USER MOD reduce.3.24.130724 H: found=0, std=0, add=791, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 793 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 63 GLN : amide:sc= 0.323 K(o=0.46,f=-0.082) USER MOD Set 1.2: A 67 ASN : amide:sc= 0.139 K(o=0.46,f=-2.2) USER MOD Set 2.1: A 37 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 38 GLN : amide:sc=-0.00932 X(o=-0.0093,f=-0.0093) USER MOD Set 3.1: A 24 HIS : no HE2:sc= 0.0294 X(o=0.06,f=-0.36) USER MOD Set 3.2: A 25 ASN : amide:sc= 0.0309 X(o=0.06,f=-0.28) USER MOD Set 4.1: A 16 SER OG : rot 67:sc= 1.59 USER MOD Set 4.2: A 59 ASN :FLIP amide:sc= 0.544 F(o=1.5,f=2.1) USER MOD Single : A 3 LYS NZ :NH3+ 173:sc= 0.248 (180deg=0.228) USER MOD Single : A 9 SER OG : rot -71:sc= -0.24 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.024 X(o=-0.024,f=-0.099) USER MOD Single : A 17 SER OG : rot 74:sc= 0.49 USER MOD Single : A 19 GLN : amide:sc= -0.187 X(o=-0.19,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 120:sc= -0.0737 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -33:sc= 0.529 USER MOD Single : A 36 SER OG : rot 180:sc= 0.0786 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 MET CE :methyl -153:sc= -0.0582 (180deg=-1.3) USER MOD Single : A 48 LYS NZ :NH3+ 153:sc= 1.05 (180deg=0.597) USER MOD Single : A 52 LYS NZ :NH3+ -130:sc= 1.59 (180deg=-0.279) USER MOD Single : A 62 SER OG : rot -17:sc= 0.326 USER MOD Single : A 64 ASN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 70 GLN : amide:sc= -0.597 X(o=-0.6,f=-0.71) USER MOD Single : A 71 ASN : amide:sc= -0.176 X(o=-0.18,f=-0.38) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 165:sc= -0.275 USER MOD Single : A 84 LYS NZ :NH3+ 151:sc= -0.0802 (180deg=-1.25) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 54:sc= 0.253 USER MOD Single : A 92 THR OG1 : rot 91:sc= 1.21 USER MOD Single : A 93 GLN : amide:sc= -0.448 X(o=-0.45,f=-0.55) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 THR OG1 : rot -79:sc= 0.629 USER MOD ----------------------------------------------------------------- ATOM 20 N GLY A 2 4.450 3.617 12.907 1.00 0.11 N ATOM 21 CA GLY A 2 4.715 3.275 11.506 1.00 14.30 C ATOM 22 C GLY A 2 3.877 4.119 10.559 1.00 3.23 C ATOM 23 O GLY A 2 3.177 5.032 11.008 1.00 24.14 O ATOM 0 HA2 GLY A 2 5.773 3.423 11.288 1.00 14.30 H new ATOM 0 HA3 GLY A 2 4.500 2.219 11.341 1.00 14.30 H new ATOM 27 N LYS A 3 3.995 3.878 9.249 1.00 73.34 N ATOM 28 CA LYS A 3 3.026 4.391 8.264 1.00 21.21 C ATOM 29 C LYS A 3 3.055 3.545 6.990 1.00 4.23 C ATOM 30 O LYS A 3 4.124 3.189 6.514 1.00 61.32 O ATOM 31 CB LYS A 3 3.237 5.899 7.946 1.00 41.52 C ATOM 32 CG LYS A 3 2.180 6.473 6.976 1.00 70.02 C ATOM 33 CD LYS A 3 2.232 8.006 6.830 1.00 34.24 C ATOM 34 CE LYS A 3 1.686 8.748 8.056 1.00 23.23 C ATOM 35 NZ LYS A 3 1.605 10.214 7.807 1.00 54.12 N ATOM 0 H LYS A 3 4.753 3.330 8.842 1.00 73.34 H new ATOM 0 HA LYS A 3 2.037 4.308 8.714 1.00 21.21 H new ATOM 0 HB2 LYS A 3 3.212 6.466 8.876 1.00 41.52 H new ATOM 0 HB3 LYS A 3 4.229 6.037 7.515 1.00 41.52 H new ATOM 0 HG2 LYS A 3 2.318 6.020 5.994 1.00 70.02 H new ATOM 0 HG3 LYS A 3 1.188 6.185 7.324 1.00 70.02 H new ATOM 0 HD2 LYS A 3 3.263 8.313 6.657 1.00 34.24 H new ATOM 0 HD3 LYS A 3 1.660 8.300 5.950 1.00 34.24 H new ATOM 0 HE2 LYS A 3 0.697 8.364 8.306 1.00 23.23 H new ATOM 0 HE3 LYS A 3 2.329 8.558 8.916 1.00 23.23 H new ATOM 0 HZ1 LYS A 3 1.124 10.676 8.605 1.00 54.12 H new ATOM 0 HZ2 LYS A 3 2.565 10.603 7.709 1.00 54.12 H new ATOM 0 HZ3 LYS A 3 1.070 10.389 6.932 1.00 54.12 H new ATOM 49 N VAL A 4 1.865 3.218 6.456 1.00 72.51 N ATOM 50 CA VAL A 4 1.714 2.516 5.167 1.00 15.43 C ATOM 51 C VAL A 4 1.234 3.504 4.086 1.00 22.45 C ATOM 52 O VAL A 4 0.475 4.422 4.385 1.00 64.45 O ATOM 53 CB VAL A 4 0.675 1.334 5.266 1.00 44.33 C ATOM 54 CG1 VAL A 4 0.629 0.524 3.950 1.00 51.35 C ATOM 55 CG2 VAL A 4 0.973 0.415 6.472 1.00 14.14 C ATOM 0 H VAL A 4 0.976 3.434 6.908 1.00 72.51 H new ATOM 0 HA VAL A 4 2.688 2.104 4.903 1.00 15.43 H new ATOM 0 HB VAL A 4 -0.309 1.776 5.426 1.00 44.33 H new ATOM 0 HG11 VAL A 4 -0.095 -0.285 4.046 1.00 51.35 H new ATOM 0 HG12 VAL A 4 0.335 1.179 3.130 1.00 51.35 H new ATOM 0 HG13 VAL A 4 1.615 0.106 3.745 1.00 51.35 H new ATOM 0 HG21 VAL A 4 0.237 -0.388 6.508 1.00 14.14 H new ATOM 0 HG22 VAL A 4 1.970 -0.012 6.367 1.00 14.14 H new ATOM 0 HG23 VAL A 4 0.922 0.996 7.393 1.00 14.14 H new ATOM 65 N LEU A 5 1.693 3.328 2.838 1.00 62.51 N ATOM 66 CA LEU A 5 1.116 4.005 1.672 1.00 33.12 C ATOM 67 C LEU A 5 0.208 3.004 0.945 1.00 74.45 C ATOM 68 O LEU A 5 0.692 2.038 0.343 1.00 0.03 O ATOM 69 CB LEU A 5 2.226 4.528 0.727 1.00 74.32 C ATOM 70 CG LEU A 5 1.731 5.362 -0.500 1.00 1.04 C ATOM 71 CD1 LEU A 5 0.995 6.643 -0.055 1.00 22.42 C ATOM 72 CD2 LEU A 5 2.894 5.685 -1.459 1.00 54.05 C ATOM 0 H LEU A 5 2.474 2.712 2.611 1.00 62.51 H new ATOM 0 HA LEU A 5 0.538 4.871 1.994 1.00 33.12 H new ATOM 0 HB2 LEU A 5 2.913 5.143 1.308 1.00 74.32 H new ATOM 0 HB3 LEU A 5 2.796 3.675 0.358 1.00 74.32 H new ATOM 0 HG LEU A 5 1.013 4.750 -1.045 1.00 1.04 H new ATOM 0 HD11 LEU A 5 0.665 7.197 -0.934 1.00 22.42 H new ATOM 0 HD12 LEU A 5 0.129 6.374 0.550 1.00 22.42 H new ATOM 0 HD13 LEU A 5 1.670 7.264 0.534 1.00 22.42 H new ATOM 0 HD21 LEU A 5 2.520 6.265 -2.302 1.00 54.05 H new ATOM 0 HD22 LEU A 5 3.653 6.262 -0.930 1.00 54.05 H new ATOM 0 HD23 LEU A 5 3.333 4.757 -1.824 1.00 54.05 H new ATOM 84 N LEU A 6 -1.107 3.215 1.033 1.00 43.43 N ATOM 85 CA LEU A 6 -2.106 2.322 0.442 1.00 45.43 C ATOM 86 C LEU A 6 -2.331 2.743 -1.023 1.00 74.44 C ATOM 87 O LEU A 6 -3.075 3.691 -1.296 1.00 32.31 O ATOM 88 CB LEU A 6 -3.417 2.389 1.284 1.00 24.13 C ATOM 89 CG LEU A 6 -4.572 1.415 0.882 1.00 62.03 C ATOM 90 CD1 LEU A 6 -4.146 -0.064 1.024 1.00 0.23 C ATOM 91 CD2 LEU A 6 -5.855 1.718 1.697 1.00 34.45 C ATOM 0 H LEU A 6 -1.511 4.015 1.519 1.00 43.43 H new ATOM 0 HA LEU A 6 -1.765 1.287 0.450 1.00 45.43 H new ATOM 0 HB2 LEU A 6 -3.160 2.197 2.326 1.00 24.13 H new ATOM 0 HB3 LEU A 6 -3.800 3.408 1.232 1.00 24.13 H new ATOM 0 HG LEU A 6 -4.797 1.582 -0.171 1.00 62.03 H new ATOM 0 HD11 LEU A 6 -4.975 -0.711 0.736 1.00 0.23 H new ATOM 0 HD12 LEU A 6 -3.291 -0.260 0.377 1.00 0.23 H new ATOM 0 HD13 LEU A 6 -3.872 -0.266 2.059 1.00 0.23 H new ATOM 0 HD21 LEU A 6 -6.645 1.028 1.401 1.00 34.45 H new ATOM 0 HD22 LEU A 6 -5.648 1.597 2.760 1.00 34.45 H new ATOM 0 HD23 LEU A 6 -6.175 2.742 1.504 1.00 34.45 H new ATOM 103 N VAL A 7 -1.646 2.055 -1.957 1.00 1.21 N ATOM 104 CA VAL A 7 -1.652 2.404 -3.389 1.00 53.02 C ATOM 105 C VAL A 7 -2.835 1.716 -4.084 1.00 4.13 C ATOM 106 O VAL A 7 -2.855 0.491 -4.268 1.00 22.35 O ATOM 107 CB VAL A 7 -0.298 2.003 -4.091 1.00 2.12 C ATOM 108 CG1 VAL A 7 -0.324 2.304 -5.611 1.00 1.23 C ATOM 109 CG2 VAL A 7 0.891 2.709 -3.412 1.00 61.42 C ATOM 0 H VAL A 7 -1.072 1.240 -1.738 1.00 1.21 H new ATOM 0 HA VAL A 7 -1.758 3.486 -3.474 1.00 53.02 H new ATOM 0 HB VAL A 7 -0.175 0.926 -3.978 1.00 2.12 H new ATOM 0 HG11 VAL A 7 0.628 2.013 -6.056 1.00 1.23 H new ATOM 0 HG12 VAL A 7 -1.131 1.741 -6.080 1.00 1.23 H new ATOM 0 HG13 VAL A 7 -0.487 3.370 -5.768 1.00 1.23 H new ATOM 0 HG21 VAL A 7 1.817 2.421 -3.909 1.00 61.42 H new ATOM 0 HG22 VAL A 7 0.762 3.789 -3.483 1.00 61.42 H new ATOM 0 HG23 VAL A 7 0.936 2.417 -2.363 1.00 61.42 H new ATOM 119 N ILE A 8 -3.830 2.539 -4.421 1.00 41.54 N ATOM 120 CA ILE A 8 -5.079 2.136 -5.065 1.00 63.22 C ATOM 121 C ILE A 8 -5.154 2.768 -6.469 1.00 64.54 C ATOM 122 O ILE A 8 -4.734 3.917 -6.672 1.00 63.14 O ATOM 123 CB ILE A 8 -6.314 2.624 -4.211 1.00 74.34 C ATOM 124 CG1 ILE A 8 -6.218 2.110 -2.742 1.00 33.31 C ATOM 125 CG2 ILE A 8 -7.665 2.217 -4.853 1.00 73.30 C ATOM 126 CD1 ILE A 8 -7.302 2.630 -1.814 1.00 23.13 C ATOM 0 H ILE A 8 -3.785 3.543 -4.245 1.00 41.54 H new ATOM 0 HA ILE A 8 -5.105 1.049 -5.142 1.00 63.22 H new ATOM 0 HB ILE A 8 -6.280 3.713 -4.195 1.00 74.34 H new ATOM 0 HG12 ILE A 8 -6.257 1.021 -2.750 1.00 33.31 H new ATOM 0 HG13 ILE A 8 -5.246 2.391 -2.336 1.00 33.31 H new ATOM 0 HG21 ILE A 8 -8.486 2.574 -4.231 1.00 73.30 H new ATOM 0 HG22 ILE A 8 -7.744 2.659 -5.846 1.00 73.30 H new ATOM 0 HG23 ILE A 8 -7.717 1.131 -4.934 1.00 73.30 H new ATOM 0 HD11 ILE A 8 -7.154 2.219 -0.815 1.00 23.13 H new ATOM 0 HD12 ILE A 8 -7.252 3.718 -1.770 1.00 23.13 H new ATOM 0 HD13 ILE A 8 -8.279 2.326 -2.190 1.00 23.13 H new ATOM 138 N SER A 9 -5.680 1.996 -7.418 1.00 51.33 N ATOM 139 CA SER A 9 -6.017 2.448 -8.772 1.00 44.13 C ATOM 140 C SER A 9 -7.211 1.621 -9.248 1.00 11.24 C ATOM 141 O SER A 9 -7.438 0.509 -8.747 1.00 64.35 O ATOM 142 CB SER A 9 -4.838 2.247 -9.756 1.00 11.31 C ATOM 143 OG SER A 9 -3.627 2.745 -9.242 1.00 15.32 O ATOM 0 H SER A 9 -5.891 1.010 -7.265 1.00 51.33 H new ATOM 0 HA SER A 9 -6.245 3.514 -8.746 1.00 44.13 H new ATOM 0 HB2 SER A 9 -4.728 1.185 -9.977 1.00 11.31 H new ATOM 0 HB3 SER A 9 -5.064 2.747 -10.698 1.00 11.31 H new ATOM 0 HG SER A 9 -3.656 3.724 -9.228 1.00 15.32 H new ATOM 149 N THR A 10 -7.969 2.167 -10.202 1.00 3.21 N ATOM 150 CA THR A 10 -9.018 1.429 -10.903 1.00 35.42 C ATOM 151 C THR A 10 -8.366 0.281 -11.706 1.00 51.01 C ATOM 152 O THR A 10 -8.749 -0.887 -11.581 1.00 15.25 O ATOM 153 CB THR A 10 -9.804 2.392 -11.858 1.00 11.22 C ATOM 154 OG1 THR A 10 -10.217 3.564 -11.130 1.00 42.50 O ATOM 155 CG2 THR A 10 -11.041 1.726 -12.493 1.00 43.14 C ATOM 0 H THR A 10 -7.871 3.135 -10.509 1.00 3.21 H new ATOM 0 HA THR A 10 -9.724 1.013 -10.185 1.00 35.42 H new ATOM 0 HB THR A 10 -9.126 2.660 -12.669 1.00 11.22 H new ATOM 0 HG1 THR A 10 -10.707 4.166 -11.729 1.00 42.50 H new ATOM 0 HG21 THR A 10 -11.545 2.440 -13.144 1.00 43.14 H new ATOM 0 HG22 THR A 10 -10.729 0.860 -13.077 1.00 43.14 H new ATOM 0 HG23 THR A 10 -11.725 1.406 -11.707 1.00 43.14 H new ATOM 163 N ASP A 11 -7.352 0.645 -12.508 1.00 45.14 N ATOM 164 CA ASP A 11 -6.549 -0.311 -13.276 1.00 14.04 C ATOM 165 C ASP A 11 -5.465 -0.955 -12.385 1.00 21.30 C ATOM 166 O ASP A 11 -4.427 -0.343 -12.106 1.00 32.35 O ATOM 167 CB ASP A 11 -5.887 0.403 -14.481 1.00 12.41 C ATOM 168 CG ASP A 11 -6.894 1.137 -15.377 1.00 73.54 C ATOM 169 OD1 ASP A 11 -7.460 0.506 -16.293 1.00 41.31 O ATOM 170 OD2 ASP A 11 -7.135 2.345 -15.154 1.00 34.33 O ATOM 0 H ASP A 11 -7.068 1.616 -12.640 1.00 45.14 H new ATOM 0 HA ASP A 11 -7.207 -1.099 -13.642 1.00 14.04 H new ATOM 0 HB2 ASP A 11 -5.151 1.117 -14.112 1.00 12.41 H new ATOM 0 HB3 ASP A 11 -5.347 -0.332 -15.078 1.00 12.41 H new ATOM 175 N THR A 12 -5.726 -2.199 -11.950 1.00 34.41 N ATOM 176 CA THR A 12 -4.768 -3.032 -11.194 1.00 50.14 C ATOM 177 C THR A 12 -3.497 -3.324 -12.039 1.00 54.32 C ATOM 178 O THR A 12 -2.435 -3.630 -11.496 1.00 75.44 O ATOM 179 CB THR A 12 -5.472 -4.356 -10.736 1.00 21.25 C ATOM 180 OG1 THR A 12 -6.675 -4.032 -10.007 1.00 24.15 O ATOM 181 CG2 THR A 12 -4.581 -5.239 -9.842 1.00 74.02 C ATOM 0 H THR A 12 -6.619 -2.663 -12.114 1.00 34.41 H new ATOM 0 HA THR A 12 -4.443 -2.488 -10.307 1.00 50.14 H new ATOM 0 HB THR A 12 -5.693 -4.922 -11.641 1.00 21.25 H new ATOM 0 HG1 THR A 12 -7.117 -4.859 -9.722 1.00 24.15 H new ATOM 0 HG21 THR A 12 -5.127 -6.139 -9.560 1.00 74.02 H new ATOM 0 HG22 THR A 12 -3.680 -5.518 -10.388 1.00 74.02 H new ATOM 0 HG23 THR A 12 -4.305 -4.686 -8.944 1.00 74.02 H new ATOM 189 N ASN A 13 -3.631 -3.175 -13.372 1.00 41.12 N ATOM 190 CA ASN A 13 -2.517 -3.274 -14.336 1.00 75.41 C ATOM 191 C ASN A 13 -1.454 -2.193 -14.060 1.00 61.32 C ATOM 192 O ASN A 13 -0.252 -2.453 -14.163 1.00 43.44 O ATOM 193 CB ASN A 13 -3.049 -3.142 -15.791 1.00 42.51 C ATOM 194 CG ASN A 13 -4.148 -4.159 -16.117 1.00 33.31 C ATOM 195 OD1 ASN A 13 -5.338 -3.876 -15.955 1.00 2.23 O ATOM 196 ND2 ASN A 13 -3.766 -5.357 -16.553 1.00 74.33 N ATOM 0 H ASN A 13 -4.529 -2.980 -13.815 1.00 41.12 H new ATOM 0 HA ASN A 13 -2.051 -4.252 -14.217 1.00 75.41 H new ATOM 0 HB2 ASN A 13 -3.437 -2.134 -15.941 1.00 42.51 H new ATOM 0 HB3 ASN A 13 -2.222 -3.272 -16.489 1.00 42.51 H new ATOM 0 HD21 ASN A 13 -4.465 -6.070 -16.763 1.00 74.33 H new ATOM 0 HD22 ASN A 13 -2.775 -5.562 -16.677 1.00 74.33 H new ATOM 203 N ILE A 14 -1.916 -0.986 -13.676 1.00 73.52 N ATOM 204 CA ILE A 14 -1.029 0.133 -13.313 1.00 4.24 C ATOM 205 C ILE A 14 -0.316 -0.186 -11.975 1.00 32.14 C ATOM 206 O ILE A 14 0.898 -0.020 -11.860 1.00 63.21 O ATOM 207 CB ILE A 14 -1.842 1.481 -13.209 1.00 51.45 C ATOM 208 CG1 ILE A 14 -2.550 1.824 -14.563 1.00 25.15 C ATOM 209 CG2 ILE A 14 -0.957 2.651 -12.749 1.00 72.14 C ATOM 210 CD1 ILE A 14 -1.631 2.058 -15.761 1.00 3.43 C ATOM 0 H ILE A 14 -2.909 -0.762 -13.610 1.00 73.52 H new ATOM 0 HA ILE A 14 -0.278 0.260 -14.093 1.00 4.24 H new ATOM 0 HB ILE A 14 -2.610 1.330 -12.450 1.00 51.45 H new ATOM 0 HG12 ILE A 14 -3.234 1.011 -14.808 1.00 25.15 H new ATOM 0 HG13 ILE A 14 -3.157 2.717 -14.416 1.00 25.15 H new ATOM 0 HG21 ILE A 14 -1.556 3.560 -12.691 1.00 72.14 H new ATOM 0 HG22 ILE A 14 -0.540 2.428 -11.767 1.00 72.14 H new ATOM 0 HG23 ILE A 14 -0.146 2.796 -13.463 1.00 72.14 H new ATOM 0 HD11 ILE A 14 -2.232 2.287 -16.641 1.00 3.43 H new ATOM 0 HD12 ILE A 14 -0.963 2.893 -15.550 1.00 3.43 H new ATOM 0 HD13 ILE A 14 -1.041 1.161 -15.948 1.00 3.43 H new ATOM 222 N ILE A 15 -1.105 -0.710 -11.013 1.00 2.32 N ATOM 223 CA ILE A 15 -0.631 -1.137 -9.672 1.00 72.43 C ATOM 224 C ILE A 15 0.493 -2.197 -9.782 1.00 73.13 C ATOM 225 O ILE A 15 1.501 -2.119 -9.071 1.00 32.10 O ATOM 226 CB ILE A 15 -1.846 -1.701 -8.827 1.00 35.22 C ATOM 227 CG1 ILE A 15 -2.882 -0.570 -8.538 1.00 21.34 C ATOM 228 CG2 ILE A 15 -1.401 -2.391 -7.516 1.00 71.44 C ATOM 229 CD1 ILE A 15 -4.122 -1.016 -7.780 1.00 74.14 C ATOM 0 H ILE A 15 -2.106 -0.852 -11.145 1.00 2.32 H new ATOM 0 HA ILE A 15 -0.215 -0.268 -9.163 1.00 72.43 H new ATOM 0 HB ILE A 15 -2.321 -2.472 -9.433 1.00 35.22 H new ATOM 0 HG12 ILE A 15 -2.389 0.217 -7.968 1.00 21.34 H new ATOM 0 HG13 ILE A 15 -3.192 -0.130 -9.486 1.00 21.34 H new ATOM 0 HG21 ILE A 15 -2.278 -2.756 -6.981 1.00 71.44 H new ATOM 0 HG22 ILE A 15 -0.744 -3.228 -7.750 1.00 71.44 H new ATOM 0 HG23 ILE A 15 -0.867 -1.675 -6.891 1.00 71.44 H new ATOM 0 HD11 ILE A 15 -4.782 -0.162 -7.627 1.00 74.14 H new ATOM 0 HD12 ILE A 15 -4.645 -1.780 -8.355 1.00 74.14 H new ATOM 0 HD13 ILE A 15 -3.830 -1.427 -6.814 1.00 74.14 H new ATOM 241 N SER A 16 0.311 -3.148 -10.717 1.00 22.11 N ATOM 242 CA SER A 16 1.245 -4.261 -10.947 1.00 35.21 C ATOM 243 C SER A 16 2.604 -3.748 -11.473 1.00 24.22 C ATOM 244 O SER A 16 3.662 -4.191 -11.016 1.00 52.13 O ATOM 245 CB SER A 16 0.622 -5.255 -11.951 1.00 35.33 C ATOM 246 OG SER A 16 -0.621 -5.768 -11.489 1.00 3.41 O ATOM 0 H SER A 16 -0.497 -3.164 -11.339 1.00 22.11 H new ATOM 0 HA SER A 16 1.425 -4.767 -9.998 1.00 35.21 H new ATOM 0 HB2 SER A 16 0.475 -4.758 -12.910 1.00 35.33 H new ATOM 0 HB3 SER A 16 1.314 -6.080 -12.122 1.00 35.33 H new ATOM 0 HG SER A 16 -1.282 -5.045 -11.459 1.00 3.41 H new ATOM 252 N SER A 17 2.541 -2.783 -12.414 1.00 2.15 N ATOM 253 CA SER A 17 3.735 -2.178 -13.032 1.00 33.54 C ATOM 254 C SER A 17 4.565 -1.397 -11.985 1.00 42.10 C ATOM 255 O SER A 17 5.781 -1.605 -11.844 1.00 45.13 O ATOM 256 CB SER A 17 3.305 -1.250 -14.189 1.00 14.44 C ATOM 257 OG SER A 17 2.534 -1.955 -15.152 1.00 73.42 O ATOM 0 H SER A 17 1.662 -2.403 -12.765 1.00 2.15 H new ATOM 0 HA SER A 17 4.366 -2.973 -13.428 1.00 33.54 H new ATOM 0 HB2 SER A 17 2.725 -0.416 -13.794 1.00 14.44 H new ATOM 0 HB3 SER A 17 4.188 -0.826 -14.666 1.00 14.44 H new ATOM 0 HG SER A 17 1.636 -2.119 -14.796 1.00 73.42 H new ATOM 263 N VAL A 18 3.868 -0.534 -11.230 1.00 50.51 N ATOM 264 CA VAL A 18 4.470 0.332 -10.198 1.00 63.43 C ATOM 265 C VAL A 18 5.087 -0.504 -9.058 1.00 50.30 C ATOM 266 O VAL A 18 6.120 -0.125 -8.493 1.00 52.21 O ATOM 267 CB VAL A 18 3.394 1.323 -9.630 1.00 53.24 C ATOM 268 CG1 VAL A 18 3.951 2.183 -8.476 1.00 61.32 C ATOM 269 CG2 VAL A 18 2.825 2.210 -10.760 1.00 53.44 C ATOM 0 H VAL A 18 2.859 -0.415 -11.318 1.00 50.51 H new ATOM 0 HA VAL A 18 5.272 0.907 -10.662 1.00 63.43 H new ATOM 0 HB VAL A 18 2.582 0.725 -9.216 1.00 53.24 H new ATOM 0 HG11 VAL A 18 3.172 2.854 -8.114 1.00 61.32 H new ATOM 0 HG12 VAL A 18 4.278 1.534 -7.663 1.00 61.32 H new ATOM 0 HG13 VAL A 18 4.797 2.769 -8.835 1.00 61.32 H new ATOM 0 HG21 VAL A 18 2.080 2.891 -10.348 1.00 53.44 H new ATOM 0 HG22 VAL A 18 3.633 2.786 -11.212 1.00 53.44 H new ATOM 0 HG23 VAL A 18 2.360 1.580 -11.518 1.00 53.44 H new ATOM 279 N GLN A 19 4.439 -1.641 -8.755 1.00 70.11 N ATOM 280 CA GLN A 19 4.913 -2.621 -7.763 1.00 54.43 C ATOM 281 C GLN A 19 6.332 -3.101 -8.117 1.00 62.24 C ATOM 282 O GLN A 19 7.244 -2.998 -7.304 1.00 23.02 O ATOM 283 CB GLN A 19 3.942 -3.831 -7.718 1.00 64.13 C ATOM 284 CG GLN A 19 4.333 -4.945 -6.727 1.00 71.12 C ATOM 285 CD GLN A 19 3.550 -6.251 -6.904 1.00 73.40 C ATOM 286 OE1 GLN A 19 4.066 -7.333 -6.617 1.00 53.21 O ATOM 287 NE2 GLN A 19 2.299 -6.176 -7.364 1.00 23.14 N ATOM 0 H GLN A 19 3.560 -1.909 -9.198 1.00 70.11 H new ATOM 0 HA GLN A 19 4.942 -2.144 -6.783 1.00 54.43 H new ATOM 0 HB2 GLN A 19 2.947 -3.469 -7.460 1.00 64.13 H new ATOM 0 HB3 GLN A 19 3.876 -4.261 -8.717 1.00 64.13 H new ATOM 0 HG2 GLN A 19 5.397 -5.155 -6.836 1.00 71.12 H new ATOM 0 HG3 GLN A 19 4.183 -4.580 -5.711 1.00 71.12 H new ATOM 0 HE21 GLN A 19 1.894 -5.269 -7.595 1.00 23.14 H new ATOM 0 HE22 GLN A 19 1.748 -7.026 -7.485 1.00 23.14 H new ATOM 296 N GLU A 20 6.485 -3.564 -9.372 1.00 23.04 N ATOM 297 CA GLU A 20 7.749 -4.126 -9.899 1.00 74.43 C ATOM 298 C GLU A 20 8.856 -3.051 -10.001 1.00 61.51 C ATOM 299 O GLU A 20 10.044 -3.359 -9.850 1.00 22.23 O ATOM 300 CB GLU A 20 7.477 -4.783 -11.281 1.00 63.03 C ATOM 301 CG GLU A 20 6.438 -5.931 -11.238 1.00 52.21 C ATOM 302 CD GLU A 20 6.074 -6.482 -12.627 1.00 0.23 C ATOM 303 OE1 GLU A 20 6.851 -7.292 -13.182 1.00 21.40 O ATOM 304 OE2 GLU A 20 5.010 -6.114 -13.174 1.00 71.42 O ATOM 0 H GLU A 20 5.729 -3.560 -10.057 1.00 23.04 H new ATOM 0 HA GLU A 20 8.112 -4.883 -9.204 1.00 74.43 H new ATOM 0 HB2 GLU A 20 7.129 -4.017 -11.974 1.00 63.03 H new ATOM 0 HB3 GLU A 20 8.415 -5.170 -11.679 1.00 63.03 H new ATOM 0 HG2 GLU A 20 6.830 -6.743 -10.625 1.00 52.21 H new ATOM 0 HG3 GLU A 20 5.532 -5.572 -10.749 1.00 52.21 H new ATOM 311 N ARG A 21 8.446 -1.786 -10.237 1.00 55.31 N ATOM 312 CA ARG A 21 9.368 -0.627 -10.261 1.00 45.14 C ATOM 313 C ARG A 21 9.915 -0.332 -8.851 1.00 64.42 C ATOM 314 O ARG A 21 11.116 -0.096 -8.667 1.00 43.51 O ATOM 315 CB ARG A 21 8.636 0.633 -10.790 1.00 61.35 C ATOM 316 CG ARG A 21 8.267 0.600 -12.286 1.00 34.23 C ATOM 317 CD ARG A 21 7.443 1.831 -12.693 1.00 42.24 C ATOM 318 NE ARG A 21 7.298 1.958 -14.149 1.00 3.42 N ATOM 319 CZ ARG A 21 6.793 3.031 -14.781 1.00 34.22 C ATOM 320 NH1 ARG A 21 6.361 4.092 -14.094 1.00 3.35 N ATOM 321 NH2 ARG A 21 6.746 3.053 -16.108 1.00 12.34 N ATOM 0 H ARG A 21 7.473 -1.539 -10.415 1.00 55.31 H new ATOM 0 HA ARG A 21 10.198 -0.876 -10.923 1.00 45.14 H new ATOM 0 HB2 ARG A 21 7.724 0.773 -10.210 1.00 61.35 H new ATOM 0 HB3 ARG A 21 9.267 1.503 -10.607 1.00 61.35 H new ATOM 0 HG2 ARG A 21 9.177 0.556 -12.885 1.00 34.23 H new ATOM 0 HG3 ARG A 21 7.700 -0.306 -12.501 1.00 34.23 H new ATOM 0 HD2 ARG A 21 6.455 1.769 -12.237 1.00 42.24 H new ATOM 0 HD3 ARG A 21 7.920 2.729 -12.299 1.00 42.24 H new ATOM 0 HE ARG A 21 7.604 1.173 -14.724 1.00 3.42 H new ATOM 0 HH11 ARG A 21 6.412 4.095 -13.075 1.00 3.35 H new ATOM 0 HH12 ARG A 21 5.980 4.899 -14.588 1.00 3.35 H new ATOM 0 HH21 ARG A 21 7.092 2.257 -16.644 1.00 12.34 H new ATOM 0 HH22 ARG A 21 6.363 3.866 -16.591 1.00 12.34 H new ATOM 335 N ALA A 22 9.004 -0.337 -7.873 1.00 44.25 N ATOM 336 CA ALA A 22 9.314 -0.044 -6.472 1.00 3.40 C ATOM 337 C ALA A 22 10.183 -1.155 -5.855 1.00 3.24 C ATOM 338 O ALA A 22 11.102 -0.869 -5.094 1.00 42.42 O ATOM 339 CB ALA A 22 8.007 0.146 -5.699 1.00 20.45 C ATOM 0 H ALA A 22 8.019 -0.547 -8.035 1.00 44.25 H new ATOM 0 HA ALA A 22 9.893 0.878 -6.413 1.00 3.40 H new ATOM 0 HB1 ALA A 22 8.230 0.365 -4.655 1.00 20.45 H new ATOM 0 HB2 ALA A 22 7.446 0.975 -6.131 1.00 20.45 H new ATOM 0 HB3 ALA A 22 7.413 -0.766 -5.760 1.00 20.45 H new ATOM 345 N LYS A 23 9.892 -2.419 -6.221 1.00 24.45 N ATOM 346 CA LYS A 23 10.663 -3.594 -5.759 1.00 13.44 C ATOM 347 C LYS A 23 12.044 -3.668 -6.422 1.00 70.20 C ATOM 348 O LYS A 23 12.932 -4.356 -5.912 1.00 11.24 O ATOM 349 CB LYS A 23 9.887 -4.916 -6.013 1.00 41.35 C ATOM 350 CG LYS A 23 8.569 -5.027 -5.222 1.00 61.23 C ATOM 351 CD LYS A 23 7.914 -6.426 -5.299 1.00 5.04 C ATOM 352 CE LYS A 23 8.768 -7.522 -4.633 1.00 32.54 C ATOM 353 NZ LYS A 23 8.013 -8.797 -4.478 1.00 22.25 N ATOM 0 H LYS A 23 9.119 -2.655 -6.843 1.00 24.45 H new ATOM 0 HA LYS A 23 10.805 -3.470 -4.685 1.00 13.44 H new ATOM 0 HB2 LYS A 23 9.669 -4.999 -7.078 1.00 41.35 H new ATOM 0 HB3 LYS A 23 10.528 -5.758 -5.752 1.00 41.35 H new ATOM 0 HG2 LYS A 23 8.761 -4.782 -4.177 1.00 61.23 H new ATOM 0 HG3 LYS A 23 7.865 -4.285 -5.599 1.00 61.23 H new ATOM 0 HD2 LYS A 23 6.936 -6.391 -4.819 1.00 5.04 H new ATOM 0 HD3 LYS A 23 7.747 -6.687 -6.344 1.00 5.04 H new ATOM 0 HE2 LYS A 23 9.662 -7.700 -5.231 1.00 32.54 H new ATOM 0 HE3 LYS A 23 9.103 -7.177 -3.655 1.00 32.54 H new ATOM 0 HZ1 LYS A 23 8.622 -9.509 -4.026 1.00 22.25 H new ATOM 0 HZ2 LYS A 23 7.174 -8.634 -3.886 1.00 22.25 H new ATOM 0 HZ3 LYS A 23 7.715 -9.140 -5.414 1.00 22.25 H new ATOM 367 N HIS A 24 12.211 -3.001 -7.578 1.00 64.42 N ATOM 368 CA HIS A 24 13.517 -2.880 -8.253 1.00 71.20 C ATOM 369 C HIS A 24 14.483 -1.995 -7.444 1.00 25.00 C ATOM 370 O HIS A 24 15.684 -2.281 -7.361 1.00 23.12 O ATOM 371 CB HIS A 24 13.331 -2.297 -9.671 1.00 62.11 C ATOM 372 CG HIS A 24 14.610 -2.130 -10.450 1.00 24.12 C ATOM 373 ND1 HIS A 24 15.179 -0.903 -10.716 1.00 41.50 N ATOM 374 CD2 HIS A 24 15.438 -3.049 -11.004 1.00 11.42 C ATOM 375 CE1 HIS A 24 16.285 -1.073 -11.405 1.00 4.11 C ATOM 376 NE2 HIS A 24 16.469 -2.364 -11.588 1.00 65.34 N ATOM 0 H HIS A 24 11.449 -2.533 -8.069 1.00 64.42 H new ATOM 0 HA HIS A 24 13.951 -3.877 -8.327 1.00 71.20 H new ATOM 0 HB2 HIS A 24 12.661 -2.948 -10.233 1.00 62.11 H new ATOM 0 HB3 HIS A 24 12.840 -1.327 -9.590 1.00 62.11 H new ATOM 0 HD1 HIS A 24 14.800 -0.002 -10.423 1.00 41.50 H new ATOM 0 HD2 HIS A 24 15.308 -4.121 -10.988 1.00 11.42 H new ATOM 0 HE1 HIS A 24 16.934 -0.286 -11.761 1.00 4.11 H new ATOM 385 N ASN A 25 13.941 -0.922 -6.858 1.00 5.12 N ATOM 386 CA ASN A 25 14.740 0.100 -6.151 1.00 55.41 C ATOM 387 C ASN A 25 14.870 -0.227 -4.653 1.00 1.03 C ATOM 388 