USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 541 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 MET CE :methyl -160:sc= -0.0883 (180deg=-0.573) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= 0.177 K(o=0.18,f=-1.5) USER MOD Single : A 13 ASN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 21 ASN : amide:sc= -0.0278 K(o=-0.028,f=-2.1) USER MOD Single : A 25 GLN :FLIP amide:sc= -0.883 F(o=-3.2!,f=-0.88) USER MOD Single : A 26 HIS : no HD1:sc= 0.924 K(o=0.92,f=-4!) USER MOD Single : A 27 SER OG : rot 180:sc= -0.0371 USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0.00925 USER MOD Single : A 51 CYS SG : rot 107:sc= 1.01 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= 1.22 K(o=1.2,f=-0.13) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.0145 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl -151:sc= 0 (180deg=-0.827) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.312 28.658 -50.980 1.00 31.20 N ATOM 2 CA GLY A 1 7.418 27.672 -51.011 1.00 10.23 C ATOM 3 C GLY A 1 8.748 28.295 -50.644 1.00 51.44 C ATOM 4 O GLY A 1 9.615 28.475 -51.501 1.00 41.30 O ATOM 0 H1 GLY A 1 5.421 28.188 -51.238 1.00 31.20 H new ATOM 0 H2 GLY A 1 6.229 29.057 -50.023 1.00 31.20 H new ATOM 0 H3 GLY A 1 6.509 29.422 -51.658 1.00 31.20 H new ATOM 0 HA2 GLY A 1 7.197 26.858 -50.320 1.00 10.23 H new ATOM 0 HA3 GLY A 1 7.486 27.235 -52.007 1.00 10.23 H new ATOM 10 N SER A 2 8.916 28.621 -49.373 1.00 44.31 N ATOM 11 CA SER A 2 10.138 29.257 -48.906 1.00 51.41 C ATOM 12 C SER A 2 11.030 28.257 -48.175 1.00 3.41 C ATOM 13 O SER A 2 11.966 28.647 -47.477 1.00 33.54 O ATOM 14 CB SER A 2 9.792 30.430 -47.986 1.00 75.52 C ATOM 15 OG SER A 2 8.905 31.331 -48.628 1.00 2.30 O ATOM 0 H SER A 2 8.221 28.456 -48.645 1.00 44.31 H new ATOM 0 HA SER A 2 10.687 29.628 -49.771 1.00 51.41 H new ATOM 0 HB2 SER A 2 9.337 30.056 -47.069 1.00 75.52 H new ATOM 0 HB3 SER A 2 10.704 30.954 -47.699 1.00 75.52 H new ATOM 0 HG SER A 2 8.696 32.072 -48.022 1.00 2.30 H new ATOM 21 N HIS A 3 10.731 26.965 -48.345 1.00 30.40 N ATOM 22 CA HIS A 3 11.500 25.891 -47.710 1.00 72.41 C ATOM 23 C HIS A 3 11.472 26.032 -46.192 1.00 50.22 C ATOM 24 O HIS A 3 12.428 25.679 -45.505 1.00 32.52 O ATOM 25 CB HIS A 3 12.948 25.884 -48.216 1.00 44.24 C ATOM 26 CG HIS A 3 13.074 25.540 -49.667 1.00 22.24 C ATOM 27 ND1 HIS A 3 13.229 26.485 -50.655 1.00 21.41 N ATOM 28 CD2 HIS A 3 13.066 24.342 -50.296 1.00 61.01 C ATOM 29 CE1 HIS A 3 13.311 25.887 -51.826 1.00 61.52 C ATOM 30 NE2 HIS A 3 13.215 24.586 -51.639 1.00 75.34 N ATOM 0 H HIS A 3 9.956 26.637 -48.921 1.00 30.40 H new ATOM 0 HA HIS A 3 11.036 24.942 -47.979 1.00 72.41 H new ATOM 0 HB2 HIS A 3 13.389 26.866 -48.044 1.00 44.24 H new ATOM 0 HB3 HIS A 3 13.525 25.169 -47.630 1.00 44.24 H new ATOM 0 HD2 HIS A 3 12.962 23.374 -49.829 1.00 61.01 H new ATOM 0 HE1 HIS A 3 13.436 26.380 -52.779 1.00 61.52 H new ATOM 0 HE2 HIS A 3 13.246 23.877 -52.372 1.00 75.34 H new ATOM 39 N MET A 4 10.358 26.530 -45.677 1.00 3.32 N ATOM 40 CA MET A 4 10.222 26.781 -44.250 1.00 2.41 C ATOM 41 C MET A 4 9.340 25.729 -43.595 1.00 55.24 C ATOM 42 O MET A 4 8.335 25.299 -44.166 1.00 31.15 O ATOM 43 CB MET A 4 9.639 28.177 -44.006 1.00 71.04 C ATOM 44 CG MET A 4 8.264 28.386 -44.621 1.00 71.13 C ATOM 45 SD MET A 4 7.566 30.004 -44.236 1.00 63.41 S ATOM 46 CE MET A 4 7.344 29.868 -42.463 1.00 35.41 C ATOM 0 H MET A 4 9.533 26.769 -46.227 1.00 3.32 H new ATOM 0 HA MET A 4 11.215 26.727 -43.803 1.00 2.41 H new ATOM 0 HB2 MET A 4 9.576 28.351 -42.932 1.00 71.04 H new ATOM 0 HB3 MET A 4 10.324 28.922 -44.410 1.00 71.04 H new ATOM 0 HG2 MET A 4 8.334 28.273 -45.703 1.00 71.13 H new ATOM 0 HG3 MET A 4 7.589 27.609 -44.263 1.00 71.13 H new ATOM 0 HE1 MET A 4 6.618 30.609 -42.129 1.00 35.41 H new ATOM 0 HE2 MET A 4 6.982 28.870 -42.217 1.00 35.41 H new ATOM 0 HE3 MET A 4 8.297 30.042 -41.963 1.00 35.41 H new ATOM 56 N SER A 5 9.733 25.306 -42.406 1.00 72.44 N ATOM 57 CA SER A 5 8.931 24.394 -41.617 1.00 62.14 C ATOM 58 C SER A 5 8.041 25.188 -40.663 1.00 41.42 C ATOM 59 O SER A 5 8.354 26.327 -40.312 1.00 73.33 O ATOM 60 CB SER A 5 9.841 23.442 -40.836 1.00 23.11 C ATOM 61 OG SER A 5 10.826 22.874 -41.687 1.00 55.22 O ATOM 0 H SER A 5 10.610 25.584 -41.965 1.00 72.44 H new ATOM 0 HA SER A 5 8.297 23.803 -42.278 1.00 62.14 H new ATOM 0 HB2 SER A 5 10.325 23.981 -40.021 1.00 23.11 H new ATOM 0 HB3 SER A 5 9.244 22.650 -40.384 1.00 23.11 H new ATOM 0 HG SER A 5 11.398 22.270 -41.168 1.00 55.22 H new ATOM 67 N THR A 6 6.933 24.594 -40.259 1.00 40.04 N ATOM 68 CA THR A 6 6.007 25.250 -39.355 1.00 24.21 C ATOM 69 C THR A 6 6.150 24.672 -37.954 1.00 14.44 C ATOM 70 O THR A 6 6.148 23.453 -37.783 1.00 35.34 O ATOM 71 CB THR A 6 4.549 25.085 -39.834 1.00 73.13 C ATOM 72 OG1 THR A 6 4.430 25.507 -41.202 1.00 12.14 O ATOM 73 CG2 THR A 6 3.594 25.894 -38.965 1.00 54.50 C ATOM 0 H THR A 6 6.652 23.656 -40.544 1.00 40.04 H new ATOM 0 HA THR A 6 6.248 26.313 -39.340 1.00 24.21 H new ATOM 0 HB THR A 6 4.283 24.031 -39.753 1.00 73.13 H new ATOM 0 HG1 THR A 6 3.502 25.397 -41.499 1.00 12.14 H new ATOM 0 HG21 THR A 6 2.574 25.760 -39.324 1.00 54.50 H new ATOM 0 HG22 THR A 6 3.663 25.552 -37.932 1.00 54.50 H new ATOM 0 HG23 THR A 6 3.861 26.950 -39.016 1.00 54.50 H new ATOM 81 N ASN A 7 6.296 25.542 -36.960 1.00 21.12 N ATOM 82 CA ASN A 7 6.413 25.097 -35.577 1.00 5.45 C ATOM 83 C ASN A 7 5.097 25.294 -34.836 1.00 71.11 C ATOM 84 O ASN A 7 4.781 26.403 -34.403 1.00 71.44 O ATOM 85 CB ASN A 7 7.510 25.873 -34.839 1.00 2.25 C ATOM 86 CG ASN A 7 8.919 25.522 -35.278 1.00 64.14 C ATOM 87 OD1 ASN A 7 9.171 25.194 -36.440 1.00 33.10 O ATOM 88 ND2 ASN A 7 9.850 25.590 -34.340 1.00 14.13 N ATOM 0 H ASN A 7 6.336 26.553 -37.085 1.00 21.12 H new ATOM 0 HA ASN A 7 6.670 24.038 -35.598 1.00 5.45 H new ATOM 0 HB2 ASN A 7 7.349 26.940 -34.990 1.00 2.25 H new ATOM 0 HB3 ASN A 7 7.417 25.685 -33.769 1.00 2.25 H new ATOM 0 HD21 ASN A 7 10.819 25.367 -34.566 1.00 14.13 H new ATOM 0 HD22 ASN A 7 9.598 25.866 -33.391 1.00 14.13 H new ATOM 95 N PRO A 8 4.300 24.227 -34.693 1.00 32.14 N ATOM 96 CA PRO A 8 3.092 24.246 -33.892 1.00 3.51 C ATOM 97 C PRO A 8 3.307 23.629 -32.512 1.00 72.03 C ATOM 98 O PRO A 8 2.480 23.780 -31.613 1.00 13.12 O ATOM 99 CB PRO A 8 2.146 23.382 -34.727 1.00 60.32 C ATOM 100 CG PRO A 8 3.029 22.450 -35.511 1.00 2.35 C ATOM 101 CD PRO A 8 4.455 22.931 -35.360 1.00 35.24 C ATOM 0 HA PRO A 8 2.727 25.254 -33.692 1.00 3.51 H new ATOM 0 HB2 PRO A 8 1.459 22.826 -34.089 1.00 60.32 H new ATOM 0 HB3 PRO A 8 1.538 23.997 -35.391 1.00 60.32 H new ATOM 0 HG2 PRO A 8 2.929 21.429 -35.143 1.00 2.35 H new ATOM 0 HG3 PRO A 8 2.738 22.441 -36.561 1.00 2.35 H new ATOM 0 HD2 PRO A 8 5.052 22.240 -34.765 1.00 35.24 H new ATOM 0 HD3 PRO A 8 4.951 23.031 -36.325 1.00 35.24 H new ATOM 109 N PHE A 9 4.429 22.936 -32.355 1.00 64.42 N ATOM 110 CA PHE A 9 4.723 22.206 -31.134 1.00 65.22 C ATOM 111 C PHE A 9 6.125 22.533 -30.639 1.00 52.40 C ATOM 112 O PHE A 9 7.118 22.066 -31.202 1.00 1.13 O ATOM 113 CB PHE A 9 4.602 20.697 -31.369 1.00 74.45 C ATOM 114 CG PHE A 9 3.301 20.273 -31.991 1.00 53.32 C ATOM 115 CD1 PHE A 9 2.099 20.565 -31.373 1.00 14.23 C ATOM 116 CD2 PHE A 9 3.285 19.574 -33.187 1.00 55.12 C ATOM 117 CE1 PHE A 9 0.900 