USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 651 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 52 TYR OH : rot 124:sc= 0.395 USER MOD Set 1.2: A 58 SER OG : rot -140:sc= 0.0568 USER MOD Set 1.3: A 74 GLN : amide:sc= -2.29 K(o=-1.8,f=-14!) USER MOD Set 1.4: A 79 THR OG1 : rot 87:sc=0.000706 USER MOD Set 2.1: A 15 CYS SG : rot 36:sc= -1.98! USER MOD Set 2.2: A 32 CYS SG : rot -82:sc= -2.57! USER MOD Set 3.1: A 18 GLN : amide:sc= 1.01 K(o=3.4,f=2.2) USER MOD Set 3.2: A 23 TYR OH : rot 86:sc= 1.58 USER MOD Set 3.3: A 87 TYR OH : rot -38:sc= 0.827 USER MOD Single : A 9 ASN : amide:sc= -0.0968 X(o=-0.097,f=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -0.292 X(o=-0.29,f=-0.37) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN :FLIP amide:sc= 0 F(o=-1.1!,f=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= -0.602 USER MOD Single : A 26 ASN : amide:sc= -0.12 K(o=-0.12,f=-3.3!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl -167:sc= -0.201 (180deg=-0.834) USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 37 ASN :FLIP amide:sc= -0.547 F(o=-2.2!,f=-0.55) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= -0.0887 USER MOD Single : A 51 TYR OH : rot 30:sc= -0.0331 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.099) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -1.41 K(o=-1.4,f=-2.5!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.24 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN :FLIP amide:sc= -0.904 F(o=-4!,f=-0.9) USER MOD Single : A 72 THR OG1 : rot 86:sc= -0.357! USER MOD Single : A 73 ASN : amide:sc= -0.222 K(o=-0.22,f=-2.5!) USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=-0.032) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -0.568 K(o=-0.57,f=-1.7!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -0.0239 K(o=-0.024,f=-2!) USER MOD Single : A 86 LYS NZ :NH3+ 159:sc= -0.148 (180deg=-0.771) USER MOD Single : A 91 THR OG1 : rot 47:sc= 0.0475 USER MOD ----------------------------------------------------------------- ATOM 73 N ALA A 7 55.361 -2.707 -1.253 1.00 0.00 N ATOM 74 CA ALA A 7 56.825 -2.627 -0.981 1.00 0.00 C ATOM 75 C ALA A 7 57.334 -4.001 -0.525 1.00 0.00 C ATOM 76 O ALA A 7 58.498 -4.173 -0.223 1.00 0.00 O ATOM 77 CB ALA A 7 57.084 -1.588 0.123 1.00 0.00 C ATOM 0 HA ALA A 7 57.350 -2.329 -1.889 1.00 0.00 H new ATOM 0 HB1 ALA A 7 58.154 -1.528 0.323 1.00 0.00 H new ATOM 0 HB2 ALA A 7 56.721 -0.613 -0.202 1.00 0.00 H new ATOM 0 HB3 ALA A 7 56.561 -1.885 1.032 1.00 0.00 H new ATOM 83 N ASP A 8 56.467 -4.982 -0.466 1.00 0.00 N ATOM 84 CA ASP A 8 56.895 -6.346 -0.023 1.00 0.00 C ATOM 85 C ASP A 8 57.277 -7.213 -1.227 1.00 0.00 C ATOM 86 O ASP A 8 58.046 -8.146 -1.105 1.00 0.00 O ATOM 87 CB ASP A 8 55.748 -7.019 0.736 1.00 0.00 C ATOM 88 CG ASP A 8 55.559 -6.336 2.091 1.00 0.00 C ATOM 89 OD1 ASP A 8 56.488 -5.683 2.538 1.00 0.00 O ATOM 90 OD2 ASP A 8 54.492 -6.483 2.664 1.00 0.00 O ATOM 0 H ASP A 8 55.479 -4.897 -0.706 1.00 0.00 H new ATOM 0 HA ASP A 8 57.765 -6.242 0.626 1.00 0.00 H new ATOM 0 HB2 ASP A 8 54.828 -6.957 0.155 1.00 0.00 H new ATOM 0 HB3 ASP A 8 55.964 -8.078 0.878 1.00 0.00 H new ATOM 95 N ASN A 9 56.740 -6.934 -2.386 1.00 0.00 N ATOM 96 CA ASN A 9 57.075 -7.771 -3.583 1.00 0.00 C ATOM 97 C ASN A 9 58.292 -7.190 -4.300 1.00 0.00 C ATOM 98 O ASN A 9 58.682 -7.661 -5.351 1.00 0.00 O ATOM 99 CB ASN A 9 55.889 -7.794 -4.547 1.00 0.00 C ATOM 100 CG ASN A 9 54.718 -8.536 -3.902 1.00 0.00 C ATOM 101 OD1 ASN A 9 53.627 -8.009 -3.808 1.00 0.00 O ATOM 102 ND2 ASN A 9 54.897 -9.747 -3.451 1.00 0.00 N ATOM 0 H ASN A 9 56.088 -6.169 -2.558 1.00 0.00 H new ATOM 0 HA ASN A 9 57.298 -8.785 -3.252 1.00 0.00 H new ATOM 0 HB2 ASN A 9 55.593 -6.776 -4.799 1.00 0.00 H new ATOM 0 HB3 ASN A 9 56.174 -8.283 -5.478 1.00 0.00 H new ATOM 0 HD21 ASN A 9 54.122 -10.251 -3.020 1.00 0.00 H new ATOM 0 HD22 ASN A 9 55.812 -10.190 -3.529 1.00 0.00 H new ATOM 109 N VAL A 10 58.894 -6.169 -3.746 1.00 0.00 N ATOM 110 CA VAL A 10 60.090 -5.546 -4.394 1.00 0.00 C ATOM 111 C VAL A 10 61.301 -5.676 -3.472 1.00 0.00 C ATOM 112 O VAL A 10 61.245 -5.329 -2.309 1.00 0.00 O ATOM 113 CB VAL A 10 59.838 -4.055 -4.623 1.00 0.00 C ATOM 114 CG1 VAL A 10 60.939 -3.481 -5.524 1.00 0.00 C ATOM 115 CG2 VAL A 10 58.479 -3.842 -5.281 1.00 0.00 C ATOM 0 H VAL A 10 58.608 -5.737 -2.868 1.00 0.00 H new ATOM 0 HA VAL A 10 60.273 -6.052 -5.342 1.00 0.00 H new ATOM 0 HB VAL A 10 59.848 -3.544 -3.660 1.00 0.00 H new ATOM 0 HG11 VAL A 10 60.759 -2.418 -5.687 1.00 0.00 H new ATOM 0 HG12 VAL A 10 61.909 -3.615 -5.044 1.00 0.00 H new ATOM 0 HG13 VAL A 10 60.933 -4.001 -6.482 1.00 0.00 H new ATOM 0 HG21 VAL A 10 58.314 -2.776 -5.438 1.00 0.00 H new ATOM 0 HG22 VAL A 10 58.455 -4.358 -6.241 1.00 0.00 H new ATOM 0 HG23 VAL A 10 57.696 -4.240 -4.635 1.00 0.00 H new ATOM 125 N ASP A 11 62.406 -6.132 -3.986 1.00 0.00 N ATOM 126 CA ASP A 11 63.621 -6.230 -3.140 1.00 0.00 C ATOM 127 C ASP A 11 64.266 -4.831 -3.108 1.00 0.00 C ATOM 128 O ASP A 11 64.382 -4.193 -4.135 1.00 0.00 O ATOM 129 CB ASP A 11 64.593 -7.236 -3.763 1.00 0.00 C ATOM 130 CG ASP A 11 63.919 -8.606 -3.865 1.00 0.00 C ATOM 131 OD1 ASP A 11 63.506 -9.119 -2.839 1.00 0.00 O ATOM 132 OD2 ASP A 11 63.829 -9.119 -4.968 1.00 0.00 O ATOM 0 H ASP A 11 62.519 -6.440 -4.952 1.00 0.00 H new ATOM 0 HA ASP A 11 63.374 -6.564 -2.132 1.00 0.00 H new ATOM 0 HB2 ASP A 11 64.900 -6.896 -4.752 1.00 0.00 H new ATOM 0 HB3 ASP A 11 65.496 -7.308 -3.157 1.00 0.00 H new ATOM 137 N PRO A 12 64.666 -4.331 -1.961 1.00 0.00 N ATOM 138 CA PRO A 12 65.277 -2.971 -1.864 1.00 0.00 C ATOM 139 C PRO A 12 66.718 -2.946 -2.391 1.00 0.00 C ATOM 140 O PRO A 12 67.280 -1.900 -2.644 1.00 0.00 O ATOM 141 CB PRO A 12 65.232 -2.677 -0.361 1.00 0.00 C ATOM 142 CG PRO A 12 65.345 -4.019 0.283 1.00 0.00 C ATOM 143 CD PRO A 12 64.594 -4.986 -0.637 1.00 0.00 C ATOM 0 HA PRO A 12 64.750 -2.232 -2.467 1.00 0.00 H new ATOM 0 HB2 PRO A 12 66.049 -2.022 -0.060 1.00 0.00 H new ATOM 0 HB3 PRO A 12 64.304 -2.179 -0.081 1.00 0.00 H new ATOM 0 HG2 PRO A 12 66.389 -4.314 0.392 1.00 0.00 H new ATOM 0 HG3 PRO A 12 64.909 -4.012 1.282 1.00 0.00 H new ATOM 0 HD2 PRO A 12 65.061 -5.971 -0.651 1.00 0.00 H new ATOM 0 HD3 PRO A 12 63.562 -5.127 -0.315 1.00 0.00 H new ATOM 151 N SER A 13 67.314 -4.096 -2.549 1.00 0.00 N ATOM 152 CA SER A 13 68.719 -4.160 -3.049 1.00 0.00 C ATOM 153 C SER A 13 68.783 -3.731 -4.519 1.00 0.00 C ATOM 154 O SER A 13 69.785 -3.222 -4.981 1.00 0.00 O ATOM 155 CB SER A 13 69.227 -5.594 -2.919 1.00 0.00 C ATOM 156 OG SER A 13 68.554 -6.418 -3.861 1.00 0.00 O ATOM 0 H SER A 13 66.886 -5.001 -2.352 1.00 0.00 H new ATOM 0 HA SER A 13 69.339 -3.485 -2.459 1.00 0.00 H new ATOM 0 HB2 SER A 13 70.303 -5.628 -3.092 1.00 0.00 H new ATOM 0 HB3 SER A 13 69.055 -5.963 -1.908 1.00 0.00 H new ATOM 0 HG SER A 13 68.879 -7.339 -3.781 1.00 0.00 H new ATOM 162 N GLN A 14 67.729 -3.937 -5.259 1.00 0.00 N ATOM 163 CA GLN A 14 67.744 -3.546 -6.698 1.00 0.00 C ATOM 164 C GLN A 14 67.516 -2.034 -6.815 1.00 0.00 C ATOM 165 O GLN A 14 67.693 -1.450 -7.866 1.00 0.00 O ATOM 166 CB GLN A 14 66.621 -4.294 -7.429 1.00 0.00 C ATOM 167 CG GLN A 14 66.830 -4.216 -8.946 1.00 0.00 C ATOM 168 CD GLN A 14 68.063 -5.029 -9.341 1.00 0.00 C ATOM 169 OE1 GLN A 14 68.174 -6.191 -9.002 1.00 0.00 O ATOM 170 NE2 GLN A 14 69.002 -4.464 -10.051 1.00 0.00 N ATOM 0 H GLN A 14 66.860 -4.358 -4.931 1.00 0.00 H new ATOM 0 HA GLN A 14 68.706 -3.801 -7.143 1.00 0.00 H new ATOM 0 HB2 GLN A 14 66.602 -5.336 -7.111 1.00 0.00 H new ATOM 0 HB3 GLN A 14 65.655 -3.862 -7.165 1.00 0.00 H new ATOM 0 HG2 GLN A 14 65.950 -4.598 -9.464 1.00 0.00 H new ATOM 0 HG3 GLN A 14 66.954 -3.177 -9.252 1.00 0.00 H new ATOM 0 HE21 GLN A 14 68.909 -3.489 -10.336 1.00 0.00 H new ATOM 0 HE22 GLN A 14 69.828 -4.998 -10.321 1.00 0.00 H new ATOM 179 N CYS A 15 67.130 -1.392 -5.743 1.00 0.00 N ATOM 180 CA CYS A 15 66.893 0.080 -5.805 1.00 0.00 C ATOM 181 C CYS A 15 68.227 0.814 -5.973 1.00 0.00 C ATOM 182 O CYS A 15 68.324 1.770 -6.718 1.00 0.00 O ATOM 183 CB CYS A 15 66.216 0.548 -4.518 1.00 0.00 C ATOM 184 SG CYS A 15 65.542 2.209 -4.772 1.00 0.00 S ATOM 0 H CYS A 15 66.969 -1.821 -4.832 1.00 0.00 H new ATOM 0 HA CYS A 15 66.249 0.301 -6.656 1.00 0.00 H new ATOM 0 HB2 CYS A 15 65.420 -0.142 -4.240 1.00 0.00 H new ATOM 0 HB3 CYS A 15 66.933 0.555 -3.697 1.00 0.00 H new ATOM 0 HG CYS A 15 65.097 2.315 -5.989 1.00 0.00 H new ATOM 189 N ILE A 16 69.260 0.366 -5.293 1.00 0.00 N ATOM 190 CA ILE A 16 70.604 1.024 -5.412 1.00 0.00 C ATOM 191 C ILE A 16 71.614 -0.017 -5.896 1.00 0.00 C ATOM 192 O ILE A 16 71.550 -1.171 -5.523 1.00 0.00 O ATOM 193 CB ILE A 16 71.041 1.621 -4.050 1.00 0.00 C ATOM 194 CG1 ILE A 16 71.565 0.540 -3.075 1.00 0.00 C ATOM 195 CG2 ILE A 16 69.859 2.347 -3.399 1.00 0.00 C ATOM 196 CD1 ILE A 16 70.493 -0.512 -2.746 1.00 0.00 C ATOM 0 H ILE A 16 69.229 -0.431 -4.658 1.00 0.00 H new ATOM 0 HA ILE A 16 70.551 1.844 -6.128 1.00 0.00 H new ATOM 0 HB ILE A 16 71.856 2.317 -4.251 1.00 0.00 H new ATOM 0 HG12 ILE A 16 72.433 0.047 -3.513 1.00 0.00 H new ATOM 0 HG13 ILE A 16 71.900 1.016 -2.153 1.00 0.00 H new ATOM 0 HG21 ILE A 16 70.171 2.765 -2.442 1.00 0.00 H new ATOM 0 HG22 ILE A 16 69.521 3.151 -4.053 1.00 0.00 H new ATOM 0 HG23 ILE A 16 69.043 1.642 -3.238 1.00 0.00 H new ATOM 0 HD11 ILE A 16 70.906 -1.250 -2.059 1.00 0.00 H new ATOM 0 HD12 ILE A 16 69.635 -0.025 -2.282 1.00 0.00 H new ATOM 0 HD13 ILE A 16 70.176 -1.008 -3.663 1.00 0.00 H new ATOM 208 N LYS A 17 72.534 0.379 -6.743 1.00 0.00 N ATOM 209 CA LYS A 17 73.549 -0.586 -7.285 1.00 0.00 C ATOM 210 C LYS A 17 74.946 -0.179 -6.820 1.00 0.00 C ATOM 211 O LYS A 17 75.246 0.987 -6.656 1.00 0.00 O ATOM 212 CB LYS A 17 73.500 -0.547 -8.813 1.00 0.00 C ATOM 213 CG LYS A 17 72.134 -1.039 -9.293 1.00 0.00 C ATOM 214 CD LYS A 17 72.087 -1.005 -10.822 1.00 0.00 C ATOM 215 CE LYS A 17 70.720 -1.498 -11.303 1.00 0.00 C ATOM 216 NZ LYS A 17 70.578 -1.222 -12.760 1.00 0.00 N ATOM 0 H LYS A 17 72.628 1.335 -7.086 1.00 0.00 H new ATOM 0 HA LYS A 17 73.327 -1.591 -6.926 1.00 0.00 H new ATOM 0 HB2 LYS A 17 73.678 0.468 -9.167 1.00 0.00 H new ATOM 0 HB3 LYS A 17 74.290 -1.172 -9.229 1.00 0.00 H new ATOM 0 HG2 LYS A 17 71.955 -2.053 -8.936 1.00 0.00 H new ATOM 0 HG3 LYS A 17 71.344 -0.411 -8.880 1.00 0.00 H new ATOM 0 HD2 LYS A 17 72.266 0.009 -11.179 1.00 0.00 H new ATOM 0 HD3 LYS A 17 72.877 -1.632 -11.235 1.00 0.00 H new ATOM 0 HE2 LYS A 17 70.619 -2.567 -11.113 1.00 0.00 H new ATOM 0 HE3 LYS A 17 69.925 -0.999 -10.