USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 715 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 7 THR OG1 : rot -133:sc= -2.67 USER MOD Set 1.2: A 91 THR OG1 : rot 180:sc= 0.857 USER MOD Set 2.1: A 23 TYR OH : rot 120:sc= 1.56 USER MOD Set 2.2: A 28 MET CE :methyl -156:sc= -2.31! (180deg=-4.13!) USER MOD Single : A 1 VAL N :NH3+ -160:sc= -0.155 (180deg=-0.748) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.2 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 96:sc= 0.197 USER MOD Single : A 13 ASN : amide:sc= 0.233 K(o=0.23,f=-13!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 70:sc= -2.25 USER MOD Single : A 36 HIS : no HD1:sc= -0.929 K(o=-0.93,f=-1.6) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl -133:sc= -0.158 (180deg=-1.61) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot -128:sc= 1.21 USER MOD Single : A 56 SER OG : rot 107:sc= 1.18 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 ASN : amide:sc= -3.46! C(o=-3.5!,f=-3.5!) USER MOD Single : A 70 THR OG1 : rot -79:sc= 0.272! USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -0.134 K(o=-0.13,f=-0.8) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.12 USER MOD Single : A 92 TYR OH : rot 126:sc= 1.15 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 2.098 8.450 27.325 1.00 0.00 N ATOM 2 CA VAL A 1 1.527 9.768 27.722 1.00 0.00 C ATOM 3 C VAL A 1 2.420 10.433 28.763 1.00 0.00 C ATOM 4 O VAL A 1 2.247 10.225 29.964 1.00 0.00 O ATOM 5 CB VAL A 1 0.116 9.604 28.284 1.00 0.00 C ATOM 6 CG1 VAL A 1 -0.598 10.952 28.341 1.00 0.00 C ATOM 7 CG2 VAL A 1 -0.683 8.612 27.445 1.00 0.00 C ATOM 0 H1 VAL A 1 1.702 8.162 26.408 1.00 0.00 H new ATOM 0 H2 VAL A 1 3.132 8.529 27.246 1.00 0.00 H new ATOM 0 H3 VAL A 1 1.860 7.738 28.044 1.00 0.00 H new ATOM 0 HA VAL A 1 1.476 10.397 26.833 1.00 0.00 H new ATOM 0 HB VAL A 1 0.194 9.212 29.298 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -1.602 10.815 28.744 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -0.039 11.633 28.983 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -0.664 11.371 27.337 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -1.685 8.508 27.861 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -0.751 8.975 26.419 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -0.184 7.643 27.454 1.00 0.00 H new ATOM 19 N PRO A 2 3.393 11.246 28.313 1.00 0.00 N ATOM 20 CA PRO A 2 4.320 11.945 29.214 1.00 0.00 C ATOM 21 C PRO A 2 3.668 13.149 29.885 1.00 0.00 C ATOM 22 O PRO A 2 2.652 13.659 29.415 1.00 0.00 O ATOM 23 CB PRO A 2 5.456 12.386 28.302 1.00 0.00 C ATOM 24 CG PRO A 2 4.860 12.478 26.934 1.00 0.00 C ATOM 25 CD PRO A 2 3.669 11.548 26.898 1.00 0.00 C ATOM 0 HA PRO A 2 4.651 11.305 30.032 1.00 0.00 H new ATOM 0 HB2 PRO A 2 5.862 13.347 28.618 1.00 0.00 H new ATOM 0 HB3 PRO A 2 6.277 11.670 28.324 1.00 0.00 H new ATOM 0 HG2 PRO A 2 4.555 13.501 26.716 1.00 0.00 H new ATOM 0 HG3 PRO A 2 5.591 12.195 26.177 1.00 0.00 H new ATOM 0 HD2 PRO A 2 2.811 12.020 26.418 1.00 0.00 H new ATOM 0 HD3 PRO A 2 3.890 10.641 26.335 1.00 0.00 H new ATOM 33 N LYS A 3 4.261 13.599 30.987 1.00 0.00 N ATOM 34 CA LYS A 3 3.739 14.746 31.724 1.00 0.00 C ATOM 35 C LYS A 3 4.880 15.615 32.230 1.00 0.00 C ATOM 36 O LYS A 3 5.089 15.738 33.437 1.00 0.00 O ATOM 37 CB LYS A 3 2.899 14.272 32.902 1.00 0.00 C ATOM 38 CG LYS A 3 1.814 13.296 32.456 1.00 0.00 C ATOM 39 CD LYS A 3 0.915 12.896 33.623 1.00 0.00 C ATOM 40 CE LYS A 3 1.003 11.398 33.899 1.00 0.00 C ATOM 41 NZ LYS A 3 0.148 11.007 35.057 1.00 0.00 N ATOM 0 H LYS A 3 5.103 13.187 31.389 1.00 0.00 H new ATOM 0 HA LYS A 3 3.116 15.335 31.050 1.00 0.00 H new ATOM 0 HB2 LYS A 3 3.542 13.791 33.639 1.00 0.00 H new ATOM 0 HB3 LYS A 3 2.439 15.130 33.392 1.00 0.00 H new ATOM 0 HG2 LYS A 3 1.212 13.752 31.670 1.00 0.00 H new ATOM 0 HG3 LYS A 3 2.276 12.406 32.028 1.00 0.00 H new ATOM 0 HD2 LYS A 3 1.205 13.451 34.515 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -0.117 13.167 33.400 1.00 0.00 H new ATOM 0 HE2 LYS A 3 0.693 10.844 33.013 1.00 0.00 H new ATOM 0 HE3 LYS A 3 2.039 11.124 34.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 0.230 9.983 35.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 0.460 11.518 35.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -0.843 11.247 34.853 1.00 0.00 H new ATOM 55 N VAL A 4 5.609 16.216 31.296 1.00 0.00 N ATOM 56 CA VAL A 4 6.737 17.087 31.613 1.00 0.00 C ATOM 57 C VAL A 4 7.616 16.482 32.699 1.00 0.00 C ATOM 58 O VAL A 4 7.435 15.331 33.097 1.00 0.00 O ATOM 59 CB VAL A 4 6.229 18.456 32.048 1.00 0.00 C ATOM 60 CG1 VAL A 4 5.332 19.056 30.970 1.00 0.00 C ATOM 61 CG2 VAL A 4 5.485 18.368 33.378 1.00 0.00 C ATOM 0 H VAL A 4 5.435 16.113 30.296 1.00 0.00 H new ATOM 0 HA VAL A 4 7.345 17.197 30.715 1.00 0.00 H new ATOM 0 HB VAL A 4 7.090 19.109 32.188 1.00 0.00 H new ATOM 0 HG11 VAL A 4 4.977 20.034 31.295 1.00 0.00 H new ATOM 0 HG12 VAL A 4 5.898 19.165 30.045 1.00 0.00 H new ATOM 0 HG13 VAL A 4 4.479 18.399 30.799 1.00 0.00 H new ATOM 0 HG21 VAL A 4 5.133 19.359 33.665 1.00 0.00 H new ATOM 0 HG22 VAL A 4 4.633 17.697 33.274 1.00 0.00 H new ATOM 0 HG23 VAL A 4 6.157 17.985 34.146 1.00 0.00 H new ATOM 71 N THR A 5 8.577 17.268 33.167 1.00 0.00 N ATOM 72 CA THR A 5 9.499 16.822 34.205 1.00 0.00 C ATOM 73 C THR A 5 10.482 17.931 34.550 1.00 0.00 C ATOM 74 O THR A 5 10.999 18.615 33.666 1.00 0.00 O ATOM 75 CB THR A 5 10.261 15.586 33.734 1.00 0.00 C ATOM 76 OG1 THR A 5 10.306 15.553 32.316 1.00 0.00 O ATOM 77 CG2 THR A 5 9.612 14.312 34.267 1.00 0.00 C ATOM 0 H THR A 5 8.739 18.221 32.843 1.00 0.00 H new ATOM 0 HA THR A 5 8.923 16.570 35.096 1.00 0.00 H new ATOM 0 HB THR A 5 11.278 15.641 34.123 1.00 0.00 H new ATOM 0 HG1 THR A 5 10.798 14.758 32.023 1.00 0.00 H new ATOM 0 HG21 THR A 5 10.173 13.445 33.918 1.00 0.00 H new ATOM 0 HG22 THR A 5 9.614 14.331 35.357 1.00 0.00 H new ATOM 0 HG23 THR A 5 8.585 14.249 33.907 1.00 0.00 H new ATOM 85 N PHE A 6 10.740 18.104 35.842 1.00 0.00 N ATOM 86 CA PHE A 6 11.666 19.130 36.308 1.00 0.00 C ATOM 87 C PHE A 6 12.864 18.482 36.989 1.00 0.00 C ATOM 88 O PHE A 6 12.933 17.260 37.107 1.00 0.00 O ATOM 89 CB PHE A 6 10.957 20.068 37.279 1.00 0.00 C ATOM 90 CG PHE A 6 9.624 20.548 36.760 1.00 0.00 C ATOM 91 CD1 PHE A 6 8.537 19.688 36.743 1.00 0.00 C ATOM 92 CD2 PHE A 6 9.485 21.848 36.302 1.00 0.00 C ATOM 93 CE1 PHE A 6 7.313 20.129 36.269 1.00 0.00 C ATOM 94 CE2 PHE A 6 8.261 22.288 35.829 1.00 0.00 C ATOM 95 CZ PHE A 6 7.175 21.429 35.812 1.00 0.00 C ATOM 0 H PHE A 6 10.320 17.546 36.586 1.00 0.00 H new ATOM 0 HA PHE A 6 12.017 19.706 35.452 1.00 0.00 H new ATOM 0 HB2 PHE A 6 10.808 19.555 38.229 1.00 0.00 H new ATOM 0 HB3 PHE A 6 11.596 20.929 37.478 1.00 0.00 H new ATOM 0 HD1 PHE A 6 8.645 18.674 37.099 1.00 0.00 H new ATOM 0 HD2 PHE A 6 10.332 22.518 36.314 1.00 0.00 H new ATOM 0 HE1 PHE A 6 6.466 19.459 36.256 1.00 0.00 H new ATOM 0 HE2 PHE A 6 8.153 23.302 35.473 1.00 0.00 H new ATOM 0 HZ PHE A 6 6.220 21.773 35.442 1.00 0.00 H new ATOM 105 N THR A 7 13.808 19.305 37.435 1.00 0.00 N ATOM 106 CA THR A 7 15.005 18.804 38.104 1.00 0.00 C ATOM 107 C THR A 7 15.716 19.931 38.840 1.00 0.00 C ATOM 108 O THR A 7 16.069 20.949 38.246 1.00 0.00 O ATOM 109 CB THR A 7 15.951 18.177 37.083 1.00 0.00 C ATOM 110 OG1 THR A 7 15.270 17.175 36.342 1.00 0.00 O ATOM 111 CG2 THR A 7 17.173 17.577 37.772 1.00 0.00 C ATOM 0 H THR A 7 13.768 20.320 37.346 1.00 0.00 H new ATOM 0 HA THR A 7 14.705 18.047 38.828 1.00 0.00 H new ATOM 0 HB THR A 7 16.290 18.959 36.403 1.00 0.00 H new ATOM 0 HG1 THR A 7 15.823 16.367 36.300 1.00 0.00 H new ATOM 0 HG21 THR A 7 17.832 17.136 37.024 1.00 0.00 H new ATOM 0 HG22 THR A 7 17.707 18.359 38.311 1.00 0.00 H new ATOM 0 HG23 THR A 7 16.853 16.806 38.473 1.00 0.00 H new ATOM 119 N VAL A 8 15.923 19.739 40.139 1.00 0.00 N ATOM 120 CA VAL A 8 16.593 20.737 40.965 1.00 0.00 C ATOM 121 C VAL A 8 17.989 21.025 40.425 1.00 0.00 C ATOM 122 O VAL A 8 18.960 20.372 40.807 1.00 0.00 O ATOM 123 CB VAL A 8 16.682 20.241 42.406 1.00 0.00 C ATOM 124 CG1 VAL A 8 17.407 21.261 43.279 1.00 0.00 C ATOM 125 CG2 VAL A 8 15.288 19.955 42.960 1.00 0.00 C ATOM 0 H VAL A 8 15.636 18.900 40.643 1.00 0.00 H new ATOM 0 HA VAL A 8 16.014 21.660 40.939 1.00 0.00 H new ATOM 0 HB VAL A 8 17.253 19.313 42.416 1.00 0.00 H new ATOM 0 HG11 VAL A 8 17.461 20.891 44.303 1.00 0.00 H new ATOM 0 HG12 VAL A 8 18.415 21.417 42.896 1.00 0.00 H new ATOM 0 HG13 VAL A 8 16.863 22.205 43.263 1.00 0.00 H new ATOM 0 HG21 VAL A 8 15.370 19.602 43.988 1.00 0.00 H new ATOM 0 HG22 VAL A 8 14.693 20.868 42.936 1.00 0.00 H new ATOM 0 HG23 VAL A 8 14.805 19.190 42.352 1.00 0.00 H new ATOM 135 N GLU A 9 18.081 22.008 39.535 1.00 0.00 N ATOM 136 CA GLU A 9 19.357 22.388 38.937 1.00 0.00 C ATOM 137 C GLU A 9 20.346 22.810 40.017 1.00 0.00 C ATOM 138 O GLU A 9 20.003 22.870 41.197 1.00 0.00 O ATOM 139 CB GLU A 9 19.147 23.536 37.951 1.00 0.00 C ATOM 140 CG GLU A 9 19.367 23.085 36.508 1.00 0.00 C ATOM 141 CD GLU A 9 20.729 22.419 36.360 1.00 0.00 C ATOM 142 OE1 GLU A 9 21.724 23.142 36.142 1.00 0.00 O ATOM 143 OE2 GLU A 9 20.800 21.176 36.464 1.00 0.00 O ATOM 0 H GLU A 9 17.285 22.557 39.211 1.00 0.00 H new ATOM 0 HA GLU A 9 19.764 21.527 38.407 1.00 0.00 H new ATOM 0 HB2 GLU A 9 18.136 23.930 38.060 1.00 0.00 H new ATOM 0 HB3 GLU A 9 19.833 24.349 38.187 1.00 0.00 H new ATOM 0 HG2 GLU A 9 18.581 22.389 36.214 1.00 0.00 H new ATOM 0 HG3 GLU A 9 19.300 23.942 35.838 1.00 0.00 H new ATOM 150 N LYS A 10 21.577 23.103 39.606 1.00 0.00 N ATOM 151 CA LYS A 10 22.618 23.523 40.539 1.00 0.00 C ATOM 152 C LYS A 10 22.312 24.914 41.080 1.00 0.00 C ATOM 153 O LYS A 10 21.609 25.697 40.441 1.00 0.00 O ATOM 154 CB LYS A 10 23.975 23.525 39.842 1.00 0.00 C ATOM 155 CG LYS A 10 24.610 22.137 39.857 1.00 0.00 C ATOM 156 CD LYS A 10 26.048 22.191 40.367 1.00 0.00 C ATOM 157 CE LYS A 10 27.043 22.261 39.212 1.00 0.00 C ATOM 158 NZ LYS A 10 28.444 22.352 39.711 1.00 0.00 N ATOM 0 H LYS A 10 21.878 23.057 38.632 1.00 0.00 H new ATOM 0 HA LYS A 10 22.646 22.819 41.371 1.00 0.00 H new ATOM 0 HB2 LYS A 10 23.856 23.862 38.812 1.00 0.00 H new ATOM 0 HB3 LYS A 10 24.638 24.236 40.335 1.00 0.00 H new ATOM 0 HG2 LYS A 10 24.022 21.472 40.490 1.00 0.00 H new ATOM 0 HG3 LYS A 10 24.594 21.716 38.852 1.00 0.00 H new ATOM 0 HD2 LYS A 10 26.175 23.060 41.012 1.00 0.00 H new ATOM 0 HD3 LYS A 10 26.254 21.310 40.975 1.00 0.00 H new ATOM 0 HE2 LYS A 10 26.935 21.378 38.582 1.00 0.00 H new ATOM 0 HE3 LYS A 10 26.820 23.127 38.