20.170 -31.937 1.00 51.32 C ATOM 118 CE2 PHE A 9 2.091 19.178 -33.757 1.00 3.35 C ATOM 119 CZ PHE A 9 0.896 19.476 -33.132 1.00 24.54 C ATOM 0 H PHE A 9 5.155 22.866 -33.068 1.00 64.42 H new ATOM 0 HA PHE A 9 3.999 22.509 -30.377 1.00 65.22 H new ATOM 0 HB2 PHE A 9 5.421 20.374 -32.011 1.00 74.45 H new ATOM 0 HB3 PHE A 9 4.721 20.181 -30.416 1.00 74.45 H new ATOM 0 HD1 PHE A 9 2.097 21.108 -30.439 1.00 14.23 H new ATOM 0 HD2 PHE A 9 4.217 19.336 -33.679 1.00 55.12 H new ATOM 0 HE1 PHE A 9 -0.032 20.404 -31.444 1.00 51.32 H new ATOM 0 HE2 PHE A 9 2.092 18.636 -34.691 1.00 3.35 H new ATOM 0 HZ PHE A 9 -0.039 19.168 -33.576 1.00 24.54 H new ATOM 129 N ASP A 10 6.196 23.344 -29.598 1.00 53.22 N ATOM 130 CA ASP A 10 7.463 23.693 -28.968 1.00 14.33 C ATOM 131 C ASP A 10 7.291 23.705 -27.458 1.00 73.42 C ATOM 132 O ASP A 10 6.191 23.465 -26.958 1.00 2.11 O ATOM 133 CB ASP A 10 7.968 25.060 -29.448 1.00 13.04 C ATOM 134 CG ASP A 10 8.747 24.980 -30.747 1.00 73.13 C ATOM 135 OD1 ASP A 10 9.915 24.534 -30.717 1.00 30.21 O ATOM 136 OD2 ASP A 10 8.208 25.386 -31.797 1.00 23.45 O ATOM 0 H ASP A 10 5.382 23.779 -29.165 1.00 53.22 H new ATOM 0 HA ASP A 10 8.204 22.945 -29.250 1.00 14.33 H new ATOM 0 HB2 ASP A 10 7.118 25.729 -29.581 1.00 13.04 H new ATOM 0 HB3 ASP A 10 8.601 25.499 -28.677 1.00 13.04 H new ATOM 141 N ASP A 11 8.361 23.980 -26.733 1.00 31.23 N ATOM 142 CA ASP A 11 8.280 24.053 -25.281 1.00 35.51 C ATOM 143 C ASP A 11 8.022 25.485 -24.850 1.00 71.44 C ATOM 144 O ASP A 11 8.942 26.222 -24.495 1.00 54.05 O ATOM 145 CB ASP A 11 9.547 23.508 -24.617 1.00 61.34 C ATOM 146 CG ASP A 11 9.633 21.997 -24.692 1.00 53.53 C ATOM 147 OD1 ASP A 11 8.919 21.318 -23.924 1.00 3.52 O ATOM 148 OD2 ASP A 11 10.431 21.480 -25.503 1.00 42.35 O ATOM 0 H ASP A 11 9.289 24.155 -27.119 1.00 31.23 H new ATOM 0 HA ASP A 11 7.449 23.427 -24.956 1.00 35.51 H new ATOM 0 HB2 ASP A 11 10.423 23.944 -25.098 1.00 61.34 H new ATOM 0 HB3 ASP A 11 9.570 23.819 -23.573 1.00 61.34 H new ATOM 153 N ASP A 12 6.761 25.881 -24.934 1.00 65.11 N ATOM 154 CA ASP A 12 6.352 27.244 -24.624 1.00 24.13 C ATOM 155 C ASP A 12 5.503 27.292 -23.357 1.00 30.20 C ATOM 156 O ASP A 12 4.982 28.345 -22.985 1.00 73.51 O ATOM 157 CB ASP A 12 5.558 27.828 -25.800 1.00 60.44 C ATOM 158 CG ASP A 12 4.273 27.063 -26.081 1.00 73.13 C ATOM 159 OD1 ASP A 12 4.343 25.841 -26.333 1.00 41.33 O ATOM 160 OD2 ASP A 12 3.186 27.677 -26.051 1.00 30.44 O ATOM 0 H ASP A 12 5.995 25.270 -25.218 1.00 65.11 H new ATOM 0 HA ASP A 12 7.251 27.838 -24.455 1.00 24.13 H new ATOM 0 HB2 ASP A 12 5.317 28.870 -25.588 1.00 60.44 H new ATOM 0 HB3 ASP A 12 6.182 27.821 -26.693 1.00 60.44 H new ATOM 165 N ASN A 13 5.375 26.156 -22.684 1.00 24.34 N ATOM 166 CA ASN A 13 4.545 26.075 -21.487 1.00 3.22 C ATOM 167 C ASN A 13 5.299 26.586 -20.262 1.00 11.43 C ATOM 168 O ASN A 13 5.919 25.811 -19.530 1.00 23.33 O ATOM 169 CB ASN A 13 4.065 24.641 -21.247 1.00 25.12 C ATOM 170 CG ASN A 13 3.107 24.540 -20.072 1.00 32.43 C ATOM 171 OD1 ASN A 13 2.326 25.457 -19.811 1.00 55.12 O ATOM 172 ND2 ASN A 13 3.164 23.433 -19.350 1.00 12.21 N ATOM 0 H ASN A 13 5.832 25.282 -22.944 1.00 24.34 H new ATOM 0 HA ASN A 13 3.674 26.710 -21.648 1.00 3.22 H new ATOM 0 HB2 ASN A 13 3.573 24.270 -22.146 1.00 25.12 H new ATOM 0 HB3 ASN A 13 4.926 23.998 -21.066 1.00 25.12 H new ATOM 0 HD21 ASN A 13 2.548 23.316 -18.546 1.00 12.21 H new ATOM 0 HD22 ASN A 13 3.824 22.696 -19.598 1.00 12.21 H new ATOM 179 N GLY A 14 5.261 27.896 -20.064 1.00 51.13 N ATOM 180 CA GLY A 14 5.872 28.498 -18.893 1.00 21.14 C ATOM 181 C GLY A 14 7.387 28.478 -18.939 1.00 35.24 C ATOM 182 O GLY A 14 7.989 28.758 -19.974 1.00 24.13 O ATOM 0 H GLY A 14 4.814 28.558 -20.698 1.00 51.13 H new ATOM 0 HA2 GLY A 14 5.530 29.529 -18.801 1.00 21.14 H new ATOM 0 HA3 GLY A 14 5.534 27.970 -18.001 1.00 21.14 H new ATOM 186 N ALA A 15 8.000 28.139 -17.813 1.00 10.03 N ATOM 187 CA ALA A 15 9.450 28.104 -17.712 1.00 40.42 C ATOM 188 C ALA A 15 9.913 26.894 -16.905 1.00 10.11 C ATOM 189 O ALA A 15 9.196 26.399 -16.034 1.00 53.33 O ATOM 190 CB ALA A 15 9.967 29.392 -17.089 1.00 42.14 C ATOM 0 H ALA A 15 7.512 27.884 -16.954 1.00 10.03 H new ATOM 0 HA ALA A 15 9.860 28.014 -18.718 1.00 40.42 H new ATOM 0 HB1 ALA A 15 11.054 29.352 -17.020 1.00 42.14 H new ATOM 0 HB2 ALA A 15 9.674 30.239 -17.709 1.00 42.14 H new ATOM 0 HB3 ALA A 15 9.544 29.509 -16.091 1.00 42.14 H new ATOM 196 N PHE A 16 11.118 26.436 -17.198 1.00 2.14 N ATOM 197 CA PHE A 16 11.682 25.249 -16.570 1.00 60.34 C ATOM 198 C PHE A 16 13.158 25.471 -16.266 1.00 23.33 C ATOM 199 O PHE A 16 13.846 26.189 -16.987 1.00 2.33 O ATOM 200 CB PHE A 16 11.509 24.033 -17.494 1.00 41.43 C ATOM 201 CG PHE A 16 11.514 24.400 -18.947 1.00 42.52 C ATOM 202 CD1 PHE A 16 12.626 24.984 -19.516 1.00 52.44 C ATOM 203 CD2 PHE A 16 10.396 24.178 -19.739 1.00 61.53 C ATOM 204 CE1 PHE A 16 12.633 25.345 -20.838 1.00 24.33 C ATOM 205 CE2 PHE A 16 10.400 24.536 -21.074 1.00 23.23 C ATOM 206 CZ PHE A 16 11.522 25.121 -21.626 1.00 4.31 C ATOM 0 H PHE A 16 11.736 26.876 -17.880 1.00 2.14 H new ATOM 0 HA PHE A 16 11.155 25.059 -15.635 1.00 60.34 H new ATOM 0 HB2 PHE A 16 12.311 23.320 -17.302 1.00 41.43 H new ATOM 0 HB3 PHE A 16 10.572 23.531 -17.254 1.00 41.43 H new ATOM 0 HD1 PHE A 16 13.504 25.159 -18.911 1.00 52.44 H new ATOM 0 HD2 PHE A 16 9.516 23.722 -19.309 1.00 61.53 H new ATOM 0 HE1 PHE A 16 13.511 25.807 -21.265 1.00 24.33 H new ATOM 0 HE2 PHE A 16 9.527 24.358 -21.684 1.00 23.23 H new ATOM 0 HZ PHE A 16 11.530 25.402 -22.669 1.00 4.31 H new ATOM 216 N PHE A 17 13.629 24.874 -15.188 1.00 3.34 N ATOM 217 CA PHE A 17 15.035 24.956 -14.818 1.00 51.42 C ATOM 218 C PHE A 17 15.665 23.572 -14.821 1.00 72.30 C ATOM 219 O PHE A 17 14.963 22.559 -14.789 1.00 3.33 O ATOM 220 CB PHE A 17 15.203 25.562 -13.418 1.00 31.34 C ATOM 221 CG PHE A 17 15.212 27.065 -13.355 1.00 30.40 C ATOM 222 CD1 PHE A 17 14.278 27.816 -14.042 1.00 64.43 C ATOM 223 CD2 PHE A 17 16.161 27.724 -12.587 1.00 72.20 C ATOM 224 CE1 PHE A 17 14.290 29.195 -13.970 1.00 12.45 C ATOM 225 CE2 PHE A 17 16.175 29.103 -12.510 1.00 73.11 C ATOM 226 CZ PHE A 17 15.237 29.840 -13.202 1.00 52.41 C ATOM 0 H PHE A 17 13.057 24.323 -14.548 1.00 3.34 H new ATOM 0 HA PHE A 17 15.528 25.594 -15.551 1.00 51.42 H new ATOM 0 HB2 PHE A 17 14.396 25.195 -12.784 1.00 31.34 H new ATOM 0 HB3 PHE A 17 16.136 25.193 -12.992 1.00 31.34 H new ATOM 0 HD1 PHE A 17 13.530 27.319 -14.642 1.00 64.43 H new ATOM 0 HD2 PHE A 17 16.898 27.152 -12.043 1.00 72.20 H new ATOM 0 HE1 PHE A 17 13.556 29.770 -14.516 1.00 12.45 H new ATOM 0 HE2 PHE A 17 16.920 29.603 -11.909 1.00 73.11 H new ATOM 0 HZ PHE A 17 15.244 30.918 -13.143 1.00 52.41 H new ATOM 236 N VAL A 18 16.990 23.534 -14.846 1.00 4.01 N ATOM 237 CA VAL A 18 17.714 22.284 -14.710 1.00 72.22 C ATOM 238 C VAL A 18 18.044 22.053 -13.240 1.00 33.02 C ATOM 239 O VAL A 18 18.989 22.639 -12.700 1.00 72.11 O ATOM 240 CB VAL A 18 19.010 22.268 -15.552 1.00 32.12 C ATOM 241 CG1 VAL A 18 19.776 20.968 -15.343 1.00 55.43 C ATOM 242 CG2 VAL A 18 18.691 22.474 -17.026 1.00 12.33 C ATOM 0 H VAL A 18 17.583 24.356 -14.959 1.00 4.01 H new ATOM 0 HA VAL A 18 17.077 21.482 -15.083 1.00 72.22 H new ATOM 0 HB VAL A 18 19.643 23.090 -15.219 1.00 32.12 