397 -7.505 -0.221 1.00 21.31 C ATOM 735 C ARG A 44 -8.710 -6.725 -0.406 1.00 20.01 C ATOM 736 O ARG A 44 -9.648 -6.855 0.381 1.00 33.44 O ATOM 737 CB ARG A 44 -6.385 -6.658 0.602 1.00 50.11 C ATOM 738 CG ARG A 44 -6.663 -6.554 2.119 1.00 11.34 C ATOM 739 CD ARG A 44 -6.715 -7.941 2.805 1.00 32.20 C ATOM 740 NE ARG A 44 -6.330 -7.871 4.224 1.00 0.00 N ATOM 741 CZ ARG A 44 -6.994 -8.418 5.253 1.00 22.24 C ATOM 742 NH1 ARG A 44 -8.138 -9.073 5.077 1.00 35.41 N ATOM 743 NH2 ARG A 44 -6.470 -8.347 6.465 1.00 74.43 N ATOM 0 H ARG A 44 -5.971 -7.355 -1.781 1.00 44.02 H new ATOM 0 HA ARG A 44 -7.596 -8.426 0.326 1.00 21.31 H new ATOM 0 HB2 ARG A 44 -5.390 -7.081 0.463 1.00 50.11 H new ATOM 0 HB3 ARG A 44 -6.363 -5.650 0.187 1.00 50.11 H new ATOM 0 HG2 ARG A 44 -5.887 -5.949 2.587 1.00 11.34 H new ATOM 0 HG3 ARG A 44 -7.609 -6.037 2.278 1.00 11.34 H new ATOM 0 HD2 ARG A 44 -7.723 -8.348 2.723 1.00 32.20 H new ATOM 0 HD3 ARG A 44 -6.050 -8.629 2.283 1.00 32.20 H new ATOM 0 HE ARG A 44 -5.477 -7.358 4.446 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -8.532 -9.169 4.141 1.00 35.41 H new ATOM 0 HH12 ARG A 44 -8.622 -9.479 5.878 1.00 35.41 H new ATOM 0 HH21 ARG A 44 -5.574 -7.881 6.607 1.00 74.43 H new ATOM 0 HH22 ARG A 44 -6.962 -8.758 7.258 1.00 74.43 H new ATOM 757 N MET A 45 -8.753 -5.920 -1.481 1.00 25.01 N ATOM 758 CA MET A 45 -9.922 -5.112 -1.842 1.00 3.02 C ATOM 759 C MET A 45 -10.922 -5.897 -2.701 1.00 52.24 C ATOM 760 O MET A 45 -12.009 -5.403 -2.964 1.00 53.03 O ATOM 761 CB MET A 45 -9.489 -3.806 -2.548 1.00 61.43 C ATOM 762 CG MET A 45 -8.692 -2.848 -1.648 1.00 72.22 C ATOM 763 SD MET A 45 -8.546 -1.194 -2.335 1.00 13.41 S ATOM 764 CE MET A 45 -10.268 -0.710 -2.490 1.00 31.02 C ATOM 0 H MET A 45 -7.970 -5.813 -2.126 1.00 25.01 H new ATOM 0 HA MET A 45 -10.434 -4.850 -0.916 1.00 3.02 H new ATOM 0 HB2 MET A 45 -8.884 -4.058 -3.419 1.00 61.43 H new ATOM 0 HB3 MET A 45 -10.377 -3.291 -2.915 1.00 61.43 H new ATOM 0 HG2 MET A 45 -9.175 -2.789 -0.673 1.00 72.22 H new ATOM 0 HG3 MET A 45 -7.695 -3.257 -1.485 1.00 72.22 H new ATOM 0 HE1 MET A 45 -10.342 0.377 -2.485 1.00 31.02 H new ATOM 0 HE2 MET A 45 -10.672 -1.097 -3.426 1.00 31.02 H new ATOM 0 HE3 MET A 45 -10.837 -1.116 -1.654 1.00 31.02 H new ATOM 774 N ASP A 46 -10.560 -7.123 -3.112 1.00 25.52 N ATOM 775 CA ASP A 46 -11.439 -7.999 -3.909 1.00 61.34 C ATOM 776 C ASP A 46 -12.734 -8.391 -3.122 1.00 32.10 C ATOM 777 O ASP A 46 -13.834 -8.191 -3.648 1.00 15.42 O ATOM 778 CB ASP A 46 -10.652 -9.237 -4.426 1.00 21.24 C ATOM 779 CG ASP A 46 -11.489 -10.168 -5.309 1.00 63.44 C ATOM 780 OD1 ASP A 46 -11.728 -9.826 -6.489 1.00 73.51 O ATOM 781 OD2 ASP A 46 -11.919 -11.235 -4.840 1.00 34.13 O ATOM 0 H ASP A 46 -9.651 -7.536 -2.902 1.00 25.52 H new ATOM 0 HA ASP A 46 -11.777 -7.443 -4.783 1.00 61.34 H new ATOM 0 HB2 ASP A 46 -9.784 -8.896 -4.991 1.00 21.24 H new ATOM 0 HB3 ASP A 46 -10.275 -9.800 -3.572 1.00 21.24 H new ATOM 786 N PRO A 47 -12.655 -8.909 -1.841 1.00 13.13 N ATOM 787 CA PRO A 47 -13.879 -9.125 -1.011 1.00 21.42 C ATOM 788 C PRO A 47 -14.566 -7.794 -0.622 1.00 34.11 C ATOM 789 O PRO A 47 -15.766 -7.777 -0.344 1.00 62.43 O ATOM 790 CB PRO A 47 -13.347 -9.881 0.230 1.00 62.40 C ATOM 791 CG PRO A 47 -11.902 -9.499 0.316 1.00 35.41 C ATOM 792 CD PRO A 47 -11.435 -9.355 -1.114 1.00 1.50 C ATOM 0 HA PRO A 47 -14.651 -9.679 -1.546 1.00 21.42 H new ATOM 0 HB2 PRO A 47 -13.887 -9.592 1.132 1.00 62.40 H new ATOM 0 HB3 PRO A 47 -13.466 -10.959 0.118 1.00 62.40 H new ATOM 0 HG2 PRO A 47 -11.775 -8.566 0.866 1.00 35.41 H new ATOM 0 HG3 PRO A 47 -11.326 -10.260 0.842 1.00 35.41 H new ATOM 0 HD2 PRO A 47 -10.629 -8.627 -1.200 1.00 1.50 H new ATOM 0 HD3 PRO A 47 -11.056 -10.298 -1.508 1.00 1.50 H new ATOM 800 N ILE A 48 -13.797 -6.680 -0.643 1.00 31.31 N ATOM 801 CA ILE A 48 -14.306 -5.327 -0.316 1.00 31.10 C ATOM 802 C ILE A 48 -15.228 -4.809 -1.450 1.00 23.55 C ATOM 803 O ILE A 48 -16.135 -4.000 -1.214 1.00 64.05 O ATOM 804 CB ILE A 48 -13.111 -4.327 -0.080 1.00 14.53 C ATOM 805 CG1 ILE A 48 -12.136 -4.869 1.019 1.00 3.32 C ATOM 806 CG2 ILE A 48 -13.584 -2.893 0.244 1.00 71.42 C ATOM 807 CD1 ILE A 48 -12.722 -5.069 2.400 1.00 71.22 C ATOM 0 H ILE A 48 -12.807 -6.694 -0.887 1.00 31.31 H new ATOM 0 HA ILE A 48 -14.887 -5.391 0.604 1.00 31.10 H new ATOM 0 HB ILE A 48 -12.565 -4.263 -1.021 1.00 14.53 H new ATOM 0 HG12 ILE A 48 -11.733 -5.822 0.678 1.00 3.32 H new ATOM 0 HG13 ILE A 48 -11.296 -4.179 1.101 1.00 3.32 H new ATOM 0 HG21 ILE A 48 -12.717 -2.250 0.396 1.00 71.42 H new ATOM 0 HG22 ILE A 48 -14.179 -2.510 -0.585 1.00 71.42 H new ATOM 0 HG23 ILE A 48 -14.190 -2.906 1.150 1.00 71.42 H new ATOM 0 HD11 ILE A 48 -11.951 -5.447 3.071 1.00 71.22 H new ATOM 0 HD12 ILE A 48 -13.097 -4.118 2.777 1.00 71.22 H new ATOM 0 HD13 ILE A 48 -13.541 -5.787 2.347 1.00 71.22 H new ATOM 819 N LYS A 49 -14.983 -5.304 -2.678 1.00 24.33 N ATOM 820 CA LYS A 49 -15.826 -5.019 -3.852 1.00 34.11 C ATOM 821 C LYS A 49 -17.178 -5.740 -3.727 1.00 34.23 C ATOM 822 O LYS A 49 -18.216 -5.205 -4.123 1.00 63.42 O ATOM 823 CB LYS A 49 -15.096 -5.441 -5.156 1.00 30.13 C ATOM 824 CG LYS A 49 -13.779 -4.673 -5.408 1.00 64.40 C ATOM 825 CD LYS A 49 -13.010 -5.177 -6.649 1.00 70.32 C ATOM 826 CE LYS A 49 -11.566 -4.641 -6.706 1.00 24.11 C ATOM 827 NZ LYS A 49 -10.865 -5.085 -7.941 1.00 22.31 N ATOM 0 H LYS A 49 -14.192 -5.915 -2.883 1.00 24.33 H new ATOM 0 HA LYS A 49 -16.013 -3.946 -3.896 1.00 34.11 H new ATOM 0 HB2 LYS A 49 -14.881 -6.509 -5.112 1.00 30.13 H new ATOM 0 HB3 LYS A 49 -15.765 -5.285 -6.003 1.00 30.13 H new ATOM 0 HG2 LYS A 49 -14.002 -3.613 -5.532 1.00 64.40 H new ATOM 0 HG3 LYS A 49 -13.139 -4.764 -4.530 1.00 64.40 H new ATOM 0 HD2 LYS A 49 -12.990 -6.267 -6.642 1.00 70.32 H new ATOM 0 HD3 LYS A 49 -13.543 -4.874 -7.550 1.00 70.32 H new ATOM 0 HE2 LYS A 49 -11.580 -3.552 -6.666 1.00 24.11 H new ATOM 0 HE3 LYS A 49 -11.015 -4.985 -5.831 1.00 24.11 H new ATOM 0 HZ1 LYS A 49 -9.844 -5.155 -7.755 1.00 22.31 H new ATOM 0 HZ2 LYS A 49 -11.229 -6.015 -8.231 1.00 22.31 H new ATOM 0 HZ3 LYS A 49 -11.031 -4.395 -8.702 1.00 22.31 H new ATOM 841 N LYS A 50 -17.138 -6.959 -3.161 1.00 63.41 N ATOM 842 CA LYS A 50 -18.341 -7.763 -2.869 1.00 52.43 C ATOM 843 C LYS A 50 -19.128 -7.106 -1.700 1.00 23.12 C ATOM 844 O LYS A 50 -20.366 -7.143 -1.666 1.00 34.42 O ATOM 845 CB LYS A 50 -17.903 -9.241 -2.554 1.00 30.24 C ATOM 846 CG LYS A 50 -18.990 -10.349 -2.722 1.00 35.23 C ATOM 847 CD LYS A 50 -20.103 -10.343 -1.645 1.00 20.43 C ATOM 848 CE LYS A 50 -19.550 -10.452 -0.215 1.00 12.52 C ATOM 849 NZ LYS A 50 -20.631 -10.436 0.804 1.00 4.42 N ATOM 0 H LYS A 50 -16.267 -7.417 -2.892 1.00 63.41 H new ATOM 0 HA LYS A 50 -19.010 -7.795 -3.729 1.00 52.43 H new ATOM 0 HB2 LYS A 50 -17.061 -9.491 -3.200 1.00 30.24 H new ATOM 0 HB3 LYS A 50 -17.539 -9.276 -1.527 1.00 30.24 H new ATOM 0 HG2 LYS A 50 -19.453 -10.237 -3.702 1.00 35.23 H new ATOM 0 HG3 LYS A 50 -18.500 -11.322 -2.711 1.00 35.23 H new ATOM 0 HD2 LYS A 50 -20.685 -9.426 -1.736 1.00 20.43 H new ATOM 0 HD3 LYS A 50 -20.785 -11.173 -1.830 1.00 20.43 H new ATOM 0 HE2 LYS A 50 -18.975 -11.373 -0.118 1.00 12.52 H