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 29.098 22.398 38.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 28.551 23.208 40.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 28.663 21.514 40.286 1.00 0.00 H new ATOM 172 N GLY A 11 22.842 25.218 42.260 1.00 0.00 N ATOM 173 CA GLY A 11 22.624 26.518 42.885 1.00 0.00 C ATOM 174 C GLY A 11 21.600 26.415 44.007 1.00 0.00 C ATOM 175 O GLY A 11 21.689 27.125 45.008 1.00 0.00 O ATOM 0 H GLY A 11 23.426 24.582 42.803 1.00 0.00 H new ATOM 0 HA2 GLY A 11 23.566 26.899 43.280 1.00 0.00 H new ATOM 0 HA3 GLY A 11 22.280 27.233 42.137 1.00 0.00 H new ATOM 179 N SER A 12 20.626 25.526 43.836 1.00 0.00 N ATOM 180 CA SER A 12 19.582 25.330 44.839 1.00 0.00 C ATOM 181 C SER A 12 20.203 25.123 46.216 1.00 0.00 C ATOM 182 O SER A 12 20.861 24.112 46.463 1.00 0.00 O ATOM 183 CB SER A 12 18.723 24.124 44.469 1.00 0.00 C ATOM 184 OG SER A 12 18.061 24.344 43.233 1.00 0.00 O ATOM 0 H SER A 12 20.537 24.930 43.013 1.00 0.00 H new ATOM 0 HA SER A 12 18.954 26.220 44.868 1.00 0.00 H new ATOM 0 HB2 SER A 12 19.347 23.233 44.400 1.00 0.00 H new ATOM 0 HB3 SER A 12 17.989 23.939 45.253 1.00 0.00 H new ATOM 0 HG SER A 12 18.583 23.943 42.507 1.00 0.00 H new ATOM 190 N ASN A 13 19.998 26.087 47.110 1.00 0.00 N ATOM 191 CA ASN A 13 20.549 26.004 48.461 1.00 0.00 C ATOM 192 C ASN A 13 19.437 25.849 49.495 1.00 0.00 C ATOM 193 O ASN A 13 19.325 24.806 50.140 1.00 0.00 O ATOM 194 CB ASN A 13 21.397 27.242 48.779 1.00 0.00 C ATOM 195 CG ASN A 13 20.811 28.494 48.133 1.00 0.00 C ATOM 196 OD1 ASN A 13 19.648 28.513 47.733 1.00 0.00 O ATOM 197 ND2 ASN A 13 21.622 29.542 48.033 1.00 0.00 N ATOM 0 H ASN A 13 19.457 26.932 46.925 1.00 0.00 H new ATOM 0 HA ASN A 13 21.188 25.122 48.507 1.00 0.00 H new ATOM 0 HB2 ASN A 13 21.454 27.379 49.859 1.00 0.00 H new ATOM 0 HB3 ASN A 13 22.416 27.089 48.423 1.00 0.00 H new ATOM 0 HD21 ASN A 13 21.287 30.408 47.611 1.00 0.00 H new ATOM 0 HD22 ASN A 13 22.580 29.481 48.379 1.00 0.00 H new ATOM 204 N GLU A 14 18.618 26.885 49.658 1.00 0.00 N ATOM 205 CA GLU A 14 17.525 26.847 50.624 1.00 0.00 C ATOM 206 C GLU A 14 16.284 27.539 50.070 1.00 0.00 C ATOM 207 O GLU A 14 15.182 26.993 50.129 1.00 0.00 O ATOM 208 CB GLU A 14 17.960 27.517 51.924 1.00 0.00 C ATOM 209 CG GLU A 14 18.426 28.950 51.684 1.00 0.00 C ATOM 210 CD GLU A 14 19.345 29.402 52.812 1.00 0.00 C ATOM 211 OE1 GLU A 14 20.263 28.636 53.174 1.00 0.00 O ATOM 212 OE2 GLU A 14 19.145 30.520 53.331 1.00 0.00 O ATOM 0 H GLU A 14 18.690 27.758 49.135 1.00 0.00 H new ATOM 0 HA GLU A 14 17.275 25.804 50.821 1.00 0.00 H new ATOM 0 HB2 GLU A 14 17.130 27.516 52.631 1.00 0.00 H new ATOM 0 HB3 GLU A 14 18.767 26.942 52.379 1.00 0.00 H new ATOM 0 HG2 GLU A 14 18.950 29.014 50.731 1.00 0.00 H new ATOM 0 HG3 GLU A 14 17.564 29.614 51.619 1.00 0.00 H new ATOM 219 N LYS A 15 16.464 28.743 49.533 1.00 0.00 N ATOM 220 CA LYS A 15 15.348 29.503 48.971 1.00 0.00 C ATOM 221 C LYS A 15 15.380 29.451 47.450 1.00 0.00 C ATOM 222 O LYS A 15 14.340 29.337 46.802 1.00 0.00 O ATOM 223 CB LYS A 15 15.399 30.956 49.446 1.00 0.00 C ATOM 224 CG LYS A 15 16.833 31.482 49.505 1.00 0.00 C ATOM 225 CD LYS A 15 16.870 33.006 49.541 1.00 0.00 C ATOM 226 CE LYS A 15 15.945 33.562 50.620 1.00 0.00 C ATOM 227 NZ LYS A 15 16.345 34.941 51.020 1.00 0.00 N ATOM 0 H LYS A 15 17.367 29.213 49.475 1.00 0.00 H new ATOM 0 HA LYS A 15 14.418 29.052 49.317 1.00 0.00 H new ATOM 0 HB2 LYS A 15 14.810 31.580 48.773 1.00 0.00 H new ATOM 0 HB3 LYS A 15 14.943 31.032 50.433 1.00 0.00 H new ATOM 0 HG2 LYS A 15 17.331 31.084 50.389 1.00 0.00 H new ATOM 0 HG3 LYS A 15 17.389 31.124 48.638 1.00 0.00 H new ATOM 0 HD2 LYS A 15 17.890 33.342 49.726 1.00 0.00 H new ATOM 0 HD3 LYS A 15 16.576 33.401 48.569 1.00 0.00 H new ATOM 0 HE2 LYS A 15 14.919 33.571 50.253 1.00 0.00 H new ATOM 0 HE3 LYS A 15 15.966 32.908 51.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 15.697 35.291 51.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 17.316 34.927 51.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 16.301 35.569 50.192 1.00 0.00 H new ATOM 241 N HIS A 16 16.579 29.530 46.882 1.00 0.00 N ATOM 242 CA HIS A 16 16.742 29.487 45.434 1.00 0.00 C ATOM 243 C HIS A 16 16.332 28.119 44.908 1.00 0.00 C ATOM 244 O HIS A 16 17.010 27.122 45.152 1.00 0.00 O ATOM 245 CB HIS A 16 18.194 29.777 45.063 1.00 0.00 C ATOM 246 CG HIS A 16 18.469 31.239 44.894 1.00 0.00 C ATOM 247 ND1 HIS A 16 18.383 32.144 45.919 1.00 0.00 N ATOM 248 CD2 HIS A 16 18.834 31.972 43.810 1.00 0.00 C ATOM 249 CE1 HIS A 16 18.673 33.355 45.504 1.00 0.00 C ATOM 250 NE2 HIS A 16 18.956 33.289 44.214 1.00 0.00 N ATOM 0 H HIS A 16 17.451 29.624 47.402 1.00 0.00 H new ATOM 0 HA HIS A 16 16.105 30.247 44.982 1.00 0.00 H new ATOM 0 HB2 HIS A 16 18.849 29.376 45.837 1.00 0.00 H new ATOM 0 HB3 HIS A 16 18.438 29.257 44.137 1.00 0.00 H new ATOM 0 HD2 HIS A 16 18.999 31.594 42.812 1.00 0.00 H new ATOM 0 HE1 HIS A 16 18.679 34.249 46.110 1.00 0.00 H new ATOM 0 HE2 HIS A 16 19.219 34.075 43.619 1.00 0.00 H new ATOM 258 N LEU A 17 15.215 28.073 44.192 1.00 0.00 N ATOM 259 CA LEU A 17 14.716 26.820 43.638 1.00 0.00 C ATOM 260 C LEU A 17 14.926 26.785 42.132 1.00 0.00 C ATOM 261 O LEU A 17 14.105 27.293 41.368 1.00 0.00 O ATOM 262 CB LEU A 17 13.232 26.661 43.966 1.00 0.00 C ATOM 263 CG LEU A 17 12.866 25.202 44.231 1.00 0.00 C ATOM 264 CD1 LEU A 17 12.984 24.378 42.952 1.00 0.00 C ATOM 265 CD2 LEU A 17 13.744 24.612 45.332 1.00 0.00 C ATOM 0 H LEU A 17 14.638 28.887 43.982 1.00 0.00 H new ATOM 0 HA LEU A 17 15.270 25.994 44.084 1.00 0.00 H new ATOM 0 HB2 LEU A 17 12.986 27.263 44.841 1.00 0.00 H new ATOM 0 HB3 LEU A 17 12.633 27.042 43.139 1.00 0.00 H new ATOM 0 HG LEU A 17 11.830 25.168 44.568 1.00 0.00 H new ATOM 0 HD11 LEU A 17 12.719 23.342 43.161 1.00 0.00 H new ATOM 0 HD12 LEU A 17 12.308 24.780 42.197 1.00 0.00 H new ATOM 0 HD13 LEU A 17 14.009 24.423 42.583 1.00 0.00 H new ATOM 0 HD21 LEU A 17 13.464 23.572 45.503 1.00 0.00 H new ATOM 0 HD22 LEU A 17 14.790 24.661 45.029 1.00 0.00 H new ATOM 0 HD23 LEU A 17 13.606 25.180 46.252 1.00 0.00 H new ATOM 277 N ALA A 18 16.033 26.183 41.711 1.00 0.00 N ATOM 278 CA ALA A 18 16.356 26.079 40.292 1.00 0.00 C ATOM 279 C ALA A 18 15.887 24.740 39.738 1.00 0.00 C ATOM 280 O ALA A 18 16.312 23.683 40.203 1.00 0.00 O ATOM 281 CB ALA A 18 17.862 26.226 40.089 1.00 0.00 C ATOM 0 H ALA A 18 16.722 25.759 42.332 1.00 0.00 H new ATOM 0 HA ALA A 18 15.843 26.878 39.757 1.00 0.00 H new ATOM 0 HB1 ALA A 18 18.095 26.147 39.027 1.00 0.00 H new ATOM 0 HB2 ALA A 18 18.186 27.198 40.461 1.00 0.00 H new ATOM 0 HB3 ALA A 18 18.381 25.438 40.634 1.00 0.00 H new ATOM 287 N VAL A 19 15.009 24.791 38.742 1.00 0.00 N ATOM 288 CA VAL A 19 14.483 23.579 38.122 1.00 0.00 C ATOM 289 C VAL A 19 14.943 23.487 36.671 1.00 0.00 C ATOM 290 O VAL A 19 15.059 24.501 35.982 1.00 0.00 O ATOM 291 CB VAL A 19 12.958 23.577 38.190 1.00 0.00 C ATOM 292 CG1 VAL A 19 12.485 23.708 39.635 1.00 0.00 C ATOM 293 CG2 VAL A 19 12.380 24.701 37.337 1.00 0.00 C ATOM 0 H VAL A 19 14.646 25.658 38.346 1.00 0.00 H new ATOM 0 HA VAL A 19 14.862 22.713 38.665 1.00 0.00 H new ATOM 0 HB VAL A 19 12.600 22.626 37.794 1.00 0.00 H new ATOM 0 HG11 VAL A 19 11.395 23.705 39.663 1.00 0.00 H new ATOM 0 HG12 VAL A 19 12.866 22.871 40.220 1.00 0.00 H new ATOM 0 HG13 VAL A 19 12.856 24.643 40.056 1.00 0.00 H new ATOM 0 HG21 VAL A 19 11.292 24.682 37.399 1.00 0.00 H new ATOM 0 HG22 VAL A 19 12.748 25.660 37.701 1.00 0.00 H new ATOM 0 HG23 VAL A 19 12.687 24.565 36.300 1.00 0.00 H new ATOM 303 N LEU A 20 15.209 22.269 36.214 1.00 0.00 N ATOM 304 CA LEU A 20 15.663 22.046 34.846 1.00 0.00 C ATOM 305 C LEU A 20 14.497 21.645 33.948 1.00 0.00 C ATOM 306 O LEU A 20 14.482 20.546 33.394 1.00 0.00 O ATOM 307 CB LEU A 20 16.730 20.955 34.826 1.00 0.00 C ATOM 308 CG LEU A 20 17.781 21.227 33.753 1.00 0.00 C ATOM 309 CD1 LEU A 20 18.959 20.268 33.901 1.00 0.00 C ATOM 310 CD2 LEU A 20 17.170 21.111 32.360 1.00 0.00 C ATOM 0 H LEU A 20 15.118 21.420 36.771 1.00 0.00 H new ATOM 0 HA LEU A 20 16.087 22.976 34.467 1.00 0.00 H new ATOM 0 HB2 LEU A 20 17.211 20.896 35.802 1.00 0.00 H new ATOM 0 HB3 LEU A 20 16.261 19.988 34.642 1.00 0.00 H new ATOM 0 HG LEU A 20 18.147 22.245 33.884 1.00 0.00 H new ATOM 0 HD11 LEU A 20 19.698 20.477 33.127 1.00 0.00 H new ATOM 0 HD12 LEU A 20 19.414 20.400 34.883 1.00 0.00 H new ATOM 0 HD13 LEU A 20 18.607 19.241 33.799 1.00 0.00 H new ATOM 0 HD21 LEU A 20 17.935 21.308 31.609 1.00 0.00 H new ATOM 0 HD22 LEU A 20 16.774 20.105 32.219 1.00 0.00 H new ATOM 0 HD23 LEU A 20 16.363 21.836 32.255 1.00 0.00 H new ATOM 322 N VAL A 21 13.523 22.540 33.801 1.00 0.00 N ATOM 323 CA VAL A 21 12.361 22.267 32.961 1.00 0.00 C ATOM 324 C VAL A 21 12.697 22.537 31.497 1.00 0.00 C ATOM 325 O VAL A 21 13.162 23.621 31.143 1.00 0.00 O ATOM 326 CB VAL A 21 11.171 23.122 33.403 1.00 0.00 C ATOM 327 CG1 VAL A 21 11.562 24.585 33.485 1.00 0.00 C ATOM 328 CG2 VAL A 21 9.981 22.932 32.464 1.00 0.00 C ATOM 0 H VAL A 21 13.515 23.456 34.250 1.00 0.00 H new ATOM 0 HA VAL A 21 12.089 21.217 33.069 1.00 0.00 H new ATOM 0 HB VAL A 21 10.871 22.792 34.398 1.00 0.00 H new ATOM 0 HG11 VAL A 21 10.701 25.174 33.801 1.00 0.00 H new ATOM 0 HG12 VAL A 21 12.369 24.706 34.207 1.00 0.00 H new ATOM 0 HG13 VAL A 21 11.897 24.928 32.506 1.00 0.00 H new ATOM 0 HG21 VAL A 21 9.149 23.551 32.801 1.00 0.00 H new ATOM 0 HG22 VAL A 21 10.265 23.225 31.453 1.00 0.00 H new ATOM 0 HG23 VAL A 21 9.679 21.885 32.467 1.00 0.00 H new ATOM 338 N LYS A 22 12.464 21.542 30.650 1.00 0.00 N ATOM 339 CA LYS A 22 12.744 21.669 29.224 1.00 0.00 C ATOM 340 C LYS A 22 12.083 20.536 28.453 1.00 0.00 C ATOM 341 O LYS A 22 11.159 20.764 27.673 1.00 0.00 O ATOM 342 CB LYS A 22 14.251 21.651 28.985 1.00 0.00 C ATOM 343 CG LYS A 22 14.605 22.276 27.639 1.00 0.00 C ATOM 344 CD LYS A 22 16.087 22.633 27.570 1.00 0.00 C ATOM 345 CE LYS A 22 16.709 22.159 26.259 1.00 0.00 C ATOM 346 NZ LYS A 22 16.738 23.252 25.247 1.00 0.00 N ATOM 0 H LYS A 22 12.082 20.637 30.925 1.00 0.00 H new ATOM 0 HA LYS A 22 12.338 22.617 28.871 1.00 0.00 H new ATOM 0 HB2 LYS A 22 14.755 22.194 29.785 1.00 0.00 H new ATOM 0 HB3 LYS A 22 14.615 20.624 29.019 1.00 0.00 H new ATOM 0 HG2 LYS A 22 14.358 21.582 26.836 1.00 0.00 H new ATOM 0 HG3 LYS A 22 14.005 23.172 27.482 1.00 0.00 H new ATOM 0 HD2 LYS A 22 16.208 23.712 27.664 1.00 0.00 H new ATOM 0 HD3 LYS A 22 16.613 22.179 28.410 1.00 0.00 H new ATOM 0 HE2 LYS A 22 17.723 21.804 26.443 1.00 0.00 H new ATOM 0 HE3 LYS A 22 16.141 21.314 25.