H new ATOM 0 HG11 VAL A 18 20.684 20.980 -15.946 1.00 55.43 H new ATOM 0 HG12 VAL A 18 20.040 20.867 -14.290 1.00 55.43 H new ATOM 0 HG13 VAL A 18 19.152 20.126 -15.643 1.00 55.43 H new ATOM 0 HG21 VAL A 18 19.615 22.460 -17.604 1.00 12.33 H new ATOM 0 HG22 VAL A 18 18.035 21.675 -17.371 1.00 12.33 H new ATOM 0 HG23 VAL A 18 18.194 23.435 -17.160 1.00 12.33 H new ATOM 252 N LEU A 19 17.241 21.223 -12.596 1.00 51.11 N ATOM 253 CA LEU A 19 17.369 20.983 -11.173 1.00 23.23 C ATOM 254 C LEU A 19 17.982 19.607 -10.933 1.00 33.24 C ATOM 255 O LEU A 19 17.521 18.607 -11.484 1.00 54.22 O ATOM 256 CB LEU A 19 15.991 21.076 -10.513 1.00 53.14 C ATOM 257 CG LEU A 19 15.999 21.408 -9.024 1.00 54.41 C ATOM 258 CD1 LEU A 19 16.569 22.798 -8.800 1.00 73.41 C ATOM 259 CD2 LEU A 19 14.598 21.304 -8.451 1.00 25.42 C ATOM 0 H LEU A 19 16.488 20.701 -13.043 1.00 51.11 H new ATOM 0 HA LEU A 19 18.023 21.736 -10.734 1.00 23.23 H new ATOM 0 HB2 LEU A 19 15.408 21.835 -11.034 1.00 53.14 H new ATOM 0 HB3 LEU A 19 15.475 20.126 -10.653 1.00 53.14 H new ATOM 0 HG LEU A 19 16.633 20.687 -8.507 1.00 54.41 H new ATOM 0 HD11 LEU A 19 16.570 23.024 -7.734 1.00 73.41 H new ATOM 0 HD12 LEU A 19 17.590 22.838 -9.180 1.00 73.41 H new ATOM 0 HD13 LEU A 19 15.957 23.531 -9.326 1.00 73.41 H new ATOM 0 HD21 LEU A 19 14.621 21.544 -7.388 1.00 25.42 H new ATOM 0 HD22 LEU A 19 13.941 22.004 -8.967 1.00 25.42 H new ATOM 0 HD23 LEU A 19 14.224 20.289 -8.586 1.00 25.42 H new ATOM 271 N VAL A 20 19.033 19.560 -10.129 1.00 54.31 N ATOM 272 CA VAL A 20 19.720 18.309 -9.844 1.00 1.04 C ATOM 273 C VAL A 20 19.842 18.073 -8.341 1.00 52.45 C ATOM 274 O VAL A 20 20.190 18.979 -7.583 1.00 22.12 O ATOM 275 CB VAL A 20 21.126 18.282 -10.490 1.00 31.22 C ATOM 276 CG1 VAL A 20 21.864 16.997 -10.146 1.00 65.21 C ATOM 277 CG2 VAL A 20 21.022 18.434 -11.998 1.00 44.44 C ATOM 0 H VAL A 20 19.430 20.375 -9.661 1.00 54.31 H new ATOM 0 HA VAL A 20 19.119 17.509 -10.276 1.00 1.04 H new ATOM 0 HB VAL A 20 21.693 19.121 -10.087 1.00 31.22 H new ATOM 0 HG11 VAL A 20 22.849 17.007 -10.614 1.00 65.21 H new ATOM 0 HG12 VAL A 20 21.977 16.920 -9.065 1.00 65.21 H new ATOM 0 HG13 VAL A 20 21.296 16.142 -10.513 1.00 65.21 H new ATOM 0 HG21 VAL A 20 22.020 18.413 -12.436 1.00 44.44 H new ATOM 0 HG22 VAL A 20 20.429 17.615 -12.406 1.00 44.44 H new ATOM 0 HG23 VAL A 20 20.542 19.383 -12.236 1.00 44.44 H new ATOM 287 N ASN A 21 19.528 16.858 -7.919 1.00 13.51 N ATOM 288 CA ASN A 21 19.700 16.444 -6.535 1.00 61.42 C ATOM 289 C ASN A 21 20.928 15.541 -6.448 1.00 15.32 C ATOM 290 O ASN A 21 21.246 14.855 -7.418 1.00 60.15 O ATOM 291 CB ASN A 21 18.442 15.713 -6.046 1.00 40.23 C ATOM 292 CG ASN A 21 18.539 15.238 -4.607 1.00 14.14 C ATOM 293 OD1 ASN A 21 19.240 15.825 -3.787 1.00 1.33 O ATOM 294 ND2 ASN A 21 17.824 14.168 -4.292 1.00 30.15 N ATOM 0 H ASN A 21 19.147 16.132 -8.526 1.00 13.51 H new ATOM 0 HA ASN A 21 19.848 17.314 -5.895 1.00 61.42 H new ATOM 0 HB2 ASN A 21 17.584 16.378 -6.144 1.00 40.23 H new ATOM 0 HB3 ASN A 21 18.256 14.855 -6.692 1.00 40.23 H new ATOM 0 HD21 ASN A 21 17.844 13.804 -3.339 1.00 30.15 H new ATOM 0 HD22 ASN A 21 17.254 13.708 -5.002 1.00 30.15 H new ATOM 301 N ASP A 22 21.613 15.536 -5.307 1.00 31.34 N ATOM 302 CA ASP A 22 22.857 14.775 -5.166 1.00 71.21 C ATOM 303 C ASP A 22 22.592 13.273 -5.204 1.00 5.13 C ATOM 304 O ASP A 22 23.513 12.474 -5.363 1.00 75.41 O ATOM 305 CB ASP A 22 23.591 15.144 -3.870 1.00 63.32 C ATOM 306 CG ASP A 22 23.029 14.456 -2.639 1.00 13.22 C ATOM 307 OD1 ASP A 22 21.979 14.898 -2.131 1.00 22.11 O ATOM 308 OD2 ASP A 22 23.648 13.479 -2.163 1.00 4.44 O ATOM 0 H ASP A 22 21.332 16.046 -4.470 1.00 31.34 H new ATOM 0 HA ASP A 22 23.493 15.037 -6.011 1.00 71.21 H new ATOM 0 HB2 ASP A 22 24.645 14.885 -3.972 1.00 63.32 H new ATOM 0 HB3 ASP A 22 23.541 16.224 -3.728 1.00 63.32 H new ATOM 313 N GLU A 23 21.331 12.900 -5.052 1.00 75.54 N ATOM 314 CA GLU A 23 20.929 11.506 -5.139 1.00 32.45 C ATOM 315 C GLU A 23 20.146 11.263 -6.427 1.00 53.52 C ATOM 316 O GLU A 23 19.457 10.253 -6.572 1.00 4.33 O ATOM 317 CB GLU A 23 20.091 11.126 -3.915 1.00 55.34 C ATOM 318 CG GLU A 23 20.831 11.342 -2.605 1.00 3.05 C ATOM 319 CD GLU A 23 20.011 10.962 -1.395 1.00 72.14 C ATOM 320 OE1 GLU A 23 19.212 11.801 -0.923 1.00 41.22 O ATOM 321 OE2 GLU A 23 20.168 9.828 -0.898 1.00 42.25 O ATOM 0 H GLU A 23 20.565 13.548 -4.867 1.00 75.54 H new ATOM 0 HA GLU A 23 21.820 10.878 -5.157 1.00 32.45 H new ATOM 0 HB2 GLU A 23 19.174 11.716 -3.911 1.00 55.34 H new ATOM 0 HB3 GLU A 23 19.797 10.079 -3.993 1.00 55.34 H new ATOM 0 HG2 GLU A 23 21.750 10.757 -2.613 1.00 3.05 H new ATOM 0 HG3 GLU A 23 21.121 12.390 -2.526 1.00 3.05 H new ATOM 328 N ASP A 24 20.272 12.191 -7.368 1.00 13.53 N ATOM 329 CA ASP A 24 19.597 12.089 -8.658 1.00 20.35 C ATOM 330 C ASP A 24 20.622 12.309 -9.770 1.00 53.33 C ATOM 331 O ASP A 24 21.824 12.286 -9.514 1.00 63.23 O ATOM 332 CB ASP A 24 18.462 13.122 -8.752 1.00 43.45 C ATOM 333 CG ASP A 24 17.367 12.731 -9.735 1.00 72.21 C ATOM 334 OD1 ASP A 24 17.575 12.856 -10.961 1.00 61.12 O ATOM 335 OD2 ASP A 24 16.280 12.316 -9.286 1.00 52.14 O ATOM 0 H ASP A 24 20.841 13.031 -7.261 1.00 13.53 H new ATOM 0 HA ASP A 24 19.155 11.098 -8.764 1.00 20.35 H new ATOM 0 HB2 ASP A 24 18.022 13.257 -7.764 1.00 43.45 H new ATOM 0 HB3 ASP A 24 18.880 14.084 -9.049 1.00 43.45 H new ATOM 340 N GLN A 25 20.164 12.527 -10.996 1.00 74.12 N ATOM 341 CA GLN A 25 21.075 12.743 -12.111 1.00 5.14 C ATOM 342 C GLN A 25 20.746 14.052 -12.821 1.00 61.33 C ATOM 343 O GLN A 25 21.611 14.907 -12.994 1.00 2.43 O ATOM 344 CB GLN A 25 20.988 11.576 -13.098 1.00 50.45 C ATOM 345 CG GLN A 25 21.184 10.219 -12.446 1.00 62.10 C ATOM 346 CD GLN A 25 21.053 9.068 -13.422 1.00 4.10 C ATOM 347 OE1 GLN A 25 22.164 8.676 -14.022 1.00 73.34 O flip ATOM 348 NE2 GLN A 25 19.965 8.536 -13.635 1.00 42.45 N flip ATOM 0 H GLN A 25 19.175 12.559 -11.242 1.00 74.12 H new ATOM 0 HA GLN A 25 22.091 12.802 -11.721 1.00 5.14 H new ATOM 0 HB2 GLN A 25 20.015 11.597 -13.590 1.00 50.45 H new ATOM 0 HB3 GLN A 25 21.741 11.710 -13.875 1.00 50.45 H new ATOM 0 HG2 GLN A 25 22.170 10.184 -11.982 1.00 62.10 H new ATOM 0 HG3 GLN A 25 20.452 10.096 -11.648 1.00 62.10 H new ATOM 0 HE21 GLN A 25 19.131 8.869 -13.151 1.00 42.45 H new ATOM 0 HE22 GLN A 25 19.896 7.762 -14.296 1.00 42.45 H new ATOM 357 N HIS A 26 19.490 14.209 -13.221 1.00 20.14 N ATOM 358 CA HIS A 26 19.013 15.464 -13.792 1.00 44.33 C ATOM 359 C HIS A 26 17.495 15.482 -13.842 1.00 25.54 C ATOM 360 O HIS A 26 16.861 14.449 -14.047 1.00 2.13 O ATOM 361 CB HIS A 26 19.604 15.739 -15.189 1.00 1.43 C ATOM 362 CG HIS A 26 19.358 14.680 -16.230 1.00 15.33 C ATOM 363 ND1 HIS A 26 18.135 14.468 -16.824 1.00 25.13 N ATOM 364 CD2 HIS A 26 20.213 13.814 -16.824 1.00 31.34 C ATOM 365 CE1 HIS A 26 18.247 13.521 -17.735 1.00 13.51 C ATOM 366 NE2 HIS A 26 19.499 13.105 -17.762 1.00 71.22 N ATOM 0 H HIS A 26 18.780 13.479 -13.160 1.00 20.14 H new ATOM 0 HA HIS A 26 19.358 16.264 -13.138 1.00 44.33 H new ATOM 0 HB2 HIS A 26 19.197 16.681 -15.555 1.00 1.43 H new ATOM 0 HB3 HIS A 26 20.680 15.876 -15.086 1.00 1.43 H new ATOM 0 HD2 HIS A 26 21.264 13.701 -16.602 1.00 31.34 H new ATOM 0 HE1 HIS A 26 17.446 13.148 -18.356 1.00 13.51 H new ATOM 0 