new ATOM 0 HE3 LYS A 50 -18.864 -9.626 -0.028 1.00 12.52 H new ATOM 0 HZ1 LYS A 50 -20.214 -10.512 1.754 1.00 4.42 H new ATOM 0 HZ2 LYS A 50 -21.165 -9.546 0.730 1.00 4.42 H new ATOM 0 HZ3 LYS A 50 -21.272 -11.239 0.643 1.00 4.42 H new ATOM 863 N LEU A 51 -18.391 -6.470 -0.765 1.00 43.11 N ATOM 864 CA LEU A 51 -18.993 -5.707 0.352 1.00 5.21 C ATOM 865 C LEU A 51 -19.653 -4.426 -0.192 1.00 44.24 C ATOM 866 O LEU A 51 -20.693 -3.988 0.310 1.00 25.24 O ATOM 867 CB LEU A 51 -17.919 -5.340 1.417 1.00 40.21 C ATOM 868 CG LEU A 51 -17.285 -6.522 2.213 1.00 53.24 C ATOM 869 CD1 LEU A 51 -16.188 -6.012 3.175 1.00 54.43 C ATOM 870 CD2 LEU A 51 -18.357 -7.338 2.967 1.00 54.33 C ATOM 0 H LEU A 51 -17.371 -6.470 -0.761 1.00 43.11 H new ATOM 0 HA LEU A 51 -19.748 -6.331 0.830 1.00 5.21 H new ATOM 0 HB2 LEU A 51 -17.116 -4.798 0.917 1.00 40.21 H new ATOM 0 HB3 LEU A 51 -18.371 -4.653 2.132 1.00 40.21 H new ATOM 0 HG LEU A 51 -16.816 -7.193 1.493 1.00 53.24 H new ATOM 0 HD11 LEU A 51 -15.761 -6.854 3.719 1.00 54.43 H new ATOM 0 HD12 LEU A 51 -15.405 -5.515 2.603 1.00 54.43 H new ATOM 0 HD13 LEU A 51 -16.624 -5.307 3.883 1.00 54.43 H new ATOM 0 HD21 LEU A 51 -17.879 -8.153 3.510 1.00 54.33 H new ATOM 0 HD22 LEU A 51 -18.879 -6.690 3.671 1.00 54.33 H new ATOM 0 HD23 LEU A 51 -19.071 -7.748 2.253 1.00 54.33 H new ATOM 882 N GLY A 52 -19.034 -3.856 -1.237 1.00 22.44 N ATOM 883 CA GLY A 52 -19.562 -2.679 -1.914 1.00 3.21 C ATOM 884 C GLY A 52 -19.396 -1.403 -1.114 1.00 45.12 C ATOM 885 O GLY A 52 -20.350 -0.623 -0.980 1.00 61.51 O ATOM 0 H GLY A 52 -18.158 -4.202 -1.629 1.00 22.44 H new ATOM 0 HA2 GLY A 52 -19.060 -2.565 -2.875 1.00 3.21 H new ATOM 0 HA3 GLY A 52 -20.620 -2.833 -2.124 1.00 3.21 H new ATOM 889 N CYS A 53 -18.192 -1.204 -0.550 1.00 30.13 N ATOM 890 CA CYS A 53 -17.813 0.077 0.059 1.00 73.11 C ATOM 891 C CYS A 53 -17.490 1.087 -1.061 1.00 1.55 C ATOM 892 O CYS A 53 -16.508 0.912 -1.790 1.00 61.31 O ATOM 893 CB CYS A 53 -16.610 -0.085 1.026 1.00 20.04 C ATOM 894 SG CYS A 53 -17.031 -0.822 2.642 1.00 13.33 S ATOM 0 H CYS A 53 -17.465 -1.918 -0.505 1.00 30.13 H new ATOM 0 HA CYS A 53 -18.648 0.447 0.654 1.00 73.11 H new ATOM 0 HB2 CYS A 53 -15.854 -0.705 0.544 1.00 20.04 H new ATOM 0 HB3 CYS A 53 -16.160 0.894 1.193 1.00 20.04 H new ATOM 899 N LYS A 54 -18.342 2.130 -1.188 1.00 3.00 N ATOM 900 CA LYS A 54 -18.207 3.201 -2.210 1.00 23.24 C ATOM 901 C LYS A 54 -16.849 3.925 -2.080 1.00 5.51 C ATOM 902 O LYS A 54 -16.264 4.353 -3.074 1.00 15.13 O ATOM 903 CB LYS A 54 -19.380 4.212 -2.061 1.00 10.14 C ATOM 904 CG LYS A 54 -19.460 4.870 -0.664 1.00 40.42 C ATOM 905 CD LYS A 54 -20.640 5.855 -0.499 1.00 70.04 C ATOM 906 CE LYS A 54 -20.688 6.460 0.920 1.00 4.03 C ATOM 907 NZ LYS A 54 -21.813 7.420 1.082 1.00 5.31 N ATOM 0 H LYS A 54 -19.151 2.256 -0.580 1.00 3.00 H new ATOM 0 HA LYS A 54 -18.246 2.747 -3.200 1.00 23.24 H new ATOM 0 HB2 LYS A 54 -19.273 4.992 -2.815 1.00 10.14 H new ATOM 0 HB3 LYS A 54 -20.319 3.698 -2.265 1.00 10.14 H new ATOM 0 HG2 LYS A 54 -19.545 4.088 0.090 1.00 40.42 H new ATOM 0 HG3 LYS A 54 -18.528 5.400 -0.470 1.00 40.42 H new ATOM 0 HD2 LYS A 54 -20.550 6.656 -1.233 1.00 70.04 H new ATOM 0 HD3 LYS A 54 -21.577 5.338 -0.705 1.00 70.04 H new ATOM 0 HE2 LYS A 54 -20.788 5.659 1.652 1.00 4.03 H new ATOM 0 HE3 LYS A 54 -19.746 6.967 1.129 1.00 4.03 H new ATOM 0 HZ1 LYS A 54 -21.807 7.802 2.049 1.00 5.31 H new ATOM 0 HZ2 LYS A 54 -21.705 8.199 0.402 1.00 5.31 H new ATOM 0 HZ3 LYS A 54 -22.714 6.931 0.908 1.00 5.31 H new ATOM 921 N ARG A 55 -16.373 4.025 -0.828 1.00 65.21 N ATOM 922 CA ARG A 55 -15.085 4.632 -0.476 1.00 75.24 C ATOM 923 C ARG A 55 -14.497 3.868 0.726 1.00 21.42 C ATOM 924 O ARG A 55 -15.235 3.446 1.628 1.00 21.31 O ATOM 925 CB ARG A 55 -15.262 6.132 -0.108 1.00 64.04 C ATOM 926 CG ARG A 55 -13.934 6.909 0.095 1.00 41.13 C ATOM 927 CD ARG A 55 -14.136 8.232 0.851 1.00 63.50 C ATOM 928 NE ARG A 55 -14.523 7.991 2.250 1.00 34.05 N ATOM 929 CZ ARG A 55 -14.718 8.935 3.184 1.00 43.33 C ATOM 930 NH1 ARG A 55 -14.576 10.226 2.900 1.00 22.33 N ATOM 931 NH2 ARG A 55 -15.044 8.570 4.415 1.00 20.45 N ATOM 0 H ARG A 55 -16.886 3.678 -0.018 1.00 65.21 H new ATOM 0 HA ARG A 55 -14.413 4.571 -1.332 1.00 75.24 H new ATOM 0 HB2 ARG A 55 -15.836 6.620 -0.895 1.00 64.04 H new ATOM 0 HB3 ARG A 55 -15.851 6.201 0.806 1.00 64.04 H new ATOM 0 HG2 ARG A 55 -13.231 6.283 0.645 1.00 41.13 H new ATOM 0 HG3 ARG A 55 -13.485 7.114 -0.877 1.00 41.13 H new ATOM 0 HD2 ARG A 55 -13.216 8.815 0.821 1.00 63.50 H new ATOM 0 HD3 ARG A 55 -14.905 8.824 0.355 1.00 63.50 H new ATOM 0 HE ARG A 55 -14.655 7.021 2.535 1.00 34.05 H new ATOM 0 HH11 ARG A 55 -14.314 10.515 1.958 1.00 22.33 H new ATOM 0 HH12 ARG A 55 -14.729 10.927 3.625 1.00 22.33 H new ATOM 0 HH21 ARG A 55 -15.144 7.581 4.644 1.00 20.45 H new ATOM 0 HH22 ARG A 55 -15.195 9.278 5.134 1.00 20.45 H new ATOM 945 N VAL A 56 -13.175 3.711 0.743 1.00 40.51 N ATOM 946 CA VAL A 56 -12.441 3.019 1.820 1.00 43.10 C ATOM 947 C VAL A 56 -11.260 3.882 2.269 1.00 55.22 C ATOM 948 O VAL A 56 -10.697 4.616 1.466 1.00 44.11 O ATOM 949 CB VAL A 56 -11.918 1.608 1.358 1.00 3.34 C ATOM 950 CG1 VAL A 56 -13.083 0.655 1.046 1.00 34.12 C ATOM 951 CG2 VAL A 56 -10.961 1.719 0.148 1.00 22.42 C ATOM 0 H VAL A 56 -12.568 4.063 0.003 1.00 40.51 H new ATOM 0 HA VAL A 56 -13.131 2.864 2.650 1.00 43.10 H new ATOM 0 HB VAL A 56 -11.351 1.189 2.190 1.00 3.34 H new ATOM 0 HG11 VAL A 56 -12.688 -0.311 0.730 1.00 34.12 H new ATOM 0 HG12 VAL A 56 -13.694 0.523 1.939 1.00 34.12 H new ATOM 0 HG13 VAL A 56 -13.694 1.076 0.248 1.00 34.12 H new ATOM 0 HG21 VAL A 56 -10.622 0.724 -0.140 1.00 22.42 H new ATOM 0 HG22 VAL A 56 -11.485 2.181 -0.689 1.00 22.42 H new ATOM 0 HG23 VAL A 56 -10.101 2.331 0.419 1.00 22.42 H new ATOM 961 N ARG A 57 -10.905 3.801 3.553 1.00 65.25 N ATOM 962 CA ARG A 57 -9.737 4.505 4.104 1.00 62.23 C ATOM 963 C ARG A 57 -8.590 3.498 4.282 1.00 50.10 C ATOM 964 O ARG A 57 -8.656 2.626 5.155 1.00 53.25 O ATOM 965 CB ARG A 57 -10.118 5.184 5.445 1.00 0.23 C ATOM 966 CG ARG A 57 -8.971 5.966 6.125 1.00 43.44 C ATOM 967 CD ARG A 57 -9.445 6.790 7.335 1.00 23.12 C ATOM 968 NE ARG A 57 -8.336 7.524 7.969 1.00 71.45 N ATOM 969 CZ ARG A 57 -8.015 8.807 7.730 1.00 31.43 C ATOM 970 NH1 ARG A 57 -8.704 9.541 6.861 1.00 42.13 N ATOM 971 NH2 ARG A 57 -6.981 9.352 8.356 1.00 22.44 N ATOM 0 H ARG A 57 -11.415 3.248 4.242 1.00 65.25 H new ATOM 0 HA ARG A 57 -9.407 5.288 3.422 1.00 62.23 H new ATOM 0 HB2 ARG A 57 -10.949 5.867 5.267 1.00 0.23 H new ATOM 0 HB3 ARG A 57 -10.476 4.419 6.134 1.00 0.23 H new ATOM 0 HG2 ARG A 57 -8.201 5.265 6.448 1.00 43.44 H new ATOM 0 HG3 ARG A 57 -8.510 6.632 5.396 1.00 43.44 H new ATOM 0 HD2 ARG A 57 -10.212 7.496 7.015 1.00 23.12 H new ATOM 0 HD3 ARG A 57 -9.907 6.127 8.067 1.00 23.12 H new ATOM 0 HE ARG A 57 -7.765 7.017 8.645 1.00 71.45 H new ATOM 0 HH11 ARG A 57 -9.493 9.132 6.361 1.00 42.13 H new ATOM 0 HH12 ARG A 57 -8.443 10.513 6.695 1.00 42.13 H new ATOM 0 HH21 ARG A 57 -6.434 8.798 9.015 1.00 22.44 H new ATOM 0 HH22 ARG A 57 -6.733 10.325 8.179 1.00 22.44 H new ATOM 985 N ILE A 58 -7.570 3.593 3.413 1.00 22.51 N