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 69.649 -1.557 -13.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 70.657 -0.199 -12.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 71.329 -1.718 -13.282 1.00 0.00 H new ATOM 230 N GLN A 18 75.807 -1.140 -6.612 1.00 0.00 N ATOM 231 CA GLN A 18 77.190 -0.819 -6.163 1.00 0.00 C ATOM 232 C GLN A 18 78.049 -0.506 -7.387 1.00 0.00 C ATOM 233 O GLN A 18 78.331 -1.370 -8.192 1.00 0.00 O ATOM 234 CB GLN A 18 77.779 -2.033 -5.437 1.00 0.00 C ATOM 235 CG GLN A 18 79.175 -1.695 -4.906 1.00 0.00 C ATOM 236 CD GLN A 18 79.746 -2.912 -4.174 1.00 0.00 C ATOM 237 OE1 GLN A 18 79.552 -3.066 -2.985 1.00 0.00 O ATOM 238 NE2 GLN A 18 80.449 -3.788 -4.839 1.00 0.00 N ATOM 0 H GLN A 18 75.610 -2.133 -6.734 1.00 0.00 H new ATOM 0 HA GLN A 18 77.171 0.039 -5.491 1.00 0.00 H new ATOM 0 HB2 GLN A 18 77.128 -2.326 -4.613 1.00 0.00 H new ATOM 0 HB3 GLN A 18 77.835 -2.883 -6.117 1.00 0.00 H new ATOM 0 HG2 GLN A 18 79.831 -1.411 -5.729 1.00 0.00 H new ATOM 0 HG3 GLN A 18 79.123 -0.841 -4.230 1.00 0.00 H new ATOM 0 HE21 GLN A 18 80.612 -3.659 -5.838 1.00 0.00 H new ATOM 0 HE22 GLN A 18 80.835 -4.602 -4.360 1.00 0.00 H new ATOM 247 N SER A 19 78.482 0.720 -7.525 1.00 0.00 N ATOM 248 CA SER A 19 79.342 1.092 -8.689 1.00 0.00 C ATOM 249 C SER A 19 80.787 1.205 -8.206 1.00 0.00 C ATOM 250 O SER A 19 81.100 1.996 -7.337 1.00 0.00 O ATOM 251 CB SER A 19 78.886 2.442 -9.243 1.00 0.00 C ATOM 252 OG SER A 19 77.506 2.369 -9.578 1.00 0.00 O ATOM 0 H SER A 19 78.277 1.483 -6.880 1.00 0.00 H new ATOM 0 HA SER A 19 79.265 0.336 -9.471 1.00 0.00 H new ATOM 0 HB2 SER A 19 79.052 3.226 -8.504 1.00 0.00 H new ATOM 0 HB3 SER A 19 79.473 2.704 -10.123 1.00 0.00 H new ATOM 0 HG SER A 19 77.209 3.233 -9.932 1.00 0.00 H new ATOM 258 N GLY A 20 81.674 0.421 -8.751 1.00 0.00 N ATOM 259 CA GLY A 20 83.091 0.494 -8.302 1.00 0.00 C ATOM 260 C GLY A 20 83.136 0.370 -6.777 1.00 0.00 C ATOM 261 O GLY A 20 83.053 -0.713 -6.231 1.00 0.00 O ATOM 0 H GLY A 20 81.481 -0.263 -9.483 1.00 0.00 H new ATOM 0 HA2 GLY A 20 83.674 -0.304 -8.762 1.00 0.00 H new ATOM 0 HA3 GLY A 20 83.538 1.437 -8.617 1.00 0.00 H new ATOM 265 N VAL A 21 83.262 1.478 -6.085 1.00 0.00 N ATOM 266 CA VAL A 21 83.310 1.450 -4.587 1.00 0.00 C ATOM 267 C VAL A 21 82.277 2.441 -4.030 1.00 0.00 C ATOM 268 O VAL A 21 82.357 2.862 -2.893 1.00 0.00 O ATOM 269 CB VAL A 21 84.720 1.848 -4.120 1.00 0.00 C ATOM 270 CG1 VAL A 21 84.942 1.380 -2.678 1.00 0.00 C ATOM 271 CG2 VAL A 21 85.759 1.187 -5.030 1.00 0.00 C ATOM 0 H VAL A 21 83.334 2.408 -6.497 1.00 0.00 H new ATOM 0 HA VAL A 21 83.079 0.448 -4.225 1.00 0.00 H new ATOM 0 HB VAL A 21 84.822 2.932 -4.167 1.00 0.00 H new ATOM 0 HG11 VAL A 21 85.943 1.665 -2.353 1.00 0.00 H new ATOM 0 HG12 VAL A 21 84.203 1.846 -2.026 1.00 0.00 H new ATOM 0 HG13 VAL A 21 84.839 0.296 -2.627 1.00 0.00 H new ATOM 0 HG21 VAL A 21 86.760 1.467 -4.702 1.00 0.00 H new ATOM 0 HG22 VAL A 21 85.650 0.104 -4.980 1.00 0.00 H new ATOM 0 HG23 VAL A 21 85.607 1.519 -6.057 1.00 0.00 H new ATOM 281 N GLN A 22 81.302 2.806 -4.825 1.00 0.00 N ATOM 282 CA GLN A 22 80.246 3.768 -4.363 1.00 0.00 C ATOM 283 C GLN A 22 78.847 3.216 -4.650 1.00 0.00 C ATOM 284 O GLN A 22 78.680 2.254 -5.374 1.00 0.00 O ATOM 285 CB GLN A 22 80.422 5.113 -5.069 1.00 0.00 C ATOM 286 CG GLN A 22 81.631 5.830 -4.473 1.00 0.00 C ATOM 287 CD GLN A 22 81.830 7.182 -5.161 1.00 0.00 C ATOM 288 OE1 GLN A 22 81.138 7.467 -6.229 1.00 0.00 O flip ATOM 289 NE2 GLN A 22 82.622 7.989 -4.717 1.00 0.00 N flip ATOM 0 H GLN A 22 81.189 2.477 -5.784 1.00 0.00 H new ATOM 0 HA GLN A 22 80.353 3.905 -3.287 1.00 0.00 H new ATOM 0 HB2 GLN A 22 80.563 4.961 -6.139 1.00 0.00 H new ATOM 0 HB3 GLN A 22 79.526 5.722 -4.949 1.00 0.00 H new ATOM 0 HG2 GLN A 22 81.486 5.975 -3.402 1.00 0.00 H new ATOM 0 HG3 GLN A 22 82.524 5.216 -4.594 1.00 0.00 H new ATOM 0 HE21 GLN A 22 83.163 7.766 -3.882 1.00 0.00 H new ATOM 0 HE22 GLN A 22 82.746 8.890 -5.180 1.00 0.00 H new ATOM 298 N TYR A 23 77.841 3.837 -4.081 1.00 0.00 N ATOM 299 CA TYR A 23 76.424 3.391 -4.293 1.00 0.00 C ATOM 300 C TYR A 23 75.599 4.569 -4.825 1.00 0.00 C ATOM 301 O TYR A 23 75.823 5.704 -4.458 1.00 0.00 O ATOM 302 CB TYR A 23 75.827 2.927 -2.956 1.00 0.00 C ATOM 303 CG TYR A 23 76.280 1.522 -2.641 1.00 0.00 C ATOM 304 CD1 TYR A 23 75.538 0.435 -3.114 1.00 0.00 C ATOM 305 CD2 TYR A 23 77.427 1.303 -1.870 1.00 0.00 C ATOM 306 CE1 TYR A 23 75.941 -0.871 -2.818 1.00 0.00 C ATOM 307 CE2 TYR A 23 77.831 -0.005 -1.571 1.00 0.00 C ATOM 308 CZ TYR A 23 77.087 -1.093 -2.046 1.00 0.00 C ATOM 309 OH TYR A 23 77.486 -2.382 -1.752 1.00 0.00 O ATOM 0 H TYR A 23 77.942 4.647 -3.469 1.00 0.00 H new ATOM 0 HA TYR A 23 76.405 2.569 -5.009 1.00 0.00 H new ATOM 0 HB2 TYR A 23 76.134 3.603 -2.158 1.00 0.00 H new ATOM 0 HB3 TYR A 23 74.739 2.964 -3.003 1.00 0.00 H new ATOM 0 HD1 TYR A 23 74.653 0.604 -3.709 1.00 0.00 H new ATOM 0 HD2 TYR A 23 78.001 2.142 -1.505 1.00 0.00 H new ATOM 0 HE1 TYR A 23 75.367 -1.709 -3.185 1.00 0.00 H new ATOM 0 HE2 TYR A 23 78.715 -0.174 -0.975 1.00 0.00 H new ATOM 0 HH TYR A 23 78.049 -2.724 -2.478 1.00 0.00 H new ATOM 319 N THR A 24 74.642 4.307 -5.687 1.00 0.00 N ATOM 320 CA THR A 24 73.797 5.415 -6.240 1.00 0.00 C ATOM 321 C THR A 24 72.325 4.992 -6.262 1.00 0.00 C ATOM 322 O THR A 24 71.998 3.823 -6.318 1.00 0.00 O ATOM 323 CB THR A 24 74.262 5.755 -7.660 1.00 0.00 C ATOM 324 OG1 THR A 24 74.272 4.575 -8.452 1.00 0.00 O ATOM 325 CG2 THR A 24 75.672 6.351 -7.607 1.00 0.00 C ATOM 0 H THR A 24 74.411 3.375 -6.031 1.00 0.00 H new ATOM 0 HA THR A 24 73.901 6.295 -5.605 1.00 0.00 H new ATOM 0 HB THR A 24 73.579 6.481 -8.102 1.00 0.00 H new ATOM 0 HG1 THR A 24 74.568 4.793 -9.360 1.00 0.00 H new ATOM 0 HG21 THR A 24 76.003 6.593 -8.617 1.00 0.00 H new ATOM 0 HG22 THR A 24 75.661 7.257 -7.002 1.00 0.00 H new ATOM 0 HG23 THR A 24 76.357 5.627 -7.164 1.00 0.00 H new ATOM 333 N TYR A 25 71.436 5.950 -6.198 1.00 0.00 N ATOM 334 CA TYR A 25 69.978 5.637 -6.192 1.00 0.00 C ATOM 335 C TYR A 25 69.475 5.496 -7.630 1.00 0.00 C ATOM 336 O TYR A 25 69.616 6.392 -8.439 1.00 0.00 O ATOM 337 CB TYR A 25 69.235 6.781 -5.496 1.00 0.00 C ATOM 338 CG TYR A 25 67.796 6.399 -5.247 1.00 0.00 C ATOM 339 CD1 TYR A 25 66.831 6.630 -6.229 1.00 0.00 C ATOM 340 CD2 TYR A 25 67.424 5.827 -4.023 1.00 0.00 C ATOM 341 CE1 TYR A 25 65.493 6.290 -5.992 1.00 0.00 C ATOM 342 CE2 TYR A 25 66.087 5.490 -3.783 1.00 0.00 C ATOM 343 CZ TYR A 25 65.122 5.721 -4.768 1.00 0.00 C ATOM 344 OH TYR A 25 63.802 5.392 -4.531 1.00 0.00 O ATOM 0 H TYR A 25 71.661 6.944 -6.149 1.00 0.00 H new ATOM 0 HA TYR A 25 69.801 4.701 -5.662 1.00 0.00 H new ATOM 0 HB2 TYR A 25 69.724 7.019 -4.551 1.00 0.00 H new ATOM 0 HB3 TYR A 25 69.278 7.679 -6.112 1.00 0.00 H new ATOM 0 HD1 TYR A 25 67.116 7.071 -7.172 1.00 0.00 H new ATOM 0 HD2 TYR A 25 68.170 5.646 -3.264 1.00 0.00 H new ATOM 0 HE1 TYR A 25 64.748 6.467 -6.753 1.00 0.00 H new ATOM 0 HE2 TYR A 25 65.801 5.052 -2.838 1.00 0.00 H new ATOM 0 HH TYR A 25 63.717 5.007 -3.634 1.00 0.00 H new ATOM 354 N ASN A 26 68.894 4.370 -7.957 1.00 0.00 N ATOM 355 CA ASN A 26 68.387 4.157 -9.343 1.00 0.00 C ATOM 356 C ASN A 26 66.944 4.663 -9.461 1.00 0.00 C ATOM 357 O ASN A 26 66.006 3.902 -9.358 1.00 0.00 O ATOM 358 CB ASN A 26 68.420 2.658 -9.665 1.00 0.00 C ATOM 359 CG ASN A 26 68.161 2.448 -11.158 1.00 0.00 C ATOM 360 OD1 ASN A 26 67.964 3.398 -11.890 1.00 0.00 O ATOM 361 ND2 ASN A 26 68.152 1.235 -11.644 1.00 0.00 N ATOM 0 H ASN A 26 68.749 3.587 -7.320 1.00 0.00 H new ATOM 0 HA ASN A 26 69.017 4.706 -10.042 1.00 0.00 H new ATOM 0 HB2 ASN A 26 69.388 2.238 -9.391 1.00 0.00 H new ATOM 0 HB3 ASN A 26 67.667 2.133 -9.078 1.00 0.00 H new ATOM 0 HD21 ASN A 26 67.980 1.085 -12.638 1.00 0.00 H new ATOM 0 HD22 ASN A 26 68.317 0.438 -11.029 1.00 0.00 H new ATOM 368 N SER A 27 66.756 5.935 -9.690 1.00 0.00 N ATOM 369 CA SER A 27 65.365 6.464 -9.832 1.00 0.00 C ATOM 370 C SER A 27 64.859 6.161 -11.243 1.00 0.00 C ATOM 371 O SER A 27 63.720 6.423 -11.577 1.00 0.00 O ATOM 372 CB SER A 27 65.347 7.978 -9.605 1.00 0.00 C ATOM 373 OG SER A 27 66.206 8.607 -10.546 1.00 0.00 O ATOM 0 H SER A 27 67.499 6.628 -9.785 1.00 0.00 H new ATOM 0 HA SER A 27 64.724 5.987 -9.091 1.00 0.00 H new ATOM 0 HB2 SER A 