HE2 HIS A 26 19.874 12.381 -18.375 1.00 71.22 H new ATOM 375 N SER A 27 16.915 16.648 -13.632 1.00 70.05 N ATOM 376 CA SER A 27 15.476 16.803 -13.707 1.00 44.25 C ATOM 377 C SER A 27 15.119 18.204 -14.189 1.00 53.24 C ATOM 378 O SER A 27 15.602 19.198 -13.645 1.00 54.43 O ATOM 379 CB SER A 27 14.845 16.535 -12.339 1.00 40.02 C ATOM 380 OG SER A 27 15.205 15.249 -11.855 1.00 42.35 O ATOM 0 H SER A 27 17.421 17.505 -13.407 1.00 70.05 H new ATOM 0 HA SER A 27 15.083 16.080 -14.422 1.00 44.25 H new ATOM 0 HB2 SER A 27 15.168 17.298 -11.630 1.00 40.02 H new ATOM 0 HB3 SER A 27 13.760 16.608 -12.414 1.00 40.02 H new ATOM 0 HG SER A 27 14.791 15.102 -10.979 1.00 42.35 H new ATOM 386 N LEU A 28 14.299 18.279 -15.225 1.00 62.10 N ATOM 387 CA LEU A 28 13.808 19.558 -15.708 1.00 50.32 C ATOM 388 C LEU A 28 12.586 19.959 -14.897 1.00 31.11 C ATOM 389 O LEU A 28 11.524 19.350 -15.011 1.00 61.20 O ATOM 390 CB LEU A 28 13.488 19.498 -17.209 1.00 53.12 C ATOM 391 CG LEU A 28 14.671 19.800 -18.145 1.00 43.24 C ATOM 392 CD1 LEU A 28 15.111 21.248 -17.995 1.00 11.32 C ATOM 393 CD2 LEU A 28 15.839 18.865 -17.868 1.00 22.11 C ATOM 0 H LEU A 28 13.960 17.470 -15.746 1.00 62.10 H new ATOM 0 HA LEU A 28 14.584 20.313 -15.580 1.00 50.32 H new ATOM 0 HB2 LEU A 28 13.105 18.505 -17.443 1.00 53.12 H new ATOM 0 HB3 LEU A 28 12.687 20.206 -17.422 1.00 53.12 H new ATOM 0 HG LEU A 28 14.339 19.637 -19.170 1.00 43.24 H new ATOM 0 HD11 LEU A 28 15.949 21.445 -18.664 1.00 11.32 H new ATOM 0 HD12 LEU A 28 14.282 21.908 -18.248 1.00 11.32 H new ATOM 0 HD13 LEU A 28 15.419 21.430 -16.965 1.00 11.32 H new ATOM 0 HD21 LEU A 28 16.662 19.100 -18.543 1.00 22.11 H new ATOM 0 HD22 LEU A 28 16.169 18.991 -16.837 1.00 22.11 H new ATOM 0 HD23 LEU A 28 15.524 17.833 -18.025 1.00 22.11 H new ATOM 405 N TRP A 29 12.758 20.971 -14.063 1.00 50.34 N ATOM 406 CA TRP A 29 11.742 21.353 -13.097 1.00 20.41 C ATOM 407 C TRP A 29 11.066 22.660 -13.505 1.00 32.24 C ATOM 408 O TRP A 29 11.715 23.704 -13.589 1.00 74.10 O ATOM 409 CB TRP A 29 12.383 21.481 -11.710 1.00 43.11 C ATOM 410 CG TRP A 29 11.415 21.807 -10.614 1.00 62.11 C ATOM 411 CD1 TRP A 29 11.279 23.004 -9.975 1.00 23.24 C ATOM 412 CD2 TRP A 29 10.448 20.928 -10.027 1.00 74.32 C ATOM 413 NE1 TRP A 29 10.283 22.927 -9.032 1.00 60.32 N ATOM 414 CE2 TRP A 29 9.759 21.660 -9.043 1.00 25.15 C ATOM 415 CE3 TRP A 29 10.096 19.596 -10.242 1.00 12.00 C ATOM 416 CZ2 TRP A 29 8.742 21.100 -8.273 1.00 50.34 C ATOM 417 CZ3 TRP A 29 9.087 19.041 -9.480 1.00 73.52 C ATOM 418 CH2 TRP A 29 8.418 19.791 -8.506 1.00 70.13 C ATOM 0 H TRP A 29 13.599 21.547 -14.036 1.00 50.34 H new ATOM 0 HA TRP A 29 10.973 20.581 -13.066 1.00 20.41 H new ATOM 0 HB2 TRP A 29 12.888 20.546 -11.468 1.00 43.11 H new ATOM 0 HB3 TRP A 29 13.148 22.256 -11.746 1.00 43.11 H new ATOM 0 HD1 TRP A 29 11.869 23.885 -10.181 1.00 23.24 H new ATOM 0 HE1 TRP A 29 9.982 23.688 -8.423 1.00 60.32 H new ATOM 0 HE3 TRP A 29 10.604 19.008 -10.992 1.00 12.00 H new ATOM 0 HZ2 TRP A 29 8.228 21.678 -7.519 1.00 50.34 H new ATOM 0 HZ3 TRP A 29 8.809 18.009 -9.639 1.00 73.52 H new ATOM 0 HH2 TRP A 29 7.632 19.328 -7.928 1.00 70.13 H new ATOM 429 N PRO A 30 9.755 22.606 -13.790 1.00 72.53 N ATOM 430 CA PRO A 30 8.965 23.788 -14.143 1.00 63.44 C ATOM 431 C PRO A 30 8.780 24.722 -12.953 1.00 0.24 C ATOM 432 O PRO A 30 8.523 24.276 -11.835 1.00 73.54 O ATOM 433 CB PRO A 30 7.610 23.211 -14.584 1.00 4.34 C ATOM 434 CG PRO A 30 7.834 21.743 -14.750 1.00 3.34 C ATOM 435 CD PRO A 30 8.937 21.386 -13.800 1.00 51.14 C ATOM 0 HA PRO A 30 9.451 24.385 -14.914 1.00 63.44 H new ATOM 0 HB2 PRO A 30 6.839 23.408 -13.839 1.00 4.34 H new ATOM 0 HB3 PRO A 30 7.276 23.665 -15.517 1.00 4.34 H new ATOM 0 HG2 PRO A 30 6.927 21.182 -14.525 1.00 3.34 H new ATOM 0 HG3 PRO A 30 8.110 21.504 -15.777 1.00 3.34 H new ATOM 0 HD2 PRO A 30 8.556 21.145 -12.808 1.00 51.14 H new ATOM 0 HD3 PRO A 30 9.504 20.520 -14.143 1.00 51.14 H new ATOM 443 N VAL A 31 8.878 26.022 -13.207 1.00 5.34 N ATOM 444 CA VAL A 31 8.821 27.021 -12.144 1.00 31.12 C ATOM 445 C VAL A 31 7.393 27.236 -11.646 1.00 22.24 C ATOM 446 O VAL A 31 7.157 28.038 -10.744 1.00 72.24 O ATOM 447 CB VAL A 31 9.407 28.374 -12.604 1.00 4.33 C ATOM 448 CG1 VAL A 31 10.847 28.205 -13.053 1.00 70.22 C ATOM 449 CG2 VAL A 31 8.568 28.980 -13.717 1.00 74.32 C ATOM 0 H VAL A 31 8.998 26.411 -14.142 1.00 5.34 H new ATOM 0 HA VAL A 31 9.425 26.632 -11.325 1.00 31.12 H new ATOM 0 HB VAL A 31 9.387 29.058 -11.755 1.00 4.33 H new ATOM 0 HG11 VAL A 31 11.244 29.168 -13.374 1.00 70.22 H new ATOM 0 HG12 VAL A 31 11.444 27.824 -12.224 1.00 70.22 H new ATOM 0 HG13 VAL A 31 10.889 27.501 -13.884 1.00 70.22 H new ATOM 0 HG21 VAL A 31 9.002 29.932 -14.023 1.00 74.32 H new ATOM 0 HG22 VAL A 31 8.548 28.300 -14.569 1.00 74.32 H new ATOM 0 HG23 VAL A 31 7.552 29.143 -13.359 1.00 74.32 H new ATOM 459 N PHE A 32 6.444 26.526 -12.250 1.00 43.21 N ATOM 460 CA PHE A 32 5.051 26.591 -11.823 1.00 54.23 C ATOM 461 C PHE A 32 4.889 25.955 -10.444 1.00 21.23 C ATOM 462 O PHE A 32 4.059 26.381 -9.637 1.00 40.43 O ATOM 463 CB PHE A 32 4.143 25.891 -12.841 1.00 43.03 C ATOM 464 CG PHE A 32 2.687 25.925 -12.475 1.00 53.00 C ATOM 465 CD1 PHE A 32 1.954 27.095 -12.603 1.00 4.02 C ATOM 466 CD2 PHE A 32 2.051 24.788 -12.005 1.00 61.21 C ATOM 467 CE1 PHE A 32 0.614 27.126 -12.269 1.00 34.13 C ATOM 468 CE2 PHE A 32 0.713 24.815 -11.668 1.00 63.22 C ATOM 469 CZ PHE A 32 -0.006 25.985 -11.800 1.00 44.13 C ATOM 0 H PHE A 32 6.615 25.899 -13.036 1.00 43.21 H new ATOM 0 HA PHE A 32 4.758 27.639 -11.762 1.00 54.23 H new ATOM 0 HB2 PHE A 32 4.275 26.361 -13.816 1.00 43.03 H new ATOM 0 HB3 PHE A 32 4.459 24.853 -12.943 1.00 43.03 H new ATOM 0 HD1 PHE A 32 2.435 27.991 -12.967 1.00 4.02 H new ATOM 0 HD2 PHE A 32 2.609 23.869 -11.901 1.00 61.21 H new ATOM 0 HE1 PHE A 32 0.052 28.042 -12.375 1.00 34.13 H new ATOM 0 HE2 PHE A 32 0.229 23.922 -11.301 1.00 63.22 H new ATOM 0 HZ PHE A 32 -1.053 26.008 -11.537 1.00 44.13 H new ATOM 479 N ALA A 33 5.694 24.936 -10.181 1.00 62.53 N ATOM 480 CA ALA A 33 5.704 24.278 -8.887 1.00 73.21 C ATOM 481 C ALA A 33 6.905 24.753 -8.089 1.00 14.11 C ATOM 482 O ALA A 33 7.991 24.936 -8.642 1.00 13.22 O ATOM 483 CB ALA A 33 5.728 22.765 -9.055 1.00 74.20 C ATOM 0 H ALA A 33 6.353 24.546 -10.854 1.00 62.53 H new ATOM 0 HA ALA A 33 4.794 24.537 -8.346 1.00 73.21 H new ATOM 0 HB1 ALA A 33 5.735 22.290 -8.074 1.00 74.20 H new ATOM 0 HB2 ALA A 33 4.843 22.446 -9.606 1.00 74.20 H new ATOM 0 HB3 ALA A 33 6.623 22.474 -9.605 1.00 74.20 H new ATOM 489 N ASP A 34 6.711 24.971 -6.798 1.00 73.54 N ATOM 490 CA ASP A 34 7.778 25.497 -5.964 1.00 12.01 C ATOM 491 C ASP A 34 8.831 24.425 -5.727 1.00 25.54 C ATOM 492 O ASP A 34 8.509 23.245 -5.592 1.00 43.40 O ATOM 493 CB ASP A 34 7.241 26.020 -4.630 1.00 72.34 C ATOM 494 CG ASP A 34 8.306 26.754 -3.837 1.00 35.13 C ATOM 495 OD1 ASP A 34 9.040 27.565 -4.439 1.00 44.20 O ATOM 496 OD2 ASP A 34 8.404 26.541 -2.612 1.00 51.51 O ATOM 0 H ASP A 34 5.833 24.794 -6.309 1.00 73.54 H new ATOM 0 HA ASP A 34 8.233 26.337 -6.489 1.00 12.01 H new ATOM 0 HB2 ASP A 34 6.401 26.689 -4.815 1.00 72.34 H new ATOM 0 HB3 ASP A 34 6.860 25.186 -4.040 1.00 72.34 H new ATOM 501 N ILE A 35 10.083 24.844 -5.689 1.00 23.41 N ATOM 502 CA