ATOM 986 CA ILE A 58 -6.415 2.680 3.417 1.00 34.03 C ATOM 987 C ILE A 58 -5.171 3.420 3.950 1.00 63.34 C ATOM 988 O ILE A 58 -4.629 4.300 3.278 1.00 5.12 O ATOM 989 CB ILE A 58 -6.110 2.093 1.984 1.00 62.31 C ATOM 990 CG1 ILE A 58 -7.399 1.499 1.329 1.00 15.25 C ATOM 991 CG2 ILE A 58 -4.985 1.024 2.057 1.00 53.44 C ATOM 992 CD1 ILE A 58 -7.202 0.952 -0.078 1.00 5.03 C ATOM 0 H ILE A 58 -7.523 4.307 2.686 1.00 22.51 H new ATOM 0 HA ILE A 58 -6.663 1.842 4.068 1.00 34.03 H new ATOM 0 HB ILE A 58 -5.764 2.912 1.353 1.00 62.31 H new ATOM 0 HG12 ILE A 58 -7.778 0.700 1.965 1.00 15.25 H new ATOM 0 HG13 ILE A 58 -8.165 2.274 1.299 1.00 15.25 H new ATOM 0 HG21 ILE A 58 -4.790 0.632 1.059 1.00 53.44 H new ATOM 0 HG22 ILE A 58 -4.076 1.478 2.452 1.00 53.44 H new ATOM 0 HG23 ILE A 58 -5.298 0.210 2.711 1.00 53.44 H new ATOM 0 HD11 ILE A 58 -8.148 0.561 -0.452 1.00 5.03 H new ATOM 0 HD12 ILE A 58 -6.855 1.751 -0.734 1.00 5.03 H new ATOM 0 HD13 ILE A 58 -6.462 0.152 -0.057 1.00 5.03 H new ATOM 1004 N SER A 59 -4.750 3.075 5.173 1.00 21.11 N ATOM 1005 CA SER A 59 -3.529 3.591 5.790 1.00 45.33 C ATOM 1006 C SER A 59 -2.409 2.543 5.610 1.00 44.23 C ATOM 1007 O SER A 59 -2.438 1.483 6.247 1.00 74.43 O ATOM 1008 CB SER A 59 -3.807 3.871 7.285 1.00 31.11 C ATOM 1009 OG SER A 59 -4.950 4.708 7.446 1.00 33.43 O ATOM 0 H SER A 59 -5.258 2.420 5.768 1.00 21.11 H new ATOM 0 HA SER A 59 -3.212 4.522 5.321 1.00 45.33 H new ATOM 0 HB2 SER A 59 -3.965 2.930 7.811 1.00 31.11 H new ATOM 0 HB3 SER A 59 -2.937 4.347 7.737 1.00 31.11 H new ATOM 0 HG SER A 59 -5.106 4.869 8.400 1.00 33.43 H new ATOM 1015 N ILE A 60 -1.467 2.818 4.696 1.00 34.25 N ATOM 1016 CA ILE A 60 -0.312 1.940 4.441 1.00 3.12 C ATOM 1017 C ILE A 60 0.930 2.503 5.159 1.00 41.53 C ATOM 1018 O ILE A 60 1.186 3.715 5.111 1.00 33.34 O ATOM 1019 CB ILE A 60 -0.027 1.794 2.898 1.00 13.50 C ATOM 1020 CG1 ILE A 60 -1.280 1.235 2.151 1.00 62.01 C ATOM 1021 CG2 ILE A 60 1.220 0.919 2.626 1.00 41.22 C ATOM 1022 CD1 ILE A 60 -1.137 1.163 0.641 1.00 54.21 C ATOM 0 H ILE A 60 -1.483 3.654 4.112 1.00 34.25 H new ATOM 0 HA ILE A 60 -0.543 0.948 4.829 1.00 3.12 H new ATOM 0 HB ILE A 60 0.185 2.790 2.508 1.00 13.50 H new ATOM 0 HG12 ILE A 60 -1.497 0.236 2.530 1.00 62.01 H new ATOM 0 HG13 ILE A 60 -2.139 1.861 2.392 1.00 62.01 H new ATOM 0 HG21 ILE A 60 1.383 0.842 1.551 1.00 41.22 H new ATOM 0 HG22 ILE A 60 2.093 1.374 3.094 1.00 41.22 H new ATOM 0 HG23 ILE A 60 1.063 -0.077 3.041 1.00 41.22 H new ATOM 0 HD11 ILE A 60 -2.054 0.764 0.207 1.00 54.21 H new ATOM 0 HD12 ILE A 60 -0.953 2.162 0.245 1.00 54.21 H new ATOM 0 HD13 ILE A 60 -0.301 0.512 0.385 1.00 54.21 H new ATOM 1034 N ARG A 61 1.676 1.622 5.846 1.00 55.33 N ATOM 1035 CA ARG A 61 2.958 1.966 6.490 1.00 32.34 C ATOM 1036 C ARG A 61 4.035 0.967 6.054 1.00 45.23 C ATOM 1037 O ARG A 61 3.781 -0.239 5.987 1.00 14.53 O ATOM 1038 CB ARG A 61 2.811 1.997 8.038 1.00 4.32 C ATOM 1039 CG ARG A 61 1.892 3.124 8.544 1.00 42.22 C ATOM 1040 CD ARG A 61 1.929 3.329 10.065 1.00 24.33 C ATOM 1041 NE ARG A 61 1.313 2.232 10.833 1.00 30.15 N ATOM 1042 CZ ARG A 61 0.415 2.402 11.820 1.00 11.35 C ATOM 1043 NH1 ARG A 61 -0.001 3.622 12.161 1.00 35.50 N ATOM 1044 NH2 ARG A 61 -0.026 1.354 12.492 1.00 11.53 N ATOM 0 H ARG A 61 1.407 0.646 5.972 1.00 55.33 H new ATOM 0 HA ARG A 61 3.259 2.965 6.173 1.00 32.34 H new ATOM 0 HB2 ARG A 61 2.418 1.038 8.377 1.00 4.32 H new ATOM 0 HB3 ARG A 61 3.797 2.114 8.487 1.00 4.32 H new ATOM 0 HG2 ARG A 61 2.176 4.056 8.056 1.00 42.22 H new ATOM 0 HG3 ARG A 61 0.868 2.905 8.243 1.00 42.22 H new ATOM 0 HD2 ARG A 61 2.966 3.442 10.381 1.00 24.33 H new ATOM 0 HD3 ARG A 61 1.418 4.261 10.308 1.00 24.33 H new ATOM 0 HE ARG A 61 1.587 1.277 10.600 1.00 30.15 H new ATOM 0 HH11 ARG A 61 0.362 4.440 11.672 1.00 35.50 H new ATOM 0 HH12 ARG A 61 -0.682 3.737 12.911 1.00 35.50 H new ATOM 0 HH21 ARG A 61 0.314 0.420 12.262 1.00 11.53 H new ATOM 0 HH22 ARG A 61 -0.707 1.478 13.241 1.00 11.53 H new ATOM 1058 N VAL A 62 5.230 1.488 5.737 1.00 61.30 N ATOM 1059 CA VAL A 62 6.385 0.678 5.319 1.00 54.05 C ATOM 1060 C VAL A 62 7.282 0.403 6.544 1.00 3.25 C ATOM 1061 O VAL A 62 7.498 1.300 7.372 1.00 45.43 O ATOM 1062 CB VAL A 62 7.196 1.410 4.166 1.00 53.10 C ATOM 1063 CG1 VAL A 62 7.832 2.744 4.607 1.00 0.21 C ATOM 1064 CG2 VAL A 62 8.264 0.497 3.554 1.00 60.34 C ATOM 0 H VAL A 62 5.424 2.489 5.764 1.00 61.30 H new ATOM 0 HA VAL A 62 6.035 -0.273 4.917 1.00 54.05 H new ATOM 0 HB VAL A 62 6.452 1.648 3.405 1.00 53.10 H new ATOM 0 HG11 VAL A 62 8.369 3.186 3.768 1.00 0.21 H new ATOM 0 HG12 VAL A 62 7.050 3.428 4.938 1.00 0.21 H new ATOM 0 HG13 VAL A 62 8.527 2.562 5.427 1.00 0.21 H new ATOM 0 HG21 VAL A 62 8.796 1.035 2.769 1.00 60.34 H new ATOM 0 HG22 VAL A 62 8.969 0.192 4.328 1.00 60.34 H new ATOM 0 HG23 VAL A 62 7.787 -0.386 3.129 1.00 60.34 H new ATOM 1074 N LYS A 63 7.778 -0.831 6.695 1.00 12.23 N ATOM 1075 CA LYS A 63 8.733 -1.159 7.759 1.00 44.11 C ATOM 1076 C LYS A 63 10.122 -0.766 7.269 1.00 22.55 C ATOM 1077 O LYS A 63 10.622 -1.335 6.282 1.00 13.24 O ATOM 1078 CB LYS A 63 8.681 -2.660 8.130 1.00 2.33 C ATOM 1079 CG LYS A 63 9.612 -3.059 9.301 1.00 20.53 C ATOM 1080 CD LYS A 63 9.544 -4.564 9.636 1.00 45.33 C ATOM 1081 CE LYS A 63 10.448 -4.966 10.813 1.00 54.24 C ATOM 1082 NZ LYS A 63 11.889 -4.730 10.534 1.00 33.43 N ATOM 0 H LYS A 63 7.534 -1.618 6.094 1.00 12.23 H new ATOM 0 HA LYS A 63 8.479 -0.610 8.666 1.00 44.11 H new ATOM 0 HB2 LYS A 63 7.656 -2.923 8.391 1.00 2.33 H new ATOM 0 HB3 LYS A 63 8.948 -3.249 7.252 1.00 2.33 H new ATOM 0 HG2 LYS A 63 10.639 -2.794 9.049 1.00 20.53 H new ATOM 0 HG3 LYS A 63 9.342 -2.482 10.186 1.00 20.53 H new ATOM 0 HD2 LYS A 63 8.514 -4.831 9.871 1.00 45.33 H new ATOM 0 HD3 LYS A 63 9.829 -5.139 8.755 1.00 45.33 H new ATOM 0 HE2 LYS A 63 10.156 -4.402 11.699 1.00 54.24 H new ATOM 0 HE3 LYS A 63 10.294 -6.021 11.041 1.00 54.24 H new ATOM 0 HZ1 LYS A 63 12.459 -5.080 11.331 1.00 33.43 H new ATOM 0 HZ2 LYS A 63 12.162 -5.234 9.666 1.00 33.43 H new ATOM 0 HZ3 LYS A 63 12.056 -3.711 10.410 1.00 33.43 H new ATOM 1096 N HIS A 64 10.722 0.224 7.944 1.00 22.05 N ATOM 1097 CA HIS A 64 11.976 0.836 7.512 1.00 73.43 C ATOM 1098 C HIS A 64 13.131 -0.155 7.679 1.00 21.04 C ATOM 1099 O HIS A 64 13.240 -0.810 8.719 1.00 53.01 O ATOM 1100 CB HIS A 64 12.246 2.125 8.315 1.00 73.11 C ATOM 1101 CG HIS A 64 11.110 3.125 8.320 1.00 41.21 C ATOM 1102 ND1 HIS A 64 10.720 3.817 9.451 1.00 5.23 N ATOM 1103 CD2 HIS A 64 10.315 3.582 7.325 1.00 23.02 C ATOM 1104 CE1 HIS A 64 9.744 4.643 9.143 1.00 65.41 C ATOM 1105 NE2 HIS A 64 9.483 4.523 7.864 1.00 11.00 N ATOM 0 H HIS A 64 10.347 0.620 8.806 1.00 22.05 H new ATOM 0 HA HIS A 64 11.895 1.099 6.457 1.00 73.43 H new ATOM 0 HB2 HIS A 64 12.475 1.852 9.345 1.00 73.11 H new ATOM 0 HB3 HIS A 64 13.134 2.609 7.909 1.00 73.11 H new ATOM 0 HD1 HIS A 64 11.126 3.705 10.380 1.00 5.23 H new ATOM 0 HD2 HIS A 64 10.334 3.262 6.294 1.00 23.02 H new ATOM 0 HE1 HIS A 64 9.242 5.309 9.829 1.00 65.41 H new ATOM 1114 N SER A 65 13.958 -0.269 6.633 1.00 13.32 N ATOM 1115 CA SER A 65 15.115 -1.173 6.600 1.00 51.24 C ATOM 1116 C SER A 65 16.091 -0.890 7.769 1.00 34.21 C ATOM 1117 O SER A 65 16.438 -1.796 8.529 1.00 5.43 O ATOM 1118 CB SER A 65 15.809 -1.041 5.227 1.00 41.53 C ATOM 1119 OG SER A 65 17.057 -1.696 5.192 1.00 50.11 O ATOM 0 H SER A 65 13.842 0.270 5.775 1.00 13.32 H new ATOM 0 HA SER A 65 14.776 -2.201 6.730 1.00 51.24 H new ATOM 0 HB2 SER A 65 15.162 -1.456 4.454 1.00 41.53 H new ATOM 0 HB3 SER A 65 15.949 0.014 4.993 1.00 41.53 H new ATOM 0 HG SER A 65 17.716 -1.171 5.692 1.00 50.11 H new ATOM 1125 N ASP A 66 16.495 0.384 7.906 1.00 32.42 N ATOM 1126 CA ASP A 66 17.446 0.855 8.950 1.00 42.32 C ATOM 1127 C ASP A 66 17.053 2.271 9.404 1.00 21.04 C ATOM 1128 O ASP A 66 16.097 2.845 8.870 1.00 22.34 O ATOM 1129 CB ASP A 66 18.909 0.874 8.416 1.00 43.33 C ATOM 1130 CG ASP A 66 19.452 -0.508 8.022 1.00 2.20 C ATOM 1131 OD1 ASP A 66 19.864 -1.281 8.913 1.00 41.22 O ATOM 1132 OD2 ASP A 66 19.462 -0.829 6.817 1.00 61.51 O ATOM 0 H ASP A 66 16.172 1.132 7.292 1.00 32.42 H new ATOM 0 HA ASP A 66 17.396 0.163 9.791 1.00 42.32 H new ATOM 0 HB2 ASP A 66 18.959 1.533 7.549 1.00 43.33 H new ATOM 0 HB3 ASP A 66 19.558 1.303 9.180 1.00 43.33 H new ATOM 1137 N ALA A 67 17.830 2.828 10.361 1.00 71.22 N ATOM 1138 CA ALA A 67 17.650 4.198 10.874 1.00 42.23 C ATOM 1139 C ALA A 67 17.901 5.239 9.771 1.00 3.13 C ATOM 1140 O ALA A 67 17.060 6.108 9.523 1.00 35.11 O ATOM 1141 CB ALA A 67 18.589 4.437 12.065 1.00 60.02 C ATOM 0 H ALA A 67 18.605 2.332 10.800 1.00 71.22 H new ATOM 0 HA ALA A 67 16.618 4.309 11.207 1.00 42.23 H new ATOM 0 HB1 ALA A 67 18.451 5.451 12.439 1.00 60.02 H new ATOM 0 HB2 ALA A 67 18.361 3.724 12.857 1.00 60.02 H new ATOM 0 HB3 ALA A 67 19.623 4.306 11.745 1.00 60.02 H new ATOM 1147 N ALA A 68 19.063 5.108 9.094 1.00 41.24 N ATOM 1148 CA ALA A 68 19.457 5.988 7.969 1.00 61.04 C ATOM 1149 C ALA A 68 18.514 5.818 6.766 1.00 63.52 C ATOM 1150 O ALA A 68 18.361 6.736 5.958 1.00 20.04 O ATOM 1151 CB ALA A 68 20.912 5.706 7.551 1.00 21.22 C ATOM 0 H ALA A 68 19.754 4.390 9.311 1.00 41.24 H new ATOM 0 HA ALA A 68 19.380 7.020 8.311 1.00 61.04 H new ATOM 0 HB1 ALA A 68 21.186 6.360 6.724 1.00 21.22 H new ATOM 0 HB2 ALA A 68 21.576 5.891 8.396 1.00 21.22 H new ATOM 0 HB3 ALA A 68 21.005 4.666 7.238 1.00 21.22 H new ATOM 1157 N GLU A 69 17.896 4.629 6.661 1.00 71.41 N ATOM 1158 CA GLU A 69 16.950 4.313 5.580 1.00 41.30 C ATOM 1159 C GLU A 69 15.591 5.014 5.762 1.00 1.31 C ATOM 1160 O GLU A 69 14.976 5.325 4.775 1.00 42.01 O ATOM 1161 CB GLU A 69 16.734 2.780 5.464 1.00 0.11 C ATOM 1162 CG GLU A 69 17.942 2.004 4.906 1.00 63.12 C ATOM 1163 CD GLU A 69 18.221 2.308 3.426 1.00 51.12 C ATOM 1164 OE1 GLU A 69 17.491 1.771 2.556 1.00 64.23 O ATOM 1165 OE2 GLU A 69 19.165 3.069 3.120 1.00 14.31 O ATOM 0 H GLU A 69 18.038 3.864 7.320 1.00 71.41 H new ATOM 0 HA GLU A 69 17.397 4.688 4.660 1.00 41.30 H new ATOM 0 HB2 GLU A 69 16.489 2.385 6.450 1.00 0.11 H new ATOM 0 HB3 GLU A 69 15.872 2.595 4.823 1.00 0.11 H new ATOM 0 HG2 GLU A 69 18.827 2.248 5.494 1.00 63.12 H new ATOM 0 HG3 GLU A 69 17.766 0.935 5.024 1.00 63.12 H new ATOM 1172 N GLU A 70 15.162 5.271 7.020 1.00 11.11 N ATOM 1173 CA GLU A 70 13.772 5.714 7.361 1.00 74.40 C ATOM 1174 C GLU A 70 13.256 6.905 6.506 1.00 51.41 C ATOM 1175 O GLU A 70 12.137 6.861 5.956 1.00 1.41 O ATOM 1176 CB GLU A 70 13.657 6.072 8.874 1.00 45.24 C ATOM 1177 CG GLU A 70 14.014 4.918 9.829 1.00 32.04 C ATOM 1178 CD GLU A 70 13.634 5.168 11.297 1.00 62.34 C ATOM 1179 OE1 GLU A 70 12.506 4.804 11.697 1.00 20.31 O ATOM 1180 OE2 GLU A 70 14.465 5.697 12.060 1.00 23.32 O ATOM 0 H GLU A 70 15.766 5.179 7.837 1.00 11.11 H new ATOM 0 HA GLU A 70 13.136 4.861 7.126 1.00 74.40 H new ATOM 0 HB2 GLU A 70 14.311 6.918 9.086 1.00 45.24 H new ATOM 0 HB3 GLU A 70 12.638 6.397 9.082 1.00 45.24 H new ATOM 0 HG2 GLU A 70 13.515 4.012 9.487 1.00 32.04 H new ATOM 0 HG3 GLU A 70 15.087 4.733 9.771 1.00 32.04 H new ATOM 1187 N LYS A 71 14.101 7.940 6.389 1.00 53.22 N ATOM 1188 CA LYS A 71 13.772 9.187 5.666 1.00 44.12 C ATOM 1189 C LYS A 71 13.680 8.926 4.149 1.00 15.13 C ATOM 1190 O LYS A 71 12.811 9.474 3.449 1.00 41.10 O ATOM 1191 CB LYS A 71 14.851 10.256 5.953 1.00 1.42 C ATOM 1192 CG LYS A 71 15.191 10.456 7.447 1.00 35.33 C ATOM 1193 CD LYS A 71 16.272 11.543 7.665 1.00 35.30 C ATOM 1194 CE LYS A 71 17.583 11.252 6.909 1.00 40.05 C ATOM 1195 NZ LYS A 71 18.641 12.250 7.232 1.00 25.53 N ATOM 0 H LYS A 71 15.037 7.940 6.794 1.00 53.22 H new ATOM 0 HA LYS A 71 12.804 9.548 6.014 1.00 44.12 H new ATOM 0 HB2 LYS A 71 15.763 9.982 5.422 1.00 1.42 H new ATOM 0 HB3 LYS A 71 14.516 11.208 5.541 1.00 1.42 H new ATOM 0 HG2 LYS A 71 14.287 10.733 7.989 1.00 35.33 H new ATOM 0 HG3 LYS A 71 15.538 9.512 7.867 1.00 35.33 H new ATOM 0 HD2 LYS A 71 15.880 12.507 7.342 1.00 35.30 H new ATOM 0 HD3 LYS A 71 16.485 11.627 8.731 1.00 35.30 H new ATOM 0 HE2 LYS A 71 17.936 10.253 7.164 1.00 40.05 H new ATOM 0 HE3 LYS A 71 17.393 11.258 5.836 1.00 40.05 H new ATOM 0 HZ1 LYS A 71 19.507 12.021 6.704 1.00 25.53 H new ATOM 0 HZ2 LYS A 71 18.315 13.201 6.965 1.00 25.53 H new ATOM 0 HZ3 LYS A 71 18.841 12.226 8.252 1.00 25.53 H new ATOM 1209 N LYS A 72 14.609 8.084 3.670 1.00 32.03 N ATOM 1210 CA LYS A 72 14.665 7.613 2.277 1.00 65.10 C ATOM 1211 C LYS A 72 13.490 6.665 1.989 1.00 21.30 C ATOM 1212 O LYS A 72 12.963 6.671 0.898 1.00 25.21 O ATOM 1213 CB LYS A 72 16.008 6.857 2.039 1.00 3.21 C ATOM 1214 CG LYS A 72 16.207 6.307 0.602 1.00 42.54 C ATOM 1215 CD LYS A 72 17.390 5.316 0.491 1.00 74.23 C ATOM 1216 CE LYS A 72 18.732 5.914 0.947 1.00 4.20 C ATOM 1217 NZ LYS A 72 19.826 4.913 0.864 1.00 34.02 N ATOM 0 H LYS A 72 15.356 7.704 4.251 1.00 32.03 H new ATOM 0 HA LYS A 72 14.600 8.473 1.610 1.00 65.10 H new ATOM 0 HB2 LYS A 72 16.833 7.531 2.271 1.00 3.21 H new ATOM 0 HB3 LYS A 72 16.069 6.026 2.741 1.00 3.21 H new ATOM 0 HG2 LYS A 72 15.292 5.809 0.280 1.00 42.54 H new ATOM 0 HG3 LYS A 72 16.374 7.141 -0.080 1.00 42.54 H new ATOM 0 HD2 LYS A 72 17.172 4.432 1.091 1.00 74.23 H new ATOM 0 HD3 LYS A 72 17.481 4.985 -0.543 1.00 74.23 H new ATOM 0 HE2 LYS A 72 18.978 6.776 0.327 1.00 4.20 H new ATOM 0 HE3 LYS A 72 18.643 6.274 1.972 1.00 4.20 H new ATOM 0 HZ1 LYS A 72 20.743 5.390 0.979 1.00 34.02 H new ATOM 0 HZ2 LYS A 72 19.707 4.205 1.617 1.00 34.02 H new ATOM 0 HZ3 LYS A 72 19.795 4.441 -0.062 1.00 34.02 H new ATOM 1231 N GLU A 73 13.087 5.892 3.016 1.00 3.01 N ATOM 1232 CA GLU A 73 12.182 4.732 2.897 1.00 53.24 C ATOM 1233 C GLU A 73 10.755 5.197 2.641 1.00 54.43 C ATOM 1234 O GLU A 73 10.020 4.571 1.881 1.00 0.00 O ATOM 1235 CB GLU A 73 12.230 3.888 4.203 1.00 1.52 C ATOM 1236 CG GLU A 73 11.593 2.479 4.114 1.00 24.00 C ATOM 1237 CD GLU A 73 12.450 1.456 3.354 1.00 73.42 C ATOM 1238 OE1 GLU A 73 13.593 1.186 3.798 1.00 52.42 O ATOM 1239 OE2 GLU A 73 12.004 0.934 2.315 1.00 3.33 O ATOM 0 H GLU A 73 13.389 6.061 3.975 1.00 3.01 H new ATOM 0 HA GLU A 73 12.510 4.119 2.057 1.00 53.24 H new ATOM 0 HB2 GLU A 73 13.272 3.778 4.505 1.00 1.52 H new ATOM 0 HB3 GLU A 73 11.727 4.445 4.993 1.00 1.52 H new ATOM 0 HG2 GLU A 73 11.412 2.108 5.123 1.00 24.00 H new ATOM 0 HG3 GLU A 73 10.622 2.560 3.625 1.00 24.00 H new ATOM 