O ASN A 25 15.898 0.057 -4.032 1.00 24.42 O ATOM 389 CB ASN A 25 14.092 1.499 -6.350 1.00 24.35 C ATOM 390 CG ASN A 25 13.958 1.905 -7.827 1.00 13.34 C ATOM 391 OD1 ASN A 25 14.754 1.503 -8.681 1.00 33.45 O ATOM 392 ND2 ASN A 25 12.949 2.709 -8.140 1.00 44.30 N ATOM 0 H ASN A 25 12.939 -0.732 -6.857 1.00 5.12 H new ATOM 0 HA ASN A 25 15.745 0.105 -6.573 1.00 55.41 H new ATOM 0 HB2 ASN A 25 13.104 1.503 -5.889 1.00 24.35 H new ATOM 0 HB3 ASN A 25 14.690 2.246 -5.828 1.00 24.35 H new ATOM 0 HD21 ASN A 25 12.817 3.009 -9.106 1.00 44.30 H new ATOM 0 HD22 ASN A 25 12.306 3.026 -7.415 1.00 44.30 H new ATOM 399 N TYR A 26 13.814 -0.823 -4.088 1.00 61.43 N ATOM 400 CA TYR A 26 13.712 -1.134 -2.652 1.00 70.20 C ATOM 401 C TYR A 26 13.793 -2.656 -2.436 1.00 70.24 C ATOM 402 O TYR A 26 13.298 -3.410 -3.274 1.00 0.24 O ATOM 403 CB TYR A 26 12.391 -0.540 -2.092 1.00 72.30 C ATOM 404 CG TYR A 26 12.369 0.994 -2.180 1.00 31.31 C ATOM 405 CD1 TYR A 26 13.065 1.760 -1.249 1.00 52.32 C ATOM 406 CD2 TYR A 26 11.695 1.672 -3.204 1.00 45.53 C ATOM 407 CE1 TYR A 26 13.096 3.132 -1.332 1.00 3.42 C ATOM 408 CE2 TYR A 26 11.721 3.050 -3.282 1.00 33.12 C ATOM 409 CZ TYR A 26 12.426 3.772 -2.340 1.00 25.44 C ATOM 410 OH TYR A 26 12.476 5.141 -2.416 1.00 23.35 O ATOM 0 H TYR A 26 12.992 -1.108 -4.621 1.00 61.43 H new ATOM 0 HA TYR A 26 14.544 -0.683 -2.111 1.00 70.20 H new ATOM 0 HB2 TYR A 26 11.546 -0.947 -2.647 1.00 72.30 H new ATOM 0 HB3 TYR A 26 12.267 -0.846 -1.053 1.00 72.30 H new ATOM 0 HD1 TYR A 26 13.591 1.267 -0.445 1.00 52.32 H new ATOM 0 HD2 TYR A 26 11.147 1.108 -3.944 1.00 45.53 H new ATOM 0 HE1 TYR A 26 13.649 3.705 -0.602 1.00 3.42 H new ATOM 0 HE2 TYR A 26 11.193 3.560 -4.075 1.00 33.12 H new ATOM 0 HH TYR A 26 12.870 5.407 -3.273 1.00 23.35 H new ATOM 420 N PRO A 27 14.390 -3.129 -1.289 1.00 63.12 N ATOM 421 CA PRO A 27 14.745 -4.570 -1.085 1.00 44.33 C ATOM 422 C PRO A 27 13.539 -5.543 -1.106 1.00 30.43 C ATOM 423 O PRO A 27 13.728 -6.759 -1.218 1.00 54.51 O ATOM 424 CB PRO A 27 15.443 -4.565 0.301 1.00 31.35 C ATOM 425 CG PRO A 27 14.930 -3.337 0.992 1.00 1.32 C ATOM 426 CD PRO A 27 14.778 -2.308 -0.102 1.00 21.10 C ATOM 0 HA PRO A 27 15.366 -4.940 -1.901 1.00 44.33 H new ATOM 0 HB2 PRO A 27 15.203 -5.465 0.867 1.00 31.35 H new ATOM 0 HB3 PRO A 27 16.528 -4.534 0.196 1.00 31.35 H new ATOM 0 HG2 PRO A 27 13.978 -3.531 1.486 1.00 1.32 H new ATOM 0 HG3 PRO A 27 15.625 -2.997 1.760 1.00 1.32 H new ATOM 0 HD2 PRO A 27 14.016 -1.569 0.143 1.00 21.10 H new ATOM 0 HD3 PRO A 27 15.706 -1.763 -0.275 1.00 21.10 H new ATOM 434 N GLY A 28 12.315 -5.000 -0.978 1.00 4.14 N ATOM 435 CA GLY A 28 11.080 -5.795 -1.044 1.00 65.41 C ATOM 436 C GLY A 28 10.265 -5.707 0.229 1.00 41.21 C ATOM 437 O GLY A 28 9.040 -5.784 0.176 1.00 74.20 O ATOM 0 H GLY A 28 12.157 -4.004 -0.827 1.00 4.14 H new ATOM 0 HA2 GLY A 28 10.475 -5.452 -1.883 1.00 65.41 H new ATOM 0 HA3 GLY A 28 11.333 -6.837 -1.239 1.00 65.41 H new ATOM 441 N ARG A 29 10.945 -5.508 1.380 1.00 24.15 N ATOM 442 CA ARG A 29 10.287 -5.437 2.712 1.00 44.24 C ATOM 443 C ARG A 29 9.439 -4.144 2.869 1.00 72.44 C ATOM 444 O ARG A 29 8.718 -3.986 3.847 1.00 14.14 O ATOM 445 CB ARG A 29 11.360 -5.531 3.849 1.00 31.20 C ATOM 446 CG ARG A 29 10.788 -5.734 5.280 1.00 23.32 C ATOM 447 CD ARG A 29 11.851 -5.748 6.395 1.00 1.03 C ATOM 448 NE ARG A 29 11.248 -6.065 7.711 1.00 0.20 N ATOM 449 CZ ARG A 29 11.757 -5.740 8.914 1.00 24.35 C ATOM 450 NH1 ARG A 29 12.897 -5.060 9.020 1.00 50.41 N ATOM 451 NH2 ARG A 29 11.108 -6.103 10.015 1.00 25.23 N ATOM 0 H ARG A 29 11.958 -5.392 1.417 1.00 24.15 H new ATOM 0 HA ARG A 29 9.606 -6.284 2.792 1.00 44.24 H new ATOM 0 HB2 ARG A 29 12.034 -6.357 3.623 1.00 31.20 H new ATOM 0 HB3 ARG A 29 11.958 -4.620 3.839 1.00 31.20 H new ATOM 0 HG2 ARG A 29 10.072 -4.939 5.488 1.00 23.32 H new ATOM 0 HG3 ARG A 29 10.238 -6.674 5.308 1.00 23.32 H new ATOM 0 HD2 ARG A 29 12.620 -6.484 6.158 1.00 1.03 H new ATOM 0 HD3 ARG A 29 12.343 -4.777 6.443 1.00 1.03 H new ATOM 0 HE ARG A 29 10.366 -6.577 7.705 1.00 0.20 H new ATOM 0 HH11 ARG A 29 13.401 -4.776 8.180 1.00 50.41 H new ATOM 0 HH12 ARG A 29 13.266 -4.823 9.941 1.00 50.41 H new ATOM 0 HH21 ARG A 29 10.233 -6.623 9.943 1.00 25.23 H new ATOM 0 HH22 ARG A 29 11.485 -5.862 10.932 1.00 25.23 H new ATOM 465 N TYR A 30 9.551 -3.213 1.910 1.00 31.11 N ATOM 466 CA TYR A 30 8.773 -1.957 1.899 1.00 50.45 C ATOM 467 C TYR A 30 7.525 -2.070 1.011 1.00 52.30 C ATOM 468 O TYR A 30 6.600 -1.278 1.143 1.00 1.15 O ATOM 469 CB TYR A 30 9.690 -0.791 1.446 1.00 71.31 C ATOM 470 CG TYR A 30 10.793 -0.474 2.464 1.00 33.42 C ATOM 471 CD1 TYR A 30 10.565 0.426 3.503 1.00 52.45 C ATOM 472 CD2 TYR A 30 12.040 -1.103 2.421 1.00 22.42 C ATOM 473 CE1 TYR A 30 11.527 0.696 4.448 1.00 62.12 C ATOM 474 CE2 TYR A 30 13.005 -0.832 3.367 1.00 5.43 C ATOM 475 CZ TYR A 30 12.748 0.067 4.378 1.00 23.13 C ATOM 476 OH TYR A 30 13.714 0.330 5.327 1.00 72.21 O ATOM 0 H TYR A 30 10.185 -3.307 1.116 1.00 31.11 H new ATOM 0 HA TYR A 30 8.416 -1.756 2.909 1.00 50.45 H new ATOM 0 HB2 TYR A 30 10.147 -1.044 0.489 1.00 71.31 H new ATOM 0 HB3 TYR A 30 9.084 0.100 1.284 1.00 71.31 H new ATOM 0 HD1 TYR A 30 9.609 0.924 3.568 1.00 52.45 H new ATOM 0 HD2 TYR A 30 12.251 -1.812 1.634 1.00 22.42 H new ATOM 0 HE1 TYR A 30 11.324 1.399 5.242 1.00 62.12 H new ATOM 0 HE2 TYR A 30 13.964 -1.325 3.315 1.00 5.43 H new ATOM 0 HH TYR A 30 14.516 -0.198 5.132 1.00 72.21 H new ATOM 486 N ILE A 31 7.513 -3.060 0.104 1.00 61.01 N ATOM 487 CA ILE A 31 6.382 -3.320 -0.806 1.00 34.22 C ATOM 488 C ILE A 31 5.693 -4.638 -0.401 1.00 33.35 C ATOM 489 O ILE A 31 6.361 -5.653 -0.196 1.00 25.53 O ATOM 490 CB ILE A 31 6.837 -3.406 -2.326 1.00 5.02 C ATOM 491 CG1 ILE A 31 7.323 -2.017 -2.883 1.00 22.51 C ATOM 492 CG2 ILE A 31 5.700 -3.979 -3.223 1.00 52.42 C ATOM 493 CD1 ILE A 31 8.662 -1.507 -2.355 1.00 31.31 C ATOM 0 H ILE A 31 8.291 -3.707 -0.021 1.00 61.01 H new ATOM 0 HA ILE A 31 5.689 -2.483 -0.718 1.00 34.22 H new ATOM 0 HB ILE A 31 7.686 -4.089 -2.358 1.00 5.02 H new ATOM 0 HG12 ILE A 31 7.388 -2.088 -3.969 1.00 22.51 H new ATOM 0 HG13 ILE A 31 6.560 -1.272 -2.657 1.00 22.51 H new ATOM 0 HG21 ILE A 31 6.041 -4.026 -4.257 1.00 52.42 H new ATOM 0 HG22 ILE A 31 5.437 -4.980 -2.882 1.00 52.42 H new ATOM 0 HG23 ILE A 31 4.825 -3.332 -3.159 1.00 52.42 H new ATOM 0 HD11 ILE A 31 8.890 -0.543 -2.811 1.00 31.31 H new ATOM 0 HD12 ILE A 31 8.606 -1.392 -1.272 1.00 31.31 H new ATOM 0 HD13 ILE A 31 9.447 -2.221 -2.604 1.00 31.31 H new ATOM 505 N ARG A 32 4.360 -4.608 -0.286 1.00 11.23 N ATOM 506 CA ARG A 32 3.531 -5.804 -0.087 1.00 74.42 C ATOM 507 C ARG A 32 2.166 -5.598 -0.775 1.00 51.54 C ATOM 508 O ARG A 32 1.740 -4.464 -0.950 1.00 44.52 O ATOM 509 CB ARG A 32 3.368 -6.099 1.432 1.00 42.04 C ATOM 510 CG ARG A 32 2.505 -7.334 1.737 1.00 34.12 C ATOM 511 CD ARG A 32 2.502 -7.738 3.214 1.00 52.32 C ATOM 512 NE ARG A 32 1.491 -8.775 3.454 1.00 43.30 N ATOM 513 CZ ARG A 32 1.453 -9.596 4.504 1.00 64.33 C ATOM 514 NH1 ARG A 32 2.385 -9.548 5.461 1.00 14.24 N ATOM 515 NH2 ARG A 32 0.447 -10.445 4.611 1.00 31.04 N ATOM 0 H ARG A 32 3.820 -3.744 -0.329 1.00 11.23 H new ATOM 0 HA ARG A 32 4.017 -6.670 -0.538 1.00 74.42 H new ATOM 0 HB2 ARG A 32 4.355 -6.240 1.873 1.00 42.04 H new ATOM 0 HB3 ARG A 32 2.924 -5.229 1.916 1.00 42.04 H new ATOM 0 HG2 ARG A 32 1.480 -7.136 1.422 1.00 34.12 H new ATOM 0 HG3 ARG A 32 2.865 -8.173 1.141 1.00 34.12 H new ATOM 0 HD2 ARG A 32 3.487 -8.107 3.500 1.00 52.32 H new ATOM 0 HD3 ARG A 32 2.295 -6.867 3.836 1.00 52.32 H new ATOM 0 HE ARG A 32 0.753 -8.876 2.757 1.00 43.30 H new ATOM 0 HH11 ARG A 32 3.147 -8.873 5.398 1.00 14.24 H new ATOM 0 HH12 ARG A 32 2.334 -10.187 6.255 1.00 14.24 H new ATOM 0 HH21 ARG A 32 -0.282 -10.464 3.898 1.00 31.04 H new ATOM 0 HH22 ARG A 32 0.399 -11.082 5.407 1.00 31.04 H new ATOM 529 N THR A 33 1.502 -6.691 -1.194 1.00 61.51 N ATOM 530 CA THR A 33 0.183 -6.632 -1.853 1.00 64.31 C ATOM 531 C THR A 33 -0.916 -7.200 -0.943 1.00 52.14 C ATOM 532 O THR A 33 -0.699 -8.200 -0.256 1.00 62.43 O ATOM 533 CB THR A 33 0.193 -7.427 -3.200 1.00 4.01 C ATOM 534 OG1 THR A 33 0.595 -8.789 -2.971 1.00 70.31 O ATOM 535 CG2 THR A 33 1.142 -6.789 -4.226 1.00 34.00 C ATOM 0 H THR A 33 1.864 -7.639 -1.086 1.00 61.51 H new ATOM 0 HA THR A 33 -0.028 -5.582 -2.056 1.00 64.31 H new ATOM 0 HB THR A 33 -0.820 -7.400 -3.601 1.00 4.01 H new ATOM 0 HG1 THR A 33 0.596 -9.277 -3.821 1.00 70.31 H new ATOM 0 HG21 THR A 33 1.123 -7.368 -5.149 1.00 34.00 H new ATOM 0 HG22 THR A 33 0.822 -5.768 -4.432 1.00 34.00 H new ATOM 0 HG23 THR A 33 2.156 -6.778 -3.826 1.00 34.00 H new ATOM 543 N ALA A 34 -2.091 -6.557 -0.965 1.00 33.53 N ATOM 544 CA ALA A 34 -3.315 -7.088 -0.356 1.00 0.42 C ATOM 545 C ALA A 34 -4.194 -7.679 -1.463 1.00 64.33 C ATOM 546 O ALA A 34 -4.462 -7.013 -2.474 1.00 30.42 O ATOM 547 CB ALA A 34 -4.056 -5.992 0.415 1.00 60.13 C ATOM 0 H ALA A 34 -2.218 -5.648 -1.409 1.00 33.53 H new ATOM 0 HA ALA A 34 -3.063 -7.870 0.361 1.00 0.42 H new ATOM 0 HB1 ALA A 34 -4.961 -6.407 0.859 1.00 60.13 H new ATOM 0 HB2 ALA A 34 -3.412 -5.602 1.203 1.00 60.13 H new ATOM 0 HB3 ALA A 34 -4.324 -5.185 -0.267 1.00 60.13 H new ATOM 553 N THR A 35 -4.589 -8.941 -1.282 1.00 11.33 N ATOM 554 CA THR A 35 -5.490 -9.663 -2.199 1.00 4.35 C ATOM 555 C THR A 35 -6.577 -10.403 -1.391 1.00 41.25 C ATOM 556 O THR A 35 -7.400 -11.137 -1.952 1.00 65.20 O ATOM 557 CB THR A 35 -4.683 -10.668 -3.093 1.00 33.11 C ATOM 558 OG1 THR A 35 -5.556 -11.350 -4.014 1.00 43.44 O ATOM 559 CG2 THR A 35 -3.922 -11.704 -2.244 1.00 53.10 C ATOM 0 H THR A 35 -4.291 -9.503 -0.485 1.00 11.33 H new ATOM 0 HA THR A 35 -5.972 -8.941 -2.858 1.00 4.35 H new ATOM 0 HB THR A 35 -3.955 -10.081 -3.653 1.00 33.11 H new ATOM 0 HG1 THR A 35 -6.433 -11.483 -3.597 1.00 43.44 H new ATOM 0 HG21 THR A 35 -3.376 -12.382 -2.900 1.00 53.10 H new ATOM 0 HG22 THR A 35 -3.220 -11.191 -1.587 1.00 53.10 H new ATOM 0 HG23 THR A 35 -4.631 -12.274 -1.643 1.00 53.10 H new ATOM 567 N SER A 36 -6.584 -10.162 -0.072 1.00 22.12 N ATOM 568 CA SER A 36 -7.462 -10.840 0.880 1.00 75.31 C ATOM 569 C SER A 36 -7.508 -10.027 2.174 1.00 40.12 C ATOM 570 O SER A 36 -6.502 -9.411 2.547 1.00 51.42 O ATOM 571 CB SER A 36 -6.946 -12.282 1.168 1.00 55.14 C ATOM 572 OG SER A 36 -7.753 -12.952 2.127 1.00 22.31 O ATOM 0 H SER A 36 -5.967 -9.478 0.366 1.00 22.12 H new ATOM 0 HA SER A 36 -8.464 -10.918 0.458 1.00 75.31 H new ATOM 0 HB2 SER A 36 -6.933 -12.855 0.241 1.00 55.14 H new ATOM 0 HB3 SER A 36 -5.918 -12.235 1.528 1.00 55.14 H new ATOM 0 HG SER A 36 -7.399 -13.853 2.280 1.00 22.31 H new ATOM 578 N SER A 37 -8.666 -10.035 2.849 1.00 72.32 N ATOM 579 CA SER A 37 -8.821 -9.434 4.184 1.00 24.41 C ATOM 580 C SER A 37 -7.961 -10.192 5.217 1.00 33.20 C ATOM 581 O SER A 37 -7.517 -9.617 6.215 1.00 43.23 O ATOM 582 CB SER A 37 -10.311 -9.444 4.586 1.00 3.33 C ATOM 583 OG SER A 37 -10.812 -10.772 4.659 1.00 52.44 O ATOM 0 H SER A 37 -9.521 -10.457 2.487 1.00 72.32 H new ATOM 0 HA SER A 37 -8.475 -8.401 4.158 1.00 24.41 H new ATOM 0 HB2 SER A 37 -10.434 -8.952 5.551 1.00 3.33 H new ATOM 0 HB3 SER A 37 -10.890 -8.873 3.861 1.00 3.33 H new ATOM 0 HG SER A 37 -11.757 -10.751 4.917 