ILE A 35 11.200 23.923 -5.582 1.00 54.34 C ATOM 503 C ILE A 35 11.237 23.246 -4.209 1.00 65.45 C ATOM 504 O ILE A 35 11.058 23.898 -3.181 1.00 14.24 O ATOM 505 CB ILE A 35 12.538 24.660 -5.840 1.00 10.14 C ATOM 506 CG1 ILE A 35 12.508 25.350 -7.209 1.00 72.42 C ATOM 507 CG2 ILE A 35 13.713 23.698 -5.756 1.00 64.03 C ATOM 508 CD1 ILE A 35 13.775 26.112 -7.543 1.00 60.24 C ATOM 0 H ILE A 35 10.353 25.827 -5.731 1.00 23.41 H new ATOM 0 HA ILE A 35 11.063 23.152 -6.340 1.00 54.34 H new ATOM 0 HB ILE A 35 12.665 25.418 -5.067 1.00 10.14 H new ATOM 0 HG12 ILE A 35 12.334 24.599 -7.979 1.00 72.42 H new ATOM 0 HG13 ILE A 35 11.664 26.039 -7.239 1.00 72.42 H new ATOM 0 HG21 ILE A 35 14.641 24.240 -5.941 1.00 64.03 H new ATOM 0 HG22 ILE A 35 13.746 23.250 -4.763 1.00 64.03 H new ATOM 0 HG23 ILE A 35 13.596 22.914 -6.504 1.00 64.03 H new ATOM 0 HD11 ILE A 35 13.675 26.571 -8.527 1.00 60.24 H new ATOM 0 HD12 ILE A 35 13.941 26.888 -6.796 1.00 60.24 H new ATOM 0 HD13 ILE A 35 14.622 25.426 -7.547 1.00 60.24 H new ATOM 520 N PRO A 36 11.428 21.916 -4.186 1.00 20.01 N ATOM 521 CA PRO A 36 11.612 21.155 -2.943 1.00 12.02 C ATOM 522 C PRO A 36 12.940 21.472 -2.262 1.00 43.41 C ATOM 523 O PRO A 36 13.576 22.474 -2.564 1.00 52.44 O ATOM 524 CB PRO A 36 11.622 19.699 -3.410 1.00 34.45 C ATOM 525 CG PRO A 36 12.000 19.753 -4.849 1.00 42.11 C ATOM 526 CD PRO A 36 11.454 21.048 -5.373 1.00 44.21 C ATOM 0 HA PRO A 36 10.836 21.389 -2.215 1.00 12.02 H new ATOM 0 HB2 PRO A 36 12.336 19.107 -2.837 1.00 34.45 H new ATOM 0 HB3 PRO A 36 10.644 19.236 -3.277 1.00 34.45 H new ATOM 0 HG2 PRO A 36 13.082 19.709 -4.970 1.00 42.11 H new ATOM 0 HG3 PRO A 36 11.584 18.906 -5.394 1.00 42.11 H new ATOM 0 HD2 PRO A 36 12.086 21.461 -6.159 1.00 44.21 H new ATOM 0 HD3 PRO A 36 10.459 20.921 -5.799 1.00 44.21 H new ATOM 534 N ALA A 37 13.349 20.611 -1.343 1.00 32.34 N ATOM 535 CA ALA A 37 14.654 20.734 -0.703 1.00 62.32 C ATOM 536 C ALA A 37 15.656 19.801 -1.378 1.00 3.44 C ATOM 537 O ALA A 37 15.268 18.952 -2.186 1.00 34.45 O ATOM 538 CB ALA A 37 14.549 20.425 0.783 1.00 21.30 C ATOM 0 H ALA A 37 12.796 19.817 -1.021 1.00 32.34 H new ATOM 0 HA ALA A 37 15.005 21.760 -0.812 1.00 62.32 H new ATOM 0 HB1 ALA A 37 15.532 20.521 1.245 1.00 21.30 H new ATOM 0 HB2 ALA A 37 13.857 21.125 1.252 1.00 21.30 H new ATOM 0 HB3 ALA A 37 14.183 19.407 0.918 1.00 21.30 H new ATOM 544 N GLY A 38 16.932 19.943 -1.041 1.00 61.52 N ATOM 545 CA GLY A 38 17.961 19.116 -1.654 1.00 71.31 C ATOM 546 C GLY A 38 18.190 19.468 -3.110 1.00 52.02 C ATOM 547 O GLY A 38 18.570 18.623 -3.917 1.00 65.45 O ATOM 0 H GLY A 38 17.275 20.615 -0.355 1.00 61.52 H new ATOM 0 HA2 GLY A 38 18.894 19.233 -1.103 1.00 71.31 H new ATOM 0 HA3 GLY A 38 17.675 18.067 -1.577 1.00 71.31 H new ATOM 551 N TRP A 39 17.965 20.725 -3.442 1.00 1.04 N ATOM 552 CA TRP A 39 18.006 21.173 -4.823 1.00 71.10 C ATOM 553 C TRP A 39 19.336 21.832 -5.171 1.00 53.52 C ATOM 554 O TRP A 39 20.030 22.361 -4.302 1.00 43.22 O ATOM 555 CB TRP A 39 16.872 22.164 -5.069 1.00 61.05 C ATOM 556 CG TRP A 39 16.861 23.295 -4.080 1.00 75.23 C ATOM 557 CD1 TRP A 39 16.253 23.301 -2.862 1.00 40.04 C ATOM 558 CD2 TRP A 39 17.490 24.576 -4.222 1.00 15.24 C ATOM 559 NE1 TRP A 39 16.464 24.502 -2.235 1.00 74.21 N ATOM 560 CE2 TRP A 39 17.219 25.303 -3.049 1.00 52.15 C ATOM 561 CE3 TRP A 39 18.252 25.178 -5.227 1.00 41.43 C ATOM 562 CZ2 TRP A 39 17.689 26.599 -2.850 1.00 4.21 C ATOM 563 CZ3 TRP A 39 18.720 26.463 -5.029 1.00 21.35 C ATOM 564 CH2 TRP A 39 18.435 27.163 -3.850 1.00 62.42 C ATOM 0 H TRP A 39 17.750 21.460 -2.769 1.00 1.04 H new ATOM 0 HA TRP A 39 17.891 20.296 -5.460 1.00 71.10 H new ATOM 0 HB2 TRP A 39 16.963 22.570 -6.077 1.00 61.05 H new ATOM 0 HB3 TRP A 39 15.919 21.637 -5.022 1.00 61.05 H new ATOM 0 HD1 TRP A 39 15.687 22.479 -2.449 1.00 40.04 H new ATOM 0 HE1 TRP A 39 16.115 24.757 -1.311 1.00 74.21 H new ATOM 0 HE3 TRP A 39 18.471 24.648 -6.142 1.00 41.43 H new ATOM 0 HZ2 TRP A 39 17.473 27.139 -1.940 1.00 4.21 H new ATOM 0 HZ3 TRP A 39 19.315 26.935 -5.796 1.00 21.35 H new ATOM 0 HH2 TRP A 39 18.811 28.168 -3.727 1.00 62.42 H new ATOM 575 N ARG A 40 19.678 21.789 -6.450 1.00 15.10 N ATOM 576 CA ARG A 40 20.807 22.537 -6.975 1.00 61.03 C ATOM 577 C ARG A 40 20.521 22.911 -8.425 1.00 54.24 C ATOM 578 O ARG A 40 20.191 22.047 -9.239 1.00 13.25 O ATOM 579 CB ARG A 40 22.101 21.722 -6.878 1.00 5.24 C ATOM 580 CG ARG A 40 23.314 22.567 -6.525 1.00 52.34 C ATOM 581 CD ARG A 40 23.140 23.201 -5.155 1.00 31.33 C ATOM 582 NE ARG A 40 24.154 24.211 -4.866 1.00 23.32 N ATOM 583 CZ ARG A 40 23.890 25.361 -4.243 1.00 30.25 C ATOM 584 NH1 ARG A 40 22.658 25.621 -3.817 1.00 71.53 N ATOM 585 NH2 ARG A 40 24.861 26.239 -4.022 1.00 14.54 N ATOM 0 H ARG A 40 19.182 21.237 -7.149 1.00 15.10 H new ATOM 0 HA ARG A 40 20.943 23.441 -6.381 1.00 61.03 H new ATOM 0 HB2 ARG A 40 21.977 20.943 -6.126 1.00 5.24 H new ATOM 0 HB3 ARG A 40 22.280 21.221 -7.829 1.00 5.24 H new ATOM 0 HG2 ARG A 40 24.211 21.948 -6.535 1.00 52.34 H new ATOM 0 HG3 ARG A 40 23.455 23.344 -7.277 1.00 52.34 H new ATOM 0 HD2 ARG A 40 22.152 23.657 -5.094 1.00 31.33 H new ATOM 0 HD3 ARG A 40 23.180 22.424 -4.392 1.00 31.33 H new ATOM 0 HE ARG A 40 25.115 24.028 -5.156 1.00 23.32 H new ATOM 0 HH11 ARG A 40 21.913 24.941 -3.966 1.00 71.53 H new ATOM 0 HH12 ARG A 40 22.458 26.501 -3.341 1.00 71.53 H new ATOM 0 HH21 ARG A 40 25.812 26.035 -4.329 1.00 14.54 H new ATOM 0 HH22 ARG A 40 24.656 27.117 -3.545 1.00 14.54 H new ATOM 599 N VAL A 41 20.623 24.195 -8.738 1.00 40.24 N ATOM 600 CA VAL A 41 20.306 24.683 -10.073 1.00 71.24 C ATOM 601 C VAL A 41 21.551 24.700 -10.951 1.00 31.12 C ATOM 602 O VAL A 41 22.505 25.426 -10.674 1.00 65.41 O ATOM 603 CB VAL A 41 19.700 26.104 -10.025 1.00 61.45 C ATOM 604 CG1 VAL A 41 19.346 26.586 -11.425 1.00 25.00 C ATOM 605 CG2 VAL A 41 18.476 26.138 -9.120 1.00 14.32 C ATOM 0 H VAL A 41 20.923 24.919 -8.085 1.00 40.24 H new ATOM 0 HA VAL A 41 19.570 24.001 -10.498 1.00 71.24 H new ATOM 0 HB VAL A 41 20.449 26.779 -9.611 1.00 61.45 H new ATOM 0 HG11 VAL A 41 18.921 27.588 -11.368 1.00 25.00 H new ATOM 0 HG12 VAL A 41 20.245 26.608 -12.041 1.00 25.00 H new ATOM 0 HG13 VAL A 41 18.618 25.908 -11.870 1.00 25.00 H new ATOM 0 HG21 VAL A 41 18.066 27.148 -9.101 1.00 14.32 H new ATOM 0 HG22 VAL A 41 17.723 25.447 -9.500 1.00 14.32 H new ATOM 0 HG23 VAL A 41 18.762 25.843 -8.110 1.00 14.32 H new ATOM 615 N VAL A 42 21.538 23.895 -12.003 1.00 40.32 N ATOM 616 CA VAL A 42 22.666 23.833 -12.924 1.00 63.24 C ATOM 617 C VAL A 42 22.469 24.806 -14.086 1.00 50.15 C ATOM 618 O VAL A 42 23.430 25.335 -14.644 1.00 15.22 O ATOM 619 CB VAL A 42 22.867 22.401 -13.478 1.00 42.14 C ATOM 620 CG1 VAL A 42 24.118 22.321 -14.341 1.00 23.52 C ATOM 621 CG2 VAL A 42 22.937 21.396 -12.337 1.00 52.31 C ATOM 0 H VAL A 42 20.762 23.277 -12.241 1.00 40.32 H new ATOM 0 HA VAL A 42 23.557 24.116 -12.364 1.00 63.24 H new ATOM 0 HB VAL A 42 22.010 22.155 -14.105 1.00 42.14 H new ATOM 0 HG11 VAL A 42 24.236 21.305 -14.717 1.00 23.52 H new ATOM 0 HG12 VAL A 42 24.026 23.011 -15.180 1.00 23.52 H new ATOM 0 HG13 VAL A 42 24.990 22.590 -13.744 1.00 23.52 H new ATOM 0 HG21 VAL A 42 23.078 20.394 -12.743 1.00 52.31 H new ATOM 0 HG22 VAL A 42 23.774 21.645 -11.684 1.00 