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 17.166 22.899 24.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 15.768 23.573 25.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 17.301 24.047 25.611 1.00 0.00 H new ATOM 360 N TYR A 23 12.566 19.313 28.681 1.00 0.00 N ATOM 361 CA TYR A 23 12.032 18.121 28.018 1.00 0.00 C ATOM 362 C TYR A 23 11.828 18.373 26.524 1.00 0.00 C ATOM 363 O TYR A 23 12.228 19.411 25.999 1.00 0.00 O ATOM 364 CB TYR A 23 10.715 17.703 28.675 1.00 0.00 C ATOM 365 CG TYR A 23 9.736 18.835 28.815 1.00 0.00 C ATOM 366 CD1 TYR A 23 8.878 19.142 27.774 1.00 0.00 C ATOM 367 CD2 TYR A 23 9.693 19.572 29.985 1.00 0.00 C ATOM 368 CE1 TYR A 23 7.979 20.185 27.903 1.00 0.00 C ATOM 369 CE2 TYR A 23 8.793 20.614 30.113 1.00 0.00 C ATOM 370 CZ TYR A 23 7.940 20.916 29.072 1.00 0.00 C ATOM 371 OH TYR A 23 7.045 21.954 29.200 1.00 0.00 O ATOM 0 H TYR A 23 13.333 19.121 29.326 1.00 0.00 H new ATOM 0 HA TYR A 23 12.754 17.312 28.127 1.00 0.00 H new ATOM 0 HB2 TYR A 23 10.259 16.908 28.085 1.00 0.00 H new ATOM 0 HB3 TYR A 23 10.924 17.288 29.661 1.00 0.00 H new ATOM 0 HD1 TYR A 23 8.910 18.567 26.860 1.00 0.00 H new ATOM 0 HD2 TYR A 23 10.362 19.334 30.798 1.00 0.00 H new ATOM 0 HE1 TYR A 23 7.309 20.426 27.091 1.00 0.00 H new ATOM 0 HE2 TYR A 23 8.758 21.190 31.026 1.00 0.00 H new ATOM 0 HH TYR A 23 6.443 21.776 29.952 1.00 0.00 H new ATOM 381 N GLU A 24 11.212 17.412 25.842 1.00 0.00 N ATOM 382 CA GLU A 24 10.963 17.530 24.409 1.00 0.00 C ATOM 383 C GLU A 24 9.472 17.414 24.119 1.00 0.00 C ATOM 384 O GLU A 24 8.668 17.200 25.026 1.00 0.00 O ATOM 385 CB GLU A 24 11.727 16.443 23.661 1.00 0.00 C ATOM 386 CG GLU A 24 11.225 15.053 24.040 1.00 0.00 C ATOM 387 CD GLU A 24 11.776 14.011 23.075 1.00 0.00 C ATOM 388 OE1 GLU A 24 11.517 14.130 21.859 1.00 0.00 O ATOM 389 OE2 GLU A 24 12.466 13.078 23.537 1.00 0.00 O ATOM 0 H GLU A 24 10.876 16.543 26.258 1.00 0.00 H new ATOM 0 HA GLU A 24 11.308 18.507 24.071 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.617 16.592 22.587 1.00 0.00 H new ATOM 0 HB3 GLU A 24 12.791 16.522 23.886 1.00 0.00 H new ATOM 0 HG2 GLU A 24 11.531 14.813 25.058 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.135 15.035 24.022 1.00 0.00 H new ATOM 396 N GLY A 25 9.109 17.554 22.848 1.00 0.00 N ATOM 397 CA GLY A 25 7.712 17.464 22.435 1.00 0.00 C ATOM 398 C GLY A 25 7.094 18.851 22.314 1.00 0.00 C ATOM 399 O GLY A 25 6.335 19.124 21.384 1.00 0.00 O ATOM 0 H GLY A 25 9.763 17.730 22.085 1.00 0.00 H new ATOM 0 HA2 GLY A 25 7.643 16.946 21.479 1.00 0.00 H new ATOM 0 HA3 GLY A 25 7.151 16.873 23.159 1.00 0.00 H new ATOM 403 N ASP A 26 7.424 19.724 23.259 1.00 0.00 N ATOM 404 CA ASP A 26 6.902 21.087 23.260 1.00 0.00 C ATOM 405 C ASP A 26 8.041 22.088 23.402 1.00 0.00 C ATOM 406 O ASP A 26 9.213 21.713 23.405 1.00 0.00 O ATOM 407 CB ASP A 26 5.908 21.263 24.404 1.00 0.00 C ATOM 408 CG ASP A 26 4.587 21.807 23.877 1.00 0.00 C ATOM 409 OD1 ASP A 26 4.528 23.011 23.548 1.00 0.00 O ATOM 410 OD2 ASP A 26 3.614 21.029 23.794 1.00 0.00 O ATOM 0 H ASP A 26 8.051 19.513 24.035 1.00 0.00 H new ATOM 0 HA ASP A 26 6.392 21.268 22.314 1.00 0.00 H new ATOM 0 HB2 ASP A 26 5.743 20.307 24.902 1.00 0.00 H new ATOM 0 HB3 ASP A 26 6.318 21.944 25.150 1.00 0.00 H new ATOM 415 N THR A 27 7.690 23.365 23.518 1.00 0.00 N ATOM 416 CA THR A 27 8.685 24.422 23.660 1.00 0.00 C ATOM 417 C THR A 27 8.592 25.062 25.039 1.00 0.00 C ATOM 418 O THR A 27 7.773 24.662 25.867 1.00 0.00 O ATOM 419 CB THR A 27 8.479 25.483 22.584 1.00 0.00 C ATOM 420 OG1 THR A 27 7.101 25.585 22.260 1.00 0.00 O ATOM 421 CG2 THR A 27 9.288 25.150 21.333 1.00 0.00 C ATOM 0 H THR A 27 6.724 23.693 23.516 1.00 0.00 H new ATOM 0 HA THR A 27 9.675 23.981 23.544 1.00 0.00 H new ATOM 0 HB THR A 27 8.827 26.440 22.973 1.00 0.00 H new ATOM 0 HG1 THR A 27 6.617 25.986 23.012 1.00 0.00 H new ATOM 0 HG21 THR A 27 9.126 25.920 20.579 1.00 0.00 H new ATOM 0 HG22 THR A 27 10.347 25.107 21.586 1.00 0.00 H new ATOM 0 HG23 THR A 27 8.969 24.185 20.940 1.00 0.00 H new ATOM 429 N MET A 28 9.438 26.057 25.281 1.00 0.00 N ATOM 430 CA MET A 28 9.458 26.756 26.561 1.00 0.00 C ATOM 431 C MET A 28 9.376 28.260 26.347 1.00 0.00 C ATOM 432 O MET A 28 10.169 28.836 25.602 1.00 0.00 O ATOM 433 CB MET A 28 10.735 26.414 27.315 1.00 0.00 C ATOM 434 CG MET A 28 10.744 24.954 27.755 1.00 0.00 C ATOM 435 SD MET A 28 10.969 24.773 29.531 1.00 0.00 S ATOM 436 CE MET A 28 9.266 24.885 30.103 1.00 0.00 C ATOM 0 H MET A 28 10.121 26.399 24.605 1.00 0.00 H new ATOM 0 HA MET A 28 8.595 26.438 27.146 1.00 0.00 H new ATOM 0 HB2 MET A 28 11.599 26.610 26.680 1.00 0.00 H new ATOM 0 HB3 MET A 28 10.829 27.060 28.188 1.00 0.00 H new ATOM 0 HG2 MET A 28 9.806 24.483 27.461 1.00 0.00 H new ATOM 0 HG3 MET A 28 11.543 24.426 27.235 1.00 0.00 H new ATOM 0 HE1 MET A 28 9.252 25.215 31.142 1.00 0.00 H new ATOM 0 HE2 MET A 28 8.722 25.601 29.488 1.00 0.00 H new ATOM 0 HE3 MET A 28 8.791 23.907 30.026 1.00 0.00 H new ATOM 446 N ALA A 29 8.415 28.893 27.009 1.00 0.00 N ATOM 447 CA ALA A 29 8.227 30.334 26.894 1.00 0.00 C ATOM 448 C ALA A 29 8.376 30.999 28.256 1.00 0.00 C ATOM 449 O ALA A 29 9.241 31.854 28.449 1.00 0.00 O ATOM 450 CB ALA A 29 6.847 30.628 26.320 1.00 0.00 C ATOM 0 H ALA A 29 7.753 28.430 27.632 1.00 0.00 H new ATOM 0 HA ALA A 29 8.988 30.736 26.226 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.710 31.706 26.236 1.00 0.00 H new ATOM 0 HB2 ALA A 29 6.759 30.173 25.334 1.00 0.00 H new ATOM 0 HB3 ALA A 29 6.083 30.216 26.980 1.00 0.00 H new ATOM 456 N GLU A 30 7.527 30.602 29.198 1.00 0.00 N ATOM 457 CA GLU A 30 7.561 31.158 30.547 1.00 0.00 C ATOM 458 C GLU A 30 7.257 30.075 31.572 1.00 0.00 C ATOM 459 O GLU A 30 6.663 29.047 31.245 1.00 0.00 O ATOM 460 CB GLU A 30 6.545 32.290 30.669 1.00 0.00 C ATOM 461 CG GLU A 30 7.152 33.508 31.361 1.00 0.00 C ATOM 462 CD GLU A 30 6.050 34.441 31.846 1.00 0.00 C ATOM 463 OE1 GLU A 30 4.954 34.430 31.247 1.00 0.00 O ATOM 464 OE2 GLU A 30 6.285 35.181 32.825 1.00 0.00 O ATOM 0 H GLU A 30 6.805 29.896 29.052 1.00 0.00 H new ATOM 0 HA GLU A 30 8.559 31.552 30.739 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.190 32.572 29.678 1.00 0.00 H new ATOM 0 HB3 GLU A 30 5.678 31.944 31.231 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.765 33.189 32.204 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.809 34.037 30.671 1.00 0.00 H new ATOM 471 N VAL A 31 7.665 30.309 32.814 1.00 0.00 N ATOM 472 CA VAL A 31 7.433 29.349 33.887 1.00 0.00 C ATOM 473 C VAL A 31 7.012 30.068 35.162 1.00 0.00 C ATOM 474 O VAL A 31 7.460 31.179 35.441 1.00 0.00 O ATOM 475 CB VAL A 31 8.699 28.532 34.141 1.00 0.00 C ATOM 476 CG1 VAL A 31 8.450 27.469 35.209 1.00 0.00 C ATOM 477 CG2 VAL A 31 9.184 27.884 32.848 1.00 0.00 C ATOM 0 H VAL A 31 8.158 31.154 33.103 1.00 0.00 H new ATOM 0 HA VAL A 31 6.630 28.677 33.585 1.00 0.00 H new ATOM 0 HB VAL A 31 9.475 29.207 34.503 1.00 0.00 H new ATOM 0 HG11 VAL A 31 9.364 26.899 35.375 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.150 27.951 36.139 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.658 26.797 34.876 1.00 0.00 H new ATOM 0 HG21 VAL A 31 10.086 27.306 33.047 1.00 0.00 H new ATOM 0 HG22 VAL A 31 8.409 27.224 32.459 1.00 0.00 H new ATOM 0 HG23 VAL A 31 9.404 28.658 32.113 1.00 0.00 H new ATOM 487 N GLU A 32 6.146 29.421 35.930 1.00 0.00 N ATOM 488 CA GLU A 32 5.652 29.976 37.179 1.00 0.00 C ATOM 489 C GLU A 32 5.577 28.856 38.216 1.00 0.00 C ATOM 490 O GLU A 32 5.027 27.790 37.948 1.00 0.00 O ATOM 491 CB GLU A 32 4.283 30.623 36.933 1.00 0.00 C ATOM 492 CG GLU A 32 3.440 30.720 38.203 1.00 0.00 C ATOM 493 CD GLU A 32 2.238 31.627 37.975 1.00 0.00 C ATOM 494 OE1 GLU A 32 1.297 31.203 37.272 1.00 0.00 O ATOM 495 OE2 GLU A 32 2.239 32.761 38.500 1.00 0.00 O ATOM 0 H GLU A 32 5.769 28.501 35.705 1.00 0.00 H new ATOM 0 HA GLU A 32 6.322 30.748 37.559 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.427 31.621 36.520 1.00 0.00 H new ATOM 0 HB3 GLU A 32 3.741 30.044 36.185 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.103 29.727 38.500 1.00 0.00 H new ATOM 0 HG3 GLU A 32 4.047 31.109 39.021 1.00 0.00 H new ATOM 502 N LEU A 33 6.150 29.100 39.388 1.00 0.00 N ATOM 503 CA LEU A 33 6.168 28.112 40.453 1.00 0.00 C ATOM 504 C LEU A 33 5.259 28.559 41.598 1.00 0.00 C ATOM 505 O LEU A 33 5.083 29.752 41.837 1.00 0.00 O ATOM 506 CB LEU A 33 7.628 27.922 40.910 1.00 0.00 C ATOM 507 CG LEU A 33 7.757 27.467 42.363 1.00 0.00 C ATOM 508 CD1 LEU A 33 7.188 26.063 42.541 1.00 0.00 C ATOM 509 CD2 LEU A 33 9.215 27.513 42.807 1.00 0.00 C ATOM 0 H LEU A 33 6.610 29.979 39.623 1.00 0.00 H new ATOM 0 HA LEU A 33 5.785 27.154 40.101 1.00 0.00 H new ATOM 0 HB2 LEU A 33 8.110 27.189 40.264 1.00 0.00 H new ATOM 0 HB3 LEU A 33 8.166 28.862 40.783 1.00 0.00 H new ATOM 0 HG LEU A 33 7.182 28.150 42.989 1.00 0.00 H new ATOM 0 HD11 LEU A 33 7.290 25.758 43.583 1.00 0.00 H new ATOM 0 HD12 LEU A 33 6.134 26.060 42.263 1.00 0.00 H new ATOM 0 HD13 LEU A 33 7.733 25.366 41.904 1.00 0.00 H new ATOM 0 HD21 LEU A 33 9.290 27.186 43.844 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.809 26.853 42.175 1.00 0.00 H new ATOM 0 HD23 LEU A 33 9.590 28.533 42.720 1.00 0.00 H new ATOM 521 N ARG A 34 4.695 27.586 42.305 1.00 0.00 N ATOM 522 CA ARG A 34 3.814 27.864 43.433 1.00 0.00 C ATOM 523 C ARG A 34 4.542 27.556 44.737 1.00 0.00 C ATOM 524 O ARG A 34 5.772 27.563 44.782 1.00 0.00 O ATOM 525 CB ARG A 34 2.546 27.021 43.322 1.00 0.00 C ATOM 526 CG ARG A 34 1.317 27.805 43.776 1.00 0.00 C ATOM 527 CD ARG A 34 0.382 26.935 44.610 1.00 0.00 C ATOM 528 NE ARG A 34 -0.887 27.621 44.830 1.00 0.00 N ATOM 529 CZ ARG A 34 -2.026 26.952 44.977 1.00 0.00 C ATOM 530 NH1 ARG A 34 -2.005 25.676 45.339 1.00 0.00 N ATOM 531 NH2 ARG A 34 -3.185 27.558 44.763 1.00 0.00 N ATOM 0 H ARG A 34 4.833 26.593 42.116 1.00 0.00 H new ATOM 0 HA ARG A 34 3.534 28.917 43.423 1.00 0.00 H new ATOM 0 HB2 ARG A 34 2.412 26.696 42.290 1.00 0.00 H new ATOM 0 HB3 ARG A 34 2.651 26.121 43.928 1.00 0.00 H new ATOM 0 HG2 ARG A 34 1.630 28.670 44.360 1.00 0.00 H new ATOM 0 HG3 ARG A 34 0.783 28.185 42.905 1.00 0.00 H new ATOM 0 HD2 ARG A 34 0.207 25.987 44.102 1.00 0.00 H new ATOM 0 HD3 ARG A 34 0.848 26.702 45.567 1.00 0.00 H new ATOM 0 HE ARG A 34 -0.900 28.640 44.872 