1.00 52.44 H new ATOM 589 N GLN A 38 -7.712 -11.488 4.931 1.00 32.13 N ATOM 590 CA GLN A 38 -6.863 -12.356 5.756 1.00 55.14 C ATOM 591 C GLN A 38 -5.378 -11.981 5.586 1.00 50.12 C ATOM 592 O GLN A 38 -4.616 -12.025 6.555 1.00 45.20 O ATOM 593 CB GLN A 38 -7.096 -13.840 5.383 1.00 72.14 C ATOM 594 CG GLN A 38 -8.566 -14.302 5.465 1.00 13.51 C ATOM 595 CD GLN A 38 -9.186 -14.128 6.849 1.00 14.21 C ATOM 596 OE1 GLN A 38 -9.107 -15.013 7.702 1.00 73.20 O ATOM 597 NE2 GLN A 38 -9.820 -12.986 7.078 1.00 34.43 N ATOM 0 H GLN A 38 -8.100 -11.959 4.114 1.00 32.13 H new ATOM 0 HA GLN A 38 -7.132 -12.214 6.803 1.00 55.14 H new ATOM 0 HB2 GLN A 38 -6.733 -14.007 4.369 1.00 72.14 H new ATOM 0 HB3 GLN A 38 -6.495 -14.465 6.044 1.00 72.14 H new ATOM 0 HG2 GLN A 38 -9.155 -13.741 4.739 1.00 13.51 H new ATOM 0 HG3 GLN A 38 -8.624 -15.352 5.180 1.00 13.51 H new ATOM 0 HE21 GLN A 38 -9.867 -12.274 6.349 1.00 34.43 H new ATOM 0 HE22 GLN A 38 -10.261 -12.820 7.983 1.00 34.43 H new ATOM 606 N ASP A 39 -4.972 -11.608 4.345 1.00 53.45 N ATOM 607 CA ASP A 39 -3.610 -11.095 4.066 1.00 50.31 C ATOM 608 C ASP A 39 -3.384 -9.775 4.822 1.00 63.04 C ATOM 609 O ASP A 39 -2.338 -9.578 5.441 1.00 12.00 O ATOM 610 CB ASP A 39 -3.390 -10.859 2.539 1.00 41.42 C ATOM 611 CG ASP A 39 -1.902 -10.646 2.188 1.00 65.30 C ATOM 612 OD1 ASP A 39 -1.417 -9.495 2.224 1.00 20.00 O ATOM 613 OD2 ASP A 39 -1.202 -11.642 1.906 1.00 65.14 O ATOM 0 H ASP A 39 -5.572 -11.654 3.521 1.00 53.45 H new ATOM 0 HA ASP A 39 -2.896 -11.846 4.404 1.00 50.31 H new ATOM 0 HB2 ASP A 39 -3.774 -11.714 1.982 1.00 41.42 H new ATOM 0 HB3 ASP A 39 -3.964 -9.989 2.222 1.00 41.42 H new ATOM 618 N ILE A 40 -4.415 -8.903 4.756 1.00 75.54 N ATOM 619 CA ILE A 40 -4.457 -7.594 5.437 1.00 15.02 C ATOM 620 C ILE A 40 -4.249 -7.750 6.952 1.00 74.25 C ATOM 621 O ILE A 40 -3.447 -7.010 7.535 1.00 53.00 O ATOM 622 CB ILE A 40 -5.808 -6.846 5.107 1.00 44.41 C ATOM 623 CG1 ILE A 40 -5.820 -6.421 3.602 1.00 42.44 C ATOM 624 CG2 ILE A 40 -6.062 -5.638 6.039 1.00 32.12 C ATOM 625 CD1 ILE A 40 -7.091 -5.749 3.122 1.00 23.42 C ATOM 0 H ILE A 40 -5.258 -9.096 4.215 1.00 75.54 H new ATOM 0 HA ILE A 40 -3.636 -6.983 5.063 1.00 15.02 H new ATOM 0 HB ILE A 40 -6.628 -7.541 5.288 1.00 44.41 H new ATOM 0 HG12 ILE A 40 -4.984 -5.744 3.427 1.00 42.44 H new ATOM 0 HG13 ILE A 40 -5.646 -7.307 2.991 1.00 42.44 H new ATOM 0 HG21 ILE A 40 -7.004 -5.161 5.768 1.00 32.12 H new ATOM 0 HG22 ILE A 40 -6.113 -5.980 7.073 1.00 32.12 H new ATOM 0 HG23 ILE A 40 -5.248 -4.920 5.934 1.00 32.12 H new ATOM 0 HD11 ILE A 40 -6.993 -5.496 2.066 1.00 23.42 H new ATOM 0 HD12 ILE A 40 -7.934 -6.427 3.256 1.00 23.42 H new ATOM 0 HD13 ILE A 40 -7.262 -4.840 3.698 1.00 23.42 H new ATOM 637 N ARG A 41 -4.926 -8.761 7.554 1.00 10.04 N ATOM 638 CA ARG A 41 -4.722 -9.144 8.973 1.00 62.10 C ATOM 639 C ARG A 41 -3.224 -9.260 9.300 1.00 2.33 C ATOM 640 O ARG A 41 -2.734 -8.628 10.232 1.00 3.25 O ATOM 641 CB ARG A 41 -5.431 -10.493 9.303 1.00 71.24 C ATOM 642 CG ARG A 41 -6.976 -10.441 9.379 1.00 72.42 C ATOM 643 CD ARG A 41 -7.501 -9.818 10.689 1.00 34.11 C ATOM 644 NE ARG A 41 -7.067 -8.424 10.875 1.00 5.32 N ATOM 645 CZ ARG A 41 -6.502 -7.919 11.981 1.00 52.22 C ATOM 646 NH1 ARG A 41 -6.281 -8.674 13.052 1.00 71.41 N ATOM 647 NH2 ARG A 41 -6.146 -6.641 12.004 1.00 55.40 N ATOM 0 H ARG A 41 -5.623 -9.329 7.073 1.00 10.04 H new ATOM 0 HA ARG A 41 -5.162 -8.358 9.586 1.00 62.10 H new ATOM 0 HB2 ARG A 41 -5.148 -11.225 8.547 1.00 71.24 H new ATOM 0 HB3 ARG A 41 -5.051 -10.857 10.257 1.00 71.24 H new ATOM 0 HG2 ARG A 41 -7.355 -9.867 8.534 1.00 72.42 H new ATOM 0 HG3 ARG A 41 -7.372 -11.452 9.281 1.00 72.42 H new ATOM 0 HD2 ARG A 41 -8.590 -9.858 10.693 1.00 34.11 H new ATOM 0 HD3 ARG A 41 -7.157 -10.416 11.533 1.00 34.11 H new ATOM 0 HE ARG A 41 -7.209 -7.785 10.093 1.00 5.32 H new ATOM 0 HH11 ARG A 41 -6.543 -9.660 13.044 1.00 71.41 H new ATOM 0 HH12 ARG A 41 -5.850 -8.268 13.882 1.00 71.41 H new ATOM 0 HH21 ARG A 41 -6.303 -6.053 11.185 1.00 55.40 H new ATOM 0 HH22 ARG A 41 -5.715 -6.247 12.840 1.00 55.40 H new ATOM 661 N ASP A 42 -2.511 -9.997 8.438 1.00 55.15 N ATOM 662 CA ASP A 42 -1.077 -10.266 8.588 1.00 14.24 C ATOM 663 C ASP A 42 -0.222 -9.004 8.297 1.00 62.41 C ATOM 664 O ASP A 42 0.863 -8.862 8.870 1.00 20.23 O ATOM 665 CB ASP A 42 -0.684 -11.448 7.660 1.00 3.55 C ATOM 666 CG ASP A 42 0.755 -11.956 7.866 1.00 2.12 C ATOM 667 OD1 ASP A 42 1.066 -12.448 8.974 1.00 22.50 O ATOM 668 OD2 ASP A 42 1.572 -11.899 6.922 1.00 41.22 O ATOM 0 H ASP A 42 -2.919 -10.427 7.608 1.00 55.15 H new ATOM 0 HA ASP A 42 -0.874 -10.541 9.623 1.00 14.24 H new ATOM 0 HB2 ASP A 42 -1.377 -12.273 7.827 1.00 3.55 H new ATOM 0 HB3 ASP A 42 -0.803 -11.137 6.622 1.00 3.55 H new ATOM 673 N ILE A 43 -0.722 -8.085 7.418 1.00 44.33 N ATOM 674 CA ILE A 43 -0.025 -6.811 7.095 1.00 33.43 C ATOM 675 C ILE A 43 0.040 -5.909 8.339 1.00 44.44 C ATOM 676 O ILE A 43 1.120 -5.524 8.795 1.00 25.25 O ATOM 677 CB ILE A 43 -0.733 -5.998 5.923 1.00 11.30 C ATOM 678 CG1 ILE A 43 -0.824 -6.845 4.614 1.00 31.23 C ATOM 679 CG2 ILE A 43 -0.014 -4.651 5.665 1.00 60.03 C ATOM 680 CD1 ILE A 43 -1.417 -6.137 3.404 1.00 14.52 C ATOM 0 H ILE A 43 -1.605 -8.207 6.923 1.00 44.33 H new ATOM 0 HA ILE A 43 0.975 -7.087 6.762 1.00 33.43 H new ATOM 0 HB ILE A 43 -1.751 -5.779 6.245 1.00 11.30 H new ATOM 0 HG12 ILE A 43 0.178 -7.187 4.355 1.00 31.23 H new ATOM 0 HG13 ILE A 43 -1.421 -7.733 4.820 1.00 31.23 H new ATOM 0 HG21 ILE A 43 -0.519 -4.117 4.860 1.00 60.03 H new ATOM 0 HG22 ILE A 43 -0.038 -4.046 6.572 1.00 60.03 H new ATOM 0 HG23 ILE A 43 1.021 -4.840 5.382 1.00 60.03 H new ATOM 0 HD11 ILE A 43 -1.431 -6.819 2.554 1.00 14.52 H new ATOM 0 HD12 ILE A 43 -2.435 -5.819 3.631 1.00 14.52 H new ATOM 0 HD13 ILE A 43 -0.811 -5.265 3.159 1.00 14.52 H new ATOM 692 N ILE A 44 -1.150 -5.629 8.883 1.00 11.02 N ATOM 693 CA ILE A 44 -1.356 -4.663 9.965 1.00 54.15 C ATOM 694 C ILE A 44 -0.826 -5.210 11.302 1.00 73.21 C ATOM 695 O ILE A 44 -0.323 -4.437 12.125 1.00 72.14 O ATOM 696 CB ILE A 44 -2.879 -4.266 10.042 1.00 3.22 C ATOM 697 CG1 ILE A 44 -3.325 -3.648 8.672 1.00 12.44 C ATOM 698 CG2 ILE A 44 -3.164 -3.291 11.209 1.00 31.11 C ATOM 699 CD1 ILE A 44 -4.787 -3.263 8.583 1.00 72.12 C ATOM 0 H ILE A 44 -2.013 -6.077 8.576 1.00 11.02 H new ATOM 0 HA ILE A 44 -0.785 -3.759 9.753 1.00 54.15 H new ATOM 0 HB ILE A 44 -3.460 -5.167 10.239 1.00 3.22 H new ATOM 0 HG12 ILE A 44 -2.720 -2.762 8.477 1.00 12.44 H new ATOM 0 HG13 ILE A 44 -3.106 -4.364 7.880 1.00 12.44 H new ATOM 0 HG21 ILE A 44 -4.225 -3.043 11.225 1.00 31.11 H new ATOM 0 HG22 ILE A 44 -2.887 -3.762 12.152 1.00 31.11 H new ATOM 0 HG23 ILE A 44 -2.581 -2.380 11.073 1.00 31.11 H new ATOM 0 HD11 ILE A 44 -4.994 -2.846 7.598 1.00 72.12 H new ATOM 0 HD12 ILE A 44 -5.406 -4.146 8.741 1.00 72.12 H new ATOM 0 HD13 ILE A 44 -5.015 -2.519 9.347 1.00 72.12 H new ATOM 711 N LYS A 45 -0.890 -6.552 11.490 1.00 43.23 N ATOM 712 CA LYS A 45 -0.248 -7.211 12.646 1.00 30.40 C ATOM 713 C LYS A 45 1.271 -6.984 12.610 1.00 12.43 C ATOM 714 O LYS A 45 1.863 -6.572 13.614 1.00 21.25 O ATOM 715 CB LYS A 45 -0.558 -8.731 12.719 1.00 1.34 C ATOM 716 CG LYS A 45 -1.975 -9.073 13.233 1.00 42.33 C ATOM 717 CD LYS A 45 -2.176 -10.595 13.447 1.00 4.23 C ATOM 718 CE LYS A 45 -1.277 -11.177 14.558 1.00 44.43 C ATOM 719 NZ LYS A 45 -1.405 -12.659 14.668 1.00 50.13 N ATOM 0 H LYS A 45 -1.376 -7.190 10.860 1.00 43.23 H new ATOM 0 HA LYS A 45 -0.667 -6.756 13.543 1.00 30.40 H new ATOM 0 HB2 LYS A 45 -0.432 -9.163 11.726 1.00 1.34 H new ATOM 0 HB3 LYS A 45 0.175 -9.208 13.369 1.00 1.34 H new ATOM 0 HG2 LYS A 45 -2.153 -8.550 14.173 1.00 42.33 H new ATOM 0 HG3 LYS A 45 -2.715 -8.709 12.520 1.00 42.33 H new ATOM 0 HD2 LYS A 45 -3.220 -10.785 13.696 1.00 4.23 H new ATOM 0 HD3 LYS A 45 -1.971 -11.117 12.512 1.00 4.23 H new ATOM 0 HE2 LYS A 45 -0.238 -10.918 14.355 1.00 44.43 H new ATOM 0 HE3 LYS A 45 -1.539 -10.720 15.512 1.00 44.43 H new ATOM 0 HZ1 LYS A 45 -0.784 -13.006 15.426 1.00 50.13 H new ATOM 0 HZ2 LYS A 45 -2.391 -12.907 14.888 1.00 50.13 H new ATOM 0 HZ3 LYS A 45 -1.130 -13.099 13.767 1.00 50.13 H new ATOM 733 N SER A 46 1.861 -7.172 11.414 1.00 10.44 N ATOM 734 CA SER A 46 3.310 -7.073 11.204 1.00 33.50 C ATOM 735 C SER A 46 3.785 -5.626 11.359 1.00 24.24 C ATOM 736 O SER A 46 4.854 -5.387 11.902 1.00 63.34 O ATOM 737 CB SER A 46 3.666 -7.619 9.799 1.00 42.04 C ATOM 738 OG SER A 46 5.053 -7.540 9.521 1.00 15.43 O ATOM 0 H SER A 46 1.340 -7.397 10.566 1.00 10.44 H new ATOM 0 HA SER A 46 3.820 -7.671 11.959 1.00 33.50 H new ATOM 0 HB2 SER A 46 3.342 -8.657 9.724 1.00 42.04 H new ATOM 0 HB3 SER A 46 3.115 -7.058 9.044 1.00 42.04 H new ATOM 0 HG SER A 46 5.228 -7.897 8.625 1.00 15.43 H new ATOM 744 N MET A 47 2.965 -4.666 10.893 1.00 63.03 N ATOM 745 CA MET A 47 3.290 -3.219 10.935 1.00 64.03 C ATOM 746 C MET A 47 3.480 -2.679 12.365 1.00 32.24 C ATOM 747 O MET A 47 4.112 -1.631 12.554 1.00 1.10 O ATOM 748 CB MET A 47 2.198 -2.403 10.195 1.00 11.50 C ATOM 749 CG MET A 47 2.345 -2.416 8.672 1.00 20.04 C ATOM 750 SD MET A 47 3.952 -1.766 8.139 1.00 4.01 S ATOM 751 CE MET A 47 3.921 -0.083 8.781 1.00 52.21 C ATOM 0 H MET A 47 2.056 -4.867 10.475 1.00 63.03 H new ATOM 0 HA MET A 47 4.248 -3.101 10.428 1.00 64.03 H new ATOM 0 HB2 MET A 47 1.218 -2.801 10.460 1.00 11.50 H new ATOM 0 HB3 MET A 47 2.229 -1.371 10.545 1.00 11.50 H new ATOM 0 HG2 MET A 47 2.227 -3.436 8.305 1.00 20.04 H new ATOM 0 HG3 MET A 47 1.548 -1.822 8.226 1.00 20.04 H new ATOM 0 HE1 MET A 47 4.557 0.553 8.165 1.00 52.21 H new ATOM 0 HE2 MET A 47 2.899 0.296 8.760 1.00 52.21 H new ATOM 0 HE3 MET A 47 4.289 -0.078 9.807 1.00 52.21 H new ATOM 761 N LYS A 48 2.940 -3.399 13.355 1.00 55.41 N ATOM 762 CA LYS A 48 3.091 -3.043 14.773 1.00 20.31 C ATOM 763 C LYS A 48 4.435 -3.587 15.303 1.00 2.44 C ATOM 764 O LYS A 48 5.052 -2.989 16.182 1.00 32.03 O ATOM 765 CB LYS A 48 1.901 -3.616 15.579 1.00 3.15 C ATOM 766 CG LYS A 48 0.519 -3.258 15.000 1.00 43.14 C ATOM 767 CD LYS A 48 -0.658 -3.823 15.829 1.00 1.12 C ATOM 768 CE LYS A 48 -0.613 -5.349 15.959 1.00 22.54 C ATOM 769 NZ LYS A 48 -1.743 -5.880 16.768 1.00 3.33 N ATOM 0 H LYS A 48 2.388 -4.242 13.198 1.00 55.41 H new ATOM 0 HA LYS A 48 3.092 -1.959 14.886 1.00 20.31 H new ATOM 0 HB2 LYS A 48 1.995 -4.701 15.623 1.00 3.15 H new ATOM 0 HB3 LYS A 48 1.960 -3.249 16.604 1.00 3.15 H new ATOM 0 HG2 LYS A 48 0.427 -2.173 14.944 1.00 43.14 H new ATOM 0 HG3 LYS A 48 0.451 -3.637 13.980 1.00 43.14 H new ATOM 0 HD2 LYS A 48 -0.643 -3.377 16.824 1.00 1.12 H new ATOM 0 HD3 LYS A 48 -1.599 -3.530 15.363 1.00 1.12 H new ATOM 0 HE2 LYS A 48 -0.638 -5.797 14.966 1.00 22.54 H new ATOM 0 HE3 LYS A 48 0.330 -5.645 16.418 1.00 22.54 H new ATOM 0 HZ1 LYS A 48 -1.953 -6.855 16.473 1.00 3.33 H new ATOM 0 HZ2 LYS A 48 -1.483 -5.871 17.775 1.00 3.33 H new ATOM 0 HZ3 LYS A 48 -2.584 -5.286 16.622 1.00 3.33 H new ATOM 816 N LYS A 52 8.513 0.656 10.886 1.00 43.40 N ATOM 817 CA LYS A 52 9.144 1.307 9.708 1.00 23.34 C ATOM 818 C LYS A 52 8.093 1.476 8.566 1.00 41.14 C ATOM 819 O LYS A 52 7.069 0.782 8.591 1.00 4.34 O ATOM 820 CB LYS A 52 10.431 0.502 9.262 1.00 3.31 C ATOM 821 CG LYS A 52 10.341 -1.052 