52.31 H new ATOM 0 HG23 VAL A 42 22.009 21.429 -11.766 1.00 52.31 H new ATOM 631 N HIS A 43 21.217 25.056 -14.436 1.00 32.14 N ATOM 632 CA HIS A 43 20.900 25.920 -15.562 1.00 42.41 C ATOM 633 C HIS A 43 19.501 26.496 -15.380 1.00 1.25 C ATOM 634 O HIS A 43 18.622 25.819 -14.844 1.00 24.14 O ATOM 635 CB HIS A 43 20.986 25.114 -16.864 1.00 4.00 C ATOM 636 CG HIS A 43 21.253 25.932 -18.089 1.00 10.14 C ATOM 637 ND1 HIS A 43 22.525 26.166 -18.561 1.00 72.12 N ATOM 638 CD2 HIS A 43 20.413 26.538 -18.960 1.00 61.44 C ATOM 639 CE1 HIS A 43 22.458 26.878 -19.667 1.00 25.41 C ATOM 640 NE2 HIS A 43 21.189 27.118 -19.933 1.00 3.32 N ATOM 0 H HIS A 43 20.403 24.672 -13.956 1.00 32.14 H new ATOM 0 HA HIS A 43 21.614 26.742 -15.612 1.00 42.41 H new ATOM 0 HB2 HIS A 43 21.775 24.368 -16.762 1.00 4.00 H new ATOM 0 HB3 HIS A 43 20.051 24.572 -17.002 1.00 4.00 H new ATOM 0 HD2 HIS A 43 19.335 26.561 -18.901 1.00 61.44 H new ATOM 0 HE1 HIS A 43 23.300 27.209 -20.256 1.00 25.41 H new ATOM 0 HE2 HIS A 43 20.841 27.648 -20.732 1.00 3.32 H new ATOM 649 N GLY A 44 19.299 27.735 -15.808 1.00 64.42 N ATOM 650 CA GLY A 44 18.000 28.364 -15.662 1.00 40.31 C ATOM 651 C GLY A 44 17.059 28.014 -16.792 1.00 11.43 C ATOM 652 O GLY A 44 17.151 26.927 -17.366 1.00 14.32 O ATOM 0 H GLY A 44 20.010 28.315 -16.253 1.00 64.42 H new ATOM 0 HA2 GLY A 44 17.556 28.058 -14.715 1.00 40.31 H new ATOM 0 HA3 GLY A 44 18.126 29.446 -15.620 1.00 40.31 H new ATOM 656 N GLU A 45 16.167 28.939 -17.130 1.00 41.53 N ATOM 657 CA GLU A 45 15.169 28.676 -18.156 1.00 24.13 C ATOM 658 C GLU A 45 15.725 28.926 -19.540 1.00 75.21 C ATOM 659 O GLU A 45 15.807 30.055 -20.024 1.00 73.32 O ATOM 660 CB GLU A 45 13.890 29.486 -17.937 1.00 41.13 C ATOM 661 CG GLU A 45 14.036 30.584 -16.911 1.00 22.15 C ATOM 662 CD GLU A 45 14.832 31.772 -17.405 1.00 40.03 C ATOM 663 OE1 GLU A 45 14.275 32.600 -18.155 1.00 54.25 O ATOM 664 OE2 GLU A 45 16.019 31.887 -17.029 1.00 61.15 O ATOM 0 H GLU A 45 16.116 29.868 -16.712 1.00 41.53 H new ATOM 0 HA GLU A 45 14.907 27.621 -18.075 1.00 24.13 H new ATOM 0 HB2 GLU A 45 13.582 29.926 -18.886 1.00 41.13 H new ATOM 0 HB3 GLU A 45 13.093 28.812 -17.624 1.00 41.13 H new ATOM 0 HG2 GLU A 45 13.045 30.922 -16.609 1.00 22.15 H new ATOM 0 HG3 GLU A 45 14.519 30.178 -16.022 1.00 22.15 H new ATOM 671 N ALA A 46 16.125 27.839 -20.145 1.00 42.34 N ATOM 672 CA ALA A 46 16.550 27.819 -21.531 1.00 4.43 C ATOM 673 C ALA A 46 15.814 26.700 -22.240 1.00 3.13 C ATOM 674 O ALA A 46 15.313 25.796 -21.577 1.00 72.05 O ATOM 675 CB ALA A 46 18.054 27.625 -21.637 1.00 74.23 C ATOM 0 H ALA A 46 16.168 26.928 -19.688 1.00 42.34 H new ATOM 0 HA ALA A 46 16.314 28.774 -22.000 1.00 4.43 H new ATOM 0 HB1 ALA A 46 18.346 27.614 -22.687 1.00 74.23 H new ATOM 0 HB2 ALA A 46 18.563 28.443 -21.127 1.00 74.23 H new ATOM 0 HB3 ALA A 46 18.332 26.679 -21.173 1.00 74.23 H new ATOM 681 N SER A 47 15.751 26.767 -23.569 1.00 52.43 N ATOM 682 CA SER A 47 15.002 25.801 -24.374 1.00 21.43 C ATOM 683 C SER A 47 15.142 24.373 -23.836 1.00 15.04 C ATOM 684 O SER A 47 16.253 23.892 -23.605 1.00 74.34 O ATOM 685 CB SER A 47 15.484 25.872 -25.819 1.00 75.44 C ATOM 686 OG SER A 47 15.429 27.206 -26.298 1.00 33.40 O ATOM 0 H SER A 47 16.216 27.490 -24.118 1.00 52.43 H new ATOM 0 HA SER A 47 13.945 26.060 -24.321 1.00 21.43 H new ATOM 0 HB2 SER A 47 16.505 25.497 -25.886 1.00 75.44 H new ATOM 0 HB3 SER A 47 14.867 25.229 -26.446 1.00 75.44 H new ATOM 0 HG SER A 47 15.743 27.234 -27.226 1.00 33.40 H new ATOM 692 N ARG A 48 13.998 23.715 -23.636 1.00 24.40 N ATOM 693 CA ARG A 48 13.942 22.386 -23.023 1.00 63.42 C ATOM 694 C ARG A 48 14.894 21.418 -23.726 1.00 12.32 C ATOM 695 O ARG A 48 15.670 20.718 -23.077 1.00 12.12 O ATOM 696 CB ARG A 48 12.495 21.869 -23.070 1.00 31.24 C ATOM 697 CG ARG A 48 12.251 20.533 -22.374 1.00 63.13 C ATOM 698 CD ARG A 48 12.602 19.351 -23.268 1.00 15.30 C ATOM 699 NE ARG A 48 11.864 19.371 -24.532 1.00 30.40 N ATOM 700 CZ ARG A 48 12.052 18.496 -25.516 1.00 64.14 C ATOM 701 NH1 ARG A 48 12.980 17.554 -25.402 1.00 2.12 N ATOM 702 NH2 ARG A 48 11.312 18.567 -26.616 1.00 42.11 N ATOM 0 H ARG A 48 13.085 24.088 -23.894 1.00 24.40 H new ATOM 0 HA ARG A 48 14.263 22.457 -21.984 1.00 63.42 H new ATOM 0 HB2 ARG A 48 11.845 22.618 -22.618 1.00 31.24 H new ATOM 0 HB3 ARG A 48 12.195 21.775 -24.114 1.00 31.24 H new ATOM 0 HG2 ARG A 48 12.845 20.486 -21.461 1.00 63.13 H new ATOM 0 HG3 ARG A 48 11.204 20.465 -22.077 1.00 63.13 H new ATOM 0 HD2 ARG A 48 13.672 19.360 -23.475 1.00 15.30 H new ATOM 0 HD3 ARG A 48 12.387 18.422 -22.739 1.00 15.30 H new ATOM 0 HE ARG A 48 11.163 20.100 -24.666 1.00 30.40 H new ATOM 0 HH11 ARG A 48 13.551 17.500 -24.558 1.00 2.12 H new ATOM 0 HH12 ARG A 48 13.122 16.884 -26.158 1.00 2.12 H new ATOM 0 HH21 ARG A 48 10.600 19.292 -26.706 1.00 42.11 H new ATOM 0 HH22 ARG A 48 11.455 17.897 -27.371 1.00 42.11 H new ATOM 716 N ALA A 49 14.831 21.392 -25.053 1.00 71.21 N ATOM 717 CA ALA A 49 15.690 20.525 -25.853 1.00 23.33 C ATOM 718 C ALA A 49 17.166 20.806 -25.592 1.00 12.42 C ATOM 719 O ALA A 49 17.974 19.885 -25.533 1.00 4.23 O ATOM 720 CB ALA A 49 15.383 20.694 -27.333 1.00 24.31 C ATOM 0 H ALA A 49 14.189 21.965 -25.601 1.00 71.21 H new ATOM 0 HA ALA A 49 15.485 19.496 -25.559 1.00 23.33 H new ATOM 0 HB1 ALA A 49 16.032 20.041 -27.916 1.00 24.31 H new ATOM 0 HB2 ALA A 49 14.342 20.432 -27.521 1.00 24.31 H new ATOM 0 HB3 ALA A 49 15.555 21.730 -27.624 1.00 24.31 H new ATOM 726 N ALA A 50 17.504 22.080 -25.416 1.00 1.42 N ATOM 727 CA ALA A 50 18.889 22.482 -25.190 1.00 72.11 C ATOM 728 C ALA A 50 19.347 22.109 -23.785 1.00 72.52 C ATOM 729 O ALA A 50 20.513 21.780 -23.573 1.00 11.34 O ATOM 730 CB ALA A 50 19.053 23.977 -25.420 1.00 20.13 C ATOM 0 H ALA A 50 16.838 22.852 -25.426 1.00 1.42 H new ATOM 0 HA ALA A 50 19.515 21.946 -25.903 1.00 72.11 H new ATOM 0 HB1 ALA A 50 20.091 24.260 -25.247 1.00 20.13 H new ATOM 0 HB2 ALA A 50 18.777 24.220 -26.446 1.00 20.13 H new ATOM 0 HB3 ALA A 50 18.409 24.524 -24.732 1.00 20.13 H new ATOM 736 N CYS A 51 18.428 22.169 -22.827 1.00 34.11 N ATOM 737 CA CYS A 51 18.726 21.772 -21.457 1.00 53.12 C ATOM 738 C CYS A 51 18.938 20.263 -21.375 1.00 24.13 C ATOM 739 O CYS A 51 19.903 19.797 -20.765 1.00 22.31 O ATOM 740 CB CYS A 51 17.599 22.210 -20.519 1.00 2.53 C ATOM 741 SG CYS A 51 17.419 24.004 -20.386 1.00 11.35 S ATOM 0 H CYS A 51 17.471 22.489 -22.975 1.00 34.11 H new ATOM 0 HA CYS A 51 19.646 22.265 -21.143 1.00 53.12 H new ATOM 0 HB2 CYS A 51 16.659 21.785 -20.871 1.00 2.53 H new ATOM 0 HB3 CYS A 51 17.783 21.798 -19.527 1.00 2.53 H new ATOM 0 HG CYS A 51 16.348 24.381 -21.019 1.00 11.35 H new ATOM 747 N LEU A 52 18.038 19.506 -21.996 1.00 14.24 N ATOM 748 CA LEU A 52 18.205 18.062 -22.115 1.00 14.11 C ATOM 749 C LEU A 52 19.517 17.738 -22.817 1.00 14.41 C ATOM 750 O LEU A 52 20.284 16.898 -22.360 1.00 13.15 O ATOM 751 CB LEU A 52 17.044 17.434 -22.891 1.00 54.05 C ATOM 752 CG LEU A 52 15.863 16.948 -22.049 1.00 21.41 C ATOM 753 CD1 LEU A 52 15.222 18.096 -21.289 1.00 71.20 C ATOM 754 CD2 LEU A 52 14.847 16.259 -22.941 1.00 63.03 C ATOM 0 H LEU A 52 17.186 19.869 -22.424 1.00 14.24 H new ATOM 0 HA LEU A 52 18.218 17.645 -21.108 1.00 14.11 H new ATOM 0 HB2 LEU A 52 16.676 18.165 -23.611 