27 64.332 8.361 -9.711 1.00 0.00 H new ATOM 0 HB3 SER A 27 65.671 8.208 -8.590 1.00 0.00 H new ATOM 0 HG SER A 27 66.194 9.576 -10.403 1.00 0.00 H new ATOM 379 N GLY A 28 65.704 5.617 -12.078 1.00 0.00 N ATOM 380 CA GLY A 28 65.288 5.303 -13.475 1.00 0.00 C ATOM 381 C GLY A 28 64.112 4.324 -13.460 1.00 0.00 C ATOM 382 O GLY A 28 63.187 4.447 -14.239 1.00 0.00 O ATOM 0 H GLY A 28 66.669 5.376 -11.851 1.00 0.00 H new ATOM 0 HA2 GLY A 28 65.004 6.219 -13.994 1.00 0.00 H new ATOM 0 HA3 GLY A 28 66.125 4.872 -14.025 1.00 0.00 H new ATOM 386 N VAL A 29 64.131 3.355 -12.587 1.00 0.00 N ATOM 387 CA VAL A 29 62.998 2.387 -12.543 1.00 0.00 C ATOM 388 C VAL A 29 61.778 3.081 -11.935 1.00 0.00 C ATOM 389 O VAL A 29 61.888 3.853 -11.003 1.00 0.00 O ATOM 390 CB VAL A 29 63.378 1.165 -11.702 1.00 0.00 C ATOM 391 CG1 VAL A 29 64.512 0.403 -12.389 1.00 0.00 C ATOM 392 CG2 VAL A 29 63.834 1.613 -10.313 1.00 0.00 C ATOM 0 H VAL A 29 64.874 3.192 -11.908 1.00 0.00 H new ATOM 0 HA VAL A 29 62.766 2.051 -13.554 1.00 0.00 H new ATOM 0 HB VAL A 29 62.509 0.514 -11.603 1.00 0.00 H new ATOM 0 HG11 VAL A 29 64.782 -0.466 -11.789 1.00 0.00 H new ATOM 0 HG12 VAL A 29 64.185 0.076 -13.376 1.00 0.00 H new ATOM 0 HG13 VAL A 29 65.379 1.056 -12.492 1.00 0.00 H new ATOM 0 HG21 VAL A 29 64.103 0.740 -9.719 1.00 0.00 H new ATOM 0 HG22 VAL A 29 64.700 2.268 -10.408 1.00 0.00 H new ATOM 0 HG23 VAL A 29 63.024 2.151 -9.820 1.00 0.00 H new ATOM 402 N SER A 30 60.617 2.824 -12.471 1.00 0.00 N ATOM 403 CA SER A 30 59.385 3.480 -11.947 1.00 0.00 C ATOM 404 C SER A 30 59.048 2.954 -10.548 1.00 0.00 C ATOM 405 O SER A 30 58.394 3.618 -9.769 1.00 0.00 O ATOM 406 CB SER A 30 58.221 3.187 -12.894 1.00 0.00 C ATOM 407 OG SER A 30 58.090 1.781 -13.060 1.00 0.00 O ATOM 0 H SER A 30 60.468 2.186 -13.252 1.00 0.00 H new ATOM 0 HA SER A 30 59.556 4.555 -11.883 1.00 0.00 H new ATOM 0 HB2 SER A 30 57.297 3.605 -12.493 1.00 0.00 H new ATOM 0 HB3 SER A 30 58.394 3.664 -13.859 1.00 0.00 H new ATOM 0 HG SER A 30 57.343 1.591 -13.665 1.00 0.00 H new ATOM 413 N VAL A 31 59.468 1.763 -10.227 1.00 0.00 N ATOM 414 CA VAL A 31 59.144 1.203 -8.883 1.00 0.00 C ATOM 415 C VAL A 31 59.724 2.103 -7.783 1.00 0.00 C ATOM 416 O VAL A 31 59.079 2.367 -6.789 1.00 0.00 O ATOM 417 CB VAL A 31 59.744 -0.204 -8.764 1.00 0.00 C ATOM 418 CG1 VAL A 31 59.637 -0.700 -7.315 1.00 0.00 C ATOM 419 CG2 VAL A 31 58.988 -1.161 -9.689 1.00 0.00 C ATOM 0 H VAL A 31 60.019 1.154 -10.832 1.00 0.00 H new ATOM 0 HA VAL A 31 58.061 1.154 -8.766 1.00 0.00 H new ATOM 0 HB VAL A 31 60.795 -0.170 -9.052 1.00 0.00 H new ATOM 0 HG11 VAL A 31 60.065 -1.699 -7.240 1.00 0.00 H new ATOM 0 HG12 VAL A 31 60.181 -0.022 -6.657 1.00 0.00 H new ATOM 0 HG13 VAL A 31 58.589 -0.731 -7.018 1.00 0.00 H new ATOM 0 HG21 VAL A 31 59.414 -2.161 -9.605 1.00 0.00 H new ATOM 0 HG22 VAL A 31 57.937 -1.189 -9.403 1.00 0.00 H new ATOM 0 HG23 VAL A 31 59.074 -0.815 -10.719 1.00 0.00 H new ATOM 429 N CYS A 32 60.934 2.563 -7.942 1.00 0.00 N ATOM 430 CA CYS A 32 61.541 3.429 -6.886 1.00 0.00 C ATOM 431 C CYS A 32 60.713 4.707 -6.699 1.00 0.00 C ATOM 432 O CYS A 32 60.510 5.171 -5.589 1.00 0.00 O ATOM 433 CB CYS A 32 62.966 3.803 -7.301 1.00 0.00 C ATOM 434 SG CYS A 32 64.050 2.366 -7.120 1.00 0.00 S ATOM 0 H CYS A 32 61.528 2.380 -8.751 1.00 0.00 H new ATOM 0 HA CYS A 32 61.557 2.881 -5.944 1.00 0.00 H new ATOM 0 HB2 CYS A 32 62.975 4.150 -8.334 1.00 0.00 H new ATOM 0 HB3 CYS A 32 63.330 4.626 -6.686 1.00 0.00 H new ATOM 0 HG CYS A 32 64.428 2.261 -5.881 1.00 0.00 H new ATOM 439 N MET A 33 60.231 5.285 -7.767 1.00 0.00 N ATOM 440 CA MET A 33 59.426 6.536 -7.634 1.00 0.00 C ATOM 441 C MET A 33 57.986 6.194 -7.235 1.00 0.00 C ATOM 442 O MET A 33 57.234 7.049 -6.812 1.00 0.00 O ATOM 443 CB MET A 33 59.435 7.298 -8.968 1.00 0.00 C ATOM 444 CG MET A 33 60.720 8.126 -9.087 1.00 0.00 C ATOM 445 SD MET A 33 60.563 9.612 -8.053 1.00 0.00 S ATOM 446 CE MET A 33 62.203 9.584 -7.278 1.00 0.00 C ATOM 0 H MET A 33 60.358 4.948 -8.721 1.00 0.00 H new ATOM 0 HA MET A 33 59.865 7.164 -6.859 1.00 0.00 H new ATOM 0 HB2 MET A 33 59.366 6.596 -9.799 1.00 0.00 H new ATOM 0 HB3 MET A 33 58.564 7.951 -9.030 1.00 0.00 H new ATOM 0 HG2 MET A 33 61.579 7.535 -8.770 1.00 0.00 H new ATOM 0 HG3 MET A 33 60.892 8.407 -10.126 1.00 0.00 H new ATOM 0 HE1 MET A 33 62.221 10.280 -6.439 1.00 0.00 H new ATOM 0 HE2 MET A 33 62.419 8.578 -6.919 1.00 0.00 H new ATOM 0 HE3 MET A 33 62.956 9.877 -8.009 1.00 0.00 H new ATOM 456 N GLN A 34 57.598 4.957 -7.353 1.00 0.00 N ATOM 457 CA GLN A 34 56.212 4.586 -6.958 1.00 0.00 C ATOM 458 C GLN A 34 56.022 4.890 -5.470 1.00 0.00 C ATOM 459 O GLN A 34 55.004 5.402 -5.050 1.00 0.00 O ATOM 460 CB GLN A 34 55.990 3.093 -7.216 1.00 0.00 C ATOM 461 CG GLN A 34 54.566 2.705 -6.815 1.00 0.00 C ATOM 462 CD GLN A 34 54.294 1.259 -7.233 1.00 0.00 C ATOM 463 OE1 GLN A 34 55.075 0.666 -7.951 1.00 0.00 O ATOM 464 NE2 GLN A 34 53.208 0.667 -6.821 1.00 0.00 N ATOM 0 H GLN A 34 58.175 4.192 -7.703 1.00 0.00 H new ATOM 0 HA GLN A 34 55.492 5.159 -7.543 1.00 0.00 H new ATOM 0 HB2 GLN A 34 56.155 2.868 -8.270 1.00 0.00 H new ATOM 0 HB3 GLN A 34 56.711 2.505 -6.648 1.00 0.00 H new ATOM 0 HG2 GLN A 34 54.438 2.814 -5.738 1.00 0.00 H new ATOM 0 HG3 GLN A 34 53.848 3.373 -7.290 1.00 0.00 H new ATOM 0 HE21 GLN A 34 52.553 1.165 -6.218 1.00 0.00 H new ATOM 0 HE22 GLN A 34 53.013 -0.294 -7.101 1.00 0.00 H new ATOM 473 N GLY A 35 57.003 4.565 -4.671 1.00 0.00 N ATOM 474 CA GLY A 35 56.898 4.817 -3.206 1.00 0.00 C ATOM 475 C GLY A 35 57.135 6.299 -2.899 1.00 0.00 C ATOM 476 O GLY A 35 56.391 6.914 -2.161 1.00 0.00 O ATOM 0 H GLY A 35 57.877 4.134 -4.973 1.00 0.00 H new ATOM 0 HA2 GLY A 35 55.912 4.519 -2.849 1.00 0.00 H new ATOM 0 HA3 GLY A 35 57.628 4.208 -2.673 1.00 0.00 H new ATOM 480 N LEU A 36 58.166 6.879 -3.453 1.00 0.00 N ATOM 481 CA LEU A 36 58.441 8.322 -3.177 1.00 0.00 C ATOM 482 C LEU A 36 57.268 9.184 -3.657 1.00 0.00 C ATOM 483 O LEU A 36 56.855 10.111 -2.988 1.00 0.00 O ATOM 484 CB LEU A 36 59.722 8.737 -3.904 1.00 0.00 C ATOM 485 CG LEU A 36 60.957 8.158 -3.173 1.00 0.00 C ATOM 486 CD1 LEU A 36 62.095 7.929 -4.167 1.00 0.00 C ATOM 487 CD2 LEU A 36 61.438 9.149 -2.111 1.00 0.00 C ATOM 0 H LEU A 36 58.827 6.421 -4.081 1.00 0.00 H new ATOM 0 HA LEU A 36 58.565 8.467 -2.104 1.00 0.00 H new ATOM 0 HB2 LEU A 36 59.698 8.379 -4.933 1.00 0.00 H new ATOM 0 HB3 LEU A 36 59.790 9.824 -3.946 1.00 0.00 H new ATOM 0 HG LEU A 36 60.674 7.213 -2.709 1.00 0.00 H new ATOM 0 HD11 LEU A 36 62.959 7.521 -3.643 1.00 0.00 H new ATOM 0 HD12 LEU A 36 61.772 7.226 -4.935 1.00 0.00 H new ATOM 0 HD13 LEU A 36 62.367 8.876 -4.633 1.00 0.00 H new ATOM 0 HD21 LEU A 36 62.308 8.739 -1.598 1.00 0.00 H new ATOM 0 HD22 LEU A 36 61.709 10.091 -2.588 1.00 0.00 H new ATOM 0 HD23 LEU A 36 60.640 9.325 -1.389 1.00 0.00 H new ATOM 499 N ASN A 37 56.725 8.885 -4.803 1.00 0.00 N ATOM 500 CA ASN A 37 55.575 9.686 -5.316 1.00 0.00 C ATOM 501 C ASN A 37 54.371 9.491 -4.394 1.00 0.00 C ATOM 502 O ASN A 37 53.636 10.414 -4.108 1.00 0.00 O ATOM 503 CB ASN A 37 55.217 9.225 -6.730 1.00 0.00 C ATOM 504 CG ASN A 37 56.319 9.644 -7.706 1.00 0.00 C ATOM 505 OD1 ASN A 37 57.298 10.399 -7.286 1.00 0.00 O flip ATOM 506 ND2 ASN A 37 56.291 9.274 -8.864 1.00 0.00 N flip ATOM 0 H ASN A 37 57.026 8.121 -5.408 1.00 0.00 H new ATOM 0 HA ASN A 37 55.849 10.741 -5.340 1.00 0.00 H new ATOM 0 HB2 ASN A 37 55.094 8.142 -6.749 1.00 0.00 H new ATOM 0 HB3 ASN A 37 54.265 9.660 -7.034 1.00 0.00 H new ATOM 0 HD21 ASN A 37 55.526 8.684 -9.193 1.00 0.00 H new ATOM 0 HD22 ASN A 37 57.032 9.553 -9.507 1.00 0.00 H new ATOM 513 N GLU A 38 54.163 8.290 -3.933 1.00 0.00 N ATOM 514 CA GLU A 38 53.005 8.023 -3.037 1.00 0.00 C ATOM 515 C GLU A 38 53.210 8.752 -1.706 1.00 0.00 C ATOM 516 O GLU A 38 52.265 9.141 -1.049 1.00 0.00 O ATOM 517 CB GLU A 38 52.882 6.517 -2.795 1.00 0.00 C ATOM 518 CG GLU A 38 51.566 6.222 -2.073 1.00 0.00 C ATOM 519 CD GLU A 38 51.337 4.710 -2.021 1.00 0.00 C ATOM 520 OE1 GLU A 38 52.079 3.994 -2.674 1.00 0.00 O ATOM 521 OE2 GLU A 38 50.422 4.294 -1.329 1.00 0.00 O ATOM 0 H GLU A 38 54.747 7.480 -4.139 1.00 0.00 H new ATOM 0 HA GLU A 38 52.090 8.385 -3.505 1.00 0.00 H new ATOM 0 HB2 GLU A 38 52.917 5.981 -3.744 1.00 0.00 H new ATOM 0 HB3 GLU A 38 53.723 6.164 -2.199 1.00 0.00 H new ATOM 0 HG2 GLU A 38 51.594 6.631 -1.063 1.00 0.00 H new ATOM 0 HG3 GLU A 38 50.739 6.708 -2.590 1.00 0.00 H new ATOM 528 N GLY A 39 54.438 8.942 -1.301 1.00 0.00 N ATOM 529 CA GLY A 39 54.701 9.649 -0.011 1.00 0.00 C ATOM 530 C GLY A 39 54.615 8.653 1.147 1.00 0.00 C ATOM 531 O GLY A 39 54.409 9.026 2.286 1.00 0.00 O ATOM 0 H GLY A 39 55.270 8.639 -1.807 1.00 0.00 H new ATOM 0 HA2 GLY A 39 55.687 10.112 -0.033 1.00 0.00 H new ATOM 0 HA3 GLY A 39 53.976 10.450 0.131 1.00 0.00 H new ATOM 535 N LYS A 40 54.790 7.388 0.861 1.00 0.00 N ATOM 536 CA LYS A 40 54.742 6.341 1.926 1.00 0.00 C ATOM 537 C LYS A 40 56.168 5.855 2.150 1.00 0.00 C ATOM 538 O LYS A 40 56.447 5.033 2.997 1.00 0.00 O ATOM 539 CB LYS A 40 53.863 5.179 1.445 1.00 0.00 C ATOM 540 CG LYS A 40 53.602 4.207 2.601 1.00 0.00 C ATOM 541 CD LYS A 40 52.563 3.153 2.179 1.00 0.00 C ATOM 542 CE LYS A 40 51.160 3.773 2.104 1.00 0.00 C ATOM 543 NZ LYS A 40 50.137 2.694 2.224 1.00 0.00 N ATOM 0 H LYS A 40 54.967 7.032 -0.078 1.00 0.00 H new ATOM 0 HA LYS A 40 54.325 6.737 2.852 1.00 0.00 H new ATOM 0 HB2 LYS A 40 52.918 5.562 1.060 1.00 0.00 H new ATOM 0 HB3 LYS A 40 54.353 4.657 0.623 1.00 0.00 H new ATOM 0 HG2 LYS A 40 54.531 3.717 2.892 1.00 0.00 H new ATOM 0 HG3 LYS A 40 53.244 4.754 3.473 1.00 0.00 H new ATOM 0 HD2 LYS A 40 52.834 2.736 1.209 1.00 0.00 H new ATOM 0 HD3 LYS A 40 52.564 2.328 2.892 1.00 0.00 H new ATOM 0 HE2 LYS A 40 51.030 4.504 2.902 1.00 0.00 H new ATOM 0 HE3 LYS A 40 51.035 4.305 1.