9.242 1.00 5.40 C ATOM 822 CD LYS A 52 9.396 -1.646 8.162 1.00 31.32 C ATOM 823 CE LYS A 52 9.902 -1.465 6.727 1.00 32.44 C ATOM 824 NZ LYS A 52 8.894 -1.926 5.724 1.00 53.34 N ATOM 0 HA LYS A 52 9.484 2.309 9.972 1.00 23.34 H new ATOM 0 HB2 LYS A 52 10.705 0.835 8.261 1.00 3.31 H new ATOM 0 HB3 LYS A 52 11.249 0.782 9.926 1.00 3.31 H new ATOM 0 HG2 LYS A 52 11.342 -1.456 9.088 1.00 5.40 H new ATOM 0 HG3 LYS A 52 10.007 -1.393 10.222 1.00 5.40 H new ATOM 0 HD2 LYS A 52 9.260 -2.710 8.357 1.00 31.32 H new ATOM 0 HD3 LYS A 52 8.416 -1.177 8.253 1.00 31.32 H new ATOM 0 HE2 LYS A 52 10.135 -0.414 6.553 1.00 32.44 H new ATOM 0 HE3 LYS A 52 10.829 -2.023 6.595 1.00 32.44 H new ATOM 0 HZ1 LYS A 52 9.350 -2.565 5.042 1.00 53.34 H new ATOM 0 HZ2 LYS A 52 8.126 -2.430 6.211 1.00 53.34 H new ATOM 0 HZ3 LYS A 52 8.504 -1.104 5.221 1.00 53.34 H new ATOM 838 N PRO A 53 8.314 2.382 7.547 1.00 42.24 N ATOM 839 CA PRO A 53 7.304 2.647 6.480 1.00 12.03 C ATOM 840 C PRO A 53 7.054 1.428 5.556 1.00 71.24 C ATOM 841 O PRO A 53 7.978 0.677 5.231 1.00 33.33 O ATOM 842 CB PRO A 53 7.917 3.832 5.688 1.00 11.30 C ATOM 843 CG PRO A 53 9.392 3.715 5.915 1.00 24.13 C ATOM 844 CD PRO A 53 9.539 3.222 7.340 1.00 42.22 C ATOM 0 HA PRO A 53 6.323 2.863 6.902 1.00 12.03 H new ATOM 0 HB2 PRO A 53 7.673 3.769 4.628 1.00 11.30 H new ATOM 0 HB3 PRO A 53 7.535 4.788 6.046 1.00 11.30 H new ATOM 0 HG2 PRO A 53 9.845 3.019 5.209 1.00 24.13 H new ATOM 0 HG3 PRO A 53 9.889 4.676 5.778 1.00 24.13 H new ATOM 0 HD2 PRO A 53 10.452 2.641 7.472 1.00 42.22 H new ATOM 0 HD3 PRO A 53 9.583 4.049 8.049 1.00 42.22 H new ATOM 852 N LEU A 54 5.791 1.235 5.154 1.00 4.41 N ATOM 853 CA LEU A 54 5.385 0.172 4.221 1.00 3.35 C ATOM 854 C LEU A 54 4.597 0.796 3.059 1.00 42.40 C ATOM 855 O LEU A 54 4.228 1.962 3.121 1.00 34.33 O ATOM 856 CB LEU A 54 4.519 -0.894 4.965 1.00 44.31 C ATOM 857 CG LEU A 54 4.472 -2.300 4.295 1.00 43.51 C ATOM 858 CD1 LEU A 54 5.871 -2.931 4.282 1.00 32.11 C ATOM 859 CD2 LEU A 54 3.441 -3.229 4.969 1.00 73.43 C ATOM 0 H LEU A 54 5.014 1.817 5.469 1.00 4.41 H new ATOM 0 HA LEU A 54 6.270 -0.327 3.825 1.00 3.35 H new ATOM 0 HB2 LEU A 54 4.902 -1.006 5.979 1.00 44.31 H new ATOM 0 HB3 LEU A 54 3.500 -0.516 5.049 1.00 44.31 H new ATOM 0 HG LEU A 54 4.144 -2.167 3.264 1.00 43.51 H new ATOM 0 HD11 LEU A 54 5.823 -3.913 3.811 1.00 32.11 H new ATOM 0 HD12 LEU A 54 6.553 -2.292 3.721 1.00 32.11 H new ATOM 0 HD13 LEU A 54 6.232 -3.037 5.305 1.00 32.11 H new ATOM 0 HD21 LEU A 54 3.443 -4.198 4.469 1.00 73.43 H new ATOM 0 HD22 LEU A 54 3.702 -3.362 6.019 1.00 73.43 H new ATOM 0 HD23 LEU A 54 2.448 -2.785 4.896 1.00 73.43 H new ATOM 871 N VAL A 55 4.325 0.004 2.014 1.00 11.51 N ATOM 872 CA VAL A 55 3.563 0.423 0.830 1.00 33.34 C ATOM 873 C VAL A 55 2.728 -0.787 0.380 1.00 2.41 C ATOM 874 O VAL A 55 3.282 -1.755 -0.157 1.00 74.24 O ATOM 875 CB VAL A 55 4.476 0.909 -0.375 1.00 70.01 C ATOM 876 CG1 VAL A 55 3.614 1.380 -1.560 1.00 23.33 C ATOM 877 CG2 VAL A 55 5.464 2.020 0.049 1.00 2.53 C ATOM 0 H VAL A 55 4.635 -0.967 1.967 1.00 11.51 H new ATOM 0 HA VAL A 55 2.947 1.280 1.105 1.00 33.34 H new ATOM 0 HB VAL A 55 5.069 0.050 -0.690 1.00 70.01 H new ATOM 0 HG11 VAL A 55 4.261 1.708 -2.373 1.00 23.33 H new ATOM 0 HG12 VAL A 55 2.988 0.557 -1.904 1.00 23.33 H new ATOM 0 HG13 VAL A 55 2.981 2.209 -1.243 1.00 23.33 H new ATOM 0 HG21 VAL A 55 6.066 2.319 -0.809 1.00 2.53 H new ATOM 0 HG22 VAL A 55 4.907 2.881 0.419 1.00 2.53 H new ATOM 0 HG23 VAL A 55 6.117 1.645 0.837 1.00 2.53 H new ATOM 887 N VAL A 56 1.413 -0.759 0.650 1.00 55.04 N ATOM 888 CA VAL A 56 0.505 -1.857 0.289 1.00 25.20 C ATOM 889 C VAL A 56 -0.225 -1.546 -1.025 1.00 4.12 C ATOM 890 O VAL A 56 -1.076 -0.654 -1.085 1.00 65.45 O ATOM 891 CB VAL A 56 -0.516 -2.196 1.444 1.00 34.43 C ATOM 892 CG1 VAL A 56 -1.609 -3.198 0.985 1.00 50.44 C ATOM 893 CG2 VAL A 56 0.239 -2.751 2.670 1.00 34.32 C ATOM 0 H VAL A 56 0.953 0.020 1.121 1.00 55.04 H new ATOM 0 HA VAL A 56 1.116 -2.747 0.142 1.00 25.20 H new ATOM 0 HB VAL A 56 -1.022 -1.270 1.717 1.00 34.43 H new ATOM 0 HG11 VAL A 56 -2.288 -3.401 1.813 1.00 50.44 H new ATOM 0 HG12 VAL A 56 -2.169 -2.770 0.153 1.00 50.44 H new ATOM 0 HG13 VAL A 56 -1.139 -4.128 0.665 1.00 50.44 H new ATOM 0 HG21 VAL A 56 -0.473 -2.982 3.462 1.00 34.32 H new ATOM 0 HG22 VAL A 56 0.775 -3.657 2.388 1.00 34.32 H new ATOM 0 HG23 VAL A 56 0.950 -2.006 3.027 1.00 34.32 H new ATOM 903 N PHE A 57 0.140 -2.297 -2.067 1.00 51.35 N ATOM 904 CA PHE A 57 -0.503 -2.260 -3.376 1.00 0.24 C ATOM 905 C PHE A 57 -1.768 -3.134 -3.340 1.00 61.43 C ATOM 906 O PHE A 57 -1.694 -4.324 -3.009 1.00 63.32 O ATOM 907 CB PHE A 57 0.491 -2.784 -4.448 1.00 53.35 C ATOM 908 CG PHE A 57 1.661 -1.841 -4.733 1.00 2.43 C ATOM 909 CD1 PHE A 57 2.813 -1.846 -3.945 1.00 24.31 C ATOM 910 CD2 PHE A 57 1.597 -0.931 -5.788 1.00 44.23 C ATOM 911 CE1 PHE A 57 3.858 -0.976 -4.209 1.00 3.33 C ATOM 912 CE2 PHE A 57 2.637 -0.065 -6.043 1.00 30.43 C ATOM 913 CZ PHE A 57 3.769 -0.086 -5.256 1.00 31.40 C ATOM 0 H PHE A 57 0.911 -2.963 -2.019 1.00 51.35 H new ATOM 0 HA PHE A 57 -0.786 -1.238 -3.629 1.00 0.24 H new ATOM 0 HB2 PHE A 57 0.886 -3.746 -4.122 1.00 53.35 H new ATOM 0 HB3 PHE A 57 -0.053 -2.961 -5.376 1.00 53.35 H new ATOM 0 HD1 PHE A 57 2.891 -2.537 -3.119 1.00 24.31 H new ATOM 0 HD2 PHE A 57 0.718 -0.905 -6.415 1.00 44.23 H new ATOM 0 HE1 PHE A 57 4.744 -0.996 -3.592 1.00 3.33 H new ATOM 0 HE2 PHE A 57 2.566 0.634 -6.863 1.00 30.43 H new ATOM 0 HZ PHE A 57 4.583 0.593 -5.460 1.00 31.40 H new ATOM 923 N VAL A 58 -2.926 -2.544 -3.657 1.00 32.12 N ATOM 924 CA VAL A 58 -4.202 -3.274 -3.707 1.00 4.04 C ATOM 925 C VAL A 58 -4.260 -4.057 -5.034 1.00 41.34 C ATOM 926 O VAL A 58 -4.776 -3.573 -6.045 1.00 4.35 O ATOM 927 CB VAL A 58 -5.423 -2.279 -3.554 1.00 34.44 C ATOM 928 CG1 VAL A 58 -6.788 -3.005 -3.644 1.00 65.21 C ATOM 929 CG2 VAL A 58 -5.309 -1.473 -2.236 1.00 41.35 C ATOM 0 H VAL A 58 -3.007 -1.553 -3.885 1.00 32.12 H new ATOM 0 HA VAL A 58 -4.268 -3.976 -2.876 1.00 4.04 H new ATOM 0 HB VAL A 58 -5.379 -1.584 -4.392 1.00 34.44 H new ATOM 0 HG11 VAL A 58 -7.594 -2.280 -3.533 1.00 65.21 H new ATOM 0 HG12 VAL A 58 -6.874 -3.499 -4.612 1.00 65.21 H new ATOM 0 HG13 VAL A 58 -6.858 -3.749 -2.850 1.00 65.21 H new ATOM 0 HG21 VAL A 58 -6.158 -0.795 -2.150 1.00 41.35 H new ATOM 0 HG22 VAL A 58 -5.305 -2.159 -1.389 1.00 41.35 H new ATOM 0 HG23 VAL A 58 -4.384 -0.897 -2.241 1.00 41.35 H new ATOM 939 N ASN A 59 -3.648 -5.255 -5.040 1.00 53.11 N ATOM 940 CA ASN A 59 -3.508 -6.087 -6.249 1.00 51.13 C ATOM 941 C ASN A 59 -4.315 -7.384 -6.074 1.00 24.22 C ATOM 942 O ASN A 59 -3.946 -8.240 -5.260 1.00 13.23 O ATOM 943 CB ASN A 59 -1.998 -6.387 -6.492 1.00 30.13 C ATOM 944 CG ASN A 59 -1.691 -6.915 -7.896 1.00 74.45 C ATOM 945 OD1 ASN A 59 -1.765 -8.224 -8.086 1.00 13.32 O flip ATOM 946 ND2 ASN A 59 -1.398 -6.142 -8.807 1.00 71.22 N flip ATOM 0 H ASN A 59 -3.236 -5.674 -4.206 1.00 53.11 H new ATOM 0 HA ASN A 59 -3.898 -5.559 -7.119 1.00 51.13 H new ATOM 0 HB2 ASN A 59 -1.424 -5.476 -6.323 1.00 30.13 H new ATOM 0 HB3 ASN A 59 -1.659 -7.117 -5.757 1.00 30.13 H new ATOM 0 HD21 ASN A 59 -1.349 -5.139 -8.629 1.00 71.22 H new ATOM 0 HD22 ASN A 59 -1.204 -6.504 -9.741 1.00 71.22 H new ATOM 953 N GLY A 60 -5.423 -7.506 -6.832 1.00 55.44 N ATOM 954 CA GLY A 60 -6.326 -8.659 -6.747 1.00 70.24 C ATOM 955 C GLY A 60 -7.287 -8.575 -5.566 1.00 60.11 C ATOM 956 O GLY A 60 -7.759 -9.605 -5.071 1.00 35.31 O ATOM 0 H GLY A 60 -5.712 -6.807 -7.517 1.00 55.44 H new ATOM 0 HA2 GLY A 60 -6.900 -8.734 -7.671 1.00 70.24 H new ATOM 0 HA3 GLY A 60 -5.735 -9.571 -6.664 1.00 70.24 H new ATOM 960 N ALA A 61 -7.590 -7.343 -5.131 1.00 3.32 N ATOM 961 CA ALA A 61 -8.478 -7.083 -3.983 1.00 71.22 C ATOM 962 C ALA A 61 -9.618 -6.132 -4.388 1.00 13.15 C ATOM 963 O ALA A 61 -9.766 -5.800 -5.571 1.00 43.13 O ATOM 964 CB ALA A 61 -7.667 -6.530 -2.802 1.00 43.14 C ATOM 0 H ALA A 61 -7.226 -6.495 -5.565 1.00 3.32 H new ATOM 0 HA ALA A 61 -8.933 -8.021 -3.664 1.00 71.22 H new ATOM 0 HB1 ALA A 61 -8.333 -6.342 -1.960 1.00 43.14 H new ATOM 0 HB2 ALA A 61 -6.909 -7.256 -2.510 1.00 43.14 H new ATOM 0 HB3 ALA A 61 -7.183 -5.599 -3.097 1.00 43.14 H new ATOM 970 N SER A 62 -10.407 -5.689 -3.401 1.00 44.14 N ATOM 971 CA SER A 62 -11.650 -4.939 -3.628 1.00 53.03 C ATOM 972 C SER A 62 -11.839 -3.876 -2.533 1.00 1.42 C ATOM 973 O SER A 62 -11.193 -3.937 -1.484 1.00 74.54 O ATOM 974 CB SER A 62 -12.845 -5.920 -3.657 1.00 13.14 C ATOM 975 OG SER A 62 -12.942 -6.656 -2.444 1.00 15.34 O ATOM 0 H SER A 62 -10.199 -5.842 -2.414 1.00 44.14 H new ATOM 0 HA SER A 62 -11.594 -4.426 -4.588 1.00 53.03 H new ATOM 0 HB2 SER A 62 -13.769 -5.366 -3.823 1.00 13.14 H new ATOM 0 HB3 SER A 62 -12.732 -6.609 -4.494 1.00 13.14 H new ATOM 0 HG SER A 62 -12.094 -6.595 -1.956 1.00 15.34 H new ATOM 981 N GLN A 63 -12.765 -2.926 -2.777 1.00 22.13 N ATOM 982 CA GLN A 63 -13.015 -1.774 -1.883 1.00 71.24 C ATOM 983 C GLN A 63 -13.475 -2.224 -0.471 1.00 60.12 C ATOM 984 O GLN A 63 -13.188 -1.544 0.507 1.00 63.55 O ATOM 985 CB GLN A 63 -14.056 -0.817 -2.539 1.00 22.45 C ATOM 986 CG GLN A 63 -14.321 0.513 -1.788 1.00 23.42 C ATOM 987 CD GLN A 63 -13.095 1.425 -1.676 1.00 3.43 C ATOM 988 OE1 GLN A 63 -12.841 2.274 -2.530 1.00 71.44 O ATOM 989 NE2 GLN A 63 -12.326 1.258 -0.625 1.00 11.12 N ATOM 0 H GLN A 63 -13.363 -2.935 -3.603 1.00 22.13 H new ATOM 0 HA GLN A 63 -12.076 -1.237 -1.747 1.00 71.24 H new ATOM 0 HB2 GLN A 63 -13.718 -0.581 -3.548 1.00 22.45 H new ATOM 0 HB3 GLN A 63 -15.001 -1.351 -2.636 1.00 22.45 H new ATOM 0 HG2 GLN A 63 -15.117 1.054 -2.300 1.00 23.42 H new ATOM 0 HG3 GLN A 63 -14.684 0.285 -0.786 1.00 23.42 H new ATOM 0 HE21 GLN A 63 -12.558 0.547 0.069 1.00 11.12 H new ATOM 0 HE22 GLN A 63 -11.497 1.839 -0.502 1.00 11.12 H new ATOM 998 N ASN A 64 -14.163 -3.383 -0.379 1.00 70.13 N ATOM 999 CA ASN A 64 -14.653 -3.937 0.914 1.00 21.22 C ATOM 1000 C ASN A 64 -13.494 -4.243 1.888 1.00 34.55 C ATOM 1001 O ASN A 64 -13.568 -3.891 3.074 1.00 3.14 O ATOM 1002 CB ASN A 64 -15.511 -5.215 0.686 1.00 43.44 C ATOM 1003 CG ASN A 64 -16.899 -4.944 0.085 1.00 2.23 C ATOM 1004 OD1 ASN A 64 -17.111 -3.971 -0.637 1.00 23.02 O ATOM 1005 ND2 ASN A 64 -17.855 -5.808 0.381 1.00 4.24 N ATOM 0 H ASN A 64 -14.395 -3.960 -1.187 1.00 70.13 H new ATOM 0 HA ASN A 64 -15.279 -3.169 1.369 1.00 21.22 H new ATOM 0 HB2 ASN A 64 -14.967 -5.891 0.026 1.00 43.44 H new ATOM 0 HB3 ASN A 64 -15.634 -5.731 1.638 1.00 43.44 H new ATOM 0 HD21 ASN A 64 -18.795 -5.676 0.008 1.00 4.24 H new ATOM 0 HD22 ASN A 64 -17.652 -6.607 0.982 1.00 4.24 H new ATOM 1012 N ASP A 65 -12.413 -4.859 1.366 1.00 63.13 N ATOM 1013 CA ASP A 65 -11.242 -5.225 2.197 1.00 62.21 C ATOM 1014 C ASP A 65 -10.329 -4.008 2.386 1.00 44.14 C ATOM 1015 O ASP A 65 -9.658 -3.902 3.409 1.00 35.34 O ATOM 1016 CB ASP A 65 -10.460 -6.446 1.635 1.00 5.24 C ATOM 1017 CG ASP A 65 -9.918 -6.267 0.217 1.00 63.54 C ATOM 1018 OD1 ASP A 65 -8.921 -5.538 0.029 1.00 43.34 O ATOM 1019 OD2 ASP A 65 -10.482 -6.879 -0.716 1.00 63.13 O ATOM 0 H ASP A 65 -12.324 -5.113 0.382 1.00 63.13 H new ATOM 0 HA ASP A 65 -11.618 -5.537 3.171 1.00 62.21 H new ATOM 0 HB2 ASP A 65 -9.626 -6.663 2.302 1.00 5.24 