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -1.114 25.208 45.505 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -2.880 25.163 45.452 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -3.204 28.539 44.485 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -4.058 27.043 44.876 1.00 0.00 H new ATOM 545 N GLU A 35 3.788 27.284 45.798 1.00 0.00 N ATOM 546 CA GLU A 35 4.386 26.974 47.091 1.00 0.00 C ATOM 547 C GLU A 35 3.492 26.025 47.883 1.00 0.00 C ATOM 548 O GLU A 35 3.654 24.807 47.808 1.00 0.00 O ATOM 549 CB GLU A 35 4.626 28.262 47.874 1.00 0.00 C ATOM 550 CG GLU A 35 6.095 28.670 47.824 1.00 0.00 C ATOM 551 CD GLU A 35 6.330 29.655 46.686 1.00 0.00 C ATOM 552 OE1 GLU A 35 5.674 30.718 46.673 1.00 0.00 O ATOM 553 OE2 GLU A 35 7.168 29.361 45.808 1.00 0.00 O ATOM 0 H GLU A 35 2.768 27.272 45.788 1.00 0.00 H new ATOM 0 HA GLU A 35 5.343 26.479 46.925 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.009 29.061 47.463 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.319 28.124 48.911 1.00 0.00 H new ATOM 0 HG2 GLU A 35 6.387 29.122 48.772 1.00 0.00 H new ATOM 0 HG3 GLU A 35 6.720 27.788 47.686 1.00 0.00 H new ATOM 560 N HIS A 36 2.549 26.584 48.640 1.00 0.00 N ATOM 561 CA HIS A 36 1.630 25.784 49.446 1.00 0.00 C ATOM 562 C HIS A 36 0.747 26.698 50.282 1.00 0.00 C ATOM 563 O HIS A 36 -0.480 26.647 50.194 1.00 0.00 O ATOM 564 CB HIS A 36 2.413 24.841 50.359 1.00 0.00 C ATOM 565 CG HIS A 36 1.531 24.071 51.291 1.00 0.00 C ATOM 566 ND1 HIS A 36 2.010 23.327 52.338 1.00 0.00 N ATOM 567 CD2 HIS A 36 0.182 23.920 51.343 1.00 0.00 C ATOM 568 CE1 HIS A 36 1.029 22.752 52.995 1.00 0.00 C ATOM 569 NE2 HIS A 36 -0.109 23.093 52.413 1.00 0.00 N ATOM 0 H HIS A 36 2.402 27.591 48.712 1.00 0.00 H new ATOM 0 HA HIS A 36 1.003 25.190 48.781 1.00 0.00 H new ATOM 0 HB2 HIS A 36 2.985 24.143 49.748 1.00 0.00 H new ATOM 0 HB3 HIS A 36 3.131 25.419 50.940 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -0.535 24.366 50.670 1.00 0.00 H new ATOM 0 HE1 HIS A 36 1.133 22.113 53.859 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -1.041 22.797 52.703 1.00 0.00 H new ATOM 577 N GLY A 37 1.382 27.541 51.090 1.00 0.00 N ATOM 578 CA GLY A 37 0.663 28.480 51.942 1.00 0.00 C ATOM 579 C GLY A 37 0.465 29.807 51.223 1.00 0.00 C ATOM 580 O GLY A 37 -0.473 30.549 51.514 1.00 0.00 O ATOM 0 H GLY A 37 2.397 27.592 51.172 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.305 28.062 52.219 1.00 0.00 H new ATOM 0 HA3 GLY A 37 1.218 28.640 52.867 1.00 0.00 H new ATOM 584 N SER A 38 1.355 30.101 50.277 1.00 0.00 N ATOM 585 CA SER A 38 1.280 31.340 49.509 1.00 0.00 C ATOM 586 C SER A 38 -0.121 31.526 48.940 1.00 0.00 C ATOM 587 O SER A 38 -0.595 32.651 48.784 1.00 0.00 O ATOM 588 CB SER A 38 2.304 31.312 48.377 1.00 0.00 C ATOM 589 OG SER A 38 3.129 32.466 48.422 1.00 0.00 O ATOM 0 H SER A 38 2.137 29.497 50.025 1.00 0.00 H new ATOM 0 HA SER A 38 1.502 32.177 50.171 1.00 0.00 H new ATOM 0 HB2 SER A 38 2.919 30.415 48.457 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.791 31.262 47.416 1.00 0.00 H new ATOM 0 HG SER A 38 3.781 32.431 47.691 1.00 0.00 H new ATOM 595 N ASP A 39 -0.782 30.409 48.633 1.00 0.00 N ATOM 596 CA ASP A 39 -2.141 30.420 48.079 1.00 0.00 C ATOM 597 C ASP A 39 -2.113 30.672 46.576 1.00 0.00 C ATOM 598 O ASP A 39 -2.703 29.919 45.802 1.00 0.00 O ATOM 599 CB ASP A 39 -2.999 31.484 48.767 1.00 0.00 C ATOM 600 CG ASP A 39 -4.474 31.112 48.678 1.00 0.00 C ATOM 601 OD1 ASP A 39 -4.864 30.456 47.690 1.00 0.00 O ATOM 602 OD2 ASP A 39 -5.236 31.478 49.598 1.00 0.00 O ATOM 0 H ASP A 39 -0.395 29.474 48.760 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.582 29.440 48.262 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.703 31.580 49.812 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.833 32.454 48.299 1.00 0.00 H new ATOM 607 N GLU A 40 -1.432 31.737 46.167 1.00 0.00 N ATOM 608 CA GLU A 40 -1.338 32.089 44.753 1.00 0.00 C ATOM 609 C GLU A 40 -0.026 31.592 44.159 1.00 0.00 C ATOM 610 O GLU A 40 0.812 31.024 44.860 1.00 0.00 O ATOM 611 CB GLU A 40 -1.443 33.601 44.586 1.00 0.00 C ATOM 612 CG GLU A 40 -2.891 34.033 44.372 1.00 0.00 C ATOM 613 CD GLU A 40 -3.063 35.502 44.735 1.00 0.00 C ATOM 614 OE1 GLU A 40 -2.636 35.896 45.841 1.00 0.00 O ATOM 615 OE2 GLU A 40 -3.625 36.257 43.914 1.00 0.00 O ATOM 0 H GLU A 40 -0.937 32.372 46.793 1.00 0.00 H new ATOM 0 HA GLU A 40 -2.161 31.609 44.223 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -1.040 34.096 45.469 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -0.837 33.919 43.738 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -3.176 33.873 43.332 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.555 33.420 44.982 1.00 0.00 H new ATOM 622 N TRP A 41 0.142 31.811 42.859 1.00 0.00 N ATOM 623 CA TRP A 41 1.348 31.390 42.152 1.00 0.00 C ATOM 624 C TRP A 41 2.339 32.545 42.058 1.00 0.00 C ATOM 625 O TRP A 41 2.016 33.682 42.401 1.00 0.00 O ATOM 626 CB TRP A 41 0.983 30.911 40.751 1.00 0.00 C ATOM 627 CG TRP A 41 0.113 29.692 40.763 1.00 0.00 C ATOM 628 CD1 TRP A 41 -1.216 29.632 41.081 1.00 0.00 C ATOM 629 CD2 TRP A 41 0.512 28.347 40.436 1.00 0.00 C ATOM 630 NE1 TRP A 41 -1.639 28.337 40.964 1.00 0.00 N ATOM 631 CE2 TRP A 41 -0.615 27.529 40.574 1.00 0.00 C ATOM 632 CE3 TRP A 41 1.713 27.760 40.040 1.00 0.00 C ATOM 633 CZ2 TRP A 41 -0.571 26.166 40.331 1.00 0.00 C ATOM 634 CZ3 TRP A 41 1.767 26.396 39.795 1.00 0.00 C ATOM 635 CH2 TRP A 41 0.634 25.605 39.938 1.00 0.00 C ATOM 0 H TRP A 41 -0.546 32.280 42.270 1.00 0.00 H new ATOM 0 HA TRP A 41 1.812 30.573 42.706 1.00 0.00 H new ATOM 0 HB2 TRP A 41 0.470 31.713 40.220 1.00 0.00 H new ATOM 0 HB3 TRP A 41 1.896 30.695 40.196 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -1.830 30.470 41.376 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -2.591 28.020 41.144 1.00 0.00 H new ATOM 0 HE3 TRP A 41 2.599 28.366 39.924 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -1.454 25.555 40.445 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 2.699 25.944 39.490 1.00 0.00 H new ATOM 0 HH2 TRP A 41 0.693 24.545 39.741 1.00 0.00 H new ATOM 646 N VAL A 42 3.545 32.247 41.583 1.00 0.00 N ATOM 647 CA VAL A 42 4.582 33.263 41.435 1.00 0.00 C ATOM 648 C VAL A 42 5.458 32.949 40.228 1.00 0.00 C ATOM 649 O VAL A 42 6.282 32.034 40.266 1.00 0.00 O ATOM 650 CB VAL A 42 5.435 33.335 42.700 1.00 0.00 C ATOM 651 CG1 VAL A 42 4.673 34.044 43.816 1.00 0.00 C ATOM 652 CG2 VAL A 42 5.858 31.940 43.148 1.00 0.00 C ATOM 0 H VAL A 42 3.828 31.311 41.294 1.00 0.00 H new ATOM 0 HA VAL A 42 4.104 34.230 41.279 1.00 0.00 H new ATOM 0 HB VAL A 42 6.334 33.908 42.473 1.00 0.00 H new ATOM 0 HG11 VAL A 42 5.294 34.087 44.710 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.422 35.056 43.499 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.757 33.496 44.037 1.00 0.00 H new ATOM 0 HG21 VAL A 42 6.464 32.016 44.050 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.972 31.340 43.356 1.00 0.00 H new ATOM 0 HG23 VAL A 42 6.440 31.465 42.358 1.00 0.00 H new ATOM 662 N ALA A 43 5.270 33.709 39.153 1.00 0.00 N ATOM 663 CA ALA A 43 6.038 33.511 37.926 1.00 0.00 C ATOM 664 C ALA A 43 7.527 33.442 38.229 1.00 0.00 C ATOM 665 O ALA A 43 8.047 34.230 39.019 1.00 0.00 O ATOM 666 CB ALA A 43 5.759 34.648 36.947 1.00 0.00 C ATOM 0 H ALA A 43 4.591 34.469 39.106 1.00 0.00 H new ATOM 0 HA ALA A 43 5.732 32.566 37.476 1.00 0.00 H new ATOM 0 HB1 ALA A 43 6.335 34.493 36.035 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.696 34.668 36.706 1.00 0.00 H new ATOM 0 HB3 ALA A 43 6.046 35.597 37.400 1.00 0.00 H new ATOM 672 N MET A 44 8.208 32.491 37.599 1.00 0.00 N ATOM 673 CA MET A 44 9.641 32.315 37.805 1.00 0.00 C ATOM 674 C MET A 44 10.411 33.540 37.336 1.00 0.00 C ATOM 675 O MET A 44 9.823 34.559 36.974 1.00 0.00 O ATOM 676 CB MET A 44 10.125 31.085 37.053 1.00 0.00 C ATOM 677 CG MET A 44 10.131 29.864 37.958 1.00 0.00 C ATOM 678 SD MET A 44 11.763 29.515 38.633 1.00 0.00 S ATOM 679 CE MET A 44 11.342 28.393 39.975 1.00 0.00 C ATOM 0 H MET A 44 7.792 31.831 36.942 1.00 0.00 H new ATOM 0 HA MET A 44 9.820 32.182 38.872 1.00 0.00 H new ATOM 0 HB2 MET A 44 9.480 30.902 36.193 1.00 0.00 H new ATOM 0 HB3 MET A 44 11.129 31.261 36.667 1.00 0.00 H new ATOM 0 HG2 MET A 44 9.428 30.019 38.777 1.00 0.00 H new ATOM 0 HG3 MET A 44 9.781 28.998 37.397 1.00 0.00 H new ATOM 0 HE1 MET A 44 11.867 28.696 40.881 1.00 0.00 H new ATOM 0 HE2 MET A 44 10.267 28.424 40.151 1.00 0.00 H new ATOM 0 HE3 MET A 44 11.637 27.378 39.707 1.00 0.00 H new ATOM 689 N THR A 45 11.734 33.429 37.346 1.00 0.00 N ATOM 690 CA THR A 45 12.601 34.523 36.923 1.00 0.00 C ATOM 691 C THR A 45 13.744 33.993 36.066 1.00 0.00 C ATOM 692 O THR A 45 14.732 33.472 36.582 1.00 0.00 O ATOM 693 CB THR A 45 13.158 35.246 38.147 1.00 0.00 C ATOM 694 OG1 THR A 45 12.096 35.627 39.008 1.00 0.00 O ATOM 695 CG2 THR A 45 13.962 36.475 37.733 1.00 0.00 C ATOM 0 H THR A 45 12.231 32.590 37.643 1.00 0.00 H new ATOM 0 HA THR A 45 12.016 35.225 36.328 1.00 0.00 H new ATOM 0 HB THR A 45 13.824 34.564 38.677 1.00 0.00 H new ATOM 0 HG1 THR A 45 12.460 36.089 39.792 1.00 0.00 H new ATOM 0 HG21 THR A 45 14.348 36.973 38.622 1.00 0.00 H new ATOM 0 HG22 THR A 45 14.794 36.169 37.098 1.00 0.00 H new ATOM 0 HG23 THR A 45 13.319 37.162 37.183 1.00 0.00 H new ATOM 703 N LYS A 46 13.601 34.128 34.751 1.00 0.00 N ATOM 704 CA LYS A 46 14.619 33.662 33.815 1.00 0.00 C ATOM 705 C LYS A 46 15.911 34.447 33.999 1.00 0.00 C ATOM 706 O LYS A 46 16.196 35.377 33.245 1.00 0.00 O ATOM 707 CB LYS A 46 14.117 33.812 32.381 1.00 0.00 C ATOM 708 CG LYS A 46 13.498 35.188 32.152 1.00 0.00 C ATOM 709 CD LYS A 46 13.379 35.501 30.663 1.00 0.00 C ATOM 710 CE LYS A 46 12.058 34.991 30.096 1.00 0.00 C ATOM 711 NZ LYS A 46 12.122 34.851 28.613 1.00 0.00 N ATOM 0 H LYS A 46 12.788 34.557 34.309 1.00 0.00 H new ATOM 0 HA LYS A 46 14.820 32.609 34.015 1.00 0.00 H new ATOM 0 HB2 LYS A 46 14.944 33.662 31.686 1.00 0.00 H new ATOM 0 HB3 LYS A 46 13.379 33.039 32.169 1.00 0.00 H new ATOM 0 HG2 LYS A 46 12.512 35.227 32.614 1.00 0.00 H new ATOM 0 HG3 LYS A 46 14.108 35.949 32.638 1.00 0.00 H new ATOM 0 HD2 LYS A 46 13.453 36.577 30.508 1.00 0.00 H new ATOM 0 HD3 LYS A 46 14.209 35.044 30.125 1.00 0.00 H new ATOM 0 HE2 LYS A 46 11.816 34.027 30.544 1.00 0.00 H new ATOM 0 HE3 LYS A 46 11.255 35.678 30.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 11.209 34.502 28.