1246 N ALA A 74 10.375 6.291 3.326 1.00 43.34 N ATOM 1247 CA ALA A 74 9.091 6.961 3.098 1.00 40.31 C ATOM 1248 C ALA A 74 8.940 7.371 1.614 1.00 63.13 C ATOM 1249 O ALA A 74 7.972 6.992 0.963 1.00 42.32 O ATOM 1250 CB ALA A 74 8.960 8.178 4.022 1.00 14.10 C ATOM 0 H ALA A 74 10.948 6.729 4.047 1.00 43.34 H new ATOM 0 HA ALA A 74 8.287 6.263 3.332 1.00 40.31 H new ATOM 0 HB1 ALA A 74 8.003 8.668 3.844 1.00 14.10 H new ATOM 0 HB2 ALA A 74 9.014 7.853 5.061 1.00 14.10 H new ATOM 0 HB3 ALA A 74 9.770 8.879 3.818 1.00 14.10 H new ATOM 1256 N LYS A 75 9.947 8.107 1.102 1.00 13.31 N ATOM 1257 CA LYS A 75 9.996 8.604 -0.297 1.00 64.32 C ATOM 1258 C LYS A 75 10.126 7.455 -1.329 1.00 64.11 C ATOM 1259 O LYS A 75 9.539 7.510 -2.418 1.00 3.43 O ATOM 1260 CB LYS A 75 11.202 9.568 -0.446 1.00 4.20 C ATOM 1261 CG LYS A 75 11.179 10.768 0.528 1.00 60.01 C ATOM 1262 CD LYS A 75 12.402 11.698 0.367 1.00 12.15 C ATOM 1263 CE LYS A 75 12.365 12.875 1.356 1.00 21.43 C ATOM 1264 NZ LYS A 75 12.360 12.420 2.775 1.00 70.20 N ATOM 0 H LYS A 75 10.762 8.379 1.652 1.00 13.31 H new ATOM 0 HA LYS A 75 9.057 9.119 -0.501 1.00 64.32 H new ATOM 0 HB2 LYS A 75 12.123 9.006 -0.291 1.00 4.20 H new ATOM 0 HB3 LYS A 75 11.227 9.945 -1.468 1.00 4.20 H new ATOM 0 HG2 LYS A 75 10.268 11.344 0.366 1.00 60.01 H new ATOM 0 HG3 LYS A 75 11.144 10.397 1.552 1.00 60.01 H new ATOM 0 HD2 LYS A 75 13.316 11.124 0.520 1.00 12.15 H new ATOM 0 HD3 LYS A 75 12.434 12.082 -0.653 1.00 12.15 H new ATOM 0 HE2 LYS A 75 13.229 13.517 1.186 1.00 21.43 H new ATOM 0 HE3 LYS A 75 11.477 13.478 1.167 1.00 21.43 H new ATOM 0 HZ1 LYS A 75 13.083 12.943 3.310 1.00 70.20 H new ATOM 0 HZ2 LYS A 75 11.424 12.597 3.193 1.00 70.20 H new ATOM 0 HZ3 LYS A 75 12.570 11.402 2.814 1.00 70.20 H new ATOM 1278 N LYS A 76 10.941 6.453 -0.970 1.00 14.12 N ATOM 1279 CA LYS A 76 11.242 5.258 -1.789 1.00 12.34 C ATOM 1280 C LYS A 76 9.948 4.512 -2.112 1.00 53.22 C ATOM 1281 O LYS A 76 9.597 4.285 -3.279 1.00 4.30 O ATOM 1282 CB LYS A 76 12.205 4.331 -0.984 1.00 63.32 C ATOM 1283 CG LYS A 76 12.639 3.022 -1.683 1.00 41.31 C ATOM 1284 CD LYS A 76 13.235 1.991 -0.685 1.00 43.44 C ATOM 1285 CE LYS A 76 14.440 2.522 0.117 1.00 22.01 C ATOM 1286 NZ LYS A 76 14.924 1.518 1.110 1.00 31.51 N ATOM 0 H LYS A 76 11.427 6.447 -0.073 1.00 14.12 H new ATOM 0 HA LYS A 76 11.714 5.557 -2.725 1.00 12.34 H new ATOM 0 HB2 LYS A 76 13.101 4.900 -0.737 1.00 63.32 H new ATOM 0 HB3 LYS A 76 11.722 4.072 -0.042 1.00 63.32 H new ATOM 0 HG2 LYS A 76 11.780 2.581 -2.189 1.00 41.31 H new ATOM 0 HG3 LYS A 76 13.378 3.250 -2.451 1.00 41.31 H new ATOM 0 HD2 LYS A 76 12.456 1.682 0.011 1.00 43.44 H new ATOM 0 HD3 LYS A 76 13.541 1.102 -1.236 1.00 43.44 H new ATOM 0 HE2 LYS A 76 15.249 2.777 -0.567 1.00 22.01 H new ATOM 0 HE3 LYS A 76 14.158 3.439 0.634 1.00 22.01 H new ATOM 0 HZ1 LYS A 76 15.963 1.488 1.095 1.00 31.51 H new ATOM 0 HZ2 LYS A 76 14.599 1.786 2.061 1.00 31.51 H new ATOM 0 HZ3 LYS A 76 14.547 0.580 0.867 1.00 31.51 H new ATOM 1300 N PHE A 77 9.235 4.195 -1.032 1.00 23.22 N ATOM 1301 CA PHE A 77 7.990 3.442 -1.069 1.00 61.42 C ATOM 1302 C PHE A 77 6.852 4.317 -1.615 1.00 5.30 C ATOM 1303 O PHE A 77 5.906 3.797 -2.186 1.00 24.04 O ATOM 1304 CB PHE A 77 7.680 2.921 0.358 1.00 24.31 C ATOM 1305 CG PHE A 77 6.702 1.760 0.398 1.00 13.22 C ATOM 1306 CD1 PHE A 77 7.049 0.533 -0.169 1.00 74.54 C ATOM 1307 CD2 PHE A 77 5.450 1.881 0.999 1.00 25.53 C ATOM 1308 CE1 PHE A 77 6.175 -0.526 -0.137 1.00 1.31 C ATOM 1309 CE2 PHE A 77 4.579 0.814 1.029 1.00 31.22 C ATOM 1310 CZ PHE A 77 4.942 -0.384 0.460 1.00 74.13 C ATOM 0 H PHE A 77 9.516 4.462 -0.089 1.00 23.22 H new ATOM 0 HA PHE A 77 8.087 2.588 -1.740 1.00 61.42 H new ATOM 0 HB2 PHE A 77 8.613 2.612 0.830 1.00 24.31 H new ATOM 0 HB3 PHE A 77 7.278 3.741 0.953 1.00 24.31 H new ATOM 0 HD1 PHE A 77 8.015 0.415 -0.638 1.00 74.54 H new ATOM 0 HD2 PHE A 77 5.160 2.821 1.446 1.00 25.53 H new ATOM 0 HE1 PHE A 77 6.455 -1.470 -0.580 1.00 1.31 H new ATOM 0 HE2 PHE A 77 3.612 0.918 1.499 1.00 31.22 H new ATOM 0 HZ PHE A 77 4.256 -1.218 0.481 1.00 74.13 H new ATOM 1320 N ALA A 78 6.981 5.647 -1.442 1.00 41.01 N ATOM 1321 CA ALA A 78 6.032 6.630 -1.984 1.00 73.34 C ATOM 1322 C ALA A 78 6.037 6.614 -3.514 1.00 53.45 C ATOM 1323 O ALA A 78 4.976 6.640 -4.136 1.00 52.32 O ATOM 1324 CB ALA A 78 6.363 8.035 -1.470 1.00 15.24 C ATOM 0 H ALA A 78 7.750 6.068 -0.920 1.00 41.01 H new ATOM 0 HA ALA A 78 5.034 6.356 -1.643 1.00 73.34 H new ATOM 0 HB1 ALA A 78 5.651 8.750 -1.881 1.00 15.24 H new ATOM 0 HB2 ALA A 78 6.303 8.048 -0.382 1.00 15.24 H new ATOM 0 HB3 ALA A 78 7.371 8.308 -1.781 1.00 15.24 H new ATOM 1330 N ALA A 79 7.246 6.577 -4.106 1.00 41.02 N ATOM 1331 CA ALA A 79 7.431 6.520 -5.564 1.00 50.03 C ATOM 1332 C ALA A 79 6.807 5.244 -6.155 1.00 44.34 C ATOM 1333 O ALA A 79 6.144 5.294 -7.198 1.00 41.10 O ATOM 1334 CB ALA A 79 8.930 6.603 -5.904 1.00 44.41 C ATOM 0 H ALA A 79 8.122 6.586 -3.583 1.00 41.02 H new ATOM 0 HA ALA A 79 6.919 7.372 -6.011 1.00 50.03 H new ATOM 0 HB1 ALA A 79 9.061 6.560 -6.985 1.00 44.41 H new ATOM 0 HB2 ALA A 79 9.337 7.541 -5.526 1.00 44.41 H new ATOM 0 HB3 ALA A 79 9.455 5.767 -5.442 1.00 44.41 H new ATOM 1340 N ILE A 80 7.028 4.106 -5.464 1.00 3.55 N ATOM 1341 CA ILE A 80 6.469 2.799 -5.869 1.00 33.40 C ATOM 1342 C ILE A 80 4.929 2.799 -5.742 1.00 25.45 C ATOM 1343 O ILE A 80 4.235 2.371 -6.667 1.00 11.34 O ATOM 1344 CB ILE A 80 7.099 1.619 -5.029 1.00 24.21 C ATOM 1345 CG1 ILE A 80 8.656 1.629 -5.157 1.00 53.10 C ATOM 1346 CG2 ILE A 80 6.533 0.238 -5.446 1.00 53.41 C ATOM 1347 CD1 ILE A 80 9.192 1.495 -6.581 1.00 72.51 C ATOM 0 H ILE A 80 7.594 4.067 -4.616 1.00 3.55 H new ATOM 0 HA ILE A 80 6.728 2.637 -6.915 1.00 33.40 H new ATOM 0 HB ILE A 80 6.824 1.782 -3.987 1.00 24.21 H new ATOM 0 HG12 ILE A 80 9.034 2.558 -4.730 1.00 53.10 H new ATOM 0 HG13 ILE A 80 9.059 0.814 -4.556 1.00 53.10 H new ATOM 0 HG21 ILE A 80 6.995 -0.542 -4.841 1.00 53.41 H new ATOM 0 HG22 ILE A 80 5.454 0.225 -5.292 1.00 53.41 H new ATOM 0 HG23 ILE A 80 6.751 0.058 -6.499 1.00 53.41 H new ATOM 0 HD11 ILE A 80 10.282 1.513 -6.563 1.00 72.51 H new ATOM 0 HD12 ILE A 80 8.852 0.553 -7.011 1.00 72.51 H new ATOM 0 HD13 ILE A 80 8.826 2.324 -7.187 1.00 72.51 H new ATOM 1359 N LEU A 81 4.409 3.342 -4.617 1.00 22.13 N ATOM 1360 CA LEU A 81 2.955 3.414 -4.344 1.00 33.34 C ATOM 1361 C LEU A 81 2.249 4.323 -5.361 1.00 30.52 C ATOM 1362 O LEU A 81 1.132 4.038 -5.771 1.00 63.41 O ATOM 1363 CB LEU A 81 2.687 3.939 -2.901 1.00 25.23 C ATOM 1364 CG LEU A 81 2.852 2.913 -1.737 1.00 60.31 C ATOM 1365 CD1 LEU A 81 2.669 3.607 -0.372 1.00 41.54 C ATOM 1366 CD2 LEU A 81 1.875 1.724 -1.887 1.00 54.22 C ATOM 0 H LEU A 81 4.984 3.741 -3.875 1.00 22.13 H new ATOM 0 HA LEU A 81 2.554 2.405 -4.435 1.00 33.34 H new ATOM 0 HB2 LEU A 81 3.359 4.776 -2.714 1.00 25.23 H new ATOM 0 HB3 LEU A 81 1.671 4.332 -2.866 1.00 25.23 H new ATOM 0 HG LEU A 81 3.865 2.513 -1.787 1.00 60.31 H new ATOM 0 HD11 LEU A 81 2.788 2.875 0.427 1.00 41.54 H new ATOM 0 HD12 LEU A 81 3.417 4.392 -0.260 1.00 41.54 H new ATOM 0 HD13 LEU A 81 1.673 4.045 -0.317 1.00 41.54 H new ATOM 0 HD21 LEU A 