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 49.185 3.111 2.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 50.258 2.013 1.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 50.253 2.205 3.135 1.00 0.00 H new ATOM 557 N VAL A 41 57.071 6.368 1.361 1.00 0.00 N ATOM 558 CA VAL A 41 58.504 5.969 1.457 1.00 0.00 C ATOM 559 C VAL A 41 59.379 7.220 1.433 1.00 0.00 C ATOM 560 O VAL A 41 58.970 8.271 0.981 1.00 0.00 O ATOM 561 CB VAL A 41 58.846 5.094 0.252 1.00 0.00 C ATOM 562 CG1 VAL A 41 60.318 4.708 0.261 1.00 0.00 C ATOM 563 CG2 VAL A 41 57.975 3.829 0.277 1.00 0.00 C ATOM 0 H VAL A 41 56.872 7.061 0.639 1.00 0.00 H new ATOM 0 HA VAL A 41 58.679 5.421 2.383 1.00 0.00 H new ATOM 0 HB VAL A 41 58.648 5.660 -0.658 1.00 0.00 H new ATOM 0 HG11 VAL A 41 60.536 4.085 -0.607 1.00 0.00 H new ATOM 0 HG12 VAL A 41 60.931 5.609 0.225 1.00 0.00 H new ATOM 0 HG13 VAL A 41 60.543 4.153 1.172 1.00 0.00 H new ATOM 0 HG21 VAL A 41 58.217 3.203 -0.582 1.00 0.00 H new ATOM 0 HG22 VAL A 41 58.166 3.274 1.196 1.00 0.00 H new ATOM 0 HG23 VAL A 41 56.923 4.111 0.235 1.00 0.00 H new ATOM 573 N ARG A 42 60.590 7.097 1.896 1.00 0.00 N ATOM 574 CA ARG A 42 61.545 8.253 1.892 1.00 0.00 C ATOM 575 C ARG A 42 62.776 7.849 1.091 1.00 0.00 C ATOM 576 O ARG A 42 63.650 8.649 0.820 1.00 0.00 O ATOM 577 CB ARG A 42 61.985 8.598 3.317 1.00 0.00 C ATOM 578 CG ARG A 42 60.802 9.137 4.120 1.00 0.00 C ATOM 579 CD ARG A 42 61.310 9.713 5.443 1.00 0.00 C ATOM 580 NE ARG A 42 60.182 10.363 6.175 1.00 0.00 N ATOM 581 CZ ARG A 42 59.404 9.661 6.955 1.00 0.00 C ATOM 582 NH1 ARG A 42 59.605 8.381 7.101 1.00 0.00 N ATOM 583 NH2 ARG A 42 58.425 10.243 7.592 1.00 0.00 N ATOM 0 H ARG A 42 60.970 6.234 2.284 1.00 0.00 H new ATOM 0 HA ARG A 42 61.053 9.122 1.455 1.00 0.00 H new ATOM 0 HB2 ARG A 42 62.391 7.712 3.804 1.00 0.00 H new ATOM 0 HB3 ARG A 42 62.783 9.340 3.289 1.00 0.00 H new ATOM 0 HG2 ARG A 42 60.282 9.907 3.551 1.00 0.00 H new ATOM 0 HG3 ARG A 42 60.083 8.340 4.309 1.00 0.00 H new ATOM 0 HD2 ARG A 42 61.744 8.921 6.053 1.00 0.00 H new ATOM 0 HD3 ARG A 42 62.101 10.439 5.255 1.00 0.00 H new ATOM 0 HE ARG A 42 60.018 11.364 6.065 1.00 0.00 H new ATOM 0 HH11 ARG A 42 60.371 7.925 6.606 1.00 0.00 H new ATOM 0 HH12 ARG A 42 58.996 7.835 7.711 1.00 0.00 H new ATOM 0 HH21 ARG A 42 58.268 11.245 7.480 1.00 0.00 H new ATOM 0 HH22 ARG A 42 57.817 9.696 8.201 1.00 0.00 H new ATOM 597 N GLY A 43 62.853 6.598 0.723 1.00 0.00 N ATOM 598 CA GLY A 43 64.036 6.103 -0.053 1.00 0.00 C ATOM 599 C GLY A 43 64.409 4.710 0.464 1.00 0.00 C ATOM 600 O GLY A 43 63.565 3.996 0.963 1.00 0.00 O ATOM 0 H GLY A 43 62.146 5.892 0.926 1.00 0.00 H new ATOM 0 HA2 GLY A 43 63.801 6.062 -1.117 1.00 0.00 H new ATOM 0 HA3 GLY A 43 64.877 6.787 0.061 1.00 0.00 H new ATOM 604 N VAL A 44 65.661 4.309 0.353 1.00 0.00 N ATOM 605 CA VAL A 44 66.073 2.949 0.850 1.00 0.00 C ATOM 606 C VAL A 44 67.255 3.088 1.808 1.00 0.00 C ATOM 607 O VAL A 44 68.237 3.726 1.503 1.00 0.00 O ATOM 608 CB VAL A 44 66.494 2.079 -0.339 1.00 0.00 C ATOM 609 CG1 VAL A 44 67.000 0.720 0.163 1.00 0.00 C ATOM 610 CG2 VAL A 44 65.286 1.863 -1.252 1.00 0.00 C ATOM 0 H VAL A 44 66.412 4.863 -0.059 1.00 0.00 H new ATOM 0 HA VAL A 44 65.233 2.487 1.369 1.00 0.00 H new ATOM 0 HB VAL A 44 67.292 2.578 -0.889 1.00 0.00 H new ATOM 0 HG11 VAL A 44 67.298 0.106 -0.687 1.00 0.00 H new ATOM 0 HG12 VAL A 44 67.857 0.871 0.820 1.00 0.00 H new ATOM 0 HG13 VAL A 44 66.205 0.217 0.713 1.00 0.00 H new ATOM 0 HG21 VAL A 44 65.577 1.245 -2.101 1.00 0.00 H new ATOM 0 HG22 VAL A 44 64.493 1.364 -0.695 1.00 0.00 H new ATOM 0 HG23 VAL A 44 64.925 2.826 -1.612 1.00 0.00 H new ATOM 620 N SER A 45 67.170 2.484 2.961 1.00 0.00 N ATOM 621 CA SER A 45 68.290 2.568 3.941 1.00 0.00 C ATOM 622 C SER A 45 69.336 1.502 3.617 1.00 0.00 C ATOM 623 O SER A 45 69.009 0.370 3.320 1.00 0.00 O ATOM 624 CB SER A 45 67.753 2.331 5.358 1.00 0.00 C ATOM 625 OG SER A 45 68.750 1.691 6.146 1.00 0.00 O ATOM 0 H SER A 45 66.369 1.933 3.268 1.00 0.00 H new ATOM 0 HA SER A 45 68.744 3.557 3.882 1.00 0.00 H new ATOM 0 HB2 SER A 45 67.469 3.280 5.813 1.00 0.00 H new ATOM 0 HB3 SER A 45 66.855 1.715 5.319 1.00 0.00 H new ATOM 0 HG SER A 45 68.406 1.542 7.051 1.00 0.00 H new ATOM 631 N VAL A 46 70.596 1.852 3.690 1.00 0.00 N ATOM 632 CA VAL A 46 71.681 0.861 3.409 1.00 0.00 C ATOM 633 C VAL A 46 72.731 0.949 4.514 1.00 0.00 C ATOM 634 O VAL A 46 73.158 2.020 4.898 1.00 0.00 O ATOM 635 CB VAL A 46 72.334 1.155 2.051 1.00 0.00 C ATOM 636 CG1 VAL A 46 73.149 2.452 2.128 1.00 0.00 C ATOM 637 CG2 VAL A 46 73.261 -0.002 1.675 1.00 0.00 C ATOM 0 H VAL A 46 70.922 2.787 3.934 1.00 0.00 H new ATOM 0 HA VAL A 46 71.254 -0.142 3.379 1.00 0.00 H new ATOM 0 HB VAL A 46 71.555 1.267 1.297 1.00 0.00 H new ATOM 0 HG11 VAL A 46 73.608 2.651 1.160 1.00 0.00 H new ATOM 0 HG12 VAL A 46 72.492 3.279 2.395 1.00 0.00 H new ATOM 0 HG13 VAL A 46 73.927 2.348 2.884 1.00 0.00 H new ATOM 0 HG21 VAL A 46 73.727 0.203 0.711 1.00 0.00 H new ATOM 0 HG22 VAL A 46 74.034 -0.111 2.436 1.00 0.00 H new ATOM 0 HG23 VAL A 46 72.684 -0.924 1.610 1.00 0.00 H new ATOM 647 N SER A 47 73.152 -0.176 5.015 1.00 0.00 N ATOM 648 CA SER A 47 74.189 -0.206 6.092 1.00 0.00 C ATOM 649 C SER A 47 75.364 -1.030 5.584 1.00 0.00 C ATOM 650 O SER A 47 75.187 -1.960 4.823 1.00 0.00 O ATOM 651 CB SER A 47 73.607 -0.864 7.341 1.00 0.00 C ATOM 652 OG SER A 47 73.374 -2.241 7.078 1.00 0.00 O ATOM 0 H SER A 47 72.818 -1.094 4.721 1.00 0.00 H new ATOM 0 HA SER A 47 74.510 0.805 6.343 1.00 0.00 H new ATOM 0 HB2 SER A 47 74.295 -0.753 8.179 1.00 0.00 H new ATOM 0 HB3 SER A 47 72.676 -0.373 7.625 1.00 0.00 H new ATOM 0 HG SER A 47 73.002 -2.668 7.878 1.00 0.00 H new ATOM 658 N GLY A 48 76.563 -0.692 5.977 1.00 0.00 N ATOM 659 CA GLY A 48 77.754 -1.460 5.491 1.00 0.00 C ATOM 660 C GLY A 48 78.717 -1.739 6.642 1.00 0.00 C ATOM 661 O GLY A 48 79.084 -0.856 7.392 1.00 0.00 O ATOM 0 H GLY A 48 76.772 0.079 6.611 1.00 0.00 H new ATOM 0 HA2 GLY A 48 77.430 -2.400 5.044 1.00 0.00 H new ATOM 0 HA3 GLY A 48 78.264 -0.895 4.711 1.00 0.00 H new ATOM 665 N VAL A 49 79.141 -2.971 6.767 1.00 0.00 N ATOM 666 CA VAL A 49 80.104 -3.355 7.845 1.00 0.00 C ATOM 667 C VAL A 49 81.355 -3.933 7.189 1.00 0.00 C ATOM 668 O VAL A 49 81.278 -4.849 6.393 1.00 0.00 O ATOM 669 CB VAL A 49 79.469 -4.420 8.754 1.00 0.00 C ATOM 670 CG1 VAL A 49 80.522 -4.998 9.711 1.00 0.00 C ATOM 671 CG2 VAL A 49 78.358 -3.782 9.586 1.00 0.00 C ATOM 0 H VAL A 49 78.857 -3.739 6.159 1.00 0.00 H new ATOM 0 HA VAL A 49 80.358 -2.481 8.445 1.00 0.00 H new ATOM 0 HB VAL A 49 79.066 -5.216 8.128 1.00 0.00 H new ATOM 0 HG11 VAL A 49 80.059 -5.751 10.349 1.00 0.00 H new ATOM 0 HG12 VAL A 49 81.326 -5.455 9.134 1.00 0.00 H new ATOM 0 HG13 VAL A 49 80.929 -4.198 10.330 1.00 0.00 H new ATOM 0 HG21 VAL A 49 77.907 -4.536 10.231 1.00 0.00 H new ATOM 0 HG22 VAL A 49 78.775 -2.983 10.199 1.00 0.00 H new ATOM 0 HG23 VAL A 49 77.597 -3.370 8.923 1.00 0.00 H new ATOM 681 N PHE A 50 82.508 -3.416 7.527 1.00 0.00 N ATOM 682 CA PHE A 50 83.775 -3.938 6.936 1.00 0.00 C ATOM 683 C PHE A 50 84.485 -4.771 8.008 1.00 0.00 C ATOM 684 O PHE A 50 84.868 -4.271 9.046 1.00 0.00 O ATOM 685 CB PHE A 50 84.640 -2.746 6.501 1.00 0.00 C ATOM 686 CG PHE A 50 83.791 -1.803 5.663 1.00 0.00 C ATOM 687 CD1 PHE A 50 83.135 -2.274 4.514 1.00 0.00 C ATOM 688 CD2 PHE A 50 83.631 -0.461 6.047 1.00 0.00 C ATOM 689 CE1 PHE A 50 82.329 -1.413 3.763 1.00 0.00 C ATOM 690 CE2 PHE A 50 82.831 0.396 5.287 1.00 0.00 C ATOM 691 CZ PHE A 50 82.179 -0.080 4.149 1.00 0.00 C ATOM 0 H PHE A 50 82.626 -2.651 8.191 1.00 0.00 H new ATOM 0 HA PHE A 50 83.584 -4.563 6.064 1.00 0.00 H new ATOM 0 HB2 PHE A 50 85.031 -2.225 7.375 1.00 0.00 H new ATOM 0 HB3 PHE A 50 85.498 -3.093 5.926 1.00 0.00 H new ATOM 0 HD1 PHE A 50 83.253 -3.304 4.210 1.00 0.00 H new ATOM 0 HD2 PHE A 50 84.128 -0.091 6.932 1.00 0.00 H new ATOM 0 HE1 PHE A 50 81.822 -1.780 2.883 1.00 0.00 H new ATOM 0 HE2 PHE A 50 82.717 1.429 5.581 1.00 0.00 H new ATOM 0 HZ PHE A 50 81.558 0.584 3.566 1.00 0.00 H new ATOM 701 N TYR A 51 84.637 -6.048 7.771 1.00 0.00 N ATOM 702 CA TYR A 51 85.290 -6.938 8.781 1.00 0.00 C ATOM 703 C TYR A 51 86.791 -7.043 8.490 1.00 0.00 C ATOM 704 O TYR A 51 87.196 -7.188 7.354 1.00 0.00 O ATOM 705 CB TYR A 51 84.670 -8.336 8.681 1.00 0.00 C ATOM 706 CG TYR A 51 83.220 -8.312 9.126 1.00 0.00 C ATOM 707 CD1 TYR A 51 82.893 -8.532 10.469 1.00 0.00 C ATOM 708 CD2 TYR A 51 82.201 -8.094 8.187 1.00 0.00 C ATOM 709 CE1 TYR A 51 81.551 -8.534 10.873 1.00 0.00 C ATOM 710 CE2 TYR A 51 80.857 -8.093 8.591 1.00 0.00 C ATOM 711 CZ TYR A 51 80.534 -8.314 9.934 1.00 0.00 C ATOM 712 OH TYR A 51 79.214 -8.319 10.333 1.00 0.00 O ATOM 0 H TYR A 51 84.336 -6.517 6.917 1.00 0.00 H new ATOM 0 HA TYR A 51 85.142 -6.524 9.778 1.00 0.00 H new ATOM 0 HB2 TYR A 51 84.735 -8.695 7.654 1.00 0.00 H new ATOM 0 HB3 TYR A 51 85.234 -9.035 9.299 1.00 0.00 H new ATOM 0 HD1 TYR A 51 83.675 -8.700 11.194 1.00 0.00 H new ATOM 0 HD2 TYR