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 12.330 35.776 28.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 12.872 34.177 28.360 1.00 0.00 H new ATOM 725 N GLY A 47 16.689 34.066 35.007 1.00 0.00 N ATOM 726 CA GLY A 47 17.954 34.734 35.294 1.00 0.00 C ATOM 727 C GLY A 47 19.132 33.801 35.036 1.00 0.00 C ATOM 728 O GLY A 47 20.247 34.253 34.773 1.00 0.00 O ATOM 0 H GLY A 47 16.466 33.298 35.639 1.00 0.00 H new ATOM 0 HA2 GLY A 47 18.048 35.625 34.674 1.00 0.00 H new ATOM 0 HA3 GLY A 47 17.968 35.065 36.332 1.00 0.00 H new ATOM 732 N GLU A 48 18.881 32.498 35.111 1.00 0.00 N ATOM 733 CA GLU A 48 19.922 31.502 34.885 1.00 0.00 C ATOM 734 C GLU A 48 20.278 31.430 33.407 1.00 0.00 C ATOM 735 O GLU A 48 21.440 31.245 33.045 1.00 0.00 O ATOM 736 CB GLU A 48 19.445 30.135 35.368 1.00 0.00 C ATOM 737 CG GLU A 48 20.185 29.704 36.632 1.00 0.00 C ATOM 738 CD GLU A 48 20.058 30.771 37.711 1.00 0.00 C ATOM 739 OE1 GLU A 48 19.201 31.668 37.563 1.00 0.00 O ATOM 740 OE2 GLU A 48 20.815 30.709 38.703 1.00 0.00 O ATOM 0 H GLU A 48 17.964 32.107 35.327 1.00 0.00 H new ATOM 0 HA GLU A 48 20.810 31.793 35.445 1.00 0.00 H new ATOM 0 HB2 GLU A 48 18.374 30.170 35.565 1.00 0.00 H new ATOM 0 HB3 GLU A 48 19.600 29.395 34.583 1.00 0.00 H new ATOM 0 HG2 GLU A 48 19.778 28.760 36.995 1.00 0.00 H new ATOM 0 HG3 GLU A 48 21.237 29.531 36.404 1.00 0.00 H new ATOM 747 N GLY A 49 19.268 31.571 32.555 1.00 0.00 N ATOM 748 CA GLY A 49 19.470 31.515 31.113 1.00 0.00 C ATOM 749 C GLY A 49 19.189 30.111 30.595 1.00 0.00 C ATOM 750 O GLY A 49 18.614 29.937 29.521 1.00 0.00 O ATOM 0 H GLY A 49 18.301 31.725 32.839 1.00 0.00 H new ATOM 0 HA2 GLY A 49 18.813 32.231 30.619 1.00 0.00 H new ATOM 0 HA3 GLY A 49 20.493 31.801 30.871 1.00 0.00 H new ATOM 754 N GLY A 50 19.596 29.111 31.371 1.00 0.00 N ATOM 755 CA GLY A 50 19.387 27.716 31.001 1.00 0.00 C ATOM 756 C GLY A 50 18.216 27.130 31.778 1.00 0.00 C ATOM 757 O GLY A 50 17.520 26.237 31.294 1.00 0.00 O ATOM 0 H GLY A 50 20.074 29.242 32.263 1.00 0.00 H new ATOM 0 HA2 GLY A 50 19.195 27.642 29.931 1.00 0.00 H new ATOM 0 HA3 GLY A 50 20.290 27.140 31.203 1.00 0.00 H new ATOM 761 N VAL A 51 17.999 27.642 32.986 1.00 0.00 N ATOM 762 CA VAL A 51 16.908 27.175 33.833 1.00 0.00 C ATOM 763 C VAL A 51 16.231 28.353 34.518 1.00 0.00 C ATOM 764 O VAL A 51 16.595 29.507 34.292 1.00 0.00 O ATOM 765 CB VAL A 51 17.434 26.195 34.876 1.00 0.00 C ATOM 766 CG1 VAL A 51 17.773 24.859 34.224 1.00 0.00 C ATOM 767 CG2 VAL A 51 18.657 26.770 35.585 1.00 0.00 C ATOM 0 H VAL A 51 18.566 28.382 33.400 1.00 0.00 H new ATOM 0 HA VAL A 51 16.175 26.665 33.208 1.00 0.00 H new ATOM 0 HB VAL A 51 16.654 26.030 35.619 1.00 0.00 H new ATOM 0 HG11 VAL A 51 18.147 24.169 34.981 1.00 0.00 H new ATOM 0 HG12 VAL A 51 16.878 24.441 33.763 1.00 0.00 H new ATOM 0 HG13 VAL A 51 18.537 25.010 33.461 1.00 0.00 H new ATOM 0 HG21 VAL A 51 19.018 26.056 36.325 1.00 0.00 H new ATOM 0 HG22 VAL A 51 19.443 26.964 34.855 1.00 0.00 H new ATOM 0 HG23 VAL A 51 18.385 27.701 36.082 1.00 0.00 H new ATOM 777 N TRP A 52 15.235 28.061 35.347 1.00 0.00 N ATOM 778 CA TRP A 52 14.499 29.105 36.054 1.00 0.00 C ATOM 779 C TRP A 52 14.721 28.999 37.557 1.00 0.00 C ATOM 780 O TRP A 52 14.691 27.907 38.125 1.00 0.00 O ATOM 781 CB TRP A 52 13.004 28.999 35.747 1.00 0.00 C ATOM 782 CG TRP A 52 12.721 28.500 34.362 1.00 0.00 C ATOM 783 CD1 TRP A 52 11.956 27.420 34.025 1.00 0.00 C ATOM 784 CD2 TRP A 52 13.204 29.059 33.123 1.00 0.00 C ATOM 785 NE1 TRP A 52 11.947 27.293 32.664 1.00 0.00 N ATOM 786 CE2 TRP A 52 12.693 28.273 32.083 1.00 0.00 C ATOM 787 CE3 TRP A 52 14.014 30.146 32.796 1.00 0.00 C ATOM 788 CZ2 TRP A 52 12.970 28.543 30.753 1.00 0.00 C ATOM 789 CZ3 TRP A 52 14.295 30.422 31.465 1.00 0.00 C ATOM 790 CH2 TRP A 52 13.776 29.627 30.453 1.00 0.00 C ATOM 0 H TRP A 52 14.918 27.112 35.546 1.00 0.00 H new ATOM 0 HA TRP A 52 14.869 30.071 35.712 1.00 0.00 H new ATOM 0 HB2 TRP A 52 12.537 28.330 36.470 1.00 0.00 H new ATOM 0 HB3 TRP A 52 12.543 29.978 35.875 1.00 0.00 H new ATOM 0 HD1 TRP A 52 11.442 26.772 34.720 1.00 0.00 H new ATOM 0 HE1 TRP A 52 11.449 26.564 32.153 1.00 0.00 H new ATOM 0 HE3 TRP A 52 14.422 30.772 33.576 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 12.566 27.921 29.968 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 14.924 31.264 31.215 1.00 0.00 H new ATOM 0 HH2 TRP A 52 14.003 29.856 29.422 1.00 0.00 H new ATOM 801 N THR A 53 14.931 30.145 38.195 1.00 0.00 N ATOM 802 CA THR A 53 15.147 30.198 39.637 1.00 0.00 C ATOM 803 C THR A 53 14.167 31.178 40.268 1.00 0.00 C ATOM 804 O THR A 53 13.737 32.136 39.625 1.00 0.00 O ATOM 805 CB THR A 53 16.581 30.625 39.938 1.00 0.00 C ATOM 806 OG1 THR A 53 16.948 31.713 39.105 1.00 0.00 O ATOM 807 CG2 THR A 53 17.549 29.463 39.735 1.00 0.00 C ATOM 0 H THR A 53 14.956 31.054 37.734 1.00 0.00 H new ATOM 0 HA THR A 53 14.982 29.206 40.058 1.00 0.00 H new ATOM 0 HB THR A 53 16.634 30.937 40.981 1.00 0.00 H new ATOM 0 HG1 THR A 53 17.792 31.507 38.651 1.00 0.00 H new ATOM 0 HG21 THR A 53 18.564 29.792 39.956 1.00 0.00 H new ATOM 0 HG22 THR A 53 17.280 28.644 40.403 1.00 0.00 H new ATOM 0 HG23 THR A 53 17.495 29.121 38.701 1.00 0.00 H new ATOM 815 N PHE A 54 13.809 30.935 41.524 1.00 0.00 N ATOM 816 CA PHE A 54 12.870 31.802 42.227 1.00 0.00 C ATOM 817 C PHE A 54 13.283 31.985 43.681 1.00 0.00 C ATOM 818 O PHE A 54 13.932 31.120 44.268 1.00 0.00 O ATOM 819 CB PHE A 54 11.466 31.208 42.160 1.00 0.00 C ATOM 820 CG PHE A 54 10.412 32.126 42.726 1.00 0.00 C ATOM 821 CD1 PHE A 54 9.850 33.111 41.930 1.00 0.00 C ATOM 822 CD2 PHE A 54 10.003 31.984 44.042 1.00 0.00 C ATOM 823 CE1 PHE A 54 8.881 33.953 42.449 1.00 0.00 C ATOM 824 CE2 PHE A 54 9.033 32.826 44.561 1.00 0.00 C ATOM 825 CZ PHE A 54 8.472 33.810 43.764 1.00 0.00 C ATOM 0 H PHE A 54 14.153 30.148 42.075 1.00 0.00 H new ATOM 0 HA PHE A 54 12.876 32.778 41.742 1.00 0.00 H new ATOM 0 HB2 PHE A 54 11.223 30.980 41.122 1.00 0.00 H new ATOM 0 HB3 PHE A 54 11.450 30.265 42.706 1.00 0.00 H new ATOM 0 HD1 PHE A 54 10.168 33.222 40.904 1.00 0.00 H new ATOM 0 HD2 PHE A 54 10.440 31.217 44.663 1.00 0.00 H new ATOM 0 HE1 PHE A 54 8.444 34.721 41.828 1.00 0.00 H new ATOM 0 HE2 PHE A 54 8.714 32.715 45.587 1.00 0.00 H new ATOM 0 HZ PHE A 54 7.715 34.466 44.168 1.00 0.00 H new ATOM 835 N ASP A 55 12.896 33.119 44.257 1.00 0.00 N ATOM 836 CA ASP A 55 13.214 33.428 45.647 1.00 0.00 C ATOM 837 C ASP A 55 12.067 33.001 46.554 1.00 0.00 C ATOM 838 O ASP A 55 11.045 33.683 46.640 1.00 0.00 O ATOM 839 CB ASP A 55 13.468 34.925 45.800 1.00 0.00 C ATOM 840 CG ASP A 55 14.898 35.177 46.261 1.00 0.00 C ATOM 841 OD1 ASP A 55 15.486 34.279 46.898 1.00 0.00 O ATOM 842 OD2 ASP A 55 15.428 36.274 45.983 1.00 0.00 O ATOM 0 H ASP A 55 12.359 33.843 43.780 1.00 0.00 H new ATOM 0 HA ASP A 55 14.113 32.882 45.934 1.00 0.00 H new ATOM 0 HB2 ASP A 55 13.291 35.429 44.850 1.00 0.00 H new ATOM 0 HB3 ASP A 55 12.767 35.347 46.520 1.00 0.00 H new ATOM 847 N SER A 56 12.237 31.867 47.225 1.00 0.00 N ATOM 848 CA SER A 56 11.211 31.345 48.122 1.00 0.00 C ATOM 849 C SER A 56 11.314 31.996 49.495 1.00 0.00 C ATOM 850 O SER A 56 12.410 32.199 50.018 1.00 0.00 O ATOM 851 CB SER A 56 11.355 29.832 48.253 1.00 0.00 C ATOM 852 OG SER A 56 11.797 29.266 47.029 1.00 0.00 O ATOM 0 H SER A 56 13.076 31.291 47.165 1.00 0.00 H new ATOM 0 HA SER A 56 10.233 31.579 47.701 1.00 0.00 H new ATOM 0 HB2 SER A 56 12.064 29.596 49.046 1.00 0.00 H new ATOM 0 HB3 SER A 56 10.399 29.393 48.539 1.00 0.00 H new ATOM 0 HG SER A 56 12.734 28.991 47.115 1.00 0.00 H new ATOM 858 N GLU A 57 10.162 32.319 50.076 1.00 0.00 N ATOM 859 CA GLU A 57 10.115 32.945 51.393 1.00 0.00 C ATOM 860 C GLU A 57 9.796 31.905 52.460 1.00 0.00 C ATOM 861 O GLU A 57 10.483 31.813 53.476 1.00 0.00 O ATOM 862 CB GLU A 57 9.059 34.046 51.410 1.00 0.00 C ATOM 863 CG GLU A 57 9.587 35.310 52.083 1.00 0.00 C ATOM 864 CD GLU A 57 8.586 36.447 51.925 1.00 0.00 C ATOM 865 OE1 GLU A 57 8.404 36.925 50.786 1.00 0.00 O ATOM 866 OE2 GLU A 57 7.985 36.856 52.941 1.00 0.00 O ATOM 0 H GLU A 57 9.247 32.157 49.654 1.00 0.00 H new ATOM 0 HA GLU A 57 11.090 33.382 51.608 1.00 0.00 H new ATOM 0 HB2 GLU A 57 8.753 34.275 50.389 1.00 0.00 H new ATOM 0 HB3 GLU A 57 8.172 33.694 51.937 1.00 0.00 H new ATOM 0 HG2 GLU A 57 9.768 35.119 53.141 1.00 0.00 H new ATOM 0 HG3 GLU A 57 10.543 35.593 51.642 1.00 0.00 H new ATOM 873 N GLU A 58 8.748 31.122 52.221 1.00 0.00 N ATOM 874 CA GLU A 58 8.336 30.085 53.162 1.00 0.00 C ATOM 875 C GLU A 58 9.299 28.902 53.102 1.00 0.00 C ATOM 876 O GLU A 58 9.544 28.352 52.029 1.00 0.00 O ATOM 877 CB GLU A 58 6.919 29.618 52.832 1.00 0.00 C ATOM 878 CG GLU A 58 6.864 28.901 51.485 1.00 0.00 C ATOM 879 CD GLU A 58 5.425 28.541 51.139 1.00 0.00 C ATOM 880 OE1 GLU A 58 4.594 29.465 51.012 1.00 0.00 O ATOM 881 OE2 GLU A 58 5.130 27.335 50.997 1.00 0.00 O ATOM 0 H GLU A 58 8.169 31.186 51.384 1.00 0.00 H new ATOM 0 HA GLU A 58 8.352 30.500 54.170 1.00 0.00 H new ATOM 0 HB2 GLU A 58 6.564 28.949 53.616 1.00 0.00 H new ATOM 0 HB3 GLU A 58 6.247 30.476 52.816 1.00 0.00 H new ATOM 0 HG2 GLU A 58 7.284 29.539 50.708 1.00 0.00 H new ATOM 0 HG3 GLU A 58 7.474 27.998 51.520 1.00 0.00 H new ATOM 888 N PRO A 59 9.858 28.483 54.254 1.00 0.00 N ATOM 889 CA PRO A 59 10.782 27.365 54.328 1.00 0.00 C ATOM 890 C PRO A 59 10.067 26.049 54.610 1.00 0.00 C ATOM 891 O PRO A 59 10.174 25.496 55.704 1.00 0.00 O ATOM 892 CB PRO A 59 11.687 27.754 55.487 1.00 0.00 C ATOM 893 CG PRO A 59 10.914 28.711 56.330 1.00 0.00 C ATOM 894 CD PRO A 59 9.649 29.042 55.592 1.00 0.00 C ATOM 0 HA PRO A 59 11.315 27.196 53.392 1.00 0.00 H new ATOM 0 HB2 PRO A 59 11.976 26.876 56.064 1.00 0.00 H new ATOM 0 HB3 PRO A 59 12.606 28.213 55.123 1.00 0.00 H new ATOM 0 HG2 PRO A 59 10.687 28.270 57.301 1.00 0.00 H new ATOM 0 HG3 PRO A 59 11.496 29.613 56.518 1.00 0.00 H new ATOM 0 HD2 PRO A 59 8.778 28.601 56.077 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.481 30.118 55.552 1.00 0.00 H new ATOM 902 N LEU A 60 9.336 25.553 53.617 1.00 0.00 N ATOM 903 CA LEU A 60 8.601 24.301 53.759 1.00 0.00 C ATOM 904 C LEU A 60 9.281 23.196 52.969 1.00 0.00 C ATOM 905 O LEU A 60 9.219 22.022 53.336 1.00 0.00 O ATOM 906 CB LEU A 60 7.164 24.477 53.278 1.00 0.00 C ATOM 907 CG LEU A 60 6.196 24.585 54.452 1.00 0.00 C ATOM 908 CD1 LEU A 60 5.746 26.030 54.643 1.00 0.00 C ATOM 909 CD2 LEU A 60 4.992 23.673 54.237 1.00 0.00 C ATOM 0 H LEU A 60 9.237 25.999 52.705 1.00 0.00 H new ATOM 0 HA LEU