1.00 54.05 H new ATOM 0 HB3 LEU A 52 17.429 16.590 -23.463 1.00 54.05 H new ATOM 0 HG LEU A 52 16.232 16.233 -21.313 1.00 21.41 H new ATOM 0 HD11 LEU A 52 14.386 17.720 -20.700 1.00 71.20 H new ATOM 0 HD12 LEU A 52 15.959 18.550 -20.626 1.00 71.20 H new ATOM 0 HD13 LEU A 52 14.861 18.843 -21.995 1.00 71.20 H new ATOM 0 HD21 LEU A 52 14.007 15.914 -22.337 1.00 63.03 H new ATOM 0 HD22 LEU A 52 14.489 16.961 -23.694 1.00 63.03 H new ATOM 0 HD23 LEU A 52 15.314 15.406 -23.433 1.00 63.03 H new ATOM 766 N ASP A 53 19.766 18.428 -23.922 1.00 61.53 N ATOM 767 CA ASP A 53 20.999 18.255 -24.683 1.00 54.43 C ATOM 768 C ASP A 53 22.217 18.479 -23.790 1.00 63.52 C ATOM 769 O ASP A 53 23.131 17.650 -23.743 1.00 62.44 O ATOM 770 CB ASP A 53 21.011 19.239 -25.856 1.00 40.30 C ATOM 771 CG ASP A 53 22.274 19.165 -26.691 1.00 11.42 C ATOM 772 OD1 ASP A 53 22.313 18.361 -27.649 1.00 1.13 O ATOM 773 OD2 ASP A 53 23.218 19.930 -26.412 1.00 63.05 O ATOM 0 H ASP A 53 19.126 19.118 -24.315 1.00 61.53 H new ATOM 0 HA ASP A 53 21.043 17.235 -25.065 1.00 54.43 H new ATOM 0 HB2 ASP A 53 20.150 19.042 -26.495 1.00 40.30 H new ATOM 0 HB3 ASP A 53 20.897 20.253 -25.472 1.00 40.30 H new ATOM 778 N TYR A 54 22.199 19.583 -23.054 1.00 62.01 N ATOM 779 CA TYR A 54 23.301 19.944 -22.179 1.00 33.33 C ATOM 780 C TYR A 54 23.566 18.863 -21.133 1.00 54.33 C ATOM 781 O TYR A 54 24.697 18.396 -20.992 1.00 52.04 O ATOM 782 CB TYR A 54 23.010 21.280 -21.480 1.00 21.41 C ATOM 783 CG TYR A 54 24.129 21.750 -20.577 1.00 53.34 C ATOM 784 CD1 TYR A 54 25.241 22.396 -21.102 1.00 31.52 C ATOM 785 CD2 TYR A 54 24.081 21.541 -19.202 1.00 62.33 C ATOM 786 CE1 TYR A 54 26.274 22.813 -20.288 1.00 53.11 C ATOM 787 CE2 TYR A 54 25.111 21.959 -18.382 1.00 32.53 C ATOM 788 CZ TYR A 54 26.204 22.594 -18.930 1.00 2.30 C ATOM 789 OH TYR A 54 27.238 22.996 -18.118 1.00 25.04 O ATOM 0 H TYR A 54 21.425 20.247 -23.048 1.00 62.01 H new ATOM 0 HA TYR A 54 24.193 20.043 -22.798 1.00 33.33 H new ATOM 0 HB2 TYR A 54 22.821 22.042 -22.236 1.00 21.41 H new ATOM 0 HB3 TYR A 54 22.098 21.181 -20.892 1.00 21.41 H new ATOM 0 HD1 TYR A 54 25.298 22.575 -22.166 1.00 31.52 H new ATOM 0 HD2 TYR A 54 23.225 21.044 -18.769 1.00 62.33 H new ATOM 0 HE1 TYR A 54 27.134 23.309 -20.714 1.00 53.11 H new ATOM 0 HE2 TYR A 54 25.060 21.789 -17.317 1.00 32.53 H new ATOM 0 HH TYR A 54 27.031 22.768 -17.188 1.00 25.04 H new ATOM 799 N VAL A 55 22.526 18.446 -20.419 1.00 13.21 N ATOM 800 CA VAL A 55 22.702 17.498 -19.324 1.00 73.54 C ATOM 801 C VAL A 55 23.069 16.108 -19.835 1.00 63.52 C ATOM 802 O VAL A 55 23.949 15.456 -19.280 1.00 1.14 O ATOM 803 CB VAL A 55 21.455 17.413 -18.411 1.00 74.32 C ATOM 804 CG1 VAL A 55 21.199 18.753 -17.747 1.00 11.35 C ATOM 805 CG2 VAL A 55 20.219 16.959 -19.179 1.00 3.21 C ATOM 0 H VAL A 55 21.563 18.745 -20.575 1.00 13.21 H new ATOM 0 HA VAL A 55 23.530 17.880 -18.726 1.00 73.54 H new ATOM 0 HB VAL A 55 21.658 16.665 -17.645 1.00 74.32 H new ATOM 0 HG11 VAL A 55 20.319 18.680 -17.108 1.00 11.35 H new ATOM 0 HG12 VAL A 55 22.064 19.032 -17.144 1.00 11.35 H new ATOM 0 HG13 VAL A 55 21.030 19.511 -18.511 1.00 11.35 H new ATOM 0 HG21 VAL A 55 19.366 16.913 -18.502 1.00 3.21 H new ATOM 0 HG22 VAL A 55 20.008 17.667 -19.980 1.00 3.21 H new ATOM 0 HG23 VAL A 55 20.398 15.972 -19.605 1.00 3.21 H new ATOM 815 N GLU A 56 22.425 15.683 -20.912 1.00 10.40 N ATOM 816 CA GLU A 56 22.617 14.338 -21.442 1.00 61.52 C ATOM 817 C GLU A 56 23.993 14.172 -22.070 1.00 34.54 C ATOM 818 O GLU A 56 24.625 13.128 -21.921 1.00 73.34 O ATOM 819 CB GLU A 56 21.530 14.025 -22.461 1.00 74.35 C ATOM 820 CG GLU A 56 20.151 13.891 -21.839 1.00 71.41 C ATOM 821 CD GLU A 56 19.894 12.513 -21.266 1.00 3.14 C ATOM 822 OE1 GLU A 56 20.314 12.243 -20.122 1.00 13.14 O ATOM 823 OE2 GLU A 56 19.254 11.693 -21.962 1.00 12.33 O ATOM 0 H GLU A 56 21.762 16.252 -21.439 1.00 10.40 H new ATOM 0 HA GLU A 56 22.549 13.636 -20.611 1.00 61.52 H new ATOM 0 HB2 GLU A 56 21.508 14.813 -23.213 1.00 74.35 H new ATOM 0 HB3 GLU A 56 21.781 13.099 -22.978 1.00 74.35 H new ATOM 0 HG2 GLU A 56 20.041 14.634 -21.049 1.00 71.41 H new ATOM 0 HG3 GLU A 56 19.395 14.112 -22.592 1.00 71.41 H new ATOM 830 N LYS A 57 24.463 15.199 -22.763 1.00 70.11 N ATOM 831 CA LYS A 57 25.777 15.143 -23.393 1.00 60.22 C ATOM 832 C LYS A 57 26.892 15.240 -22.361 1.00 10.13 C ATOM 833 O LYS A 57 28.037 14.886 -22.639 1.00 34.22 O ATOM 834 CB LYS A 57 25.930 16.259 -24.421 1.00 64.25 C ATOM 835 CG LYS A 57 25.096 16.048 -25.671 1.00 75.40 C ATOM 836 CD LYS A 57 25.121 17.267 -26.573 1.00 11.15 C ATOM 837 CE LYS A 57 26.517 17.574 -27.083 1.00 5.52 C ATOM 838 NZ LYS A 57 26.533 18.813 -27.904 1.00 33.13 N ATOM 0 H LYS A 57 23.960 16.075 -22.904 1.00 70.11 H new ATOM 0 HA LYS A 57 25.856 14.179 -23.897 1.00 60.22 H new ATOM 0 HB2 LYS A 57 25.649 17.207 -23.962 1.00 64.25 H new ATOM 0 HB3 LYS A 57 26.980 16.341 -24.703 1.00 64.25 H new ATOM 0 HG2 LYS A 57 25.471 15.183 -26.218 1.00 75.40 H new ATOM 0 HG3 LYS A 57 24.067 15.825 -25.389 1.00 75.40 H new ATOM 0 HD2 LYS A 57 24.454 17.104 -27.420 1.00 11.15 H new ATOM 0 HD3 LYS A 57 24.738 18.129 -26.027 1.00 11.15 H new ATOM 0 HE2 LYS A 57 27.198 17.686 -26.239 1.00 5.52 H new ATOM 0 HE3 LYS A 57 26.881 16.736 -27.678 1.00 5.52 H new ATOM 0 HZ1 LYS A 57 27.501 18.996 -28.238 1.00 33.13 H new ATOM 0 HZ2 LYS A 57 25.901 18.696 -28.722 1.00 33.13 H new ATOM 0 HZ3 LYS A 57 26.208 19.616 -27.328 1.00 33.13 H new ATOM 852 N ASN A 58 26.563 15.728 -21.176 1.00 5.40 N ATOM 853 CA ASN A 58 27.549 15.859 -20.117 1.00 62.23 C ATOM 854 C ASN A 58 27.544 14.644 -19.200 1.00 64.30 C ATOM 855 O ASN A 58 28.604 14.117 -18.866 1.00 2.42 O ATOM 856 CB ASN A 58 27.318 17.136 -19.312 1.00 60.13 C ATOM 857 CG ASN A 58 27.997 18.347 -19.927 1.00 21.12 C ATOM 858 OD1 ASN A 58 29.141 18.661 -19.601 1.00 45.43 O ATOM 859 ND2 ASN A 58 27.297 19.044 -20.804 1.00 73.12 N ATOM 0 H ASN A 58 25.625 16.039 -20.924 1.00 5.40 H new ATOM 0 HA ASN A 58 28.530 15.920 -20.589 1.00 62.23 H new ATOM 0 HB2 ASN A 58 26.247 17.324 -19.236 1.00 60.13 H new ATOM 0 HB3 ASN A 58 27.689 16.993 -18.297 1.00 60.13 H new ATOM 0 HD21 ASN A 58 27.703 19.874 -21.236 1.00 73.12 H new ATOM 0 HD22 ASN A 58 26.351 18.752 -21.049 1.00 73.12 H new ATOM 866 N TRP A 59 26.362 14.189 -18.796 1.00 74.44 N ATOM 867 CA TRP A 59 26.263 13.007 -17.950 1.00 50.11 C ATOM 868 C TRP A 59 24.939 12.275 -18.176 1.00 20.21 C ATOM 869 O TRP A 59 23.858 12.833 -18.002 1.00 31.04 O ATOM 870 CB TRP A 59 26.457 13.363 -16.459 1.00 2.31 C ATOM 871 CG TRP A 59 25.410 14.272 -15.874 1.00 72.22 C ATOM 872 CD1 TRP A 59 24.268 13.889 -15.231 1.00 32.41 C ATOM 873 CD2 TRP A 59 25.412 15.707 -15.856 1.00 42.01 C ATOM 874 NE1 TRP A 59 23.559 14.992 -14.832 1.00 45.01 N ATOM 875 CE2 TRP A 59 24.236 16.119 -15.203 1.00 71.53 C ATOM 876 CE3 TRP A 59 26.287 16.684 -16.334 1.00 43.25 C ATOM 877 CZ2 TRP A 59 23.916 17.461 -15.013 1.00 24.34 C ATOM 878 CZ3 TRP A 59 25.971 18.017 -16.144 1.00 73.44 C ATOM 879 CH2 TRP A 59 24.793 18.396 -15.491 1.00 44.54 C ATOM 0 H TRP A 59 25.468 14.616 -19.038 1.00 74.44 H new ATOM 0 HA TRP A 59 27.070 12.331 -18.234 1.00 50.11 H new ATOM 0 HB2 TRP A 59 26.476 12.439 -15.881 1.00 2.31 H new ATOM 0 HB3 TRP A 59 27.432 13.835 -16.339 1.00 2.31 