A 51 82.451 -7.926 7.150 1.00 0.00 H new ATOM 0 HE1 TYR A 51 81.300 -8.705 11.909 1.00 0.00 H new ATOM 0 HE2 TYR A 51 80.074 -7.922 7.867 1.00 0.00 H new ATOM 0 HH TYR A 51 79.152 -8.014 11.262 1.00 0.00 H new ATOM 722 N TYR A 52 87.621 -6.985 9.512 1.00 0.00 N ATOM 723 CA TYR A 52 89.103 -7.096 9.301 1.00 0.00 C ATOM 724 C TYR A 52 89.645 -8.305 10.072 1.00 0.00 C ATOM 725 O TYR A 52 89.284 -8.542 11.210 1.00 0.00 O ATOM 726 CB TYR A 52 89.797 -5.834 9.823 1.00 0.00 C ATOM 727 CG TYR A 52 89.470 -4.660 8.928 1.00 0.00 C ATOM 728 CD1 TYR A 52 90.083 -4.546 7.674 1.00 0.00 C ATOM 729 CD2 TYR A 52 88.561 -3.682 9.352 1.00 0.00 C ATOM 730 CE1 TYR A 52 89.788 -3.454 6.846 1.00 0.00 C ATOM 731 CE2 TYR A 52 88.265 -2.592 8.523 1.00 0.00 C ATOM 732 CZ TYR A 52 88.879 -2.478 7.271 1.00 0.00 C ATOM 733 OH TYR A 52 88.590 -1.404 6.454 1.00 0.00 O ATOM 0 H TYR A 52 87.333 -6.865 10.483 1.00 0.00 H new ATOM 0 HA TYR A 52 89.299 -7.214 8.235 1.00 0.00 H new ATOM 0 HB2 TYR A 52 89.474 -5.626 10.843 1.00 0.00 H new ATOM 0 HB3 TYR A 52 90.876 -5.988 9.856 1.00 0.00 H new ATOM 0 HD1 TYR A 52 90.783 -5.300 7.345 1.00 0.00 H new ATOM 0 HD2 TYR A 52 88.088 -3.768 10.319 1.00 0.00 H new ATOM 0 HE1 TYR A 52 90.262 -3.366 5.880 1.00 0.00 H new ATOM 0 HE2 TYR A 52 87.563 -1.840 8.850 1.00 0.00 H new ATOM 0 HH TYR A 52 87.623 -1.358 6.304 1.00 0.00 H new ATOM 743 N ASN A 53 90.518 -9.064 9.460 1.00 0.00 N ATOM 744 CA ASN A 53 91.100 -10.252 10.149 1.00 0.00 C ATOM 745 C ASN A 53 91.554 -9.856 11.556 1.00 0.00 C ATOM 746 O ASN A 53 91.706 -10.690 12.428 1.00 0.00 O ATOM 747 CB ASN A 53 92.311 -10.748 9.357 1.00 0.00 C ATOM 748 CG ASN A 53 92.757 -12.107 9.900 1.00 0.00 C ATOM 749 OD1 ASN A 53 93.563 -12.176 10.805 1.00 0.00 O ATOM 750 ND2 ASN A 53 92.270 -13.197 9.375 1.00 0.00 N ATOM 0 H ASN A 53 90.853 -8.910 8.509 1.00 0.00 H new ATOM 0 HA ASN A 53 90.348 -11.039 10.214 1.00 0.00 H new ATOM 0 HB2 ASN A 53 92.057 -10.833 8.300 1.00 0.00 H new ATOM 0 HB3 ASN A 53 93.127 -10.029 9.432 1.00 0.00 H new ATOM 0 HD21 ASN A 53 92.566 -14.108 9.725 1.00 0.00 H new ATOM 0 HD22 ASN A 53 91.593 -13.138 8.615 1.00 0.00 H new ATOM 757 N ASP A 54 91.780 -8.591 11.782 1.00 0.00 N ATOM 758 CA ASP A 54 92.233 -8.141 13.130 1.00 0.00 C ATOM 759 C ASP A 54 91.094 -8.329 14.132 1.00 0.00 C ATOM 760 O ASP A 54 91.228 -8.032 15.303 1.00 0.00 O ATOM 761 CB ASP A 54 92.618 -6.659 13.069 1.00 0.00 C ATOM 762 CG ASP A 54 93.385 -6.273 14.335 1.00 0.00 C ATOM 763 OD1 ASP A 54 92.770 -6.240 15.389 1.00 0.00 O ATOM 764 OD2 ASP A 54 94.572 -6.016 14.229 1.00 0.00 O ATOM 0 H ASP A 54 91.671 -7.848 11.091 1.00 0.00 H new ATOM 0 HA ASP A 54 93.097 -8.728 13.442 1.00 0.00 H new ATOM 0 HB2 ASP A 54 93.231 -6.469 12.188 1.00 0.00 H new ATOM 0 HB3 ASP A 54 91.723 -6.044 12.973 1.00 0.00 H new ATOM 769 N GLY A 55 89.982 -8.840 13.683 1.00 0.00 N ATOM 770 CA GLY A 55 88.838 -9.070 14.607 1.00 0.00 C ATOM 771 C GLY A 55 88.149 -7.744 14.932 1.00 0.00 C ATOM 772 O GLY A 55 87.403 -7.649 15.888 1.00 0.00 O ATOM 0 H GLY A 55 89.816 -9.109 12.713 1.00 0.00 H new ATOM 0 HA2 GLY A 55 88.125 -9.757 14.151 1.00 0.00 H new ATOM 0 HA3 GLY A 55 89.191 -9.540 15.525 1.00 0.00 H new ATOM 776 N THR A 56 88.377 -6.726 14.139 1.00 0.00 N ATOM 777 CA THR A 56 87.722 -5.399 14.390 1.00 0.00 C ATOM 778 C THR A 56 86.719 -5.127 13.282 1.00 0.00 C ATOM 779 O THR A 56 86.838 -5.636 12.191 1.00 0.00 O ATOM 780 CB THR A 56 88.776 -4.285 14.409 1.00 0.00 C ATOM 781 OG1 THR A 56 89.689 -4.479 13.341 1.00 0.00 O ATOM 782 CG2 THR A 56 89.521 -4.311 15.742 1.00 0.00 C ATOM 0 H THR A 56 88.991 -6.755 13.325 1.00 0.00 H new ATOM 0 HA THR A 56 87.216 -5.422 15.355 1.00 0.00 H new ATOM 0 HB THR A 56 88.288 -3.318 14.291 1.00 0.00 H new ATOM 0 HG1 THR A 56 90.362 -3.766 13.352 1.00 0.00 H new ATOM 0 HG21 THR A 56 90.270 -3.519 15.756 1.00 0.00 H new ATOM 0 HG22 THR A 56 88.814 -4.156 16.557 1.00 0.00 H new ATOM 0 HG23 THR A 56 90.011 -5.277 15.866 1.00 0.00 H new ATOM 790 N THR A 57 85.718 -4.333 13.557 1.00 0.00 N ATOM 791 CA THR A 57 84.694 -4.038 12.511 1.00 0.00 C ATOM 792 C THR A 57 84.279 -2.574 12.568 1.00 0.00 C ATOM 793 O THR A 57 84.220 -1.965 13.618 1.00 0.00 O ATOM 794 CB THR A 57 83.460 -4.909 12.753 1.00 0.00 C ATOM 795 OG1 THR A 57 82.808 -4.475 13.939 1.00 0.00 O ATOM 796 CG2 THR A 57 83.885 -6.368 12.913 1.00 0.00 C ATOM 0 H THR A 57 85.565 -3.877 14.457 1.00 0.00 H new ATOM 0 HA THR A 57 85.124 -4.250 11.532 1.00 0.00 H new ATOM 0 HB THR A 57 82.780 -4.822 11.905 1.00 0.00 H new ATOM 0 HG1 THR A 57 82.015 -5.029 14.098 1.00 0.00 H new ATOM 0 HG21 THR A 57 83.004 -6.987 13.085 1.00 0.00 H new ATOM 0 HG22 THR A 57 84.391 -6.701 12.007 1.00 0.00 H new ATOM 0 HG23 THR A 57 84.564 -6.458 13.761 1.00 0.00 H new ATOM 804 N SER A 58 83.948 -2.028 11.431 1.00 0.00 N ATOM 805 CA SER A 58 83.475 -0.619 11.350 1.00 0.00 C ATOM 806 C SER A 58 82.053 -0.683 10.813 1.00 0.00 C ATOM 807 O SER A 58 81.732 -1.567 10.049 1.00 0.00 O ATOM 808 CB SER A 58 84.360 0.177 10.387 1.00 0.00 C ATOM 809 OG SER A 58 85.646 0.353 10.970 1.00 0.00 O ATOM 0 H SER A 58 83.987 -2.512 10.534 1.00 0.00 H new ATOM 0 HA SER A 58 83.516 -0.128 12.322 1.00 0.00 H new ATOM 0 HB2 SER A 58 84.448 -0.348 9.436 1.00 0.00 H new ATOM 0 HB3 SER A 58 83.908 1.146 10.175 1.00 0.00 H new ATOM 0 HG SER A 58 85.970 1.258 10.781 1.00 0.00 H new ATOM 815 N ASN A 59 81.187 0.214 11.206 1.00 0.00 N ATOM 816 CA ASN A 59 79.780 0.154 10.702 1.00 0.00 C ATOM 817 C ASN A 59 79.280 1.562 10.406 1.00 0.00 C ATOM 818 O ASN A 59 79.135 2.378 11.296 1.00 0.00 O ATOM 819 CB ASN A 59 78.893 -0.480 11.777 1.00 0.00 C ATOM 820 CG ASN A 59 79.029 0.310 13.080 1.00 0.00 C ATOM 821 OD1 ASN A 59 78.340 1.289 13.285 1.00 0.00 O ATOM 822 ND2 ASN A 59 79.896 -0.077 13.976 1.00 0.00 N ATOM 0 H ASN A 59 81.389 0.980 11.849 1.00 0.00 H new ATOM 0 HA ASN A 59 79.744 -0.441 9.789 1.00 0.00 H new ATOM 0 HB2 ASN A 59 77.853 -0.486 11.449 1.00 0.00 H new ATOM 0 HB3 ASN A 59 79.183 -1.519 11.937 1.00 0.00 H new ATOM 0 HD21 ASN A 59 79.995 0.443 14.848 1.00 0.00 H new ATOM 0 HD22 ASN A 59 80.475 -0.899 13.804 1.00 0.00 H new ATOM 829 N PHE A 60 78.986 1.840 9.160 1.00 0.00 N ATOM 830 CA PHE A 60 78.457 3.182 8.775 1.00 0.00 C ATOM 831 C PHE A 60 77.043 2.993 8.240 1.00 0.00 C ATOM 832 O PHE A 60 76.821 2.258 7.297 1.00 0.00 O ATOM 833 CB PHE A 60 79.344 3.808 7.695 1.00 0.00 C ATOM 834 CG PHE A 60 80.678 4.199 8.294 1.00 0.00 C ATOM 835 CD1 PHE A 60 80.821 5.437 8.930 1.00 0.00 C ATOM 836 CD2 PHE A 60 81.769 3.327 8.208 1.00 0.00 C ATOM 837 CE1 PHE A 60 82.055 5.802 9.484 1.00 0.00 C ATOM 838 CE2 PHE A 60 83.003 3.692 8.762 1.00 0.00 C ATOM 839 CZ PHE A 60 83.146 4.930 9.400 1.00 0.00 C ATOM 0 H PHE A 60 79.092 1.185 8.385 1.00 0.00 H new ATOM 0 HA PHE A 60 78.451 3.846 9.639 1.00 0.00 H new ATOM 0 HB2 PHE A 60 79.494 3.101 6.879 1.00 0.00 H new ATOM 0 HB3 PHE A 60 78.854 4.684 7.271 1.00 0.00 H new ATOM 0 HD1 PHE A 60 79.980 6.111 8.994 1.00 0.00 H new ATOM 0 HD2 PHE A 60 81.660 2.373 7.715 1.00 0.00 H new ATOM 0 HE1 PHE A 60 82.164 6.757 9.976 1.00 0.00 H new ATOM 0 HE2 PHE A 60 83.844 3.018 8.697 1.00 0.00 H new ATOM 0 HZ PHE A 60 84.097 5.212 9.827 1.00 0.00 H new ATOM 849 N LYS A 61 76.085 3.649 8.835 1.00 0.00 N ATOM 850 CA LYS A 61 74.677 3.526 8.384 1.00 0.00 C ATOM 851 C LYS A 61 74.260 4.862 7.794 1.00 0.00 C ATOM 852 O LYS A 61 74.684 5.912 8.232 1.00 0.00 O ATOM 853 CB LYS A 61 73.785 3.184 9.578 1.00 0.00 C ATOM 854 CG LYS A 61 72.342 3.018 9.104 1.00 0.00 C ATOM 855 CD LYS A 61 71.488 2.503 10.260 1.00 0.00 C ATOM 856 CE LYS A 61 70.013 2.562 9.871 1.00 0.00 C ATOM 857 NZ LYS A 61 69.179 2.242 11.061 1.00 0.00 N ATOM 0 H LYS A 61 76.225 4.275 9.628 1.00 0.00 H new ATOM 0 HA LYS A 61 74.580 2.736 7.639 1.00 0.00 H new ATOM 0 HB2 LYS A 61 74.131 2.266 10.053 1.00 0.00 H new ATOM 0 HB3 LYS A 61 73.844 3.973 10.328 1.00 0.00 H new ATOM 0 HG2 LYS A 61 71.953 3.971 8.745 1.00 0.00 H new ATOM 0 HG3 LYS A 61 72.300 2.321 8.267 1.00 0.00 H new ATOM 0 HD2 LYS A 61 71.769 1.479 10.506 1.00 0.00 H new ATOM 0 HD3 LYS A 61 71.664 3.104 11.152 1.00 0.00 H new ATOM 0 HE2 LYS A 61 69.764 3.554 9.494 1.00 0.00 H new ATOM 0 HE3 LYS A 61 69.808 1.854 9.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 68.173 2.281 10.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 69.412 1.287 11.