A 60 8.590 24.023 54.813 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.092 25.373 52.661 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.883 23.633 52.649 1.00 0.00 H new ATOM 0 HG LEU A 60 6.714 24.264 55.356 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.056 26.088 55.485 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.614 26.658 54.842 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.246 26.378 53.739 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.312 23.763 55.084 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.474 23.964 53.323 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.329 22.640 54.150 1.00 0.00 H new ATOM 921 N GLN A 61 9.930 23.584 51.882 1.00 0.00 N ATOM 922 CA GLN A 61 10.637 22.640 51.016 1.00 0.00 C ATOM 923 C GLN A 61 9.793 21.395 50.763 1.00 0.00 C ATOM 924 O GLN A 61 10.316 20.284 50.684 1.00 0.00 O ATOM 925 CB GLN A 61 11.964 22.243 51.654 1.00 0.00 C ATOM 926 CG GLN A 61 13.083 23.195 51.242 1.00 0.00 C ATOM 927 CD GLN A 61 13.866 23.648 52.467 1.00 0.00 C ATOM 928 OE1 GLN A 61 14.673 22.895 53.013 1.00 0.00 O ATOM 929 NE2 GLN A 61 13.628 24.880 52.899 1.00 0.00 N ATOM 0 H GLN A 61 9.984 24.554 51.573 1.00 0.00 H new ATOM 0 HA GLN A 61 10.825 23.128 50.060 1.00 0.00 H new ATOM 0 HB2 GLN A 61 11.863 22.245 52.739 1.00 0.00 H new ATOM 0 HB3 GLN A 61 12.222 21.226 51.359 1.00 0.00 H new ATOM 0 HG2 GLN A 61 13.751 22.699 50.537 1.00 0.00 H new ATOM 0 HG3 GLN A 61 12.664 24.060 50.729 1.00 0.00 H new ATOM 0 HE21 GLN A 61 12.950 25.468 52.414 1.00 0.00 H new ATOM 0 HE22 GLN A 61 14.123 25.239 53.716 1.00 0.00 H new ATOM 938 N GLY A 62 8.484 21.588 50.642 1.00 0.00 N ATOM 939 CA GLY A 62 7.566 20.480 50.402 1.00 0.00 C ATOM 940 C GLY A 62 7.302 20.306 48.911 1.00 0.00 C ATOM 941 O GLY A 62 8.193 20.511 48.087 1.00 0.00 O ATOM 0 H GLY A 62 8.035 22.501 50.706 1.00 0.00 H new ATOM 0 HA2 GLY A 62 7.985 19.560 50.811 1.00 0.00 H new ATOM 0 HA3 GLY A 62 6.626 20.662 50.923 1.00 0.00 H new ATOM 945 N PRO A 63 6.067 19.919 48.546 1.00 0.00 N ATOM 946 CA PRO A 63 5.685 19.712 47.144 1.00 0.00 C ATOM 947 C PRO A 63 5.403 21.024 46.422 1.00 0.00 C ATOM 948 O PRO A 63 4.522 21.786 46.821 1.00 0.00 O ATOM 949 CB PRO A 63 4.423 18.865 47.230 1.00 0.00 C ATOM 950 CG PRO A 63 3.832 19.156 48.573 1.00 0.00 C ATOM 951 CD PRO A 63 4.948 19.648 49.465 1.00 0.00 C ATOM 0 HA PRO A 63 6.485 19.239 46.573 1.00 0.00 H new ATOM 0 HB2 PRO A 63 3.726 19.119 46.432 1.00 0.00 H new ATOM 0 HB3 PRO A 63 4.655 17.805 47.125 1.00 0.00 H new ATOM 0 HG2 PRO A 63 3.047 19.908 48.491 1.00 0.00 H new ATOM 0 HG3 PRO A 63 3.373 18.260 48.992 1.00 0.00 H new ATOM 0 HD2 PRO A 63 4.655 20.546 50.008 1.00 0.00 H new ATOM 0 HD3 PRO A 63 5.219 18.900 50.210 1.00 0.00 H new ATOM 959 N PHE A 64 6.153 21.281 45.355 1.00 0.00 N ATOM 960 CA PHE A 64 5.980 22.501 44.574 1.00 0.00 C ATOM 961 C PHE A 64 4.978 22.266 43.451 1.00 0.00 C ATOM 962 O PHE A 64 4.467 21.159 43.281 1.00 0.00 O ATOM 963 CB PHE A 64 7.316 22.942 43.984 1.00 0.00 C ATOM 964 CG PHE A 64 8.268 23.500 45.013 1.00 0.00 C ATOM 965 CD1 PHE A 64 7.871 24.539 45.841 1.00 0.00 C ATOM 966 CD2 PHE A 64 9.544 22.973 45.128 1.00 0.00 C ATOM 967 CE1 PHE A 64 8.751 25.049 46.782 1.00 0.00 C ATOM 968 CE2 PHE A 64 10.423 23.483 46.068 1.00 0.00 C ATOM 969 CZ PHE A 64 10.027 24.521 46.896 1.00 0.00 C ATOM 0 H PHE A 64 6.886 20.661 45.011 1.00 0.00 H new ATOM 0 HA PHE A 64 5.604 23.285 45.232 1.00 0.00 H new ATOM 0 HB2 PHE A 64 7.785 22.092 43.489 1.00 0.00 H new ATOM 0 HB3 PHE A 64 7.136 23.697 43.219 1.00 0.00 H new ATOM 0 HD1 PHE A 64 6.876 24.951 45.753 1.00 0.00 H new ATOM 0 HD2 PHE A 64 9.853 22.163 44.484 1.00 0.00 H new ATOM 0 HE1 PHE A 64 8.442 25.858 47.427 1.00 0.00 H new ATOM 0 HE2 PHE A 64 11.418 23.072 46.156 1.00 0.00 H new ATOM 0 HZ PHE A 64 10.713 24.918 47.630 1.00 0.00 H new ATOM 979 N ASN A 65 4.706 23.315 42.683 1.00 0.00 N ATOM 980 CA ASN A 65 3.768 23.232 41.568 1.00 0.00 C ATOM 981 C ASN A 65 4.127 24.265 40.510 1.00 0.00 C ATOM 982 O ASN A 65 4.496 25.394 40.835 1.00 0.00 O ATOM 983 CB ASN A 65 2.344 23.466 42.062 1.00 0.00 C ATOM 984 CG ASN A 65 2.085 22.658 43.326 1.00 0.00 C ATOM 985 OD1 ASN A 65 1.545 21.553 43.270 1.00 0.00 O ATOM 986 ND2 ASN A 65 2.473 23.210 44.470 1.00 0.00 N ATOM 0 H ASN A 65 5.123 24.237 42.812 1.00 0.00 H new ATOM 0 HA ASN A 65 3.830 22.236 41.128 1.00 0.00 H new ATOM 0 HB2 ASN A 65 2.191 24.526 42.262 1.00 0.00 H new ATOM 0 HB3 ASN A 65 1.632 23.181 41.288 1.00 0.00 H new ATOM 0 HD21 ASN A 65 2.327 22.715 45.350 1.00 0.00 H new ATOM 0 HD22 ASN A 65 2.917 24.128 44.468 1.00 0.00 H new ATOM 993 N PHE A 66 4.025 23.878 39.243 1.00 0.00 N ATOM 994 CA PHE A 66 4.348 24.783 38.146 1.00 0.00 C ATOM 995 C PHE A 66 3.208 24.854 37.139 1.00 0.00 C ATOM 996 O PHE A 66 2.198 24.162 37.273 1.00 0.00 O ATOM 997 CB PHE A 66 5.625 24.325 37.449 1.00 0.00 C ATOM 998 CG PHE A 66 6.837 24.386 38.343 1.00 0.00 C ATOM 999 CD1 PHE A 66 6.937 23.538 39.435 1.00 0.00 C ATOM 1000 CD2 PHE A 66 7.854 25.288 38.075 1.00 0.00 C ATOM 1001 CE1 PHE A 66 8.051 23.593 40.256 1.00 0.00 C ATOM 1002 CE2 PHE A 66 8.968 25.343 38.896 1.00 0.00 C ATOM 1003 CZ PHE A 66 9.066 24.496 39.987 1.00 0.00 C ATOM 0 H PHE A 66 3.723 22.949 38.951 1.00 0.00 H new ATOM 0 HA PHE A 66 4.499 25.779 38.563 1.00 0.00 H new ATOM 0 HB2 PHE A 66 5.493 23.303 37.095 1.00 0.00 H new ATOM 0 HB3 PHE A 66 5.796 24.947 36.571 1.00 0.00 H new ATOM 0 HD1 PHE A 66 6.146 22.834 39.646 1.00 0.00 H new ATOM 0 HD2 PHE A 66 7.778 25.949 37.225 1.00 0.00 H new ATOM 0 HE1 PHE A 66 8.128 22.932 41.106 1.00 0.00 H new ATOM 0 HE2 PHE A 66 9.760 26.046 38.685 1.00 0.00 H new ATOM 0 HZ PHE A 66 9.934 24.540 40.628 1.00 0.00 H new ATOM 1013 N ARG A 67 3.385 25.699 36.129 1.00 0.00 N ATOM 1014 CA ARG A 67 2.386 25.882 35.081 1.00 0.00 C ATOM 1015 C ARG A 67 2.913 26.859 34.038 1.00 0.00 C ATOM 1016 O ARG A 67 2.403 27.970 33.896 1.00 0.00 O ATOM 1017 CB ARG A 67 1.086 26.406 35.681 1.00 0.00 C ATOM 1018 CG ARG A 67 1.321 27.687 36.476 1.00 0.00 C ATOM 1019 CD ARG A 67 0.490 28.841 35.922 1.00 0.00 C ATOM 1020 NE ARG A 67 -0.427 29.342 36.941 1.00 0.00 N ATOM 1021 CZ ARG A 67 -1.351 30.257 36.663 1.00 0.00 C ATOM 1022 NH1 ARG A 67 -1.740 30.453 35.410 1.00 0.00 N ATOM 1023 NH2 ARG A 67 -1.888 30.978 37.638 1.00 0.00 N ATOM 0 H ARG A 67 4.220 26.274 36.013 1.00 0.00 H new ATOM 0 HA ARG A 67 2.187 24.922 34.604 1.00 0.00 H new ATOM 0 HB2 ARG A 67 0.366 26.596 34.885 1.00 0.00 H new ATOM 0 HB3 ARG A 67 0.650 25.647 36.330 1.00 0.00 H new ATOM 0 HG2 ARG A 67 1.065 27.521 37.522 1.00 0.00 H new ATOM 0 HG3 ARG A 67 2.379 27.949 36.444 1.00 0.00 H new ATOM 0 HD2 ARG A 67 1.148 29.644 35.589 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -0.072 28.507 35.050 1.00 0.00 H new ATOM 0 HE ARG A 67 -0.357 28.980 37.892 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -1.330 29.901 34.656 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -2.449 31.156 35.200 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -1.592 30.831 38.603 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -2.597 31.679 37.423 1.00 0.00 H new ATOM 1037 N PHE A 68 3.949 26.438 33.322 1.00 0.00 N ATOM 1038 CA PHE A 68 4.571 27.270 32.297 1.00 0.00 C ATOM 1039 C PHE A 68 3.567 27.672 31.230 1.00 0.00 C ATOM 1040 O PHE A 68 2.431 27.198 31.212 1.00 0.00 O ATOM 1041 CB PHE A 68 5.726 26.516 31.641 1.00 0.00 C ATOM 1042 CG PHE A 68 5.407 25.062 31.386 1.00 0.00 C ATOM 1043 CD1 PHE A 68 4.302 24.716 30.623 1.00 0.00 C ATOM 1044 CD2 PHE A 68 6.215 24.072 31.918 1.00 0.00 C ATOM 1045 CE1 PHE A 68 4.007 23.383 30.394 1.00 0.00 C ATOM 1046 CE2 PHE A 68 5.919 22.738 31.689 1.00 0.00 C ATOM 1047 CZ PHE A 68 4.815 22.394 30.927 1.00 0.00 C ATOM 0 H PHE A 68 4.379 25.520 33.433 1.00 0.00 H new ATOM 0 HA PHE A 68 4.944 28.172 32.782 1.00 0.00 H new ATOM 0 HB2 PHE A 68 5.979 26.999 30.697 1.00 0.00 H new ATOM 0 HB3 PHE A 68 6.607 26.583 32.280 1.00 0.00 H new ATOM 0 HD1 PHE A 68 3.671 25.487 30.207 1.00 0.00 H new ATOM 0 HD2 PHE A 68 7.077 24.340 32.512 1.00 0.00 H new ATOM 0 HE1 PHE A 68 3.146 23.115 29.799 1.00 0.00 H new ATOM 0 HE2 PHE A 68 6.550 21.966 32.105 1.00 0.00 H new ATOM 0 HZ PHE A 68 4.585 21.354 30.749 1.00 0.00 H new ATOM 1057 N LEU A 69 4.013 28.537 30.329 1.00 0.00 N ATOM 1058 CA LEU A 69 3.187 29.007 29.226 1.00 0.00 C ATOM 1059 C LEU A 69 3.903 28.718 27.917 1.00 0.00 C ATOM 1060 O LEU A 69 4.589 29.585 27.378 1.00 0.00 O ATOM 1061 CB LEU A 69 2.926 30.507 29.354 1.00 0.00 C ATOM 1062 CG LEU A 69 2.679 30.915 30.803 1.00 0.00 C ATOM 1063 CD1 LEU A 69 2.432 32.418 30.899 1.00 0.00 C ATOM 1064 CD2 LEU A 69 1.499 30.140 31.383 1.00 0.00 C ATOM 0 H LEU A 69 4.954 28.931 30.342 1.00 0.00 H new ATOM 0 HA LEU A 69 2.228 28.489 29.248 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.779 31.060 28.961 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.063 30.779 28.747 1.00 0.00 H new ATOM 0 HG LEU A 69 3.568 30.674 31.386 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.258 32.692 31.939 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.303 32.955 30.523 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.559 32.682 30.303 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.337 30.444 32.417 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.603 30.350 30.799 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.713 29.072 31.348 1.00 0.00 H new ATOM 1076 N THR A 70 3.756 27.485 27.423 1.00 0.00 N ATOM 1077 CA THR A 70 4.403 27.045 26.179 1.00 0.00 C ATOM 1078 C THR A 70 4.473 28.168 25.149 1.00 0.00 C ATOM 1079 O THR A 70 3.516 28.920 24.965 1.00 0.00 O ATOM 1080 CB THR A 70 3.649 25.856 25.595 1.00 0.00 C ATOM 1081 OG1 THR A 70 2.257 26.021 25.799 1.00 0.00 O ATOM 1082 CG2 THR A 70 4.121 24.551 26.229 1.00 0.00 C ATOM 0 H THR A 70 3.188 26.765 27.870 1.00 0.00 H new ATOM 0 HA THR A 70 5.424 26.752 26.422 1.00 0.00 H new ATOM 0 HB THR A 70 3.852 25.809 24.525 1.00 0.00 H new ATOM 0 HG1 THR A 70 2.030 25.776 26.720 1.00 0.00 H new ATOM 0 HG21 THR A 70 3.569 23.716 25.797 1.00 0.00 H new ATOM 0 HG22 THR A 70 5.186 24.419 26.039 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.945 24.584 27.304 1.00 0.00 H new ATOM 1090 N GLU A 71 5.623 28.280 24.493 1.00 0.00 N ATOM 1091 CA GLU A 71 5.846 29.317 23.491 1.00 0.00 C ATOM 1092 C GLU A 71 4.669 29.412 22.525 1.00 0.00 C ATOM 1093 O GLU A 71 4.328 30.500 22.061 1.00 0.00 O ATOM 1094 CB GLU A 71 7.134 29.028 