81 2.018 1.029 -1.059 1.00 54.22 H new ATOM 0 HD22 LEU A 81 0.849 2.093 -1.879 1.00 54.22 H new ATOM 0 HD23 LEU A 81 2.068 1.211 -2.829 1.00 54.22 H new ATOM 1378 N ASN A 82 2.937 5.410 -5.748 1.00 31.20 N ATOM 1379 CA ASN A 82 2.444 6.400 -6.728 1.00 3.41 C ATOM 1380 C ASN A 82 2.069 5.701 -8.049 1.00 54.22 C ATOM 1381 O ASN A 82 0.997 5.948 -8.620 1.00 42.53 O ATOM 1382 CB ASN A 82 3.534 7.488 -6.952 1.00 41.51 C ATOM 1383 CG ASN A 82 3.211 8.484 -8.072 1.00 21.13 C ATOM 1384 OD1 ASN A 82 3.626 8.304 -9.221 1.00 32.55 O ATOM 1385 ND2 ASN A 82 2.460 9.531 -7.751 1.00 30.21 N ATOM 0 H ASN A 82 3.864 5.631 -5.386 1.00 31.20 H new ATOM 0 HA ASN A 82 1.545 6.883 -6.344 1.00 3.41 H new ATOM 0 HB2 ASN A 82 3.677 8.039 -6.022 1.00 41.51 H new ATOM 0 HB3 ASN A 82 4.480 6.996 -7.180 1.00 41.51 H new ATOM 0 HD21 ASN A 82 2.209 10.217 -8.464 1.00 30.21 H new ATOM 0 HD22 ASN A 82 2.134 9.650 -6.792 1.00 30.21 H new ATOM 1392 N LYS A 83 2.956 4.790 -8.476 1.00 12.13 N ATOM 1393 CA LYS A 83 2.760 3.979 -9.682 1.00 35.41 C ATOM 1394 C LYS A 83 1.602 2.979 -9.492 1.00 42.21 C ATOM 1395 O LYS A 83 0.728 2.881 -10.349 1.00 1.12 O ATOM 1396 CB LYS A 83 4.079 3.233 -10.034 1.00 55.10 C ATOM 1397 CG LYS A 83 5.296 4.163 -10.230 1.00 55.13 C ATOM 1398 CD LYS A 83 5.071 5.206 -11.347 1.00 51.24 C ATOM 1399 CE LYS A 83 6.226 6.208 -11.472 1.00 75.20 C ATOM 1400 NZ LYS A 83 7.522 5.545 -11.759 1.00 75.52 N ATOM 0 H LYS A 83 3.832 4.596 -7.991 1.00 12.13 H new ATOM 0 HA LYS A 83 2.495 4.639 -10.508 1.00 35.41 H new ATOM 0 HB2 LYS A 83 4.304 2.521 -9.240 1.00 55.10 H new ATOM 0 HB3 LYS A 83 3.925 2.656 -10.946 1.00 55.10 H new ATOM 0 HG2 LYS A 83 5.509 4.679 -9.294 1.00 55.13 H new ATOM 0 HG3 LYS A 83 6.173 3.562 -10.470 1.00 55.13 H new ATOM 0 HD2 LYS A 83 4.941 4.690 -12.298 1.00 51.24 H new ATOM 0 HD3 LYS A 83 4.146 5.748 -11.149 1.00 51.24 H new ATOM 0 HE2 LYS A 83 6.001 6.920 -12.266 1.00 75.20 H new ATOM 0 HE3 LYS A 83 6.310 6.779 -10.547 1.00 75.20 H new ATOM 0 HZ1 LYS A 83 8.257 6.267 -11.901 1.00 75.52 H new ATOM 0 HZ2 LYS A 83 7.785 4.936 -10.958 1.00 75.52 H new ATOM 0 HZ3 LYS A 83 7.433 4.967 -12.619 1.00 75.52 H new ATOM 1414 N VAL A 84 1.578 2.302 -8.327 1.00 22.32 N ATOM 1415 CA VAL A 84 0.643 1.192 -8.053 1.00 22.45 C ATOM 1416 C VAL A 84 -0.815 1.696 -7.983 1.00 43.14 C ATOM 1417 O VAL A 84 -1.708 1.101 -8.588 1.00 73.22 O ATOM 1418 CB VAL A 84 1.044 0.438 -6.728 1.00 0.32 C ATOM 1419 CG1 VAL A 84 -0.017 -0.605 -6.309 1.00 44.11 C ATOM 1420 CG2 VAL A 84 2.435 -0.229 -6.885 1.00 34.33 C ATOM 0 H VAL A 84 2.206 2.509 -7.550 1.00 22.32 H new ATOM 0 HA VAL A 84 0.710 0.484 -8.879 1.00 22.45 H new ATOM 0 HB VAL A 84 1.096 1.181 -5.932 1.00 0.32 H new ATOM 0 HG11 VAL A 84 0.302 -1.100 -5.391 1.00 44.11 H new ATOM 0 HG12 VAL A 84 -0.971 -0.106 -6.140 1.00 44.11 H new ATOM 0 HG13 VAL A 84 -0.131 -1.346 -7.100 1.00 44.11 H new ATOM 0 HG21 VAL A 84 2.697 -0.745 -5.962 1.00 34.33 H new ATOM 0 HG22 VAL A 84 2.404 -0.946 -7.705 1.00 34.33 H new ATOM 0 HG23 VAL A 84 3.183 0.535 -7.098 1.00 34.33 H new ATOM 1430 N PHE A 85 -1.028 2.811 -7.260 1.00 4.43 N ATOM 1431 CA PHE A 85 -2.347 3.471 -7.159 1.00 42.25 C ATOM 1432 C PHE A 85 -2.836 3.927 -8.547 1.00 13.14 C ATOM 1433 O PHE A 85 -4.019 3.800 -8.865 1.00 72.45 O ATOM 1434 CB PHE A 85 -2.306 4.675 -6.176 1.00 4.43 C ATOM 1435 CG PHE A 85 -1.967 4.306 -4.727 1.00 4.10 C ATOM 1436 CD1 PHE A 85 -2.506 3.163 -4.129 1.00 61.01 C ATOM 1437 CD2 PHE A 85 -1.113 5.102 -3.962 1.00 4.04 C ATOM 1438 CE1 PHE A 85 -2.201 2.834 -2.823 1.00 43.22 C ATOM 1439 CE2 PHE A 85 -0.811 4.768 -2.656 1.00 2.10 C ATOM 1440 CZ PHE A 85 -1.352 3.634 -2.090 1.00 11.51 C ATOM 0 H PHE A 85 -0.294 3.280 -6.730 1.00 4.43 H new ATOM 0 HA PHE A 85 -3.052 2.739 -6.764 1.00 42.25 H new ATOM 0 HB2 PHE A 85 -1.571 5.395 -6.535 1.00 4.43 H new ATOM 0 HB3 PHE A 85 -3.275 5.174 -6.193 1.00 4.43 H new ATOM 0 HD1 PHE A 85 -3.170 2.528 -4.697 1.00 61.01 H new ATOM 0 HD2 PHE A 85 -0.682 5.992 -4.397 1.00 4.04 H new ATOM 0 HE1 PHE A 85 -2.628 1.949 -2.376 1.00 43.22 H new ATOM 0 HE2 PHE A 85 -0.150 5.397 -2.078 1.00 2.10 H new ATOM 0 HZ PHE A 85 -1.110 3.372 -1.071 1.00 11.51 H new ATOM 1450 N ALA A 86 -1.899 4.421 -9.377 1.00 53.35 N ATOM 1451 CA ALA A 86 -2.186 4.824 -10.771 1.00 14.32 C ATOM 1452 C ALA A 86 -2.545 3.605 -11.650 1.00 34.21 C ATOM 1453 O ALA A 86 -3.298 3.731 -12.617 1.00 63.10 O ATOM 1454 CB ALA A 86 -0.989 5.582 -11.360 1.00 65.24 C ATOM 0 H ALA A 86 -0.925 4.553 -9.104 1.00 53.35 H new ATOM 0 HA ALA A 86 -3.052 5.486 -10.759 1.00 14.32 H new ATOM 0 HB1 ALA A 86 -1.212 5.873 -12.386 1.00 65.24 H new ATOM 0 HB2 ALA A 86 -0.794 6.473 -10.764 1.00 65.24 H new ATOM 0 HB3 ALA A 86 -0.109 4.938 -11.349 1.00 65.24 H new ATOM 1460 N GLU A 87 -2.010 2.426 -11.286 1.00 50.53 N ATOM 1461 CA GLU A 87 -2.301 1.148 -11.975 1.00 62.32 C ATOM 1462 C GLU A 87 -3.631 0.547 -11.469 1.00 71.04 C ATOM 1463 O GLU A 87 -4.189 -0.340 -12.112 1.00 22.00 O ATOM 1464 CB GLU A 87 -1.138 0.141 -11.755 1.00 75.22 C ATOM 1465 CG GLU A 87 0.209 0.582 -12.370 1.00 40.43 C ATOM 1466 CD GLU A 87 1.378 -0.339 -11.990 1.00 5.10 C ATOM 1467 OE1 GLU A 87 1.932 -0.193 -10.878 1.00 60.12 O ATOM 1468 OE2 GLU A 87 1.742 -1.221 -12.796 1.00 4.53 O ATOM 0 H GLU A 87 -1.362 2.328 -10.505 1.00 50.53 H new ATOM 0 HA GLU A 87 -2.397 1.347 -13.042 1.00 62.32 H new ATOM 0 HB2 GLU A 87 -1.003 -0.012 -10.684 1.00 75.22 H new ATOM 0 HB3 GLU A 87 -1.421 -0.822 -12.181 1.00 75.22 H new ATOM 0 HG2 GLU A 87 0.114 0.609 -13.456 1.00 40.43 H new ATOM 0 HG3 GLU A 87 0.434 1.598 -12.045 1.00 40.43 H new ATOM 1475 N LEU A 88 -4.133 1.059 -10.326 1.00 45.45 N ATOM 1476 CA LEU A 88 -5.373 0.576 -9.685 1.00 21.53 C ATOM 1477 C LEU A 88 -6.520 1.600 -9.863 1.00 63.43 C ATOM 1478 O LEU A 88 -7.652 1.353 -9.424 1.00 24.41 O ATOM 1479 CB LEU A 88 -5.116 0.292 -8.180 1.00 53.42 C ATOM 1480 CG LEU A 88 -4.087 -0.841 -7.862 1.00 73.33 C ATOM 1481 CD1 LEU A 88 -3.848 -0.972 -6.343 1.00 73.42 C ATOM 1482 CD2 LEU A 88 -4.518 -2.185 -8.483 1.00 71.21 C ATOM 0 H LEU A 88 -3.687 1.823 -9.819 1.00 45.45 H new ATOM 0 HA LEU A 88 -5.677 -0.352 -10.169 1.00 21.53 H new ATOM 0 HB2 LEU A 88 -4.769 1.213 -7.711 1.00 53.42 H new ATOM 0 HB3 LEU A 88 -6.066 0.034 -7.712 1.00 53.42 H new ATOM 0 HG LEU A 88 -3.139 -0.560 -8.320 1.00 73.33 H new ATOM 0 HD11 LEU A 88 -3.128 -1.768 -6.155 1.00 73.42 H new ATOM 0 HD12 LEU A 88 -3.459 -0.031 -5.953 1.00 73.42 H new ATOM 0 HD13 LEU A 88 -4.789 -1.209 -5.846 1.00 73.42 H new ATOM 0 HD21 LEU A 88 -3.780 -2.950 -8.242 1.00 71.21 H new ATOM 0 HD22 LEU A 88 -5.488 -2.477 -8.081 1.00 71.21 H new ATOM 0 HD23 LEU A 88 -4.591 -2.079 -9.565 1.00 71.21 H new ATOM 1494 N GLY A 89 -6.206 2.749 -10.495 1.00 14.23 N ATOM 1495 CA GLY A 89 -7.202 3.771 -10.821 1.00 2.52 C ATOM 1496 C GLY A 89 -7.545 4.708 -9.671 1.00 71.42 C ATOM 1497 O GLY A 89 -8.601 5.338 -9.690 1.00 71.43 O ATOM 0 H GLY A 89 -5.259 2.987 -10.789 1.00 14.23 H new ATOM 0 HA2 GLY A 89 -6.835 4.364 -11.659 1.00 2.52 H new ATOM 0 HA3 GLY A 89 -8.115 3.277 -11.155 1.00 2.52 H new ATOM 1501 N TYR A 90 -6.670 4.783 -8.653 1.00 71.11 N ATOM 1502 CA TYR A 90 -6.801 5.758 -7.546 1.00 71.13 C ATOM 1503 C TYR A 90 -6.071 7.054 -7.919 1.00 34.43 C ATOM 1504 O TYR A 90 -4.955 7.015 -8.458 1.00 54.13 O ATOM 1505 CB TYR A 90 -6.222 5.191 -6.221 1.00 25.42 C ATOM 1506 CG TYR A 90 -6.762 3.810 -5.838 1.00 50.32 C ATOM 1507 CD1 TYR A 90 -8.120 3.499 -5.970 1.00 32.42 C ATOM 1508 CD2 TYR A 90 -5.910 2.809 -5.366 1.00 31.32 C ATOM 1509 CE1 TYR A 90 -8.598 2.247 -5.648 1.00 1.33 C ATOM 1510 CE2 TYR A 90 -6.386 1.556 -5.050 1.00 33.21 C ATOM 1511 CZ TYR A 90 -7.727 1.284 -5.189 1.00 43.33 C ATOM 1512 OH TYR A 90 -8.193 0.026 -4.903 1.00 62.35 O ATOM 0 H TYR A 90 -5.855 4.175 -8.571 1.00 71.11 H new ATOM 0 HA TYR A 90 -7.861 5.960 -7.390 1.00 71.13 H new ATOM 0 HB2 TYR A 90 -5.137 5.133 -6.308 1.00 25.42 H new ATOM 0 HB3 TYR A 90 -6.440 5.890 -5.414 1.00 25.42 H new ATOM 0 HD1 TYR A 90 -8.805 4.252 -6.330 1.00 32.42 H new ATOM 0 HD2 TYR A 90 -4.858 3.022 -5.247 1.00 31.32 H new ATOM 0 HE1 TYR A 90 -9.649 2.023 -5.755 1.00 1.33 H new ATOM 0 HE2 TYR A 90 -5.710 0.792 -4.695 1.00 33.21 H new ATOM 0 HH TYR A 90 -7.940 -0.216 -3.988 1.00 62.35 H new ATOM 1522 N ASN A 91 -6.708 8.192 -7.612 1.00 44.51 N ATOM 1523 CA ASN A 91 -6.201 9.529 -7.963 1.00 21.31 C ATOM 1524 C ASN A 91 -5.123 9.972 -6.952 1.00 74.53 C ATOM 1525 O ASN A 91 -5.165 9.574 -5.781 1.00 33.13 O ATOM 1526 CB ASN A 91 -7.387 10.527 -8.004 1.00 10.15 C ATOM 1527 CG ASN A 91 -7.019 11.912 -8.546 1.00 73.23 C ATOM 1528 OD1 ASN A 91 -6.654 12.804 -7.793 1.00 43.53 O ATOM 1529 ND2 ASN A 91 -7.118 12.108 -9.851 1.00 32.32 N ATOM 0 H ASN A 91 -7.596 8.213 -7.110 1.00 44.51 H new ATOM 0 HA ASN A 91 -5.735 9.503 -8.948 1.00 21.31 H new ATOM 0 HB2 ASN A 91 -8.181 10.106 -8.621 1.00 10.15 H new ATOM 0 HB3 ASN A 91 -7.790 10.638 -6.997 1.00 10.15 H new ATOM 0 HD21 ASN A 91 -6.888 13.018 -10.249 1.00 32.32 H new ATOM 0 HD22 ASN A 91 -7.425 11.349 -10.459 1.00 32.32 H new ATOM 1536 N ASP A 92 -4.167 10.806 -7.414 1.00 22.21 N ATOM 1537 CA ASP A 92 -3.012 11.271 -6.605 1.00 64.02 C ATOM 1538 C ASP A 92 -3.447 12.195 -5.450 1.00 32.24 C ATOM 1539 O ASP A 92 -2.795 12.231 -4.400 1.00 1.21 O ATOM 1540 CB ASP A 92 -1.981 11.996 -7.512 1.00 71.33 C ATOM 1541 CG ASP A 92 -1.309 11.059 -8.527 1.00 12.45 C ATOM 1542 OD1 ASP A 92 -0.309 10.402 -8.171 1.00 53.33 O ATOM 1543 OD2 ASP A 92 -1.777 10.979 -9.684 1.00 14.24 O ATOM 0 H ASP A 92 -4.172 11.179 -8.363 1.00 22.21 H new ATOM 0 HA ASP A 92 -2.549 10.390 -6.161 1.00 64.02 H new ATOM 0 HB2 ASP A 92 -2.481 12.803 -8.047 1.00 71.33 H new ATOM 0 HB3 ASP A 92 -1.215 12.454 -6.887 1.00 71.33 H new ATOM 1548 N SER A 93 -4.531 12.958 -5.671 1.00 0.34 N ATOM 1549 CA SER A 93 -5.150 13.806 -4.627 1.00 72.25 C ATOM 1550 C SER A 93 -5.598 12.983 -3.393 1.00 32.14 C ATOM 1551 O SER A 93 -5.639 13.510 -2.282 1.00 12.22 O ATOM 1552 CB SER A 93 -6.343 14.586 -5.216 1.00 41.12 C ATOM 1553 OG SER A 93 -5.952 15.290 -6.388 1.00 23.33 O ATOM 0 H SER A 93 -5.004 13.007 -6.573 1.00 0.34 H new ATOM 0 HA SER A 93 -4.391 14.510 -4.285 1.00 72.25 H new ATOM 0 HB2 SER A 93 -7.154 13.897 -5.453 1.00 41.12 H new ATOM 0 HB3 SER A 93 -6.727 15.287 -4.475 1.00 41.12 H new ATOM 0 HG SER A 93 -6.074 14.714 -7.172 1.00 23.33 H new ATOM 1559 N ASN A 94 -5.908 11.685 -3.603 1.00 13.03 N ATOM 1560 CA ASN A 94 -6.328 10.766 -2.515 1.00 70.42 C ATOM 1561 C ASN A 94 -5.121 10.335 -1.654 1.00 0.13 C ATOM 1562 O ASN A 94 -5.286 9.955 -0.501 1.00 24.22 O ATOM 1563 CB ASN A 94 -7.030 9.504 -3.098 1.00 12.03 C ATOM 1564 CG ASN A 94 -8.200 9.813 -4.042 1.00 65.14 C ATOM 1565 OD1 ASN A 94 -8.829 10.865 -3.960 1.00 23.40 O ATOM 1566 ND2 ASN A 94 -8.524 8.878 -4.924 1.00 43.42 N ATOM 0 H ASN A 94 -5.876 11.245 -4.522 1.00 13.03 H new ATOM 0 HA ASN A 94 -7.033 11.307 -1.884 1.00 70.42 H new ATOM 0 HB2 ASN A 94 -6.292 8.908 -3.635 1.00 12.03 H new ATOM 0 HB3 ASN A 94 -7.395 8.892 -2.273 1.00 12.03 H new ATOM 0 HD21 ASN A 94 -9.312 9.023 -5.555 1.00 43.42 H new ATOM 0 HD22 ASN A 94 -7.985 8.013 -4.972 1.00 43.42 H new ATOM 1573 N VAL A 95 -3.912 10.427 -2.227 1.00 35.15 N ATOM 1574 CA VAL A 95 -2.668 9.896 -1.636 1.00 1.24 C ATOM 1575 C VAL A 95 -1.993 10.990 -0.778 1.00 52.35 C ATOM 1576 O VAL A 95 -1.435 11.948 -1.323 1.00 71.24 O ATOM 1577 CB VAL A 95 -1.698 9.407 -2.785 1.00 34.14 C ATOM 1578 CG1 VAL A 95 -0.409 8.775 -2.222 1.00 1.21 C ATOM 1579 CG2 VAL A 95 -2.427 8.439 -3.755 1.00 14.24 C ATOM 0 H VAL A 95 -3.765 10.880 -3.129 1.00 35.15 H new ATOM 0 HA VAL A 95 -2.901 9.046 -0.995 1.00 1.24 H new ATOM 0 HB VAL A 95 -1.397 10.288 -3.353 1.00 34.14 H new ATOM 0 HG11 VAL A 95 0.228 8.453 -3.046 1.00 1.21 H new ATOM 0 HG12 VAL A 95 0.123 9.510 -1.618 1.00 1.21 H new ATOM 0 HG13 VAL A 95 -0.666 7.914 -1.604 1.00 1.21 H new ATOM 0 HG21 VAL A 95 -1.737 8.118 -4.535 1.00 14.24 H new ATOM 0 HG22 VAL A 95 -2.781 7.568 -3.203 1.00 14.24 H new ATOM 0 HG23 VAL A 95 -3.276 8.950 -4.209 1.00 14.24 H new ATOM 1589 N THR A 96 -2.073 10.861 0.563 1.00 70.45 N ATOM 1590 CA THR A 96 -1.578 11.889 1.503 1.00 44.34 C ATOM 1591 C THR A 96 -0.660 11.267 2.586 1.00 23.13 C ATOM 1592 O THR A 96 -1.122 10.489 3.421 1.00 3.15 O ATOM 1593 CB THR A 96 -2.796 12.612 2.179 1.00 71.41 C ATOM 1594 OG1 THR A 96 -3.737 13.024 1.168 1.00 14.43 O ATOM 1595 CG2 THR A 96 -2.371 13.837 2.998 1.00 24.34 C ATOM 0 H THR A 96 -2.480 10.046 1.023 1.00 70.45 H new ATOM 0 HA THR A 96 -0.988 12.613 0.941 1.00 44.34 H new ATOM 0 HB THR A 96 -3.254 11.898 2.863 1.00 71.41 H new ATOM 0 HG1 THR A 96 -4.497 13.474 1.593 1.00 14.43 H new ATOM 0 HG21 THR A 96 -3.251 14.300 3.444 1.00 24.34 H new ATOM 0 HG22 THR A 96 -1.685 13.527 3.787 1.00 24.34 H new ATOM 0 HG23 THR A 96 -1.874 14.556 2.346 1.00 24.34 H new ATOM 1603 N TRP A 97 0.641 11.612 2.555 1.00 25.45 N ATOM 1604 CA TRP A 97 1.638 11.150 3.550 1.00 43.14 C ATOM 1605 C TRP A 97 1.684 12.088 4.778 1.00 35.01 C ATOM 1606 O TRP A 97 2.007 13.272 4.648 1.00 25.13 O ATOM 1607 CB TRP A 97 3.058 11.064 2.912 1.00 60.31 C ATOM 1608 CG TRP A 97 3.274 9.868 2.006 1.00 2.51 C ATOM 1609 CD1 TRP A 97 2.922 9.740 0.689 1.00 72.03 C ATOM 1610 CD2 TRP A 97 3.906 8.623 2.369 1.00 51.03 C ATOM 1611 NE1 TRP A 97 3.281 8.497 0.224 1.00 61.33 N ATOM 1612 CE2 TRP A 97 3.891 7.795 1.234 1.00 13.12 C ATOM 1613 CE3 TRP A 97 4.484 8.134 3.547 1.00 20.44 C ATOM 1614 CZ2 TRP A 97 4.431 6.505 1.241 1.00 72.12 C ATOM 1615 CZ3 TRP A 97 5.015 6.855 3.555 1.00 3.11 C ATOM 1616 CH2 TRP A 97 4.986 6.052 2.407 1.00 25.30 C ATOM 0 H TRP A 97 1.036 12.221 1.838 1.00 25.45 H new ATOM 0 HA TRP A 97 1.330 10.158 3.879 1.00 43.14 H new ATOM 0 HB2 TRP A 97 3.240 11.974 2.340 1.00 60.31 H new ATOM 0 HB3 TRP A 97 3.799 11.036 3.711 1.00 60.31 H new ATOM 0 HD1 TRP A 97 2.434 10.504 0.102 1.00 72.03 H new ATOM 0 HE1 TRP A 97 3.120 8.151 -0.722 1.00 61.33 H new ATOM 0 HE3 TRP A 97 4.515 8.746 4.437 1.00 20.44 H new ATOM 0 HZ2 TRP A 97 4.411 5.887 0.356 1.00 72.12 H new ATOM 0 HZ3 TRP A 97 5.459 6.470 4.461 1.00 3.11 H new ATOM 0 HH2 TRP A 97 5.409 5.059 2.443 1.00 25.30 H new ATOM 1627 N ASP A 98 1.382 11.529 5.965 1.00 4.11 N ATOM 1628 CA ASP A 98 1.529 12.208 7.271 1.00 24.41 C ATOM 1629 C ASP A 98 2.122 11.216 8.274 1.00 