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 69.369 2.934 11.814 1.00 0.00 H new ATOM 871 N GLY A 62 73.443 4.827 6.798 1.00 0.00 N ATOM 872 CA GLY A 62 72.993 6.092 6.153 1.00 0.00 C ATOM 873 C GLY A 62 71.791 5.800 5.260 1.00 0.00 C ATOM 874 O GLY A 62 71.352 4.671 5.154 1.00 0.00 O ATOM 0 H GLY A 62 73.059 3.974 6.392 1.00 0.00 H new ATOM 0 HA2 GLY A 62 72.727 6.827 6.913 1.00 0.00 H new ATOM 0 HA3 GLY A 62 73.803 6.522 5.564 1.00 0.00 H new ATOM 878 N VAL A 63 71.245 6.810 4.625 1.00 0.00 N ATOM 879 CA VAL A 63 70.055 6.606 3.740 1.00 0.00 C ATOM 880 C VAL A 63 70.401 7.025 2.311 1.00 0.00 C ATOM 881 O VAL A 63 70.887 8.112 2.070 1.00 0.00 O ATOM 882 CB VAL A 63 68.893 7.457 4.264 1.00 0.00 C ATOM 883 CG1 VAL A 63 67.615 7.156 3.473 1.00 0.00 C ATOM 884 CG2 VAL A 63 68.661 7.137 5.744 1.00 0.00 C ATOM 0 H VAL A 63 71.575 7.773 4.683 1.00 0.00 H new ATOM 0 HA VAL A 63 69.768 5.554 3.742 1.00 0.00 H new ATOM 0 HB VAL A 63 69.142 8.511 4.145 1.00 0.00 H new ATOM 0 HG11 VAL A 63 66.798 7.767 3.856 1.00 0.00 H new ATOM 0 HG12 VAL A 63 67.777 7.385 2.420 1.00 0.00 H new ATOM 0 HG13 VAL A 63 67.360 6.102 3.580 1.00 0.00 H new ATOM 0 HG21 VAL A 63 67.835 7.740 6.122 1.00 0.00 H new ATOM 0 HG22 VAL A 63 68.418 6.080 5.854 1.00 0.00 H new ATOM 0 HG23 VAL A 63 69.564 7.363 6.311 1.00 0.00 H new ATOM 894 N VAL A 64 70.164 6.157 1.360 1.00 0.00 N ATOM 895 CA VAL A 64 70.483 6.482 -0.058 1.00 0.00 C ATOM 896 C VAL A 64 69.279 7.156 -0.721 1.00 0.00 C ATOM 897 O VAL A 64 68.213 6.575 -0.842 1.00 0.00 O ATOM 898 CB VAL A 64 70.799 5.188 -0.821 1.00 0.00 C ATOM 899 CG1 VAL A 64 71.523 5.521 -2.125 1.00 0.00 C ATOM 900 CG2 VAL A 64 71.685 4.288 0.036 1.00 0.00 C ATOM 0 H VAL A 64 69.761 5.232 1.509 1.00 0.00 H new ATOM 0 HA VAL A 64 71.342 7.153 -0.082 1.00 0.00 H new ATOM 0 HB VAL A 64 69.867 4.670 -1.047 1.00 0.00 H new ATOM 0 HG11 VAL A 64 71.745 4.600 -2.663 1.00 0.00 H new ATOM 0 HG12 VAL A 64 70.888 6.157 -2.742 1.00 0.00 H new ATOM 0 HG13 VAL A 64 72.453 6.044 -1.902 1.00 0.00 H new ATOM 0 HG21 VAL A 64 71.907 3.371 -0.509 1.00 0.00 H new ATOM 0 HG22 VAL A 64 72.615 4.807 0.267 1.00 0.00 H new ATOM 0 HG23 VAL A 64 71.166 4.043 0.963 1.00 0.00 H new ATOM 910 N THR A 65 69.458 8.369 -1.169 1.00 0.00 N ATOM 911 CA THR A 65 68.358 9.106 -1.860 1.00 0.00 C ATOM 912 C THR A 65 68.971 9.833 -3.065 1.00 0.00 C ATOM 913 O THR A 65 70.124 10.212 -3.024 1.00 0.00 O ATOM 914 CB THR A 65 67.744 10.130 -0.903 1.00 0.00 C ATOM 915 OG1 THR A 65 68.659 11.197 -0.699 1.00 0.00 O ATOM 916 CG2 THR A 65 67.438 9.456 0.434 1.00 0.00 C ATOM 0 H THR A 65 70.332 8.889 -1.085 1.00 0.00 H new ATOM 0 HA THR A 65 67.578 8.416 -2.182 1.00 0.00 H new ATOM 0 HB THR A 65 66.822 10.522 -1.332 1.00 0.00 H new ATOM 0 HG1 THR A 65 68.265 11.854 -0.087 1.00 0.00 H new ATOM 0 HG21 THR A 65 67.001 10.184 1.117 1.00 0.00 H new ATOM 0 HG22 THR A 65 66.735 8.638 0.277 1.00 0.00 H new ATOM 0 HG23 THR A 65 68.360 9.064 0.863 1.00 0.00 H new ATOM 924 N PRO A 66 68.232 10.042 -4.128 1.00 0.00 N ATOM 925 CA PRO A 66 68.779 10.749 -5.318 1.00 0.00 C ATOM 926 C PRO A 66 69.580 11.995 -4.911 1.00 0.00 C ATOM 927 O PRO A 66 70.372 12.516 -5.670 1.00 0.00 O ATOM 928 CB PRO A 66 67.528 11.143 -6.115 1.00 0.00 C ATOM 929 CG PRO A 66 66.483 10.131 -5.742 1.00 0.00 C ATOM 930 CD PRO A 66 66.824 9.640 -4.325 1.00 0.00 C ATOM 0 HA PRO A 66 69.471 10.129 -5.888 1.00 0.00 H new ATOM 0 HB2 PRO A 66 67.204 12.153 -5.864 1.00 0.00 H new ATOM 0 HB3 PRO A 66 67.724 11.128 -7.187 1.00 0.00 H new ATOM 0 HG2 PRO A 66 65.488 10.575 -5.768 1.00 0.00 H new ATOM 0 HG3 PRO A 66 66.480 9.301 -6.448 1.00 0.00 H new ATOM 0 HD2 PRO A 66 66.172 10.095 -3.579 1.00 0.00 H new ATOM 0 HD3 PRO A 66 66.703 8.560 -4.238 1.00 0.00 H new ATOM 938 N SER A 67 69.354 12.482 -3.720 1.00 0.00 N ATOM 939 CA SER A 67 70.070 13.703 -3.253 1.00 0.00 C ATOM 940 C SER A 67 71.557 13.420 -3.003 1.00 0.00 C ATOM 941 O SER A 67 72.407 14.190 -3.405 1.00 0.00 O ATOM 942 CB SER A 67 69.421 14.196 -1.959 1.00 0.00 C ATOM 943 OG SER A 67 68.073 14.563 -2.224 1.00 0.00 O ATOM 0 H SER A 67 68.700 12.083 -3.047 1.00 0.00 H new ATOM 0 HA SER A 67 69.998 14.464 -4.030 1.00 0.00 H new ATOM 0 HB2 SER A 67 69.455 13.415 -1.200 1.00 0.00 H new ATOM 0 HB3 SER A 67 69.972 15.049 -1.563 1.00 0.00 H new ATOM 0 HG SER A 67 67.651 14.878 -1.397 1.00 0.00 H new ATOM 949 N THR A 68 71.893 12.343 -2.330 1.00 0.00 N ATOM 950 CA THR A 68 73.344 12.060 -2.055 1.00 0.00 C ATOM 951 C THR A 68 73.610 10.537 -2.002 1.00 0.00 C ATOM 952 O THR A 68 72.812 9.795 -1.466 1.00 0.00 O ATOM 953 CB THR A 68 73.720 12.676 -0.705 1.00 0.00 C ATOM 954 OG1 THR A 68 74.929 12.093 -0.240 1.00 0.00 O ATOM 955 CG2 THR A 68 72.602 12.415 0.305 1.00 0.00 C ATOM 0 H THR A 68 71.236 11.654 -1.963 1.00 0.00 H new ATOM 0 HA THR A 68 73.943 12.491 -2.857 1.00 0.00 H new ATOM 0 HB THR A 68 73.857 13.751 -0.821 1.00 0.00 H new ATOM 0 HG1 THR A 68 75.172 12.488 0.624 1.00 0.00 H new ATOM 0 HG21 THR A 68 72.870 12.854 1.266 1.00 0.00 H new ATOM 0 HG22 THR A 68 71.676 12.864 -0.053 1.00 0.00 H new ATOM 0 HG23 THR A 68 72.462 11.341 0.423 1.00 0.00 H new ATOM 963 N PRO A 69 74.733 10.070 -2.529 1.00 0.00 N ATOM 964 CA PRO A 69 75.105 8.620 -2.507 1.00 0.00 C ATOM 965 C PRO A 69 75.848 8.229 -1.217 1.00 0.00 C ATOM 966 O PRO A 69 76.335 9.074 -0.493 1.00 0.00 O ATOM 967 CB PRO A 69 76.052 8.509 -3.698 1.00 0.00 C ATOM 968 CG PRO A 69 76.796 9.799 -3.678 1.00 0.00 C ATOM 969 CD PRO A 69 75.781 10.857 -3.220 1.00 0.00 C ATOM 0 HA PRO A 69 74.234 7.966 -2.551 1.00 0.00 H new ATOM 0 HB2 PRO A 69 76.724 7.657 -3.597 1.00 0.00 H new ATOM 0 HB3 PRO A 69 75.507 8.376 -4.632 1.00 0.00 H new ATOM 0 HG2 PRO A 69 77.645 9.751 -2.997 1.00 0.00 H new ATOM 0 HG3 PRO A 69 77.192 10.038 -4.665 1.00 0.00 H new ATOM 0 HD2 PRO A 69 76.238 11.587 -2.552 1.00 0.00 H new ATOM 0 HD3 PRO A 69 75.373 11.411 -4.065 1.00 0.00 H new ATOM 977 N VAL A 70 75.959 6.949 -0.946 1.00 0.00 N ATOM 978 CA VAL A 70 76.698 6.475 0.274 1.00 0.00 C ATOM 979 C VAL A 70 77.952 5.734 -0.199 1.00 0.00 C ATOM 980 O VAL A 70 77.884 4.873 -1.053 1.00 0.00 O ATOM 981 CB VAL A 70 75.797 5.539 1.082 1.00 0.00 C ATOM 982 CG1 VAL A 70 76.547 5.038 2.319 1.00 0.00 C ATOM 983 CG2 VAL A 70 74.549 6.313 1.525 1.00 0.00 C ATOM 0 H VAL A 70 75.566 6.204 -1.522 1.00 0.00 H new ATOM 0 HA VAL A 70 76.979 7.314 0.911 1.00 0.00 H new ATOM 0 HB VAL A 70 75.510 4.686 0.467 1.00 0.00 H new ATOM 0 HG11 VAL A 70 75.901 4.372 2.891 1.00 0.00 H new ATOM 0 HG12 VAL A 70 77.441 4.498 2.008 1.00 0.00 H new ATOM 0 HG13 VAL A 70 76.833 5.887 2.940 1.00 0.00 H new ATOM 0 HG21 VAL A 70 73.899 5.655 2.102 1.00 0.00 H new ATOM 0 HG22 VAL A 70 74.847 7.161 2.141 1.00 0.00 H new ATOM 0 HG23 VAL A 70 74.013 6.673 0.647 1.00 0.00 H new ATOM 993 N ASN A 71 79.106 6.093 0.318 1.00 0.00 N ATOM 994 CA ASN A 71 80.381 5.448 -0.140 1.00 0.00 C ATOM 995 C ASN A 71 80.913 4.443 0.889 1.00 0.00 C ATOM 996 O ASN A 71 80.897 4.687 2.079 1.00 0.00 O ATOM 997 CB ASN A 71 81.437 6.539 -0.329 1.00 0.00 C ATOM 998 CG ASN A 71 80.970 7.537 -1.391 1.00 0.00 C ATOM 999 OD1 ASN A 71 79.874 7.300 -2.061 1.00 0.00 O flip ATOM 1000 ND2 ASN A 71 81.607 8.549 -1.612 1.00 0.00 N flip ATOM 0 H ASN A 71 79.220 6.806 1.038 1.00 0.00 H new ATOM 0 HA ASN A 71 80.177 4.917 -1.069 1.00 0.00 H new ATOM 0 HB2 ASN A 71 81.613 7.055 0.615 1.00 0.00 H new ATOM 0 HB3 ASN A 71 82.385 6.092 -0.629 1.00 0.00 H new ATOM 0 HD21 ASN A 71 82.463 8.737 -1.090 1.00 0.00 H new ATOM 0 HD22 ASN A 71 81.285 9.210 -2.319 1.00 0.00 H new ATOM 1007 N THR A 72 81.431 3.331 0.427 1.00 0.00 N ATOM 1008 CA THR A 72 82.027 2.312 1.347 1.00 0.00 C ATOM 1009 C THR A 72 83.534 2.335 1.122 1.00 0.00 C ATOM 1010 O THR A 72 84.246 1.405 1.447 1.00 0.00 O ATOM 1011 CB THR A 72 81.489 0.926 0.982 1.00 0.00 C ATOM 1012 OG1 THR A 72 82.411 -0.063 1.411 1.00 0.00 O ATOM 1013 CG2 THR A 72 81.303 0.823 -0.535 1.00 0.00 C ATOM 0 H THR A 72 81.467 3.083 -0.562 1.00 0.00 H new ATOM 0 HA THR A 72 81.779 2.529 2.386 1.00 0.00 H new ATOM 0 HB THR A 72 80.528 0.772 1.473 1.00 0.00 H new ATOM 0 HG1 THR A 72 82.235 -0.289 2.348 1.00 0.00 H new ATOM 0 HG21 THR A 72 80.920 -0.166 -0.788 1.00 0.00 H new ATOM 0 HG22 THR A 72 80.595 1.582 -0.867 1.00 0.00 H new ATOM 0 HG23 THR A 72 82.261 0.979 -1.030 1.00 0.00 H new ATOM 1021 N ASN A 73 84.020 3.401 0.550 1.00 0.00 N ATOM 1022 CA ASN A 73 85.473 3.502 0.275 1.00 0.00 C ATOM 1023 C ASN A 73 86.228 3.681 1.586 1.00 0.00 C ATOM 1024 O ASN A 73 86.991 4.613 1.751 1.00 0.00 O ATOM 1025 CB ASN A 73 85.738 4.700 -0.638 1.00 0.00 C ATOM 1026 CG ASN A 73 87.174 4.631 -1.158 1.00 0.00 C ATOM 1027 OD1 ASN A 73 87.881 3.678 -0.899 1.00 0.00 O ATOM 1028 ND2 ASN A 73 87.639 5.606 -1.887 1.00 0.00 N ATOM 0 H ASN A 73 83.468 4.208 0.261 1.00 0.00 H new ATOM 0 HA ASN A 73 85.814 2.591 -0.217 1.00 0.00 H new ATOM 0 HB2 ASN A 73 85.036 4.698 -1.472 1.00 0.00 H new ATOM 0 HB3 ASN A 73 85.581 5.630 -0.092 1.00 0.00 H new ATOM 0 HD21 ASN A 73 88.595 5.568 -2.239 1.00 0.00 H new ATOM 0 HD22 ASN A 73 87.046 6.407 -2.105 1.00 0.00 H new ATOM 1035 N GLN A 74 86.038 2.785 2.515 1.00 0.00 N ATOM 1036 CA GLN A 74 86.769 2.899 3.813 1.00 0.00 C ATOM 1037 C GLN A 74 88.255 3.116 3.511 1.00 0.00 C ATOM 1038 O GLN A 74 88.685 2.989 2.381 1.00 0.00 O ATOM 1039 CB GLN A 74 86.584 1.609 4.621 1.00 0.00 C ATOM 1040 CG GLN A 74 87.128 1.803 6.041 1.00 0.00 C ATOM 1041 CD GLN A 74 86.679 0.641 6.928 1.00 0.00 C ATOM 1042 OE1 GLN A 74 86.425 -0.445 6.446 1.00 0.00 O ATOM 1043 NE2 GLN A 74 86.567 0.828 8.215 1.00 0.00 N ATOM 0 H GLN A 74 85.413 1.983 2.435 1.00 0.00 H new ATOM 0 HA GLN A 74 86.381 3.735 4.394 1.00 0.00 H new ATOM 0 HB2 GLN A 74 85.528 1.342 4.660 1.00 0.00 H new ATOM 0 HB3 GLN A 74 87.104 0.785 4.132 1.00 0.00 H new ATOM 0 HG2 GLN A 74 88.216 1.857 6.020 1.00 0.00 H new ATOM 0 HG3 GLN A 74 86.770 2.747 6.452 1.00 0.00 H new ATOM 0 HE21 GLN A 74 86.781 1.740 8.618 1.00 0.00 H new ATOM 0 HE22 GLN A 74 86.266 0.062 8.817 1.00 0.00 H new ATOM 1052 N ASP A 75 89.046 3.451 4.490 1.00 0.00 N ATOM 1053 CA ASP A 75 90.491 3.677 4.211 1.00 0.00 C ATOM 1054 C ASP A 75 91.090 2.396 3.623 1.00 0.00 C ATOM 1055 O ASP A 75 91.003 1.333 4.203 1.00 0.00 O ATOM 1056 CB ASP A 75 91.210 4.043 5.512 1.00 0.00 C ATOM 1057 CG ASP A 75 90.822 5.463 5.933 1.00 0.00 C ATOM 1058 OD1 ASP A 75 90.362 6.208 5.082 1.00 0.00 O ATOM 1059 OD2 ASP A 75 90.993 5.781 7.098 1.00 0.00 O ATOM 0 H ASP A 