H new ATOM 0 HB3 ASP A 65 -11.115 -7.317 1.650 1.00 5.24 H new ATOM 1024 N VAL A 66 -10.335 -3.083 1.396 1.00 14.02 N ATOM 1025 CA VAL A 66 -9.630 -1.786 1.495 1.00 1.22 C ATOM 1026 C VAL A 66 -10.160 -0.990 2.698 1.00 51.10 C ATOM 1027 O VAL A 66 -9.377 -0.423 3.465 1.00 73.35 O ATOM 1028 CB VAL A 66 -9.781 -0.936 0.174 1.00 42.20 C ATOM 1029 CG1 VAL A 66 -9.352 0.540 0.372 1.00 73.35 C ATOM 1030 CG2 VAL A 66 -8.995 -1.585 -0.986 1.00 51.52 C ATOM 0 H VAL A 66 -10.826 -3.216 0.512 1.00 14.02 H new ATOM 0 HA VAL A 66 -8.569 -1.994 1.635 1.00 1.22 H new ATOM 0 HB VAL A 66 -10.840 -0.928 -0.083 1.00 42.20 H new ATOM 0 HG11 VAL A 66 -9.474 1.083 -0.565 1.00 73.35 H new ATOM 0 HG12 VAL A 66 -9.973 0.999 1.141 1.00 73.35 H new ATOM 0 HG13 VAL A 66 -8.307 0.577 0.679 1.00 73.35 H new ATOM 0 HG21 VAL A 66 -9.113 -0.983 -1.887 1.00 51.52 H new ATOM 0 HG22 VAL A 66 -7.939 -1.642 -0.723 1.00 51.52 H new ATOM 0 HG23 VAL A 66 -9.378 -2.589 -1.168 1.00 51.52 H new ATOM 1040 N ASN A 67 -11.498 -0.974 2.849 1.00 44.22 N ATOM 1041 CA ASN A 67 -12.167 -0.340 3.995 1.00 71.44 C ATOM 1042 C ASN A 67 -11.692 -0.973 5.303 1.00 35.23 C ATOM 1043 O ASN A 67 -11.347 -0.260 6.238 1.00 2.20 O ATOM 1044 CB ASN A 67 -13.714 -0.434 3.877 1.00 2.14 C ATOM 1045 CG ASN A 67 -14.295 0.480 2.795 1.00 30.03 C ATOM 1046 OD1 ASN A 67 -13.650 0.792 1.804 1.00 73.23 O ATOM 1047 ND2 ASN A 67 -15.510 0.940 2.992 1.00 13.11 N ATOM 0 H ASN A 67 -12.141 -1.399 2.181 1.00 44.22 H new ATOM 0 HA ASN A 67 -11.899 0.717 3.995 1.00 71.44 H new ATOM 0 HB2 ASN A 67 -13.993 -1.465 3.660 1.00 2.14 H new ATOM 0 HB3 ASN A 67 -14.161 -0.178 4.838 1.00 2.14 H new ATOM 0 HD21 ASN A 67 -15.933 1.571 2.311 1.00 13.11 H new ATOM 0 HD22 ASN A 67 -16.030 0.666 3.826 1.00 13.11 H new ATOM 1054 N GLU A 68 -11.632 -2.319 5.326 1.00 45.01 N ATOM 1055 CA GLU A 68 -11.193 -3.079 6.508 1.00 23.33 C ATOM 1056 C GLU A 68 -9.705 -2.851 6.822 1.00 2.25 C ATOM 1057 O GLU A 68 -9.316 -2.925 7.980 1.00 71.32 O ATOM 1058 CB GLU A 68 -11.495 -4.587 6.339 1.00 71.24 C ATOM 1059 CG GLU A 68 -12.995 -4.912 6.174 1.00 20.23 C ATOM 1060 CD GLU A 68 -13.872 -4.309 7.290 1.00 13.12 C ATOM 1061 OE1 GLU A 68 -13.870 -4.851 8.416 1.00 73.15 O ATOM 1062 OE2 GLU A 68 -14.555 -3.283 7.050 1.00 71.34 O ATOM 0 H GLU A 68 -11.885 -2.905 4.530 1.00 45.01 H new ATOM 0 HA GLU A 68 -11.763 -2.706 7.359 1.00 23.33 H new ATOM 0 HB2 GLU A 68 -10.955 -4.960 5.469 1.00 71.24 H new ATOM 0 HB3 GLU A 68 -11.111 -5.124 7.207 1.00 71.24 H new ATOM 0 HG2 GLU A 68 -13.337 -4.538 5.209 1.00 20.23 H new ATOM 0 HG3 GLU A 68 -13.127 -5.994 6.161 1.00 20.23 H new ATOM 1069 N PHE A 69 -8.892 -2.559 5.789 1.00 71.34 N ATOM 1070 CA PHE A 69 -7.482 -2.176 5.975 1.00 4.14 C ATOM 1071 C PHE A 69 -7.416 -0.863 6.768 1.00 72.12 C ATOM 1072 O PHE A 69 -6.736 -0.780 7.783 1.00 51.44 O ATOM 1073 CB PHE A 69 -6.745 -2.021 4.608 1.00 72.33 C ATOM 1074 CG PHE A 69 -5.272 -1.595 4.731 1.00 61.04 C ATOM 1075 CD1 PHE A 69 -4.259 -2.544 4.873 1.00 2.13 C ATOM 1076 CD2 PHE A 69 -4.905 -0.241 4.726 1.00 2.53 C ATOM 1077 CE1 PHE A 69 -2.939 -2.157 5.004 1.00 14.11 C ATOM 1078 CE2 PHE A 69 -3.586 0.141 4.856 1.00 2.22 C ATOM 1079 CZ PHE A 69 -2.604 -0.815 4.996 1.00 51.54 C ATOM 0 H PHE A 69 -9.190 -2.582 4.814 1.00 71.34 H new ATOM 0 HA PHE A 69 -6.978 -2.968 6.529 1.00 4.14 H new ATOM 0 HB2 PHE A 69 -6.794 -2.969 4.072 1.00 72.33 H new ATOM 0 HB3 PHE A 69 -7.275 -1.285 4.003 1.00 72.33 H new ATOM 0 HD1 PHE A 69 -4.510 -3.594 4.881 1.00 2.13 H new ATOM 0 HD2 PHE A 69 -5.668 0.515 4.619 1.00 2.53 H new ATOM 0 HE1 PHE A 69 -2.167 -2.904 5.113 1.00 14.11 H new ATOM 0 HE2 PHE A 69 -3.323 1.189 4.848 1.00 2.22 H new ATOM 0 HZ PHE A 69 -1.571 -0.516 5.100 1.00 51.54 H new ATOM 1089 N GLN A 70 -8.145 0.146 6.266 1.00 63.24 N ATOM 1090 CA GLN A 70 -8.228 1.483 6.879 1.00 74.03 C ATOM 1091 C GLN A 70 -8.747 1.420 8.340 1.00 3.14 C ATOM 1092 O GLN A 70 -8.202 2.083 9.226 1.00 11.22 O ATOM 1093 CB GLN A 70 -9.142 2.386 6.010 1.00 5.31 C ATOM 1094 CG GLN A 70 -8.705 2.507 4.527 1.00 43.24 C ATOM 1095 CD GLN A 70 -9.708 3.253 3.635 1.00 14.21 C ATOM 1096 OE1 GLN A 70 -10.906 3.284 3.913 1.00 33.33 O ATOM 1097 NE2 GLN A 70 -9.237 3.807 2.524 1.00 4.51 N ATOM 0 H GLN A 70 -8.699 0.057 5.414 1.00 63.24 H new ATOM 0 HA GLN A 70 -7.224 1.906 6.919 1.00 74.03 H new ATOM 0 HB2 GLN A 70 -10.158 1.993 6.045 1.00 5.31 H new ATOM 0 HB3 GLN A 70 -9.170 3.383 6.450 1.00 5.31 H new ATOM 0 HG2 GLN A 70 -7.745 3.021 4.483 1.00 43.24 H new ATOM 0 HG3 GLN A 70 -8.550 1.507 4.123 1.00 43.24 H new ATOM 0 HE21 GLN A 70 -8.239 3.767 2.318 1.00 4.51 H new ATOM 0 HE22 GLN A 70 -9.873 4.273 1.877 1.00 4.51 H new ATOM 1106 N ASN A 71 -9.789 0.590 8.559 1.00 12.44 N ATOM 1107 CA ASN A 71 -10.428 0.389 9.879 1.00 12.30 C ATOM 1108 C ASN A 71 -9.441 -0.225 10.882 1.00 52.41 C ATOM 1109 O ASN A 71 -9.162 0.365 11.936 1.00 12.23 O ATOM 1110 CB ASN A 71 -11.681 -0.521 9.741 1.00 41.05 C ATOM 1111 CG ASN A 71 -12.802 0.080 8.890 1.00 63.20 C ATOM 1112 OD1 ASN A 71 -13.010 1.291 8.874 1.00 22.13 O ATOM 1113 ND2 ASN A 71 -13.521 -0.758 8.160 1.00 12.05 N ATOM 0 H ASN A 71 -10.215 0.035 7.817 1.00 12.44 H new ATOM 0 HA ASN A 71 -10.736 1.365 10.255 1.00 12.30 H new ATOM 0 HB2 ASN A 71 -11.379 -1.473 9.304 1.00 41.05 H new ATOM 0 HB3 ASN A 71 -12.071 -0.737 10.736 1.00 41.05 H new ATOM 0 HD21 ASN A 71 -14.269 -0.403 7.565 1.00 12.05 H new ATOM 0 HD22 ASN A 71 -13.327 -1.759 8.193 1.00 12.05 H new ATOM 1120 N GLU A 72 -8.916 -1.417 10.543 1.00 54.41 N ATOM 1121 CA GLU A 72 -7.982 -2.161 11.402 1.00 43.12 C ATOM 1122 C GLU A 72 -6.702 -1.361 11.682 1.00 12.14 C ATOM 1123 O GLU A 72 -6.246 -1.335 12.818 1.00 53.21 O ATOM 1124 CB GLU A 72 -7.665 -3.542 10.788 1.00 15.03 C ATOM 1125 CG GLU A 72 -8.903 -4.465 10.653 1.00 1.22 C ATOM 1126 CD GLU A 72 -8.622 -5.796 9.930 1.00 42.40 C ATOM 1127 OE1 GLU A 72 -7.606 -5.908 9.195 1.00 3.32 O ATOM 1128 OE2 GLU A 72 -9.410 -6.744 10.107 1.00 11.01 O ATOM 0 H GLU A 72 -9.129 -1.890 9.665 1.00 54.41 H new ATOM 0 HA GLU A 72 -8.469 -2.321 12.364 1.00 43.12 H new ATOM 0 HB2 GLU A 72 -7.221 -3.398 9.803 1.00 15.03 H new ATOM 0 HB3 GLU A 72 -6.917 -4.041 11.405 1.00 15.03 H new ATOM 0 HG2 GLU A 72 -9.292 -4.680 11.648 1.00 1.22 H new ATOM 0 HG3 GLU A 72 -9.685 -3.929 10.114 1.00 1.22 H new ATOM 1135 N ALA A 73 -6.175 -0.660 10.667 1.00 31.13 N ATOM 1136 CA ALA A 73 -4.978 0.186 10.827 1.00 41.03 C ATOM 1137 C ALA A 73 -5.218 1.292 11.879 1.00 22.52 C ATOM 1138 O ALA A 73 -4.450 1.405 12.837 1.00 51.40 O ATOM 1139 CB ALA A 73 -4.552 0.778 9.478 1.00 23.35 C ATOM 0 H ALA A 73 -6.559 -0.661 9.722 1.00 31.13 H new ATOM 0 HA ALA A 73 -4.162 -0.439 11.191 1.00 41.03 H new ATOM 0 HB1 ALA A 73 -3.667 1.399 9.616 1.00 23.35 H new ATOM 0 HB2 ALA A 73 -4.323 -0.029 8.782 1.00 23.35 H new ATOM 0 HB3 ALA A 73 -5.362 1.385 9.075 1.00 23.35 H new ATOM 1145 N LYS A 74 -6.324 2.051 11.723 1.00 63.50 N ATOM 1146 CA LYS A 74 -6.637 3.172 12.638 1.00 2.24 C ATOM 1147 C LYS A 74 -6.920 2.692 14.089 1.00 24.33 C ATOM 1148 O LYS A 74 -6.584 3.401 15.043 1.00 73.40 O ATOM 1149 CB LYS A 74 -7.807 4.058 12.100 1.00 54.54 C ATOM 1150 CG LYS A 74 -9.228 3.460 12.229 1.00 4.34 C ATOM 1151 CD LYS A 74 -10.339 4.390 11.674 1.00 0.31 C ATOM 1152 CE LYS A 74 -10.256 4.601 10.152 1.00 64.14 C ATOM 1153 NZ LYS A 74 -11.288 5.563 9.660 1.00 2.43 N ATOM 0 H LYS A 74 -7.009 1.911 10.980 1.00 63.50 H new ATOM 0 HA LYS A 74 -5.742 3.793 12.674 1.00 2.24 H new ATOM 0 HB2 LYS A 74 -7.787 5.011 12.628 1.00 54.54 H new ATOM 0 HB3 LYS A 74 -7.619 4.273 11.048 1.00 54.54 H new ATOM 0 HG2 LYS A 74 -9.263 2.508 11.700 1.00 4.34 H new ATOM 0 HG3 LYS A 74 -9.432 3.249 13.279 1.00 4.34 H new ATOM 0 HD2 LYS A 74 -11.313 3.968 11.922 1.00 0.31 H new ATOM 0 HD3 LYS A 74 -10.274 5.358 12.171 1.00 0.31 H new ATOM 0 HE2 LYS A 74 -9.264 4.970 9.891 1.00 64.14 H new ATOM 0 HE3 LYS A 74 -10.383 3.644 9.646 1.00 64.14 H new ATOM 0 HZ1 LYS A 74 -11.195 5.675 8.630 1.00 2.43 H new ATOM 0 HZ2 LYS A 74 -12.236 5.200 9.885 1.00 2.43 H new ATOM 0 HZ3 LYS A 74 -11.152 6.485 10.122 1.00 2.43 H new ATOM 1167 N LYS A 75 -7.490 1.473 14.257 1.00 50.44 N ATOM 1168 CA LYS A 75 -7.847 0.954 15.607 1.00 3.42 C ATOM 1169 C LYS A 75 -6.631 0.308 16.307 1.00 14.41 C ATOM 1170 O LYS A 75 -6.560 0.306 17.536 1.00 50.14 O ATOM 1171 CB LYS A 75 -9.057 -0.029 15.547 1.00 71.31 C ATOM 1172 CG LYS A 75 -8.765 -1.429 14.969 1.00 71.44 C ATOM 1173 CD LYS A 75 -10.040 -2.302 14.828 1.00 71.25 C ATOM 1174 CE LYS A 75 -11.066 -1.714 13.843 1.00 11.20 C ATOM 1175 NZ LYS A 75 -12.290 -2.551 13.730 1.00 1.30 N ATOM 0 H LYS A 75 -7.711 0.838 13.490 1.00 50.44 H new ATOM 0 HA LYS A 75 -8.154 1.810 16.208 1.00 3.42 H new ATOM 0 HB2 LYS A 75 -9.452 -0.150 16.556 1.00 71.31 H new ATOM 0 HB3 LYS A 75 -9.844 0.432 14.950 1.00 71.31 H new ATOM 0 HG2 LYS A 75 -8.294 -1.322 13.992 1.00 71.44 H new ATOM 0 HG3 LYS A 75 -8.050 -1.941 15.613 1.00 71.44 H new ATOM 0 HD2 LYS A 75 -9.755 -3.300 14.495 1.00 71.25 H new ATOM 0 HD3 LYS A 75 -10.507 -2.414 15.807 1.00 71.25 H new ATOM 0 HE2 LYS A 75 -11.344 -0.711 14.168 1.00 11.20 H new ATOM 0 HE3 LYS A 75 -10.606 -1.614 12.860 1.00 11.20 H new ATOM 0 HZ1 LYS A 75 -12.949 -2.113 13.055 1.00 1.30 H new ATOM 0 HZ2 LYS A 75 -12.031 -3.501 13.394 1.00 1.30 H new ATOM 0 HZ3 LYS A 75 -12.747 -2.626 14.661 1.00 1.30 H new ATOM 1189 N GLU A 76 -5.675 -0.227 15.518 1.00 2.24 N ATOM 1190 CA GLU A 76 -4.392 -0.764 16.049 1.00 31.32 C ATOM 1191 C GLU A 76 -3.371 0.362 16.273 1.00 5.21 C ATOM 1192 O GLU A 76 -2.288 0.122 16.833 1.00 4.24 O ATOM 1193 CB GLU A 76 -3.795 -1.813 15.075 1.00 64.43 C ATOM 1194 CG GLU A 76 -4.678 -3.048 14.810 1.00 54.21 C ATOM 1195 CD GLU A 76 -5.096 -3.791 16.084 1.00 4.12 C ATOM 1196 OE1 GLU A 76 -4.259 -4.531 16.645 1.00 14.31 O ATOM 1197 OE2 GLU A 76 -6.269 -3.660 16.516 1.00 13.41 O ATOM 0 H GLU A 76 -5.763 -0.301 14.505 1.00 2.24 H new ATOM 0 HA GLU A 76 -4.606 -1.240 17.006 1.00 31.32 H new ATOM 0 HB2 GLU A 76 -3.589 -1.324 14.123 1.00 64.43 H new ATOM 0 HB3 GLU A 76 -2.838 -2.150 15.473 1.00 64.43 H new ATOM 0 HG2 GLU A 76 -5.573 -2.735 14.272 1.00 54.21 H new ATOM 0 HG3 GLU A 76 -4.139 -3.736 14.159 1.00 54.21 H new ATOM 1204 N GLY A 77 -3.724 1.578 15.825 1.00 31.54 N ATOM 1205 CA GLY A 77 -2.832 2.727 15.882 1.00 34.05 C ATOM 1206 C GLY A 77 -1.726 2.699 14.835 1.00 13.54 C ATOM 1207 O GLY A 77 -0.745 3.425 14.964 1.00 2.55 O ATOM 0 H GLY A 77 -4.636 1.783 15.416 1.00 31.54 H new ATOM 0 HA2 GLY A 77 -3.418 3.637 15.754 1.00 34.05 H new ATOM 0 HA3 GLY A 77 -2.380 2.776 16.873 1.00 34.05 H new ATOM 1211 N VAL A 78 -1.869 1.842 13.809 1.00 5.24 N ATOM 1212 CA VAL A 78 -0.970 1.834 12.645 1.00 41.21 C ATOM 1213 C VAL A 78 -1.365 2.992 11.719 1.00 64.34 C ATOM 1214 O VAL A 78 -2.501 3.032 11.232 1.00 34.24 O ATOM 1215 CB VAL A 78 -1.044 0.471 11.854 1.00 13.15 C ATOM 1216 CG1 VAL A 78 -0.127 0.479 10.605 1.00 53.43 C ATOM 1217 CG2 VAL A 78 -0.709 -0.718 12.776 1.00 11.11 C ATOM 0 H VAL A 78 -2.607 1.140 13.764 1.00 5.24 H new ATOM 0 HA VAL A 78 0.055 1.950 12.996 1.00 41.21 H new ATOM 0 HB VAL A 78 -2.069 0.354 11.503 1.00 13.15 H new ATOM 0 HG11 VAL A 78 -0.207 -0.478 10.089 1.00 53.43 H new