22.726 1.00 0.00 C ATOM 1095 CG GLU A 71 8.338 28.974 23.664 1.00 0.00 C ATOM 1096 CD GLU A 71 9.612 29.317 22.903 1.00 0.00 C ATOM 1097 OE1 GLU A 71 9.869 28.685 21.857 1.00 0.00 O ATOM 1098 OE2 GLU A 71 10.351 30.217 23.354 1.00 0.00 O ATOM 0 H GLU A 71 6.420 27.661 24.638 1.00 0.00 H new ATOM 0 HA GLU A 71 5.938 30.275 24.003 1.00 0.00 H new ATOM 0 HB2 GLU A 71 7.040 28.080 22.197 1.00 0.00 H new ATOM 0 HB3 GLU A 71 7.292 29.799 21.972 1.00 0.00 H new ATOM 0 HG2 GLU A 71 8.198 29.674 24.488 1.00 0.00 H new ATOM 0 HG3 GLU A 71 8.423 27.979 24.101 1.00 0.00 H new ATOM 1105 N LYS A 72 4.047 28.276 22.223 1.00 0.00 N ATOM 1106 CA LYS A 72 2.906 28.256 21.310 1.00 0.00 C ATOM 1107 C LYS A 72 2.025 27.039 21.563 1.00 0.00 C ATOM 1108 O LYS A 72 1.822 26.213 20.674 1.00 0.00 O ATOM 1109 CB LYS A 72 3.381 28.265 19.855 1.00 0.00 C ATOM 1110 CG LYS A 72 4.654 27.443 19.668 1.00 0.00 C ATOM 1111 CD LYS A 72 4.468 26.016 20.167 1.00 0.00 C ATOM 1112 CE LYS A 72 5.721 25.179 19.921 1.00 0.00 C ATOM 1113 NZ LYS A 72 5.794 24.718 18.506 1.00 0.00 N ATOM 0 H LYS A 72 4.310 27.363 22.593 1.00 0.00 H new ATOM 0 HA LYS A 72 2.315 29.153 21.494 1.00 0.00 H new ATOM 0 HB2 LYS A 72 2.594 27.868 19.214 1.00 0.00 H new ATOM 0 HB3 LYS A 72 3.562 29.292 19.538 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.929 27.429 18.613 1.00 0.00 H new ATOM 0 HG3 LYS A 72 5.477 27.915 20.206 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.238 26.027 21.232 1.00 0.00 H new ATOM 0 HD3 LYS A 72 3.617 25.559 19.662 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.607 25.767 20.160 1.00 0.00 H new ATOM 0 HE3 LYS A 72 5.722 24.316 20.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 6.656 24.152 18.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 4.960 24.137 18.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 5.818 25.543 17.873 1.00 0.00 H new ATOM 1127 N GLY A 73 1.496 26.938 22.778 1.00 0.00 N ATOM 1128 CA GLY A 73 0.628 25.823 23.144 1.00 0.00 C ATOM 1129 C GLY A 73 -0.406 26.258 24.175 1.00 0.00 C ATOM 1130 O GLY A 73 -1.352 26.979 23.855 1.00 0.00 O ATOM 0 H GLY A 73 1.653 27.614 23.526 1.00 0.00 H new ATOM 0 HA2 GLY A 73 0.124 25.442 22.256 1.00 0.00 H new ATOM 0 HA3 GLY A 73 1.228 25.006 23.546 1.00 0.00 H new ATOM 1134 N MET A 74 -0.219 25.816 25.413 1.00 0.00 N ATOM 1135 CA MET A 74 -1.131 26.158 26.500 1.00 0.00 C ATOM 1136 C MET A 74 -0.445 25.957 27.844 1.00 0.00 C ATOM 1137 O MET A 74 0.739 25.626 27.905 1.00 0.00 O ATOM 1138 CB MET A 74 -2.388 25.297 26.418 1.00 0.00 C ATOM 1139 CG MET A 74 -2.064 23.819 26.613 1.00 0.00 C ATOM 1140 SD MET A 74 -3.404 22.745 26.071 1.00 0.00 S ATOM 1141 CE MET A 74 -4.595 22.990 27.397 1.00 0.00 C ATOM 0 H MET A 74 0.559 25.218 25.691 1.00 0.00 H new ATOM 0 HA MET A 74 -1.414 27.206 26.405 1.00 0.00 H new ATOM 0 HB2 MET A 74 -3.101 25.618 27.177 1.00 0.00 H new ATOM 0 HB3 MET A 74 -2.867 25.441 25.450 1.00 0.00 H new ATOM 0 HG2 MET A 74 -1.158 23.572 26.060 1.00 0.00 H new ATOM 0 HG3 MET A 74 -1.855 23.632 27.666 1.00 0.00 H new ATOM 0 HE1 MET A 74 -5.483 22.388 27.204 1.00 0.00 H new ATOM 0 HE2 MET A 74 -4.151 22.688 28.345 1.00 0.00 H new ATOM 0 HE3 MET A 74 -4.873 24.043 27.446 1.00 0.00 H new ATOM 1151 N LYS A 75 -1.194 26.164 28.921 1.00 0.00 N ATOM 1152 CA LYS A 75 -0.655 26.010 30.270 1.00 0.00 C ATOM 1153 C LYS A 75 -1.341 24.859 30.994 1.00 0.00 C ATOM 1154 O LYS A 75 -2.437 24.441 30.622 1.00 0.00 O ATOM 1155 CB LYS A 75 -0.832 27.303 31.068 1.00 0.00 C ATOM 1156 CG LYS A 75 -2.152 27.999 30.736 1.00 0.00 C ATOM 1157 CD LYS A 75 -3.350 27.160 31.172 1.00 0.00 C ATOM 1158 CE LYS A 75 -4.530 28.047 31.560 1.00 0.00 C ATOM 1159 NZ LYS A 75 -5.445 28.269 30.405 1.00 0.00 N ATOM 0 H LYS A 75 -2.176 26.439 28.888 1.00 0.00 H new ATOM 0 HA LYS A 75 0.409 25.788 30.186 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -0.797 27.080 32.134 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -0.002 27.977 30.856 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.187 28.970 31.230 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -2.207 28.185 29.663 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -3.644 26.492 30.362 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -3.070 26.532 32.018 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -5.081 27.585 32.379 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -4.162 29.006 31.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -6.237 28.875 30.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -4.924 28.732 29.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -5.814 27.355 30.074 1.00 0.00 H new ATOM 1173 N ASN A 76 -0.683 24.351 32.031 1.00 0.00 N ATOM 1174 CA ASN A 76 -1.219 23.245 32.817 1.00 0.00 C ATOM 1175 C ASN A 76 -0.683 23.307 34.241 1.00 0.00 C ATOM 1176 O ASN A 76 0.157 24.148 34.561 1.00 0.00 O ATOM 1177 CB ASN A 76 -0.837 21.917 32.170 1.00 0.00 C ATOM 1178 CG ASN A 76 -1.970 21.418 31.283 1.00 0.00 C ATOM 1179 OD1 ASN A 76 -3.142 21.497 31.653 1.00 0.00 O ATOM 1180 ND2 ASN A 76 -1.623 20.903 30.109 1.00 0.00 N ATOM 0 H ASN A 76 0.226 24.689 32.348 1.00 0.00 H new ATOM 0 HA ASN A 76 -2.306 23.325 32.848 1.00 0.00 H new ATOM 0 HB2 ASN A 76 0.070 22.040 31.578 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -0.617 21.179 32.941 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -2.340 20.553 29.473 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -0.639 20.857 29.843 1.00 0.00 H new ATOM 1187 N VAL A 77 -1.172 22.414 35.095 1.00 0.00 N ATOM 1188 CA VAL A 77 -0.739 22.373 36.488 1.00 0.00 C ATOM 1189 C VAL A 77 0.095 21.126 36.749 1.00 0.00 C ATOM 1190 O VAL A 77 0.044 20.162 35.986 1.00 0.00 O ATOM 1191 CB VAL A 77 -1.952 22.391 37.414 1.00 0.00 C ATOM 1192 CG1 VAL A 77 -1.511 22.410 38.874 1.00 0.00 C ATOM 1193 CG2 VAL A 77 -2.839 23.594 37.108 1.00 0.00 C ATOM 0 H VAL A 77 -1.867 21.710 34.848 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.126 23.252 36.687 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.530 21.483 37.242 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -2.389 22.423 39.519 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -0.918 21.521 39.086 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.910 23.300 39.061 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.699 23.591 37.777 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.270 24.512 37.253 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.183 23.539 36.075 1.00 0.00 H new ATOM 1203 N PHE A 78 0.865 21.153 37.832 1.00 0.00 N ATOM 1204 CA PHE A 78 1.715 20.025 38.197 1.00 0.00 C ATOM 1205 C PHE A 78 1.885 19.956 39.708 1.00 0.00 C ATOM 1206 O PHE A 78 2.229 20.948 40.350 1.00 0.00 O ATOM 1207 CB PHE A 78 3.078 20.162 37.525 1.00 0.00 C ATOM 1208 CG PHE A 78 2.983 20.303 36.027 1.00 0.00 C ATOM 1209 CD1 PHE A 78 2.775 19.184 35.238 1.00 0.00 C ATOM 1210 CD2 PHE A 78 3.102 21.551 35.439 1.00 0.00 C ATOM 1211 CE1 PHE A 78 2.688 19.313 33.861 1.00 0.00 C ATOM 1212 CE2 PHE A 78 3.014 21.680 34.062 1.00 0.00 C ATOM 1213 CZ PHE A 78 2.807 20.561 33.274 1.00 0.00 C ATOM 0 H PHE A 78 0.918 21.945 38.473 1.00 0.00 H new ATOM 0 HA PHE A 78 1.240 19.105 37.857 1.00 0.00 H new ATOM 0 HB2 PHE A 78 3.593 21.031 37.934 1.00 0.00 H new ATOM 0 HB3 PHE A 78 3.685 19.289 37.765 1.00 0.00 H new ATOM 0 HD1 PHE A 78 2.681 18.211 35.696 1.00 0.00 H new ATOM 0 HD2 PHE A 78 3.263 22.424 36.054 1.00 0.00 H new ATOM 0 HE1 PHE A 78 2.527 18.440 33.246 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.107 22.654 33.604 1.00 0.00 H new ATOM 0 HZ PHE A 78 2.738 20.662 32.201 1.00 0.00 H new ATOM 1223 N ASP A 79 1.642 18.778 40.270 1.00 0.00 N ATOM 1224 CA ASP A 79 1.767 18.574 41.708 1.00 0.00 C ATOM 1225 C ASP A 79 2.868 17.565 42.006 1.00 0.00 C ATOM 1226 O ASP A 79 3.320 16.844 41.117 1.00 0.00 O ATOM 1227 CB ASP A 79 0.440 18.084 42.279 1.00 0.00 C ATOM 1228 CG ASP A 79 0.087 16.720 41.700 1.00 0.00 C ATOM 1229 OD1 ASP A 79 0.093 16.581 40.459 1.00 0.00 O ATOM 1230 OD2 ASP A 79 -0.195 15.793 42.488 1.00 0.00 O ATOM 0 H ASP A 79 1.357 17.948 39.750 1.00 0.00 H new ATOM 0 HA ASP A 79 2.029 19.523 42.176 1.00 0.00 H new ATOM 0 HB2 ASP A 79 0.505 18.020 43.365 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -0.349 18.800 42.049 1.00 0.00 H new ATOM 1235 N ASP A 80 3.295 17.517 43.263 1.00 0.00 N ATOM 1236 CA ASP A 80 4.344 16.595 43.682 1.00 0.00 C ATOM 1237 C ASP A 80 5.568 16.735 42.785 1.00 0.00 C ATOM 1238 O ASP A 80 6.335 15.788 42.617 1.00 0.00 O ATOM 1239 CB ASP A 80 3.825 15.160 43.635 1.00 0.00 C ATOM 1240 CG ASP A 80 2.651 14.990 44.592 1.00 0.00 C ATOM 1241 OD1 ASP A 80 2.270 15.981 45.250 1.00 0.00 O ATOM 1242 OD2 ASP A 80 2.115 13.866 44.681 1.00 0.00 O ATOM 0 H ASP A 80 2.930 18.107 44.011 1.00 0.00 H new ATOM 0 HA ASP A 80 4.633 16.838 44.704 1.00 0.00 H new ATOM 0 HB2 ASP A 80 3.514 14.912 42.620 1.00 0.00 H new ATOM 0 HB3 ASP A 80 4.624 14.468 43.902 1.00 0.00 H new ATOM 1247 N VAL A 81 5.749 17.922 42.214 1.00 0.00 N ATOM 1248 CA VAL A 81 6.886 18.183 41.336 1.00 0.00 C ATOM 1249 C VAL A 81 8.203 18.019 42.095 1.00 0.00 C ATOM 1250 O VAL A 81 9.264 17.899 41.484 1.00 0.00 O ATOM 1251 CB VAL A 81 6.782 19.593 40.753 1.00 0.00 C ATOM 1252 CG1 VAL A 81 8.021 19.933 39.925 1.00 0.00 C ATOM 1253 CG2 VAL A 81 5.524 19.723 39.900 1.00 0.00 C ATOM 0 H VAL A 81 5.124 18.718 42.343 1.00 0.00 H new ATOM 0 HA VAL A 81 6.869 17.460 40.521 1.00 0.00 H new ATOM 0 HB VAL A 81 6.720 20.300 41.581 1.00 0.00 H new ATOM 0 HG11 VAL A 81 7.923 20.941 39.521 1.00 0.00 H new ATOM 0 HG12 VAL A 81 8.907 19.880 40.558 1.00 0.00 H new ATOM 0 HG13 VAL A 81 8.117 19.221 39.105 1.00 0.00 H new ATOM 0 HG21 VAL A 81 5.464 20.732 39.492 1.00 0.00 H new ATOM 0 HG22 VAL A 81 5.562 19.003 39.083 1.00 0.00 H new ATOM 0 HG23 VAL A 81 4.646 19.527 40.515 1.00 0.00 H new ATOM 1263 N VAL A 82 8.135 18.014 43.424 1.00 0.00 N ATOM 1264 CA VAL A 82 9.327 17.863 44.250 1.00 0.00 C ATOM 1265 C VAL A 82 8.976 17.173 45.564 1.00 0.00 C ATOM 1266 O VAL A 82 7.944 17.466 46.169 1.00 0.00 O ATOM 1267 CB VAL A 82 9.946 19.228 44.532 1.00 0.00 C ATOM 1268 CG1 VAL A 82 11.224 19.076 45.353 1.00 0.00 C ATOM 1269 CG2 VAL A 82 10.231 19.968 43.228 1.00 0.00 C ATOM 0 H VAL A 82 7.267 18.113 43.950 1.00 0.00 H new ATOM 0 HA VAL A 82 10.048 17.249 43.711 1.00 0.00 H new ATOM 0 HB VAL A 82 9.233 19.816 45.110 1.00 0.00 H new ATOM 0 HG11 VAL A 82 11.652 20.060 45.545 1.00 0.00 H new ATOM 0 HG12 VAL A 82 10.992 