75 88.760 3.577 5.461 1.00 0.00 H new ATOM 0 HA ASP A 75 90.611 4.494 3.499 1.00 0.00 H new ATOM 0 HB2 ASP A 75 90.945 3.335 6.297 1.00 0.00 H new ATOM 0 HB3 ASP A 75 92.289 3.976 5.374 1.00 0.00 H new ATOM 1064 N ILE A 76 91.680 2.492 2.461 1.00 0.00 N ATOM 1065 CA ILE A 76 92.270 1.285 1.808 1.00 0.00 C ATOM 1066 C ILE A 76 93.644 0.962 2.407 1.00 0.00 C ATOM 1067 O ILE A 76 94.127 -0.148 2.296 1.00 0.00 O ATOM 1068 CB ILE A 76 92.428 1.544 0.311 1.00 0.00 C ATOM 1069 CG1 ILE A 76 91.081 1.973 -0.296 1.00 0.00 C ATOM 1070 CG2 ILE A 76 92.924 0.270 -0.378 1.00 0.00 C ATOM 1071 CD1 ILE A 76 89.989 0.928 -0.016 1.00 0.00 C ATOM 0 H ILE A 76 91.779 3.359 1.933 1.00 0.00 H new ATOM 0 HA ILE A 76 91.603 0.439 1.976 1.00 0.00 H new ATOM 0 HB ILE A 76 93.153 2.344 0.161 1.00 0.00 H new ATOM 0 HG12 ILE A 76 90.782 2.936 0.119 1.00 0.00 H new ATOM 0 HG13 ILE A 76 91.191 2.109 -1.372 1.00 0.00 H new ATOM 0 HG21 ILE A 76 93.037 0.454 -1.446 1.00 0.00 H new ATOM 0 HG22 ILE A 76 93.886 -0.021 0.044 1.00 0.00 H new ATOM 0 HG23 ILE A 76 92.203 -0.532 -0.223 1.00 0.00 H new ATOM 0 HD11 ILE A 76 89.048 1.258 -0.457 1.00 0.00 H new ATOM 0 HD12 ILE A 76 90.279 -0.027 -0.453 1.00 0.00 H new ATOM 0 HD13 ILE A 76 89.864 0.812 1.061 1.00 0.00 H new ATOM 1083 N ASN A 77 94.297 1.915 3.017 1.00 0.00 N ATOM 1084 CA ASN A 77 95.647 1.630 3.589 1.00 0.00 C ATOM 1085 C ASN A 77 95.549 0.521 4.639 1.00 0.00 C ATOM 1086 O ASN A 77 96.311 -0.424 4.621 1.00 0.00 O ATOM 1087 CB ASN A 77 96.220 2.898 4.224 1.00 0.00 C ATOM 1088 CG ASN A 77 97.600 2.597 4.814 1.00 0.00 C ATOM 1089 OD1 ASN A 77 97.722 2.345 5.997 1.00 0.00 O ATOM 1090 ND2 ASN A 77 98.651 2.607 4.039 1.00 0.00 N ATOM 0 H ASN A 77 93.959 2.869 3.144 1.00 0.00 H new ATOM 0 HA ASN A 77 96.309 1.301 2.788 1.00 0.00 H new ATOM 0 HB2 ASN A 77 96.297 3.688 3.477 1.00 0.00 H new ATOM 0 HB3 ASN A 77 95.551 3.261 5.004 1.00 0.00 H new ATOM 0 HD21 ASN A 77 99.572 2.404 4.426 1.00 0.00 H new ATOM 0 HD22 ASN A 77 98.551 2.818 3.046 1.00 0.00 H new ATOM 1097 N LYS A 78 94.615 0.612 5.543 1.00 0.00 N ATOM 1098 CA LYS A 78 94.481 -0.460 6.569 1.00 0.00 C ATOM 1099 C LYS A 78 94.105 -1.766 5.861 1.00 0.00 C ATOM 1100 O LYS A 78 94.575 -2.831 6.202 1.00 0.00 O ATOM 1101 CB LYS A 78 93.392 -0.088 7.586 1.00 0.00 C ATOM 1102 CG LYS A 78 92.201 0.563 6.866 1.00 0.00 C ATOM 1103 CD LYS A 78 90.927 0.377 7.693 1.00 0.00 C ATOM 1104 CE LYS A 78 91.090 1.028 9.067 1.00 0.00 C ATOM 1105 NZ LYS A 78 89.743 1.277 9.650 1.00 0.00 N ATOM 0 H LYS A 78 93.943 1.376 5.617 1.00 0.00 H new ATOM 0 HA LYS A 78 95.424 -0.579 7.102 1.00 0.00 H new ATOM 0 HB2 LYS A 78 93.062 -0.979 8.120 1.00 0.00 H new ATOM 0 HB3 LYS A 78 93.797 0.598 8.330 1.00 0.00 H new ATOM 0 HG2 LYS A 78 92.394 1.625 6.713 1.00 0.00 H new ATOM 0 HG3 LYS A 78 92.073 0.117 5.880 1.00 0.00 H new ATOM 0 HD2 LYS A 78 90.078 0.819 7.171 1.00 0.00 H new ATOM 0 HD3 LYS A 78 90.712 -0.685 7.809 1.00 0.00 H new ATOM 0 HE2 LYS A 78 91.670 0.380 9.724 1.00 0.00 H new ATOM 0 HE3 LYS A 78 91.640 1.965 8.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 89.846 1.720 10.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 89.206 1.910 9.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 89.235 0.375 9.748 1.00 0.00 H new ATOM 1119 N THR A 79 93.259 -1.678 4.874 1.00 0.00 N ATOM 1120 CA THR A 79 92.831 -2.889 4.121 1.00 0.00 C ATOM 1121 C THR A 79 94.054 -3.551 3.484 1.00 0.00 C ATOM 1122 O THR A 79 94.229 -4.747 3.537 1.00 0.00 O ATOM 1123 CB THR A 79 91.858 -2.430 3.032 1.00 0.00 C ATOM 1124 OG1 THR A 79 90.662 -1.962 3.635 1.00 0.00 O ATOM 1125 CG2 THR A 79 91.536 -3.562 2.060 1.00 0.00 C ATOM 0 H THR A 79 92.840 -0.805 4.552 1.00 0.00 H new ATOM 0 HA THR A 79 92.352 -3.612 4.782 1.00 0.00 H new ATOM 0 HB THR A 79 92.331 -1.626 2.468 1.00 0.00 H new ATOM 0 HG1 THR A 79 90.757 -1.012 3.855 1.00 0.00 H new ATOM 0 HG21 THR A 79 90.843 -3.202 1.300 1.00 0.00 H new ATOM 0 HG22 THR A 79 92.454 -3.903 1.582 1.00 0.00 H new ATOM 0 HG23 THR A 79 91.081 -4.390 2.604 1.00 0.00 H new ATOM 1133 N ASN A 80 94.902 -2.781 2.885 1.00 0.00 N ATOM 1134 CA ASN A 80 96.111 -3.361 2.244 1.00 0.00 C ATOM 1135 C ASN A 80 96.987 -4.046 3.301 1.00 0.00 C ATOM 1136 O ASN A 80 97.617 -5.052 3.039 1.00 0.00 O ATOM 1137 CB ASN A 80 96.904 -2.244 1.568 1.00 0.00 C ATOM 1138 CG ASN A 80 96.129 -1.732 0.353 1.00 0.00 C ATOM 1139 OD1 ASN A 80 95.340 -2.451 -0.227 1.00 0.00 O ATOM 1140 ND2 ASN A 80 96.321 -0.508 -0.058 1.00 0.00 N ATOM 0 H ASN A 80 94.814 -1.768 2.808 1.00 0.00 H new ATOM 0 HA ASN A 80 95.808 -4.100 1.502 1.00 0.00 H new ATOM 0 HB2 ASN A 80 97.078 -1.430 2.271 1.00 0.00 H new ATOM 0 HB3 ASN A 80 97.882 -2.613 1.260 1.00 0.00 H new ATOM 0 HD21 ASN A 80 95.809 -0.155 -0.866 1.00 0.00 H new ATOM 0 HD22 ASN A 80 96.983 0.096 0.429 1.00 0.00 H new ATOM 1147 N LYS A 81 97.055 -3.497 4.482 1.00 0.00 N ATOM 1148 CA LYS A 81 97.918 -4.110 5.533 1.00 0.00 C ATOM 1149 C LYS A 81 97.330 -5.441 6.025 1.00 0.00 C ATOM 1150 O LYS A 81 98.053 -6.402 6.200 1.00 0.00 O ATOM 1151 CB LYS A 81 98.064 -3.137 6.717 1.00 0.00 C ATOM 1152 CG LYS A 81 99.194 -3.599 7.676 1.00 0.00 C ATOM 1153 CD LYS A 81 98.626 -4.443 8.826 1.00 0.00 C ATOM 1154 CE LYS A 81 99.759 -4.814 9.786 1.00 0.00 C ATOM 1155 NZ LYS A 81 99.249 -5.762 10.816 1.00 0.00 N ATOM 0 H LYS A 81 96.554 -2.655 4.765 1.00 0.00 H new ATOM 0 HA LYS A 81 98.897 -4.309 5.098 1.00 0.00 H new ATOM 0 HB2 LYS A 81 98.283 -2.136 6.346 1.00 0.00 H new ATOM 0 HB3 LYS A 81 97.122 -3.076 7.261 1.00 0.00 H new ATOM 0 HG2 LYS A 81 99.931 -4.181 7.122 1.00 0.00 H new ATOM 0 HG3 LYS A 81 99.712 -2.729 8.080 1.00 0.00 H new ATOM 0 HD2 LYS A 81 97.853 -3.885 9.355 1.00 0.00 H new ATOM 0 HD3 LYS A 81 98.156 -5.345 8.433 1.00 0.00 H new ATOM 0 HE2 LYS A 81 100.583 -5.268 9.235 1.00 0.00 H new ATOM 0 HE3 LYS A 81 100.152 -3.917 10.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 100.019 -6.014 11.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 98.477 -5.313 11.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 98.894 -6.622 10.351 1.00 0.00 H new ATOM 1169 N VAL A 82 96.038 -5.503 6.285 1.00 0.00 N ATOM 1170 CA VAL A 82 95.429 -6.780 6.805 1.00 0.00 C ATOM 1171 C VAL A 82 94.387 -7.347 5.828 1.00 0.00 C ATOM 1172 O VAL A 82 94.187 -8.543 5.762 1.00 0.00 O ATOM 1173 CB VAL A 82 94.769 -6.493 8.160 1.00 0.00 C ATOM 1174 CG1 VAL A 82 93.791 -5.328 8.029 1.00 0.00 C ATOM 1175 CG2 VAL A 82 94.020 -7.735 8.635 1.00 0.00 C ATOM 0 H VAL A 82 95.383 -4.731 6.161 1.00 0.00 H new ATOM 0 HA VAL A 82 96.217 -7.525 6.914 1.00 0.00 H new ATOM 0 HB VAL A 82 95.541 -6.231 8.884 1.00 0.00 H new ATOM 0 HG11 VAL A 82 93.327 -5.132 8.996 1.00 0.00 H new ATOM 0 HG12 VAL A 82 94.327 -4.439 7.696 1.00 0.00 H new ATOM 0 HG13 VAL A 82 93.020 -5.581 7.301 1.00 0.00 H new ATOM 0 HG21 VAL A 82 93.551 -7.531 9.598 1.00 0.00 H new ATOM 0 HG22 VAL A 82 93.253 -7.998 7.906 1.00 0.00 H new ATOM 0 HG23 VAL A 82 94.720 -8.564 8.741 1.00 0.00 H new ATOM 1185 N GLY A 83 93.729 -6.518 5.059 1.00 0.00 N ATOM 1186 CA GLY A 83 92.719 -7.044 4.088 1.00 0.00 C ATOM 1187 C GLY A 83 91.341 -7.140 4.745 1.00 0.00 C ATOM 1188 O GLY A 83 91.209 -7.222 5.951 1.00 0.00 O ATOM 0 H GLY A 83 93.845 -5.505 5.060 1.00 0.00 H new ATOM 0 HA2 GLY A 83 92.668 -6.390 3.218 1.00 0.00 H new ATOM 0 HA3 GLY A 83 93.027 -8.027 3.731 1.00 0.00 H new ATOM 1192 N VAL A 84 90.314 -7.154 3.938 1.00 0.00 N ATOM 1193 CA VAL A 84 88.916 -7.269 4.459 1.00 0.00 C ATOM 1194 C VAL A 84 88.464 -8.722 4.305 1.00 0.00 C ATOM 1195 O VAL A 84 88.503 -9.282 3.226 1.00 0.00 O ATOM 1196 CB VAL A 84 87.996 -6.348 3.648 1.00 0.00 C ATOM 1197 CG1 VAL A 84 86.533 -6.647 3.991 1.00 0.00 C ATOM 1198 CG2 VAL A 84 88.310 -4.882 3.986 1.00 0.00 C ATOM 0 H VAL A 84 90.384 -7.090 2.922 1.00 0.00 H new ATOM 0 HA VAL A 84 88.874 -6.976 5.508 1.00 0.00 H new ATOM 0 HB VAL A 84 88.161 -6.521 2.585 1.00 0.00 H new ATOM 0 HG11 VAL A 84 85.882 -5.991 3.413 1.00 0.00 H new ATOM 0 HG12 VAL A 84 86.308 -7.686 3.750 1.00 0.00 H new ATOM 0 HG13 VAL A 84 86.367 -6.477 5.055 1.00 0.00 H new ATOM 0 HG21 VAL A 84 87.656 -4.228 3.410 1.00 0.00 H new ATOM 0 HG22 VAL A 84 88.148 -4.711 5.050 1.00 0.00 H new ATOM 0 HG23 VAL A 84 89.349 -4.666 3.738 1.00 0.00 H new ATOM 1208 N GLN A 85 88.065 -9.348 5.376 1.00 0.00 N ATOM 1209 CA GLN A 85 87.653 -10.775 5.292 1.00 0.00 C ATOM 1210 C GLN A 85 86.244 -10.916 4.703 1.00 0.00 C ATOM 1211 O GLN A 85 86.071 -11.494 3.649 1.00 0.00 O ATOM 1212 CB GLN A 85 87.694 -11.380 6.698 1.00 0.00 C ATOM 1213 CG GLN A 85 87.287 -12.853 6.644 1.00 0.00 C ATOM 1214 CD GLN A 85 87.571 -13.507 8.000 1.00 0.00 C ATOM 1215 OE1 GLN A 85 88.214 -12.919 8.847 1.00 0.00 O ATOM 1216 NE2 GLN A 85 87.137 -14.714 8.235 1.00 0.00 N ATOM 0 H GLN A 85 88.007 -8.933 6.306 1.00 0.00 H new ATOM 0 HA GLN A 85 88.341 -11.303 4.631 1.00 0.00 H new ATOM 0 HB2 GLN A 85 88.697 -11.286 7.114 1.00 0.00 H new ATOM 0 HB3 GLN A 85 87.022 -10.832 7.359 1.00 0.00 H new ATOM 0 HG2 GLN A 85 86.228 -12.941 6.400 1.00 0.00 H new ATOM 0 HG3 GLN A 85 87.840 -13.366 5.857 1.00 0.00 H new ATOM 0 HE21 GLN A 85 86.597 -15.209 7.525 1.00 0.00 H new ATOM 0 HE22 GLN A 85 87.337 -15.163 9.129 1.00 0.00 H new ATOM 1225 N LYS A 86 85.232 -10.426 5.383 1.00 0.00 N ATOM 1226 CA LYS A 86 83.825 -10.569 4.870 1.00 0.00 C ATOM 1227 C LYS A 86 83.194 -9.207 4.548 1.00 0.00 C ATOM 1228 O LYS A 86 83.520 -8.196 5.133 1.00 0.00 O ATOM 1229 CB LYS A 86 82.986 -11.273 5.936 1.00 0.00 C ATOM 1230 CG LYS A 86 81.586 -11.543 5.386 1.00 0.00 C ATOM 1231 CD LYS A 86 80.782 -12.333 6.417 1.00 0.00 C ATOM 1232 CE LYS A 86 79.382 -12.604 5.868 1.00 0.00 C ATOM 1233 NZ LYS A 86 79.487 -13.378 4.599 1.00 0.00 N ATOM 0 H LYS A 86 85.318 -9.933 6.272 1.00 0.00 H new ATOM 0 HA LYS A 86 83.853 -11.149 3.948 1.00 0.00 H new ATOM 0 HB2 LYS A 86 83.461 -12.210 6.228 1.00 0.00 H new ATOM 0 HB3 LYS A 86 82.924 -10.655 6.832 1.00 0.00 H new ATOM 0 HG2 LYS A 86 81.084 -10.602 5.160 1.00 0.00 H new ATOM 0 HG3 LYS A 86 81.651 -12.102 4.453 1.00 0.00 H new ATOM 0 HD2 LYS A 86 81.284 -13.273 6.643 1.00 0.00 H new ATOM 0 HD3 LYS A 86 80.717 -11.774 7.350 1.00 0.00 H new ATOM 0 HE2 LYS A 86 78.795 -13.161 6.598 1.00 0.00 H new ATOM 0 HE3 LYS A 86 78.861 -11.663 5.