ATOM 0 HG12 VAL A 78 -0.434 1.281 9.933 1.00 53.43 H new ATOM 0 HG13 VAL A 78 0.906 0.639 10.913 1.00 53.43 H new ATOM 0 HG21 VAL A 78 -0.767 -1.646 12.208 1.00 11.11 H new ATOM 0 HG22 VAL A 78 0.299 -0.598 13.173 1.00 11.11 H new ATOM 0 HG23 VAL A 78 -1.422 -0.752 13.600 1.00 11.11 H new ATOM 1227 N SER A 79 -0.429 3.919 11.462 1.00 0.34 N ATOM 1228 CA SER A 79 -0.700 5.104 10.633 1.00 25.51 C ATOM 1229 C SER A 79 -0.659 4.707 9.141 1.00 24.02 C ATOM 1230 O SER A 79 -0.050 3.688 8.781 1.00 24.54 O ATOM 1231 CB SER A 79 0.325 6.207 10.950 1.00 5.14 C ATOM 1232 OG SER A 79 0.440 6.407 12.352 1.00 20.44 O ATOM 0 H SER A 79 0.526 3.870 11.818 1.00 0.34 H new ATOM 0 HA SER A 79 -1.693 5.495 10.856 1.00 25.51 H new ATOM 0 HB2 SER A 79 1.296 5.935 10.537 1.00 5.14 H new ATOM 0 HB3 SER A 79 0.023 7.138 10.470 1.00 5.14 H new ATOM 0 HG SER A 79 1.098 7.111 12.529 1.00 20.44 H new ATOM 1238 N TYR A 80 -1.321 5.499 8.283 1.00 4.33 N ATOM 1239 CA TYR A 80 -1.422 5.212 6.841 1.00 22.42 C ATOM 1240 C TYR A 80 -1.901 6.453 6.076 1.00 75.14 C ATOM 1241 O TYR A 80 -2.528 7.347 6.655 1.00 11.41 O ATOM 1242 CB TYR A 80 -2.384 4.007 6.570 1.00 13.53 C ATOM 1243 CG TYR A 80 -3.855 4.259 6.949 1.00 1.31 C ATOM 1244 CD1 TYR A 80 -4.284 4.208 8.281 1.00 53.44 C ATOM 1245 CD2 TYR A 80 -4.816 4.560 5.974 1.00 74.04 C ATOM 1246 CE1 TYR A 80 -5.604 4.445 8.620 1.00 42.11 C ATOM 1247 CE2 TYR A 80 -6.132 4.796 6.317 1.00 14.31 C ATOM 1248 CZ TYR A 80 -6.519 4.739 7.636 1.00 62.43 C ATOM 1249 OH TYR A 80 -7.833 4.977 7.970 1.00 53.04 O ATOM 0 H TYR A 80 -1.800 6.354 8.567 1.00 4.33 H new ATOM 0 HA TYR A 80 -0.428 4.941 6.486 1.00 22.42 H new ATOM 0 HB2 TYR A 80 -2.335 3.751 5.512 1.00 13.53 H new ATOM 0 HB3 TYR A 80 -2.024 3.140 7.124 1.00 13.53 H new ATOM 0 HD1 TYR A 80 -3.570 3.979 9.059 1.00 53.44 H new ATOM 0 HD2 TYR A 80 -4.522 4.608 4.936 1.00 74.04 H new ATOM 0 HE1 TYR A 80 -5.915 4.399 9.653 1.00 42.11 H new ATOM 0 HE2 TYR A 80 -6.857 5.025 5.550 1.00 14.31 H new ATOM 0 HH TYR A 80 -8.292 5.397 7.213 1.00 53.04 H new ATOM 1259 N ASP A 81 -1.592 6.487 4.776 1.00 42.53 N ATOM 1260 CA ASP A 81 -2.138 7.474 3.826 1.00 41.54 C ATOM 1261 C ASP A 81 -2.686 6.737 2.604 1.00 10.32 C ATOM 1262 O ASP A 81 -1.993 5.909 2.002 1.00 51.12 O ATOM 1263 CB ASP A 81 -1.074 8.536 3.407 1.00 74.02 C ATOM 1264 CG ASP A 81 -0.965 9.695 4.418 1.00 61.30 C ATOM 1265 OD1 ASP A 81 -1.847 10.580 4.416 1.00 3.33 O ATOM 1266 OD2 ASP A 81 -0.021 9.720 5.232 1.00 72.31 O ATOM 0 H ASP A 81 -0.948 5.824 4.344 1.00 42.53 H new ATOM 0 HA ASP A 81 -2.943 8.020 4.318 1.00 41.54 H new ATOM 0 HB2 ASP A 81 -0.102 8.052 3.308 1.00 74.02 H new ATOM 0 HB3 ASP A 81 -1.332 8.937 2.427 1.00 74.02 H new ATOM 1271 N VAL A 82 -3.948 7.040 2.264 1.00 0.21 N ATOM 1272 CA VAL A 82 -4.662 6.432 1.140 1.00 34.31 C ATOM 1273 C VAL A 82 -4.374 7.239 -0.139 1.00 32.44 C ATOM 1274 O VAL A 82 -4.723 8.422 -0.236 1.00 22.45 O ATOM 1275 CB VAL A 82 -6.215 6.372 1.421 1.00 75.00 C ATOM 1276 CG1 VAL A 82 -6.986 5.708 0.254 1.00 5.54 C ATOM 1277 CG2 VAL A 82 -6.503 5.649 2.760 1.00 61.55 C ATOM 0 H VAL A 82 -4.506 7.725 2.773 1.00 0.21 H new ATOM 0 HA VAL A 82 -4.312 5.408 1.009 1.00 34.31 H new ATOM 0 HB VAL A 82 -6.573 7.398 1.501 1.00 75.00 H new ATOM 0 HG11 VAL A 82 -8.051 5.686 0.487 1.00 5.54 H new ATOM 0 HG12 VAL A 82 -6.826 6.280 -0.660 1.00 5.54 H new ATOM 0 HG13 VAL A 82 -6.625 4.689 0.112 1.00 5.54 H new ATOM 0 HG21 VAL A 82 -7.579 5.619 2.933 1.00 61.55 H new ATOM 0 HG22 VAL A 82 -6.114 4.632 2.715 1.00 61.55 H new ATOM 0 HG23 VAL A 82 -6.019 6.187 3.575 1.00 61.55 H new ATOM 1287 N LEU A 83 -3.707 6.588 -1.095 1.00 63.12 N ATOM 1288 CA LEU A 83 -3.359 7.164 -2.400 1.00 0.12 C ATOM 1289 C LEU A 83 -4.243 6.516 -3.472 1.00 24.13 C ATOM 1290 O LEU A 83 -4.167 5.310 -3.685 1.00 24.34 O ATOM 1291 CB LEU A 83 -1.853 6.912 -2.702 1.00 10.23 C ATOM 1292 CG LEU A 83 -1.324 7.405 -4.093 1.00 24.40 C ATOM 1293 CD1 LEU A 83 -1.425 8.940 -4.247 1.00 41.34 C ATOM 1294 CD2 LEU A 83 0.116 6.901 -4.349 1.00 24.51 C ATOM 0 H LEU A 83 -3.386 5.626 -0.983 1.00 63.12 H new ATOM 0 HA LEU A 83 -3.529 8.241 -2.395 1.00 0.12 H new ATOM 0 HB2 LEU A 83 -1.264 7.395 -1.923 1.00 10.23 H new ATOM 0 HB3 LEU A 83 -1.665 5.841 -2.626 1.00 10.23 H new ATOM 0 HG LEU A 83 -1.971 6.973 -4.856 1.00 24.40 H new ATOM 0 HD11 LEU A 83 -1.047 9.233 -5.226 1.00 41.34 H new ATOM 0 HD12 LEU A 83 -2.467 9.247 -4.153 1.00 41.34 H new ATOM 0 HD13 LEU A 83 -0.833 9.423 -3.470 1.00 41.34 H new ATOM 0 HD21 LEU A 83 0.459 7.257 -5.320 1.00 24.51 H new ATOM 0 HD22 LEU A 83 0.778 7.279 -3.570 1.00 24.51 H new ATOM 0 HD23 LEU A 83 0.127 5.811 -4.337 1.00 24.51 H new ATOM 1306 N LYS A 84 -5.108 7.307 -4.117 1.00 22.23 N ATOM 1307 CA LYS A 84 -5.965 6.842 -5.221 1.00 11.53 C ATOM 1308 C LYS A 84 -5.623 7.653 -6.478 1.00 10.35 C ATOM 1309 O LYS A 84 -6.051 8.803 -6.631 1.00 53.53 O ATOM 1310 CB LYS A 84 -7.477 6.941 -4.842 1.00 63.34 C ATOM 1311 CG LYS A 84 -7.893 5.998 -3.678 1.00 61.32 C ATOM 1312 CD LYS A 84 -9.429 5.866 -3.453 1.00 64.40 C ATOM 1313 CE LYS A 84 -10.063 7.035 -2.668 1.00 22.14 C ATOM 1314 NZ LYS A 84 -10.041 8.324 -3.408 1.00 21.52 N ATOM 0 H LYS A 84 -5.236 8.293 -3.889 1.00 22.23 H new ATOM 0 HA LYS A 84 -5.775 5.788 -5.422 1.00 11.53 H new ATOM 0 HB2 LYS A 84 -7.706 7.970 -4.564 1.00 63.34 H new ATOM 0 HB3 LYS A 84 -8.079 6.707 -5.720 1.00 63.34 H new ATOM 0 HG2 LYS A 84 -7.483 5.007 -3.870 1.00 61.32 H new ATOM 0 HG3 LYS A 84 -7.436 6.359 -2.757 1.00 61.32 H new ATOM 0 HD2 LYS A 84 -9.920 5.787 -4.423 1.00 64.40 H new ATOM 0 HD3 LYS A 84 -9.627 4.937 -2.919 1.00 64.40 H new ATOM 0 HE2 LYS A 84 -11.095 6.782 -2.425 1.00 22.14 H new ATOM 0 HE3 LYS A 84 -9.533 7.158 -1.723 1.00 22.14 H new ATOM 0 HZ1 LYS A 84 -10.848 8.908 -3.111 1.00 21.52 H new ATOM 0 HZ2 LYS A 84 -9.155 8.828 -3.202 1.00 21.52 H new ATOM 0 HZ3 LYS A 84 -10.104 8.139 -4.429 1.00 21.52 H new ATOM 1328 N SER A 85 -4.786 7.054 -7.343 1.00 1.43 N ATOM 1329 CA SER A 85 -4.308 7.670 -8.595 1.00 65.20 C ATOM 1330 C SER A 85 -4.149 6.582 -9.672 1.00 23.13 C ATOM 1331 O SER A 85 -3.602 5.515 -9.400 1.00 50.31 O ATOM 1332 CB SER A 85 -2.965 8.415 -8.355 1.00 41.33 C ATOM 1333 OG SER A 85 -3.106 9.453 -7.393 1.00 51.50 O ATOM 0 H SER A 85 -4.417 6.115 -7.191 1.00 1.43 H new ATOM 0 HA SER A 85 -5.038 8.402 -8.939 1.00 65.20 H new ATOM 0 HB2 SER A 85 -2.210 7.705 -8.017 1.00 41.33 H new ATOM 0 HB3 SER A 85 -2.609 8.836 -9.295 1.00 41.33 H new ATOM 0 HG SER A 85 -2.243 9.900 -7.265 1.00 51.50 H new ATOM 1339 N THR A 86 -4.646 6.854 -10.885 1.00 22.12 N ATOM 1340 CA THR A 86 -4.591 5.923 -12.022 1.00 52.22 C ATOM 1341 C THR A 86 -3.581 6.452 -13.050 1.00 31.14 C ATOM 1342 O THR A 86 -3.959 7.130 -14.015 1.00 65.31 O ATOM 1343 CB THR A 86 -6.011 5.757 -12.664 1.00 62.11 C ATOM 1344 OG1 THR A 86 -6.584 7.054 -12.930 1.00 33.01 O ATOM 1345 CG2 THR A 86 -6.965 4.969 -11.762 1.00 44.01 C ATOM 0 H THR A 86 -5.104 7.738 -11.109 1.00 22.12 H new ATOM 0 HA THR A 86 -4.269 4.940 -11.677 1.00 52.22 H new ATOM 0 HB THR A 86 -5.881 5.199 -13.591 1.00 62.11 H new ATOM 0 HG1 THR A 86 -5.961 7.582 -13.473 1.00 33.01 H new ATOM 0 HG21 THR A 86 -7.936 4.880 -12.249 1.00 44.01 H new ATOM 0 HG22 THR A 86 -6.557 3.974 -11.582 1.00 44.01 H new ATOM 0 HG23 THR A 86 -7.082 5.491 -10.812 1.00 44.01 H new ATOM 1353 N ASP A 87 -2.285 6.146 -12.827 1.00 60.43 N ATOM 1354 CA ASP A 87 -1.182 6.715 -13.616 1.00 24.12 C ATOM 1355 C ASP A 87 0.160 6.063 -13.173 1.00 24.51 C ATOM 1356 O ASP A 87 0.535 6.166 -11.992 1.00 52.31 O ATOM 1357 CB ASP A 87 -1.126 8.261 -13.439 1.00 2.21 C ATOM 1358 CG ASP A 87 -0.127 8.945 -14.388 1.00 50.35 C ATOM 1359 OD1 ASP A 87 1.084 8.953 -14.091 1.00 72.01 O ATOM 1360 OD2 ASP A 87 -0.553 9.468 -15.440 1.00 1.02 O ATOM 0 H ASP A 87 -1.980 5.501 -12.098 1.00 60.43 H new ATOM 0 HA ASP A 87 -1.349 6.504 -14.672 1.00 24.12 H new ATOM 0 HB2 ASP A 87 -2.120 8.676 -13.608 1.00 2.21 H new ATOM 0 HB3 ASP A 87 -0.855 8.492 -12.409 1.00 2.21 H new ATOM 1365 N PRO A 88 0.914 5.401 -14.117 1.00 63.25 N ATOM 1366 CA PRO A 88 2.100 4.556 -13.775 1.00 31.24 C ATOM 1367 C PRO A 88 3.269 5.340 -13.142 1.00 22.11 C ATOM 1368 O PRO A 88 3.929 4.843 -12.229 1.00 64.52 O ATOM 1369 CB PRO A 88 2.501 3.941 -15.145 1.00 25.31 C ATOM 1370 CG PRO A 88 1.990 4.921 -16.156 1.00 75.12 C ATOM 1371 CD PRO A 88 0.681 5.423 -15.592 1.00 44.32 C ATOM 0 HA PRO A 88 1.857 3.817 -13.011 1.00 31.24 H new ATOM 0 HB2 PRO A 88 3.581 3.815 -15.224 1.00 25.31 H new ATOM 0 HB3 PRO A 88 2.055 2.956 -15.285 1.00 25.31 H new ATOM 0 HG2 PRO A 88 2.695 5.739 -16.303 1.00 75.12 H new ATOM 0 HG3 PRO A 88 1.845 4.447 -17.127 1.00 75.12 H new ATOM 0 HD2 PRO A 88 0.448 6.427 -15.948 1.00 44.32 H new ATOM 0 HD3 PRO A 88 -0.153 4.782 -15.878 1.00 44.32 H new ATOM 1379 N GLU A 89 3.495 6.575 -13.608 1.00 11.05 N ATOM 1380 CA GLU A 89 4.651 7.385 -13.168 1.00 3.32 C ATOM 1381 C GLU A 89 4.279 8.198 -11.917 1.00 20.14 C ATOM 1382 O GLU A 89 5.159 8.571 -11.133 1.00 12.24 O ATOM 1383 CB GLU A 89 5.163 8.288 -14.319 1.00 72.24 C ATOM 1384 CG GLU A 89 4.199 9.399 -14.774 1.00 41.24 C ATOM 1385 CD GLU A 89 4.692 10.148 -16.022 1.00 43.34 C ATOM 1386 OE1 GLU A 89 5.715 10.856 -15.924 1.00 35.33 O ATOM 1387 OE2 GLU A 89 4.070 10.015 -17.099 1.00 32.35 O ATOM 0 H GLU A 89 2.896 7.040 -14.290 1.00 11.05 H new ATOM 0 HA GLU A 89 5.471 6.719 -12.900 1.00 3.32 H new ATOM 0 HB2 GLU A 89 6.099 8.750 -14.005 1.00 72.24 H new ATOM 0 HB3 GLU A 89 5.392 7.657 -15.177 1.00 72.24 H new ATOM 0 HG2 GLU A 89 3.222 8.962 -14.981 1.00 41.24 H new ATOM 0 HG3 GLU A 89 4.064 10.111 -13.960 1.00 41.24 H new ATOM 1394 N GLU A 90 2.966 8.438 -11.728 1.00 14.03 N ATOM 1395 CA GLU A 90 2.434 9.132 -10.548 1.00 14.33 C ATOM 1396 C GLU A 90 2.677 8.287 -9.296 1.00 62.42 C ATOM 1397 O GLU A 90 3.334 8.720 -8.357 1.00 42.20 O ATOM 1398 CB GLU A 90 0.914 9.372 -10.716 1.00 31.24 C ATOM 1399 CG GLU A 90 0.263 10.233 -9.624 1.00 42.23 C ATOM 1400 CD GLU A 90 0.783 11.681 -9.614 1.00 11.21 C ATOM 1401 OE1 GLU A 90 0.372 12.473 -10.495 1.00 1.01 O ATOM 1402 OE2 GLU A 90 1.612 12.029 -8.746 1.00 10.32 O ATOM 0 H GLU A 90 2.247 8.154 -12.393 1.00 14.03 H new ATOM 0 HA GLU A 90 2.942 10.091 -10.445 1.00 14.33 H new ATOM 0 HB2 GLU A 90 0.742 9.847 -11.682 1.00 31.24 H new ATOM 0 HB3 GLU A 90 0.411 8.406 -10.742 1.00 31.24 H new ATOM 0 HG2 GLU A 90 -0.817 10.241 -9.771 1.00 42.23 H new ATOM 0 HG3 GLU A 90 0.449 9.779 -8.651 1.00 42.23 H new ATOM 1409 N LEU A 91 2.174 7.042 -9.353 1.00 24.25 N ATOM 1410 CA LEU A 91 2.234 6.111 -8.220 1.00 3.32 C ATOM 1411 C LEU A 91 3.701 5.795 -7.853 1.00 72.15 C ATOM 1412 O LEU A 91 4.045 5.788 -6.681 1.00 1.11 O ATOM 1413 CB LEU A 91 1.467 4.812 -8.535 1.00 53.21 C ATOM 1414 CG LEU A 91 -0.051 4.945 -8.841 1.00 53.31 C ATOM 1415 CD1 LEU A 91 -0.624 3.584 -9.271 1.00 64.12 C ATOM 1416 CD2 LEU A 91 -0.823 5.517 -7.634 1.00 15.43 C ATOM 0 H LEU A 91 1.718 6.658 -10.181 1.00 24.25 H new ATOM 0 HA LEU A 91 1.758 6.590 -7.364 1.00 3.32 H new ATOM 0 HB2 LEU A 91 1.945 4.336 -9.391 1.00 53.21 H new ATOM 0 HB3 LEU A 91 1.584 4.136 -7.688 1.00 53.21 H new ATOM 0 HG LEU A 91 -0.173 5.650 -9.663 1.00 53.31 H new ATOM 0 HD11 LEU A 91 -1.688 3.688 -9.483 1.00 64.12 H new ATOM 0 HD12 LEU A 91 -0.108 3.238 -10.166 1.00 64.12 H new ATOM 0 HD13 LEU A 91 -0.483 2.860 -8.469 1.00 64.12 H new ATOM 0 HD21 LEU A 91 -1.881 5.596 -7.883 1.00 15.43 H new ATOM 0 HD22 LEU A 91 -0.701 4.855 -6.777 1.00 15.43 H new ATOM 0 HD23 LEU A 91 -0.433 6.505 -7.388 1.00 15.43 H new ATOM 1428 N THR A 92 4.559 5.602 -8.883 1.00 72.13 N ATOM 1429 CA THR A 92 5.981 5.238 -8.699 1.00 51.31 C ATOM 1430 C THR A 92 6.750 6.339 -7.943 1.00 53.45 C ATOM 1431 O THR A 92 7.509 6.034 -7.007 1.00 20.11 O ATOM 1432 CB THR A 92 6.670 4.938 -10.075 1.00 71.23 C ATOM 1433 OG1 THR A 92 5.975 3.870 -10.745 1.00 52.33 O ATOM 1434 CG2 THR A 92 8.156 4.542 -9.933 1.00 71.43 C ATOM 0 H THR A 92 4.284 5.694 -9.861 1.00 72.13 H new ATOM 0 HA THR A 92 6.008 4.331 -8.096 1.00 51.31 H new ATOM 0 HB THR A 92 6.624 5.862 -10.652 1.00 71.23 H new ATOM 0 HG1 THR A 92 5.279 4.245 -11.324 1.00 52.33 H new ATOM 0 HG21 THR A 92 8.576 4.347 -10.920 1.00 71.43 H new ATOM 0 HG22 THR A 92 8.705 5.355 -9.459 1.00 71.43 H new ATOM 0 HG23 THR A 92 8.236 3.644 -9.320 1.00 71.43 H new ATOM 1442 N GLN A 93 6.513 7.618 -8.323 1.00 23.14 N ATOM 1443 CA GLN A 93 7.205 8.750 -7.691 1.00 73.24 C ATOM 1444 C GLN A 93 6.685 8.958 -6.253 1.00 51.25 C ATOM 1445 O GLN A 93 7.462 9.336 -5.380 1.00 52.20 O ATOM 1446 CB GLN A 93 7.113 10.057 -8.541 1.00 61.10 C ATOM 1447 CG GLN A 93 5.734 10.746 -8.583 1.00 11.44 C ATOM 1448 CD GLN A 93 5.672 11.988 -9.490 1.00 55.24 C ATOM 1449 OE1 GLN A 93 4.956 12.942 -9.190 1.00 12.03 O ATOM 1450 NE2 GLN A 93 6.373 11.975 -10.628 1.00 11.53 N ATOM 0 H GLN A 93 5.855 7.882 -9.056 1.00 23.14 H new ATOM 0 HA GLN A 93 8.266 8.504 -7.639 1.00 73.24 H new ATOM 0 HB2 GLN A 93 7.841 10.770 -8.153 1.00 61.10 H new ATOM 0 HB3 GLN A 93 7.410 9.823 -9.563 1.00 61.10 H new ATOM 0 HG2 GLN A 93 4.991 10.025 -8.924 1.00 11.44 H new ATOM 0 HG3 GLN A 93 5.455 11.036 -7.570 1.00 11.44 H new ATOM 0 HE21 GLN A 93 6.960 11.173 -10.856 1.00 11.53 H new ATOM 0 HE22 GLN A 93 6.321 12.767 -11.268 1.00 11.53 H new ATOM 1459 N ARG A 94 5.385 8.645 -6.007 1.00 52.42 N ATOM 1460 CA ARG A 94 4.780 8.768 -4.662 1.00 14.42 C ATOM 1461 C ARG A 94 5.276 7.662 -3.703 1.00 71.03 C ATOM 1462 O ARG A 94 5.462 7.922 -2.510 1.00 41.12 O ATOM 1463 CB ARG A 94 3.231 8.776 -4.739 1.00 13.14 C ATOM 1464 CG ARG A 94 2.637 9.935 -5.575 1.00 34.15 C ATOM 1465 CD ARG A 94 3.075 11.331 -5.088 1.00 63.03 C ATOM 1466 NE ARG A 94 2.712 12.370 -6.058 1.00 63.04 N ATOM 1467 CZ ARG A 94 3.302 13.564 -6.189 1.00 62.12 C ATOM 1468 NH1 ARG A 94 4.313 13.934 -5.401 1.00 44.02 N ATOM 1469 NH2 ARG A 94 2.898 14.372 -7.158 1.00 55.32 N ATOM 0 H ARG A 94 4.741 8.307 -6.723 1.00 52.42 H new ATOM 0 HA ARG A 94 5.105 9.725 -4.254 1.00 14.42 H new ATOM 0 HB2 ARG A 94 2.896 7.830 -5.163 1.00 13.14 H new ATOM 0 HB3 ARG A 94 2.830 8.832 -3.727 1.00 13.14 H new ATOM 0 HG2 ARG A 94 2.935 9.812 -6.616 1.00 34.15 H new ATOM 0 HG3 ARG A 94 1.549 9.873 -5.546 1.00 34.15 H new ATOM 0 HD2 ARG A 94 2.607 11.547 -4.128 1.00 63.03 H new ATOM 0 HD3 ARG A 94 4.153 11.341 -4.927 1.00 63.03 H new ATOM 0 HE ARG A 94 1.939 12.163 -6.691 1.00 63.04 H new ATOM 0 HH11 ARG A 94 4.654 13.301 -4.678 1.00 44.02 H new ATOM 0 HH12 ARG A 94 4.745 14.850 -5.522 1.00 44.02 H new ATOM 0 HH21 ARG A 94 2.150 14.080 -7.787 1.00 55.32 H new ATOM 0 HH22 ARG A 94 3.335 15.286 -7.275 1.00 55.32 H new ATOM 1483 N VAL A 95 5.504 6.442 -4.234 1.00 0.23 N ATOM 1484 CA VAL A 95 6.021 5.300 -3.445 1.00 61.32 C ATOM 1485 C VAL A 95 7.453 5.590 -2.982 1.00 21.15 C ATOM 1486 O VAL A 95 7.758 5.501 -1.783 1.00 60.03 O ATOM 1487 CB VAL A 95 5.972 3.946 -4.264 1.00 11.20 C ATOM 1488 CG1 VAL A 95 6.721 2.797 -3.542 1.00 11.43 C ATOM 1489 CG2 VAL A 95 4.514 3.532 -4.566 1.00 41.13 C ATOM 0 H VAL A 95 5.337 6.220 -5.215 1.00 0.23 H new ATOM 0 HA VAL A 95 5.376 5.178 -2.575 1.00 61.32 H new ATOM 0 HB VAL A 95 6.486 4.130 -5.207 1.00 11.20 H new ATOM 0 HG11 VAL A 95 6.660 1.889 -4.142 1.00 11.43 H new ATOM 0 HG12 VAL A 95 7.767 3.073 -3.407 1.00 11.43 H new ATOM 0 HG13 VAL A 95 6.264 2.620 -2.568 1.00 11.43 H new ATOM 0 HG21 VAL A 95 4.510 2.599 -5.129 1.00 41.13 H new ATOM 0 HG22 VAL A 95 3.974 3.393 -3.630 1.00 41.13 H new ATOM 0 HG23 VAL A 95 4.028 4.312 -5.152 1.00 41.13 H new ATOM 1499 N ARG A 96 8.317 5.983 -3.941 1.00 61.54 N ATOM 1500 CA ARG A 96 9.731 6.237 -3.645 1.00 32.22 C ATOM 1501 C ARG A 96 9.898 7.430 -2.679 1.00 55.54 C ATOM 1502 O ARG A 96 10.646 7.325 -1.712 1.00 35.52 O ATOM 1503 CB ARG A 96 10.580 6.430 -4.939 1.00 72.11 C ATOM 1504 CG ARG A 96 10.184 7.632 -5.805 1.00 34.13 C ATOM 1505 CD ARG A 96 11.027 7.769 -7.080 1.00 23.44 C ATOM 1506 NE ARG A 96 12.426 8.129 -6.800 1.00 1.11 N ATOM 1507 CZ ARG A 96 13.419 8.123 -7.699 1.00 3.14 C ATOM 1508 NH1 ARG A 96 13.196 7.767 -8.968 1.00 0.33 N ATOM 1509 NH2 ARG A 96 14.631 8.504 -7.325 1.00 1.12 N ATOM 0 H ARG A 96 8.058 6.129 -4.917 1.00 61.54 H new ATOM 0 HA ARG A 96 10.114 5.347 -3.146 1.00 32.22 H new ATOM 0 HB2 ARG A 96 11.627 6.536 -4.655 1.00 72.11 H new ATOM 0 HB3 ARG A 96 10.503 5.526 -5.543 1.00 72.11 H new ATOM 0 HG2 ARG A 96 9.133 7.541 -6.081 1.00 34.13 H new ATOM 0 HG3 ARG A 96 10.281 8.543 -5.215 1.00 34.13 H new ATOM 0 HD2 ARG A 96 11.001 6.828 -7.630 1.00 23.44 H new ATOM 0 HD3 ARG A 96 10.583 8.528 -7.724 1.00 23.44 H new ATOM 0 HE ARG A 96 12.658 8.405 -5.846 1.00 1.11 H new ATOM 0 HH11 ARG A 96 12.259 7.495 -9.264 1.00 0.33 H new ATOM 0 HH12 ARG A 96 13.963 7.768 -9.640 1.00 0.33 H new ATOM 0 HH21 ARG A 96 14.799 8.797 -6.363 1.00 1.12 H new ATOM 0 HH22 ARG A 96 15.396 8.504 -7.999 1.00 1.12 H new ATOM 1523 N GLU A 97 9.140 8.535 -2.905 1.00 53.11 N ATOM 1524 CA GLU A 97 9.272 9.761 -2.086 1.00 75.24 C ATOM 1525 C GLU A 97 8.740 9.522 -0.662 1.00 43.23 C ATOM 1526 O GLU A 97 9.248 10.107 0.296 1.00 43.34 O ATOM 1527 CB GLU A 97 8.568 10.977 -2.750 1.00 73.14 C ATOM 1528 CG GLU A 97 7.024 10.968 -2.702 1.00 24.25 C ATOM 1529 CD GLU A 97 6.382 12.131 -3.477 1.00 22.21 C ATOM 1530 OE1 GLU A 97 6.457 12.134 -4.721 1.00 71.22 O ATOM 1531 OE2 GLU A 97 5.784 13.037 -2.851 1.00 32.34 O ATOM 0 H GLU A 97 8.438 8.599 -3.642 1.00 53.11 H new ATOM 0 HA GLU A 97 10.333 10.001 -2.020 1.00 75.24 H new ATOM 0 HB2 GLU A 97 8.923 11.887 -2.266 1.00 73.14 H new ATOM 0 HB3 GLU A 97 8.880 11.029 -3.793 1.00 73.14 H new ATOM 0 HG2 GLU A 97 6.661 10.025 -3.110 1.00 24.25 H new ATOM 0 HG3 GLU A 97 6.700 11.011 -1.662 1.00 24.25 H new ATOM 1538 N PHE A 98 7.733 8.630 -0.532 1.00 72.11 N ATOM 1539 CA PHE A 98 7.191 8.192 0.768 1.00 75.42 C ATOM 1540 C PHE A 98 8.277 7.473 1.582 1.00 11.23 C ATOM 1541 O PHE A 98 8.463 7.740 2.770 1.00 74.11 O ATOM 1542 CB PHE A 98 5.980 7.251 0.528 1.00 3.32 C ATOM 1543 CG PHE A 98 5.354 6.658 1.790 1.00 31.14 C ATOM 1544 CD1 PHE A 98 4.414 7.376 2.526 1.00 50.34 C ATOM 1545 CD2 PHE A 98 5.714 5.386 2.247 1.00 72.15 C ATOM 1546 CE1 PHE A 98 3.863 6.844 3.672 1.00 74.12 C ATOM 1547 CE2 PHE A 98 5.160 4.860 3.391 1.00 74.31 C ATOM 1548 CZ PHE A 98 4.238 5.587 4.103 1.00 24.05 C ATOM 0 H PHE A 98 7.273 8.193 -1.331 1.00 72.11 H new ATOM 0 HA PHE A 98 6.861 9.063 1.335 1.00 75.42 H new ATOM 0 HB2 PHE A 98 5.212 7.804 -0.013 1.00 3.32 H new ATOM 0 HB3 PHE A 98 6.299 6.433 -0.118 1.00 3.32 H new ATOM 0 HD1 PHE A 98 4.114 8.359 2.195 1.00 50.34 H new ATOM 0 HD2 PHE A 98 6.438 4.808 1.693 1.00 72.15 H new ATOM 0 HE1 PHE A 98 3.136 7.412 4.234 1.00 74.12 H new ATOM 0 HE2 PHE A 98 5.450 3.876 3.729 1.00 74.31 H new ATOM 0 HZ PHE A 98 3.805 5.175 5.002 1.00 24.05 H new ATOM 1558 N LEU A 99 8.992 6.570 0.912 1.00 20.45 N ATOM 1559 CA LEU A 99 10.062 5.764 1.528 1.00 34.03 C ATOM 1560 C LEU A 99 11.362 6.583 1.710 1.00 43.13 C ATOM 1561 O LEU A 99 12.310 6.107 2.339 1.00 34.33 O ATOM 1562 CB LEU A 99 10.278 4.485 0.684 1.00 3.30 C ATOM 1563 CG LEU A 99 9.022 3.556 0.560 1.00 62.33 C ATOM 1564 CD1 LEU A 99 9.263 2.397 -0.428 1.00 3.32 C ATOM 1565 CD2 LEU A 99 8.572 3.036 1.946 1.00 24.31 C ATOM 0 H LEU A 99 8.850 6.371 -0.078 1.00 20.45 H new ATOM 0 HA LEU A 99 9.760 5.468 2.533 1.00 34.03 H new ATOM 0 HB2 LEU A 99 10.596 4.777 -0.317 1.00 3.30 H new ATOM 0 HB3 LEU A 99 11.094 3.911 1.123 1.00 3.30 H new ATOM 0 HG LEU A 99 8.210 4.159 0.153 1.00 62.33 H new ATOM 0 HD11 LEU A 99 8.369 1.776 -0.486 1.00 3.32 H new ATOM 0 HD12 LEU A 99 9.488 2.801 -1.415 1.00 3.32 H new ATOM 0 HD13 LEU A 99 10.102 1.793 -0.083 1.00 3.32 H new ATOM 0 HD21 LEU A 99 7.699 2.394 1.828 1.00 24.31 H new ATOM 0 HD22 LEU A 99 9.382 2.466 2.401 1.00 24.31 H new ATOM 0 HD23 LEU A 99 8.318 3.881 2.586 1.00 24.31 H new ATOM 1577 N LYS A 100 11.413 7.788 1.111 1.00 73.55 N ATOM 1578 CA LYS A 100 12.482 8.780 1.359 1.00 31.32 C ATOM 1579 C LYS A 100 12.149 9.684 2.553 1.00 52.12 C ATOM 1580 O LYS A 100 13.051 10.097 3.277 1.00 5.03 O ATOM 1581 CB LYS A 100 12.726 9.655 0.106 1.00 21.03 C ATOM 1582 CG LYS A 100 13.303 8.890 -1.102 1.00 5.21 C ATOM 1583 CD LYS A 100 13.426 9.785 -2.357 1.00 13.22 C ATOM 1584 CE LYS A 100 14.347 10.996 -2.132 1.00 23.12 C ATOM 1585 NZ LYS A 100 14.370 11.903 -3.315 1.00 20.41 N ATOM 0 H LYS A 100 10.713 8.104 0.439 1.00 73.55 H new ATOM 0 HA LYS A 100 13.388 8.219 1.590 1.00 31.32 H new ATOM 0 HB2 LYS A 100 11.784 10.117 -0.188 1.00 21.03 H new ATOM 0 HB3 LYS A 100 13.409 10.463 0.369 1.00 21.03 H new ATOM 0 HG2 LYS A 100 14.285 8.493 -0.843 1.00 5.21 H new ATOM 0 HG3 LYS A 100 12.664 8.036 -1.328 1.00 5.21 H new ATOM 0 HD2 LYS A 100 13.810 9.191 -3.186 1.00 13.22 H new ATOM 0 HD3 LYS A 100 12.436 10.135 -2.647 1.00 13.22 H new ATOM 0 HE2 LYS A 100 14.011 11.550 -1.256 1.00 23.12 H new ATOM 0 HE3 LYS A 100 15.358 10.649 -1.921 1.00 23.12 H new ATOM 0 HZ1 LYS A 100 15.002 12.707 -3.124 1.00 20.41 H new ATOM 0 HZ2 LYS A 100 14.715 11.381 -4.146 1.00 20.41 H new ATOM 0 HZ3 LYS A 100 13.409 12.255 -3.502 1.00 20.41 H new ATOM 1599 N THR A 101 10.857 10.008 2.750 1.00 43.32 N ATOM 1600 CA THR A 101 10.427 10.980 3.776 1.00 4.20 C ATOM 1601 C THR A 101 10.163 10.273 5.115 1.00 21.25 C ATOM 1602 O THR A 101 10.676 10.685 6.158 1.00 2.04 O ATOM 1603 CB THR A 101 9.151 11.757 3.312 1.00 32.33 C ATOM 1604 OG1 THR A 101 8.135 10.829 2.888 1.00 63.53 O ATOM 1605 CG2 THR A 101 9.457 12.734 2.166 1.00 31.30 C ATOM 0 H THR A 101 10.089 9.609 2.210 1.00 43.32 H new ATOM 0 HA THR A 101 11.234 11.700 3.915 1.00 4.20 H new ATOM 0 HB THR A 101 8.797 12.336 4.164 1.00 32.33 H new ATOM 0 HG1 THR A 101 8.336 10.516 1.982 1.00 63.53 H new ATOM 0 HG21 THR A 101 8.543 13.252 1.875 1.00 31.30 H new ATOM 0 HG22 THR A 101 10.197 13.462 2.497 1.00 31.30 H new ATOM 0 HG23 THR A 101 9.848 12.182 1.312 1.00 31.30 H new ATOM 1613 N ALA A 102 9.338 9.217 5.069 1.00 71.35 N ATOM 1614 CA ALA A 102 9.075 8.341 6.227 1.00 4.42 C ATOM 1615 C ALA A 102 10.243 7.359 6.443 1.00 40.22 C ATOM 1616 O ALA A 102 10.388 6.788 7.528 1.00 44.01 O ATOM 1617 CB ALA A 102 7.747 7.592 6.034 1.00 63.33 C ATOM 0 H ALA A 102 8.832 8.943 4.227 1.00 71.35 H new ATOM 0 HA ALA A 102 8.991 8.958 7.122 1.00 4.42 H new ATOM 0 HB1 ALA A 102 7.564 6.949 6.895 1.00 63.33 H new ATOM 0 HB2 ALA A 102 6.934 8.312 5.939 1.00 63.33 H new ATOM 0 HB3 ALA A 102 7.800 6.984 5.131 1.00 63.33 H new