18.590 46.301 1.00 0.00 H new ATOM 0 HG13 VAL A 82 11.941 18.469 44.800 1.00 0.00 H new ATOM 0 HG21 VAL A 82 10.672 20.940 43.450 1.00 0.00 H new ATOM 0 HG22 VAL A 82 10.924 19.384 42.622 1.00 0.00 H new ATOM 0 HG23 VAL A 82 9.300 20.109 42.679 1.00 0.00 H new ATOM 1279 N PRO A 83 9.832 16.246 46.027 1.00 0.00 N ATOM 1280 CA PRO A 83 9.605 15.515 47.283 1.00 0.00 C ATOM 1281 C PRO A 83 9.817 16.401 48.505 1.00 0.00 C ATOM 1282 O PRO A 83 10.065 17.600 48.379 1.00 0.00 O ATOM 1283 CB PRO A 83 10.633 14.392 47.247 1.00 0.00 C ATOM 1284 CG PRO A 83 11.725 14.890 46.359 1.00 0.00 C ATOM 1285 CD PRO A 83 11.087 15.835 45.372 1.00 0.00 C ATOM 0 HA PRO A 83 8.580 15.154 47.363 1.00 0.00 H new ATOM 0 HB2 PRO A 83 11.008 14.169 48.246 1.00 0.00 H new ATOM 0 HB3 PRO A 83 10.198 13.472 46.858 1.00 0.00 H new ATOM 0 HG2 PRO A 83 12.494 15.399 46.940 1.00 0.00 H new ATOM 0 HG3 PRO A 83 12.211 14.062 45.843 1.00 0.00 H new ATOM 0 HD2 PRO A 83 11.729 16.692 45.168 1.00 0.00 H new ATOM 0 HD3 PRO A 83 10.896 15.345 44.417 1.00 0.00 H new ATOM 1293 N GLU A 84 9.722 15.803 49.688 1.00 0.00 N ATOM 1294 CA GLU A 84 9.907 16.539 50.935 1.00 0.00 C ATOM 1295 C GLU A 84 11.365 16.952 51.091 1.00 0.00 C ATOM 1296 O GLU A 84 11.671 18.131 51.273 1.00 0.00 O ATOM 1297 CB GLU A 84 9.484 15.674 52.119 1.00 0.00 C ATOM 1298 CG GLU A 84 8.056 15.163 51.950 1.00 0.00 C ATOM 1299 CD GLU A 84 7.087 16.332 51.843 1.00 0.00 C ATOM 1300 OE1 GLU A 84 6.805 16.969 52.880 1.00 0.00 O ATOM 1301 OE2 GLU A 84 6.610 16.610 50.722 1.00 0.00 O ATOM 0 H GLU A 84 9.518 14.811 49.810 1.00 0.00 H new ATOM 0 HA GLU A 84 9.287 17.435 50.908 1.00 0.00 H new ATOM 0 HB2 GLU A 84 10.166 14.829 52.217 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.559 16.252 53.040 1.00 0.00 H new ATOM 0 HG2 GLU A 84 7.988 14.542 51.057 1.00 0.00 H new ATOM 0 HG3 GLU A 84 7.785 14.533 52.797 1.00 0.00 H new ATOM 1308 N LYS A 85 12.261 15.974 51.018 1.00 0.00 N ATOM 1309 CA LYS A 85 13.691 16.229 51.150 1.00 0.00 C ATOM 1310 C LYS A 85 14.403 15.933 49.835 1.00 0.00 C ATOM 1311 O LYS A 85 15.188 14.990 49.740 1.00 0.00 O ATOM 1312 CB LYS A 85 14.271 15.362 52.264 1.00 0.00 C ATOM 1313 CG LYS A 85 15.569 15.952 52.807 1.00 0.00 C ATOM 1314 CD LYS A 85 16.023 15.224 54.068 1.00 0.00 C ATOM 1315 CE LYS A 85 17.474 14.769 53.950 1.00 0.00 C ATOM 1316 NZ LYS A 85 18.021 14.358 55.274 1.00 0.00 N ATOM 0 H LYS A 85 12.021 14.994 50.868 1.00 0.00 H new ATOM 0 HA LYS A 85 13.840 17.279 51.400 1.00 0.00 H new ATOM 0 HB2 LYS A 85 13.545 15.270 53.072 1.00 0.00 H new ATOM 0 HB3 LYS A 85 14.456 14.357 51.886 1.00 0.00 H new ATOM 0 HG2 LYS A 85 16.347 15.886 52.046 1.00 0.00 H new ATOM 0 HG3 LYS A 85 15.426 17.010 53.027 1.00 0.00 H new ATOM 0 HD2 LYS A 85 15.914 15.882 54.930 1.00 0.00 H new ATOM 0 HD3 LYS A 85 15.381 14.360 54.243 1.00 0.00 H new ATOM 0 HE2 LYS A 85 17.540 13.935 53.252 1.00 0.00 H new ATOM 0 HE3 LYS A 85 18.079 15.577 53.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 19.009 14.054 55.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 17.979 15.162 55.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 17.457 13.571 55.653 1.00 0.00 H new ATOM 1330 N TYR A 86 14.119 16.744 48.822 1.00 0.00 N ATOM 1331 CA TYR A 86 14.726 16.573 47.506 1.00 0.00 C ATOM 1332 C TYR A 86 16.245 16.629 47.603 1.00 0.00 C ATOM 1333 O TYR A 86 16.801 16.903 48.666 1.00 0.00 O ATOM 1334 CB TYR A 86 14.228 17.660 46.558 1.00 0.00 C ATOM 1335 CG TYR A 86 14.680 19.041 46.960 1.00 0.00 C ATOM 1336 CD1 TYR A 86 15.957 19.472 46.645 1.00 0.00 C ATOM 1337 CD2 TYR A 86 13.819 19.880 47.647 1.00 0.00 C ATOM 1338 CE1 TYR A 86 16.372 20.740 47.017 1.00 0.00 C ATOM 1339 CE2 TYR A 86 14.236 21.148 48.017 1.00 0.00 C ATOM 1340 CZ TYR A 86 15.510 21.571 47.700 1.00 0.00 C ATOM 1341 OH TYR A 86 15.924 22.830 48.070 1.00 0.00 O ATOM 0 H TYR A 86 13.470 17.529 48.887 1.00 0.00 H new ATOM 0 HA TYR A 86 14.438 15.596 47.118 1.00 0.00 H new ATOM 0 HB2 TYR A 86 14.583 17.446 45.550 1.00 0.00 H new ATOM 0 HB3 TYR A 86 13.139 17.635 46.525 1.00 0.00 H new ATOM 0 HD1 TYR A 86 16.630 18.819 46.109 1.00 0.00 H new ATOM 0 HD2 TYR A 86 12.822 19.546 47.894 1.00 0.00 H new ATOM 0 HE1 TYR A 86 17.369 21.077 46.773 1.00 0.00 H new ATOM 0 HE2 TYR A 86 13.565 21.804 48.552 1.00 0.00 H new ATOM 0 HH TYR A 86 15.197 23.288 48.542 1.00 0.00 H new ATOM 1351 N THR A 87 16.910 16.370 46.482 1.00 0.00 N ATOM 1352 CA THR A 87 18.367 16.391 46.425 1.00 0.00 C ATOM 1353 C THR A 87 18.830 16.778 45.026 1.00 0.00 C ATOM 1354 O THR A 87 18.515 16.101 44.048 1.00 0.00 O ATOM 1355 CB THR A 87 18.926 15.020 46.799 1.00 0.00 C ATOM 1356 OG1 THR A 87 18.374 14.591 48.034 1.00 0.00 O ATOM 1357 CG2 THR A 87 20.449 15.064 46.894 1.00 0.00 C ATOM 0 H THR A 87 16.460 16.142 45.596 1.00 0.00 H new ATOM 0 HA THR A 87 18.736 17.129 47.137 1.00 0.00 H new ATOM 0 HB THR A 87 18.650 14.311 46.018 1.00 0.00 H new ATOM 0 HG1 THR A 87 18.736 13.710 48.266 1.00 0.00 H new ATOM 0 HG21 THR A 87 20.826 14.077 47.162 1.00 0.00 H new ATOM 0 HG22 THR A 87 20.865 15.363 45.932 1.00 0.00 H new ATOM 0 HG23 THR A 87 20.745 15.784 47.657 1.00 0.00 H new ATOM 1365 N ILE A 88 19.577 17.875 44.937 1.00 0.00 N ATOM 1366 CA ILE A 88 20.082 18.360 43.655 1.00 0.00 C ATOM 1367 C ILE A 88 20.738 17.230 42.871 1.00 0.00 C ATOM 1368 O ILE A 88 21.856 16.815 43.178 1.00 0.00 O ATOM 1369 CB ILE A 88 21.085 19.486 43.885 1.00 0.00 C ATOM 1370 CG1 ILE A 88 20.441 20.615 44.686 1.00 0.00 C ATOM 1371 CG2 ILE A 88 21.617 20.013 42.556 1.00 0.00 C ATOM 1372 CD1 ILE A 88 20.850 20.558 46.154 1.00 0.00 C ATOM 0 H ILE A 88 19.847 18.446 45.738 1.00 0.00 H new ATOM 0 HA ILE A 88 19.242 18.740 43.073 1.00 0.00 H new ATOM 0 HB ILE A 88 21.924 19.088 44.456 1.00 0.00 H new ATOM 0 HG12 ILE A 88 20.733 21.576 44.262 1.00 0.00 H new ATOM 0 HG13 ILE A 88 19.356 20.547 44.606 1.00 0.00 H new ATOM 0 HG21 ILE A 88 22.331 20.815 42.742 1.00 0.00 H new ATOM 0 HG22 ILE A 88 22.112 19.205 42.016 1.00 0.00 H new ATOM 0 HG23 ILE A 88 20.789 20.395 41.959 1.00 0.00 H new ATOM 0 HD11 ILE A 88 20.374 21.375 46.696 1.00 0.00 H new ATOM 0 HD12 ILE A 88 20.535 19.607 46.583 1.00 0.00 H new ATOM 0 HD13 ILE A 88 21.933 20.651 46.234 1.00 0.00 H new ATOM 1384 N GLY A 89 20.036 16.735 41.856 1.00 0.00 N ATOM 1385 CA GLY A 89 20.548 15.651 41.024 1.00 0.00 C ATOM 1386 C GLY A 89 19.486 14.579 40.818 1.00 0.00 C ATOM 1387 O GLY A 89 19.725 13.398 41.072 1.00 0.00 O ATOM 0 H GLY A 89 19.109 17.068 41.590 1.00 0.00 H new ATOM 0 HA2 GLY A 89 20.864 16.046 40.059 1.00 0.00 H new ATOM 0 HA3 GLY A 89 21.429 15.212 41.493 1.00 0.00 H new ATOM 1391 N ALA A 90 18.312 14.995 40.352 1.00 0.00 N ATOM 1392 CA ALA A 90 17.211 14.069 40.109 1.00 0.00 C ATOM 1393 C ALA A 90 16.053 14.793 39.436 1.00 0.00 C ATOM 1394 O ALA A 90 15.749 15.938 39.771 1.00 0.00 O ATOM 1395 CB ALA A 90 16.747 13.454 41.426 1.00 0.00 C ATOM 0 H ALA A 90 18.099 15.969 40.135 1.00 0.00 H new ATOM 0 HA ALA A 90 17.559 13.275 39.449 1.00 0.00 H new ATOM 0 HB1 ALA A 90 15.925 12.764 41.236 1.00 0.00 H new ATOM 0 HB2 ALA A 90 17.574 12.914 41.887 1.00 0.00 H new ATOM 0 HB3 ALA A 90 16.410 14.244 42.097 1.00 0.00 H new ATOM 1401 N THR A 91 15.408 14.123 38.486 1.00 0.00 N ATOM 1402 CA THR A 91 14.283 14.715 37.769 1.00 0.00 C ATOM 1403 C THR A 91 12.962 14.261 38.375 1.00 0.00 C ATOM 1404 O THR A 91 12.386 13.257 37.956 1.00 0.00 O ATOM 1405 CB THR A 91 14.330 14.330 36.294 1.00 0.00 C ATOM 1406 OG1 THR A 91 15.615 14.611 35.760 1.00 0.00 O ATOM 1407 CG2 THR A 91 13.259 15.082 35.507 1.00 0.00 C ATOM 0 H THR A 91 15.643 13.174 38.195 1.00 0.00 H new ATOM 0 HA THR A 91 14.358 15.799 37.857 1.00 0.00 H new ATOM 0 HB THR A 91 14.134 13.261 36.208 1.00 0.00 H new ATOM 0 HG1 THR A 91 15.638 14.360 34.813 1.00 0.00 H new ATOM 0 HG21 THR A 91 13.309 14.793 34.457 1.00 0.00 H new ATOM 0 HG22 THR A 91 12.275 14.835 35.905 1.00 0.00 H new ATOM 0 HG23 THR A 91 13.428 16.155 35.597 1.00 0.00 H new ATOM 1415 N TYR A 92 12.483 15.013 39.359 1.00 0.00 N ATOM 1416 CA TYR A 92 11.223 14.699 40.022 1.00 0.00 C ATOM 1417 C TYR A 92 10.059 14.955 39.071 1.00 0.00 C ATOM 1418 O TYR A 92 10.236 14.954 37.853 1.00 0.00 O ATOM 1419 CB TYR A 92 11.087 15.552 41.281 1.00 0.00 C ATOM 1420 CG TYR A 92 12.313 15.488 42.156 1.00 0.00 C ATOM 1421 CD1 TYR A 92 12.603 14.331 42.859 1.00 0.00 C ATOM 1422 CD2 TYR A 92 13.157 16.582 42.251 1.00 0.00 C ATOM 1423 CE1 TYR A 92 13.733 14.269 43.657 1.00 0.00 C ATOM 1424 CE2 TYR A 92 14.286 16.518 43.051 1.00 0.00 C ATOM 1425 CZ TYR A 92 14.569 15.362 43.749 1.00 0.00 C ATOM 1426 OH TYR A 92 15.692 15.299 44.541 1.00 0.00 O ATOM 0 H TYR A 92 12.950 15.847 39.716 1.00 0.00 H new ATOM 0 HA TYR A 92 11.210 13.647 40.306 1.00 0.00 H new ATOM 0 HB2 TYR A 92 10.901 16.588 40.996 1.00 0.00 H new ATOM 0 HB3 TYR A 92 10.220 15.218 41.851 1.00 0.00 H new ATOM 0 HD1 TYR A 92 11.947 13.476 42.785 1.00 0.00 H new ATOM 0 HD2 TYR A 92 12.935 17.485 41.701 1.00 0.00 H new ATOM 0 HE1 TYR A 92 13.959 13.367 44.206 1.00 0.00 H new ATOM 0 HE2 TYR A 92 14.943 17.371 43.128 1.00 0.00 H new ATOM 0 HH TYR A 92 16.481 15.534 44.009 1.00 0.00 H new ATOM 1436 N ALA A 93 8.867 15.178 39.624 1.00 0.00 N ATOM 1437 CA ALA A 93 7.676 15.439 38.814 1.00 0.00 C ATOM 1438 C ALA A 93 7.146 14.147 38.204 1.00 0.00 C ATOM 1439 O ALA A 93 7.770 13.093 38.320 1.00 0.00 O ATOM 1440 CB ALA A 93 7.993 16.436 37.703 1.00 0.00 C ATOM 0 H ALA A 93 8.700 15.183 40.630 1.00 0.00 H new ATOM 0 HA ALA A 93 6.912 15.862 39.466 1.00 0.00 H new ATOM 0 HB1 ALA A 93 7.096 16.618 37.111 1.00 0.00 H new ATOM 0 HB2 ALA A 93 8.335 17.373 38.142 1.00 0.00 H new ATOM 0 HB3 ALA A 93 8.775 16.029 37.062 1.00 0.00 H new ATOM 1446 N PRO A 94 5.978 14.217 37.540 1.00 0.00 N ATOM 1447 CA PRO A 94 5.358 13.046 36.903 1.00 0.00 C ATOM 1448 C PRO A 94 6.074 12.646 35.618 1.00 0.00 C ATOM 1449 O PRO A 94 7.178 12.068 35.706 1.00 0.00 O ATOM 1450 CB PRO A 94 3.935 13.498 36.608 1.00 0.00 C ATOM 1451 CG PRO A 94 4.002 14.988 36.510 1.00 0.00 C ATOM 1452 CD PRO A 94 5.169 15.437 37.356 1.00 0.00 C ATOM 0 HA PRO A 94 5.404 12.165 37.543 1.00 0.00 H new ATOM 0 HB2 PRO A 94 3.568 13.060 35.680 1.00 0.00 H new ATOM 0 HB3 PRO A 94 3.252 13.187 37.399 1.00 0.00 H new ATOM 0 HG2 PRO A 94 4.135 15.300 35.474 1.00 0.00 H new ATOM 0 HG3 PRO A 94 3.075 15.439 36.863 1.00 0.00 H new ATOM 0 HD2 PRO A 94 5.740 16.222 36.861 1.00 0.00 H new ATOM 0 HD3 PRO A 94 4.835 15.841 38.312 1.00 0.00 H new TER 1460 PRO A 94