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 78.586 -13.863 4.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 79.701 -12.730 3.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 80.248 -14.082 4.684 1.00 0.00 H new ATOM 1247 N TYR A 87 82.265 -9.203 3.621 1.00 0.00 N ATOM 1248 CA TYR A 87 81.541 -7.948 3.234 1.00 0.00 C ATOM 1249 C TYR A 87 80.042 -8.175 3.480 1.00 0.00 C ATOM 1250 O TYR A 87 79.499 -9.182 3.070 1.00 0.00 O ATOM 1251 CB TYR A 87 81.779 -7.671 1.746 1.00 0.00 C ATOM 1252 CG TYR A 87 81.011 -6.442 1.313 1.00 0.00 C ATOM 1253 CD1 TYR A 87 79.702 -6.565 0.833 1.00 0.00 C ATOM 1254 CD2 TYR A 87 81.615 -5.181 1.376 1.00 0.00 C ATOM 1255 CE1 TYR A 87 78.996 -5.428 0.420 1.00 0.00 C ATOM 1256 CE2 TYR A 87 80.910 -4.044 0.963 1.00 0.00 C ATOM 1257 CZ TYR A 87 79.601 -4.167 0.485 1.00 0.00 C ATOM 1258 OH TYR A 87 78.906 -3.044 0.080 1.00 0.00 O ATOM 0 H TYR A 87 81.972 -10.033 3.106 1.00 0.00 H new ATOM 0 HA TYR A 87 81.898 -7.099 3.818 1.00 0.00 H new ATOM 0 HB2 TYR A 87 82.844 -7.527 1.561 1.00 0.00 H new ATOM 0 HB3 TYR A 87 81.466 -8.531 1.154 1.00 0.00 H new ATOM 0 HD1 TYR A 87 79.236 -7.538 0.781 1.00 0.00 H new ATOM 0 HD2 TYR A 87 82.626 -5.085 1.744 1.00 0.00 H new ATOM 0 HE1 TYR A 87 77.985 -5.524 0.052 1.00 0.00 H new ATOM 0 HE2 TYR A 87 81.377 -3.071 1.013 1.00 0.00 H new ATOM 0 HH TYR A 87 78.369 -3.259 -0.711 1.00 0.00 H new ATOM 1268 N ARG A 88 79.363 -7.268 4.151 1.00 0.00 N ATOM 1269 CA ARG A 88 77.894 -7.471 4.418 1.00 0.00 C ATOM 1270 C ARG A 88 77.114 -6.175 4.185 1.00 0.00 C ATOM 1271 O ARG A 88 77.456 -5.124 4.690 1.00 0.00 O ATOM 1272 CB ARG A 88 77.689 -7.912 5.866 1.00 0.00 C ATOM 1273 CG ARG A 88 76.212 -8.245 6.100 1.00 0.00 C ATOM 1274 CD ARG A 88 76.003 -8.707 7.543 1.00 0.00 C ATOM 1275 NE ARG A 88 76.182 -7.552 8.465 1.00 0.00 N ATOM 1276 CZ ARG A 88 76.277 -7.754 9.749 1.00 0.00 C ATOM 1277 NH1 ARG A 88 76.175 -8.964 10.227 1.00 0.00 N ATOM 1278 NH2 ARG A 88 76.467 -6.747 10.557 1.00 0.00 N ATOM 0 H ARG A 88 79.756 -6.403 4.523 1.00 0.00 H new ATOM 0 HA ARG A 88 77.528 -8.237 3.734 1.00 0.00 H new ATOM 0 HB2 ARG A 88 78.307 -8.784 6.082 1.00 0.00 H new ATOM 0 HB3 ARG A 88 78.006 -7.121 6.546 1.00 0.00 H new ATOM 0 HG2 ARG A 88 75.596 -7.369 5.897 1.00 0.00 H new ATOM 0 HG3 ARG A 88 75.893 -9.026 5.409 1.00 0.00 H new ATOM 0 HD2 ARG A 88 75.005 -9.128 7.660 1.00 0.00 H new ATOM 0 HD3 ARG A 88 76.713 -9.496 7.790 1.00 0.00 H new ATOM 0 HE ARG A 88 76.230 -6.604 8.092 1.00 0.00 H new ATOM 0 HH11 ARG A 88 76.021 -9.750 9.596 1.00 0.00 H new ATOM 0 HH12 ARG A 88 76.249 -9.123 11.232 1.00 0.00 H new ATOM 0 HH21 ARG A 88 76.541 -5.801 10.184 1.00 0.00 H new ATOM 0 HH22 ARG A 88 76.541 -6.906 11.562 1.00 0.00 H new ATOM 1292 N ALA A 89 76.052 -6.267 3.427 1.00 0.00 N ATOM 1293 CA ALA A 89 75.191 -5.074 3.136 1.00 0.00 C ATOM 1294 C ALA A 89 73.742 -5.382 3.533 1.00 0.00 C ATOM 1295 O ALA A 89 73.227 -6.441 3.234 1.00 0.00 O ATOM 1296 CB ALA A 89 75.250 -4.756 1.640 1.00 0.00 C ATOM 0 H ALA A 89 75.737 -7.132 2.988 1.00 0.00 H new ATOM 0 HA ALA A 89 75.552 -4.218 3.706 1.00 0.00 H new ATOM 0 HB1 ALA A 89 74.624 -3.889 1.427 1.00 0.00 H new ATOM 0 HB2 ALA A 89 76.279 -4.540 1.354 1.00 0.00 H new ATOM 0 HB3 ALA A 89 74.888 -5.613 1.071 1.00 0.00 H new ATOM 1302 N LEU A 90 73.079 -4.464 4.194 1.00 0.00 N ATOM 1303 CA LEU A 90 71.651 -4.686 4.609 1.00 0.00 C ATOM 1304 C LEU A 90 70.787 -3.599 3.954 1.00 0.00 C ATOM 1305 O LEU A 90 71.100 -2.428 4.030 1.00 0.00 O ATOM 1306 CB LEU A 90 71.555 -4.577 6.142 1.00 0.00 C ATOM 1307 CG LEU A 90 70.427 -5.463 6.681 1.00 0.00 C ATOM 1308 CD1 LEU A 90 70.308 -5.263 8.194 1.00 0.00 C ATOM 1309 CD2 LEU A 90 69.105 -5.083 6.008 1.00 0.00 C ATOM 0 H LEU A 90 73.467 -3.561 4.468 1.00 0.00 H new ATOM 0 HA LEU A 90 71.306 -5.672 4.297 1.00 0.00 H new ATOM 0 HB2 LEU A 90 72.503 -4.873 6.592 1.00 0.00 H new ATOM 0 HB3 LEU A 90 71.377 -3.540 6.427 1.00 0.00 H new ATOM 0 HG LEU A 90 70.651 -6.508 6.466 1.00 0.00 H new ATOM 0 HD11 LEU A 90 69.506 -5.891 8.582 1.00 0.00 H new ATOM 0 HD12 LEU A 90 71.248 -5.537 8.672 1.00 0.00 H new ATOM 0 HD13 LEU A 90 70.084 -4.218 8.406 1.00 0.00 H new ATOM 0 HD21 LEU A 90 68.305 -5.715 6.394 1.00 0.00 H new ATOM 0 HD22 LEU A 90 68.876 -4.039 6.220 1.00 0.00 H new ATOM 0 HD23 LEU A 90 69.191 -5.224 4.931 1.00 0.00 H new ATOM 1321 N THR A 91 69.721 -3.980 3.292 1.00 0.00 N ATOM 1322 CA THR A 91 68.848 -2.968 2.601 1.00 0.00 C ATOM 1323 C THR A 91 67.369 -3.149 2.981 1.00 0.00 C ATOM 1324 O THR A 91 66.776 -4.188 2.768 1.00 0.00 O ATOM 1325 CB THR A 91 69.009 -3.144 1.085 1.00 0.00 C ATOM 1326 OG1 THR A 91 69.014 -4.528 0.769 1.00 0.00 O ATOM 1327 CG2 THR A 91 70.325 -2.509 0.623 1.00 0.00 C ATOM 0 H THR A 91 69.414 -4.948 3.198 1.00 0.00 H new ATOM 0 HA THR A 91 69.153 -1.969 2.912 1.00 0.00 H new ATOM 0 HB THR A 91 68.178 -2.655 0.576 1.00 0.00 H new ATOM 0 HG1 THR A 91 68.278 -4.973 1.238 1.00 0.00 H new ATOM 0 HG21 THR A 91 70.433 -2.638 -0.454 1.00 0.00 H new ATOM 0 HG22 THR A 91 70.320 -1.446 0.863 1.00 0.00 H new ATOM 0 HG23 THR A 91 71.160 -2.991 1.131 1.00 0.00 H new ATOM 1335 N GLU A 92 66.779 -2.116 3.530 1.00 0.00 N ATOM 1336 CA GLU A 92 65.331 -2.167 3.927 1.00 0.00 C ATOM 1337 C GLU A 92 64.620 -0.899 3.436 1.00 0.00 C ATOM 1338 O GLU A 92 65.243 0.102 3.169 1.00 0.00 O ATOM 1339 CB GLU A 92 65.219 -2.253 5.450 1.00 0.00 C ATOM 1340 CG GLU A 92 65.704 -3.625 5.920 1.00 0.00 C ATOM 1341 CD GLU A 92 65.593 -3.713 7.442 1.00 0.00 C ATOM 1342 OE1 GLU A 92 65.306 -2.697 8.054 1.00 0.00 O ATOM 1343 OE2 GLU A 92 65.789 -4.795 7.970 1.00 0.00 O ATOM 0 H GLU A 92 67.242 -1.228 3.724 1.00 0.00 H new ATOM 0 HA GLU A 92 64.865 -3.044 3.478 1.00 0.00 H new ATOM 0 HB2 GLU A 92 65.814 -1.466 5.914 1.00 0.00 H new ATOM 0 HB3 GLU A 92 64.186 -2.095 5.759 1.00 0.00 H new ATOM 0 HG2 GLU A 92 65.109 -4.411 5.456 1.00 0.00 H new ATOM 0 HG3 GLU A 92 66.737 -3.783 5.611 1.00 0.00 H new ATOM 1350 N TRP A 93 63.318 -0.930 3.323 1.00 0.00 N ATOM 1351 CA TRP A 93 62.577 0.285 2.861 1.00 0.00 C ATOM 1352 C TRP A 93 62.555 1.326 3.991 1.00 0.00 C ATOM 1353 O TRP A 93 62.454 0.983 5.151 1.00 0.00 O ATOM 1354 CB TRP A 93 61.135 -0.094 2.500 1.00 0.00 C ATOM 1355 CG TRP A 93 61.086 -0.760 1.161 1.00 0.00 C ATOM 1356 CD1 TRP A 93 60.840 -2.073 0.951 1.00 0.00 C ATOM 1357 CD2 TRP A 93 61.265 -0.161 -0.153 1.00 0.00 C ATOM 1358 NE1 TRP A 93 60.848 -2.317 -0.413 1.00 0.00 N ATOM 1359 CE2 TRP A 93 61.106 -1.167 -1.135 1.00 0.00 C ATOM 1360 CE3 TRP A 93 61.544 1.146 -0.581 1.00 0.00 C ATOM 1361 CZ2 TRP A 93 61.216 -0.880 -2.498 1.00 0.00 C ATOM 1362 CZ3 TRP A 93 61.660 1.439 -1.950 1.00 0.00 C ATOM 1363 CH2 TRP A 93 61.493 0.428 -2.906 1.00 0.00 C ATOM 0 H TRP A 93 62.735 -1.741 3.530 1.00 0.00 H new ATOM 0 HA TRP A 93 63.075 0.699 1.984 1.00 0.00 H new ATOM 0 HB2 TRP A 93 60.727 -0.761 3.259 1.00 0.00 H new ATOM 0 HB3 TRP A 93 60.510 0.799 2.491 1.00 0.00 H new ATOM 0 HD1 TRP A 93 60.666 -2.811 1.720 1.00 0.00 H new ATOM 0 HE1 TRP A 93 60.684 -3.232 -0.832 1.00 0.00 H new ATOM 0 HE3 TRP A 93 61.671 1.933 0.148 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 61.088 -1.663 -3.231 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 61.879 2.448 -2.267 1.00 0.00 H new ATOM 0 HH2 TRP A 93 61.578 0.659 -3.957 1.00 0.00 H new ATOM 1374 N VAL A 94 62.640 2.595 3.658 1.00 0.00 N ATOM 1375 CA VAL A 94 62.615 3.670 4.707 1.00 0.00 C ATOM 1376 C VAL A 94 61.349 4.505 4.544 1.00 0.00 C ATOM 1377 O VAL A 94 61.098 5.067 3.493 1.00 0.00 O ATOM 1378 CB VAL A 94 63.836 4.577 4.547 1.00 0.00 C ATOM 1379 CG1 VAL A 94 63.814 5.674 5.621 1.00 0.00 C ATOM 1380 CG2 VAL A 94 65.103 3.742 4.705 1.00 0.00 C ATOM 0 H VAL A 94 62.726 2.934 2.700 1.00 0.00 H new ATOM 0 HA VAL A 94 62.631 3.209 5.695 1.00 0.00 H new ATOM 0 HB VAL A 94 63.817 5.040 3.560 1.00 0.00 H new ATOM 0 HG11 VAL A 94 64.686 6.317 5.502 1.00 0.00 H new ATOM 0 HG12 VAL A 94 62.907 6.269 5.515 1.00 0.00 H new ATOM 0 HG13 VAL A 94 63.833 5.216 6.610 1.00 0.00 H new ATOM 0 HG21 VAL A 94 65.977 4.383 4.592 1.00 0.00 H new ATOM 0 HG22 VAL A 94 65.115 3.283 5.693 1.00 0.00 H new ATOM 0 HG23 VAL A 94 65.123 2.963 3.943 1.00 0.00 H new ATOM 1390 N GLY A 95 60.560 4.600 5.585 1.00 0.00 N ATOM 1391 CA GLY A 95 59.298 5.402 5.532 1.00 0.00 C ATOM 1392 C GLY A 95 58.101 4.470 5.723 1.00 0.00 C ATOM 1393 O GLY A 95 56.963 4.896 5.725 1.00 0.00 O ATOM 0 H GLY A 95 60.739 4.149 6.482 1.00 0.00 H new ATOM 0 HA2 GLY A 95 59.306 6.167 6.309 1.00 0.00 H new ATOM 0 HA3 GLY A 95 59.222 5.920 4.576 1.00 0.00 H new