13.30 C ATOM 1630 O ASP A 98 1.488 10.199 8.576 1.00 21.45 O ATOM 1631 CB ASP A 98 0.167 12.744 7.803 1.00 33.05 C ATOM 1632 CG ASP A 98 -0.379 13.933 7.004 1.00 24.40 C ATOM 1633 OD1 ASP A 98 0.082 15.076 7.231 1.00 71.43 O ATOM 1634 OD2 ASP A 98 -1.268 13.738 6.151 1.00 23.43 O ATOM 0 H ASP A 98 1.023 10.578 6.047 1.00 4.11 H new ATOM 0 HA ASP A 98 2.189 13.066 7.143 1.00 24.41 H new ATOM 0 HB2 ASP A 98 -0.565 11.936 7.782 1.00 33.05 H new ATOM 0 HB3 ASP A 98 0.285 13.041 8.845 1.00 33.05 H new ATOM 1639 N GLY A 99 3.352 11.510 8.750 1.00 41.25 N ATOM 1640 CA GLY A 99 4.020 10.706 9.786 1.00 33.05 C ATOM 1641 C GLY A 99 4.336 9.278 9.344 1.00 71.34 C ATOM 1642 O GLY A 99 4.057 8.329 10.079 1.00 14.31 O ATOM 0 H GLY A 99 3.902 12.306 8.427 1.00 41.25 H new ATOM 0 HA2 GLY A 99 4.947 11.201 10.077 1.00 33.05 H new ATOM 0 HA3 GLY A 99 3.386 10.671 10.672 1.00 33.05 H new ATOM 1646 N ASP A 100 4.851 9.146 8.099 1.00 11.04 N ATOM 1647 CA ASP A 100 5.246 7.856 7.472 1.00 40.43 C ATOM 1648 C ASP A 100 4.037 6.915 7.295 1.00 63.13 C ATOM 1649 O ASP A 100 4.189 5.712 7.073 1.00 61.23 O ATOM 1650 CB ASP A 100 6.418 7.175 8.251 1.00 4.44 C ATOM 1651 CG ASP A 100 7.764 7.902 8.073 1.00 31.33 C ATOM 1652 OD1 ASP A 100 7.897 9.048 8.556 1.00 61.42 O ATOM 1653 OD2 ASP A 100 8.698 7.324 7.471 1.00 74.52 O ATOM 0 H ASP A 100 5.008 9.947 7.488 1.00 11.04 H new ATOM 0 HA ASP A 100 5.618 8.078 6.472 1.00 40.43 H new ATOM 0 HB2 ASP A 100 6.169 7.139 9.312 1.00 4.44 H new ATOM 0 HB3 ASP A 100 6.521 6.144 7.912 1.00 4.44 H new ATOM 1658 N THR A 101 2.838 7.496 7.368 1.00 35.12 N ATOM 1659 CA THR A 101 1.576 6.800 7.143 1.00 34.33 C ATOM 1660 C THR A 101 0.903 7.467 5.945 1.00 71.03 C ATOM 1661 O THR A 101 0.639 8.672 5.983 1.00 44.45 O ATOM 1662 CB THR A 101 0.646 6.902 8.400 1.00 61.11 C ATOM 1663 OG1 THR A 101 1.364 6.500 9.576 1.00 70.24 O ATOM 1664 CG2 THR A 101 -0.628 6.039 8.260 1.00 44.13 C ATOM 0 H THR A 101 2.718 8.484 7.590 1.00 35.12 H new ATOM 0 HA THR A 101 1.759 5.742 6.957 1.00 34.33 H new ATOM 0 HB THR A 101 0.336 7.943 8.485 1.00 61.11 H new ATOM 0 HG1 THR A 101 0.776 6.568 10.357 1.00 70.24 H new ATOM 0 HG21 THR A 101 -1.239 6.144 9.157 1.00 44.13 H new ATOM 0 HG22 THR A 101 -1.198 6.370 7.392 1.00 44.13 H new ATOM 0 HG23 THR A 101 -0.347 4.994 8.133 1.00 44.13 H new ATOM 1672 N VAL A 102 0.652 6.713 4.876 1.00 23.10 N ATOM 1673 CA VAL A 102 -0.023 7.248 3.696 1.00 30.31 C ATOM 1674 C VAL A 102 -1.508 6.858 3.749 1.00 71.04 C ATOM 1675 O VAL A 102 -1.864 5.674 3.761 1.00 55.11 O ATOM 1676 CB VAL A 102 0.666 6.795 2.359 1.00 54.11 C ATOM 1677 CG1 VAL A 102 0.759 5.269 2.223 1.00 75.32 C ATOM 1678 CG2 VAL A 102 -0.012 7.438 1.131 1.00 33.42 C ATOM 0 H VAL A 102 0.907 5.728 4.803 1.00 23.10 H new ATOM 0 HA VAL A 102 0.056 8.335 3.707 1.00 30.31 H new ATOM 0 HB VAL A 102 1.693 7.158 2.401 1.00 54.11 H new ATOM 0 HG11 VAL A 102 1.244 5.017 1.280 1.00 75.32 H new ATOM 0 HG12 VAL A 102 1.342 4.865 3.050 1.00 75.32 H new ATOM 0 HG13 VAL A 102 -0.243 4.840 2.242 1.00 75.32 H new ATOM 0 HG21 VAL A 102 0.489 7.104 0.222 1.00 33.42 H new ATOM 0 HG22 VAL A 102 -1.060 7.142 1.097 1.00 33.42 H new ATOM 0 HG23 VAL A 102 0.056 8.523 1.205 1.00 33.42 H new ATOM 1688 N THR A 103 -2.359 7.872 3.858 1.00 41.11 N ATOM 1689 CA THR A 103 -3.801 7.721 3.877 1.00 70.43 C ATOM 1690 C THR A 103 -4.314 7.914 2.446 1.00 3.14 C ATOM 1691 O THR A 103 -4.084 8.967 1.833 1.00 15.52 O ATOM 1692 CB THR A 103 -4.440 8.767 4.836 1.00 20.24 C ATOM 1693 OG1 THR A 103 -3.835 8.659 6.137 1.00 13.44 O ATOM 1694 CG2 THR A 103 -5.953 8.577 4.966 1.00 23.43 C ATOM 0 H THR A 103 -2.054 8.842 3.937 1.00 41.11 H new ATOM 0 HA THR A 103 -4.075 6.730 4.240 1.00 70.43 H new ATOM 0 HB THR A 103 -4.261 9.756 4.413 1.00 20.24 H new ATOM 0 HG1 THR A 103 -4.236 9.319 6.740 1.00 13.44 H new ATOM 0 HG21 THR A 103 -6.357 9.328 5.645 1.00 23.43 H new ATOM 0 HG22 THR A 103 -6.419 8.685 3.986 1.00 23.43 H new ATOM 0 HG23 THR A 103 -6.162 7.582 5.360 1.00 23.43 H new ATOM 1702 N VAL A 104 -4.941 6.869 1.901 1.00 24.53 N ATOM 1703 CA VAL A 104 -5.467 6.851 0.532 1.00 53.22 C ATOM 1704 C VAL A 104 -6.921 6.401 0.576 1.00 45.13 C ATOM 1705 O VAL A 104 -7.207 5.264 0.966 1.00 14.04 O ATOM 1706 CB VAL A 104 -4.639 5.886 -0.409 1.00 74.31 C ATOM 1707 CG1 VAL A 104 -5.170 5.909 -1.868 1.00 73.52 C ATOM 1708 CG2 VAL A 104 -3.135 6.226 -0.358 1.00 40.14 C ATOM 0 H VAL A 104 -5.101 5.997 2.406 1.00 24.53 H new ATOM 0 HA VAL A 104 -5.385 7.856 0.119 1.00 53.22 H new ATOM 0 HB VAL A 104 -4.770 4.871 -0.035 1.00 74.31 H new ATOM 0 HG11 VAL A 104 -4.575 5.233 -2.482 1.00 73.52 H new ATOM 0 HG12 VAL A 104 -6.212 5.589 -1.881 1.00 73.52 H new ATOM 0 HG13 VAL A 104 -5.096 6.921 -2.266 1.00 73.52 H new ATOM 0 HG21 VAL A 104 -2.587 5.549 -1.013 1.00 40.14 H new ATOM 0 HG22 VAL A 104 -2.983 7.253 -0.689 1.00 40.14 H new ATOM 0 HG23 VAL A 104 -2.772 6.116 0.664 1.00 40.14 H new ATOM 1718 N GLU A 105 -7.838 7.302 0.198 1.00 45.04 N ATOM 1719 CA GLU A 105 -9.237 6.938 0.016 1.00 1.11 C ATOM 1720 C GLU A 105 -9.402 6.386 -1.404 1.00 14.30 C ATOM 1721 O GLU A 105 -9.275 7.117 -2.395 1.00 64.55 O ATOM 1722 CB GLU A 105 -10.188 8.143 0.282 1.00 44.01 C ATOM 1723 CG GLU A 105 -10.451 8.457 1.778 1.00 73.14 C ATOM 1724 CD GLU A 105 -9.180 8.750 2.592 1.00 61.22 C ATOM 1725 OE1 GLU A 105 -8.579 9.831 2.400 1.00 55.53 O ATOM 1726 OE2 GLU A 105 -8.773 7.909 3.418 1.00 73.55 O ATOM 0 H GLU A 105 -7.630 8.284 0.014 1.00 45.04 H new ATOM 0 HA GLU A 105 -9.516 6.175 0.742 1.00 1.11 H new ATOM 0 HB2 GLU A 105 -9.766 9.030 -0.190 1.00 44.01 H new ATOM 0 HB3 GLU A 105 -11.143 7.946 -0.205 1.00 44.01 H new ATOM 0 HG2 GLU A 105 -11.119 9.316 1.846 1.00 73.14 H new ATOM 0 HG3 GLU A 105 -10.972 7.612 2.229 1.00 73.14 H new ATOM 1733 N GLY A 106 -9.663 5.076 -1.469 1.00 44.52 N ATOM 1734 CA GLY A 106 -9.866 4.374 -2.724 1.00 60.14 C ATOM 1735 C GLY A 106 -11.333 4.098 -2.921 1.00 64.25 C ATOM 1736 O GLY A 106 -12.067 3.907 -1.946 1.00 11.42 O ATOM 0 H GLY A 106 -9.738 4.478 -0.646 1.00 44.52 H new ATOM 0 HA2 GLY A 106 -9.484 4.972 -3.552 1.00 60.14 H new ATOM 0 HA3 GLY A 106 -9.307 3.438 -2.723 1.00 60.14 H new ATOM 1740 N GLN A 107 -11.781 4.084 -4.170 1.00 63.11 N ATOM 1741 CA GLN A 107 -13.206 3.964 -4.481 1.00 71.23 C ATOM 1742 C GLN A 107 -13.432 2.900 -5.548 1.00 13.01 C ATOM 1743 O GLN A 107 -12.612 2.722 -6.463 1.00 53.23 O ATOM 1744 CB GLN A 107 -13.780 5.339 -4.900 1.00 62.21 C ATOM 1745 CG GLN A 107 -13.067 6.033 -6.076 1.00 1.44 C ATOM 1746 CD GLN A 107 -13.676 7.400 -6.412 1.00 55.51 C ATOM 1747 OE1 GLN A 107 -13.254 8.427 -5.880 1.00 5.43 O ATOM 1748 NE2 GLN A 107 -14.689 7.414 -7.268 1.00 42.12 N ATOM 0 H GLN A 107 -11.178 4.154 -4.990 1.00 63.11 H new ATOM 0 HA GLN A 107 -13.742 3.643 -3.587 1.00 71.23 H new ATOM 0 HB2 GLN A 107 -14.830 5.209 -5.162 1.00 62.21 H new ATOM 0 HB3 GLN A 107 -13.747 6.004 -4.037 1.00 62.21 H new ATOM 0 HG2 GLN A 107 -12.012 6.159 -5.833 1.00 1.44 H new ATOM 0 HG3 GLN A 107 -13.117 5.391 -6.956 1.00 1.44 H new ATOM 0 HE21 GLN A 107 -15.012 6.543 -7.690 1.00 42.12 H new ATOM 0 HE22 GLN A 107 -15.145 8.295 -7.504 1.00 42.12 H new