H new ATOM 0 HD1 TRP A 59 23.967 12.866 -15.061 1.00 32.41 H new ATOM 0 HE1 TRP A 59 22.667 14.974 -14.337 1.00 45.01 H new ATOM 0 HE3 TRP A 59 27.197 16.403 -16.844 1.00 43.25 H new ATOM 0 HZ2 TRP A 59 23.008 17.753 -14.506 1.00 24.34 H new ATOM 0 HZ3 TRP A 59 26.645 18.779 -16.506 1.00 73.44 H new ATOM 0 HH2 TRP A 59 24.572 19.445 -15.362 1.00 44.54 H new ATOM 890 N THR A 60 25.042 11.023 -18.592 1.00 25.34 N ATOM 891 CA THR A 60 23.874 10.183 -18.803 1.00 53.12 C ATOM 892 C THR A 60 23.744 9.145 -17.697 1.00 52.32 C ATOM 893 O THR A 60 22.678 8.985 -17.098 1.00 3.14 O ATOM 894 CB THR A 60 23.943 9.469 -20.165 1.00 72.14 C ATOM 895 OG1 THR A 60 25.313 9.203 -20.503 1.00 12.01 O ATOM 896 CG2 THR A 60 23.289 10.300 -21.257 1.00 24.55 C ATOM 0 H THR A 60 25.930 10.563 -18.792 1.00 25.34 H new ATOM 0 HA THR A 60 23.000 10.834 -18.788 1.00 53.12 H new ATOM 0 HB THR A 60 23.397 8.529 -20.086 1.00 72.14 H new ATOM 0 HG1 THR A 60 25.354 8.747 -21.369 1.00 12.01 H new ATOM 0 HG21 THR A 60 23.354 9.769 -22.207 1.00 24.55 H new ATOM 0 HG22 THR A 60 22.242 10.470 -21.007 1.00 24.55 H new ATOM 0 HG23 THR A 60 23.802 11.258 -21.341 1.00 24.55 H new ATOM 904 N ASP A 61 24.834 8.443 -17.425 1.00 33.13 N ATOM 905 CA ASP A 61 24.837 7.400 -16.409 1.00 24.12 C ATOM 906 C ASP A 61 25.837 7.734 -15.307 1.00 25.15 C ATOM 907 O ASP A 61 26.846 8.394 -15.559 1.00 35.34 O ATOM 908 CB ASP A 61 25.168 6.045 -17.036 1.00 2.25 C ATOM 909 CG ASP A 61 25.145 4.924 -16.024 1.00 11.43 C ATOM 910 OD1 ASP A 61 24.040 4.508 -15.613 1.00 12.31 O ATOM 911 OD2 ASP A 61 26.227 4.470 -15.611 1.00 4.15 O ATOM 0 H ASP A 61 25.730 8.577 -17.894 1.00 33.13 H new ATOM 0 HA ASP A 61 23.842 7.344 -15.968 1.00 24.12 H new ATOM 0 HB2 ASP A 61 24.452 5.830 -17.830 1.00 2.25 H new ATOM 0 HB3 ASP A 61 26.153 6.093 -17.500 1.00 2.25 H new ATOM 916 N LEU A 62 25.558 7.266 -14.094 1.00 21.55 N ATOM 917 CA LEU A 62 26.383 7.590 -12.935 1.00 3.00 C ATOM 918 C LEU A 62 27.467 6.544 -12.700 1.00 51.34 C ATOM 919 O LEU A 62 27.814 6.245 -11.556 1.00 51.51 O ATOM 920 CB LEU A 62 25.514 7.725 -11.684 1.00 71.54 C ATOM 921 CG LEU A 62 24.540 8.903 -11.697 1.00 32.22 C ATOM 922 CD1 LEU A 62 23.781 8.985 -10.383 1.00 31.24 C ATOM 923 CD2 LEU A 62 25.277 10.208 -11.962 1.00 22.21 C ATOM 0 H LEU A 62 24.764 6.659 -13.888 1.00 21.55 H new ATOM 0 HA LEU A 62 26.873 8.541 -13.141 1.00 3.00 H new ATOM 0 HB2 LEU A 62 24.945 6.804 -11.554 1.00 71.54 H new ATOM 0 HB3 LEU A 62 26.166 7.822 -10.816 1.00 71.54 H new ATOM 0 HG LEU A 62 23.824 8.741 -12.502 1.00 32.22 H new ATOM 0 HD11 LEU A 62 23.093 9.830 -10.412 1.00 31.24 H new ATOM 0 HD12 LEU A 62 23.218 8.064 -10.230 1.00 31.24 H new ATOM 0 HD13 LEU A 62 24.486 9.120 -9.563 1.00 31.24 H new ATOM 0 HD21 LEU A 62 24.565 11.033 -11.967 1.00 22.21 H new ATOM 0 HD22 LEU A 62 26.018 10.373 -11.180 1.00 22.21 H new ATOM 0 HD23 LEU A 62 25.777 10.154 -12.929 1.00 22.21 H new ATOM 935 N ARG A 63 27.992 5.988 -13.785 1.00 42.45 N ATOM 936 CA ARG A 63 29.143 5.099 -13.709 1.00 32.00 C ATOM 937 C ARG A 63 30.286 5.845 -13.022 1.00 0.32 C ATOM 938 O ARG A 63 30.709 6.895 -13.508 1.00 73.24 O ATOM 939 CB ARG A 63 29.554 4.651 -15.124 1.00 41.05 C ATOM 940 CG ARG A 63 30.428 3.399 -15.178 1.00 42.42 C ATOM 941 CD ARG A 63 31.844 3.650 -14.676 1.00 14.22 C ATOM 942 NE ARG A 63 32.672 2.446 -14.733 1.00 25.55 N ATOM 943 CZ ARG A 63 33.565 2.108 -13.799 1.00 25.12 C ATOM 944 NH1 ARG A 63 33.753 2.886 -12.740 1.00 1.23 N ATOM 945 NH2 ARG A 63 34.280 1.000 -13.936 1.00 53.21 N ATOM 0 H ARG A 63 27.638 6.138 -14.730 1.00 42.45 H new ATOM 0 HA ARG A 63 28.895 4.207 -13.133 1.00 32.00 H new ATOM 0 HB2 ARG A 63 28.651 4.471 -15.708 1.00 41.05 H new ATOM 0 HB3 ARG A 63 30.088 5.469 -15.607 1.00 41.05 H new ATOM 0 HG2 ARG A 63 29.968 2.613 -14.579 1.00 42.42 H new ATOM 0 HG3 ARG A 63 30.470 3.034 -16.204 1.00 42.42 H new ATOM 0 HD2 ARG A 63 32.306 4.435 -15.274 1.00 14.22 H new ATOM 0 HD3 ARG A 63 31.805 4.013 -13.649 1.00 14.22 H new ATOM 0 HE ARG A 63 32.561 1.826 -15.535 1.00 25.55 H new ATOM 0 HH11 ARG A 63 33.214 3.746 -12.637 1.00 1.23 H new ATOM 0 HH12 ARG A 63 34.436 2.624 -12.029 1.00 1.23 H new ATOM 0 HH21 ARG A 63 34.148 0.406 -14.755 1.00 53.21 H new ATOM 0 HH22 ARG A 63 34.962 0.742 -13.223 1.00 53.21 H new ATOM 959 N PRO A 64 30.778 5.307 -11.884 1.00 42.03 N ATOM 960 CA PRO A 64 31.780 5.955 -11.028 1.00 50.30 C ATOM 961 C PRO A 64 32.799 6.802 -11.788 1.00 15.45 C ATOM 962 O PRO A 64 33.604 6.291 -12.574 1.00 33.12 O ATOM 963 CB PRO A 64 32.447 4.764 -10.353 1.00 33.03 C ATOM 964 CG PRO A 64 31.343 3.776 -10.185 1.00 44.51 C ATOM 965 CD PRO A 64 30.384 3.995 -11.332 1.00 5.45 C ATOM 0 HA PRO A 64 31.326 6.673 -10.344 1.00 50.30 H new ATOM 0 HB2 PRO A 64 33.254 4.360 -10.964 1.00 33.03 H new ATOM 0 HB3 PRO A 64 32.883 5.042 -9.393 1.00 33.03 H new ATOM 0 HG2 PRO A 64 31.731 2.757 -10.194 1.00 44.51 H new ATOM 0 HG3 PRO A 64 30.840 3.917 -9.228 1.00 44.51 H new ATOM 0 HD2 PRO A 64 30.469 3.206 -12.079 1.00 5.45 H new ATOM 0 HD3 PRO A 64 29.349 4.000 -10.991 1.00 5.45 H new ATOM 973 N LYS A 65 32.742 8.103 -11.542 1.00 63.55 N ATOM 974 CA LYS A 65 33.600 9.059 -12.216 1.00 13.53 C ATOM 975 C LYS A 65 34.687 9.547 -11.268 1.00 63.33 C ATOM 976 O LYS A 65 35.815 9.817 -11.677 1.00 73.10 O ATOM 977 CB LYS A 65 32.768 10.242 -12.723 1.00 62.35 C ATOM 978 CG LYS A 65 33.545 11.209 -13.603 1.00 44.04 C ATOM 979 CD LYS A 65 34.084 10.513 -14.842 1.00 24.10 C ATOM 980 CE LYS A 65 32.959 9.969 -15.709 1.00 53.25 C ATOM 981 NZ LYS A 65 33.471 9.079 -16.780 1.00 31.21 N ATOM 0 H LYS A 65 32.100 8.522 -10.870 1.00 63.55 H new ATOM 0 HA LYS A 65 34.074 8.571 -13.068 1.00 13.53 H new ATOM 0 HB2 LYS A 65 31.915 9.860 -13.284 1.00 62.35 H new ATOM 0 HB3 LYS A 65 32.368 10.786 -11.867 1.00 62.35 H new ATOM 0 HG2 LYS A 65 32.898 12.035 -13.899 1.00 44.04 H new ATOM 0 HG3 LYS A 65 34.371 11.638 -13.035 1.00 44.04 H new ATOM 0 HD2 LYS A 65 34.685 11.213 -15.422 1.00 24.10 H new ATOM 0 HD3 LYS A 65 34.743 9.697 -14.545 1.00 24.10 H new ATOM 0 HE2 LYS A 65 32.253 9.420 -15.086 1.00 53.25 H new ATOM 0 HE3 LYS A 65 32.411 10.798 -16.156 1.00 53.25 H new ATOM 0 HZ1 LYS A 65 32.675 8.728 -17.350 1.00 31.21 H new ATOM 0 HZ2 LYS A 65 34.125 9.610 -17.389 1.00 31.21 H new ATOM 0 HZ3 LYS A 65 33.972 8.274 -16.353 1.00 31.21 H new ATOM 995 N SER A 66 34.338 9.655 -9.996 1.00 23.25 N ATOM 996 CA SER A 66 35.289 10.065 -8.983 1.00 12.53 C ATOM 997 C SER A 66 35.799 8.832 -8.249 1.00 33.45 C ATOM 998 O SER A 66 35.076 8.233 -7.447 1.00 53.54 O ATOM 999 CB SER A 66 34.633 11.044 -8.006 1.00 3.34 C ATOM 1000 OG SER A 66 35.576 11.569 -7.089 1.00 43.50 O ATOM 0 H SER A 66 33.400 9.463 -9.643 1.00 23.25 H new ATOM 0 HA SER A 66 36.130 10.573 -9.455 1.00 12.53 H new ATOM 0 HB2 SER A 66 34.170 11.860 -8.562 1.00 3.34 H new ATOM 0 HB3 SER A 66 33.836 10.538 -7.461 1.00 3.34 H new ATOM 0 HG SER A 66 35.128 12.192 -6.479 1.00 43.50 H new ATOM 1006 N LEU A 67 37.026 8.429 -8.543 1.00 44.51 N ATOM 1007 CA LEU A 67 37.580 7.231 -7.944 1.00 12.45 C ATOM 1008 C LEU A 67 38.123 7.531 -6.555 1.00 63.32 C ATOM 1009 O LEU A 67 39.314 7.789 -6.377 1.00 55.43 O ATOM 1010 CB LEU A 67 38.675 6.627 -8.823 1.00 61.34 C ATOM 1011 CG LEU A 67 39.225 5.284 -8.338 1.00 40.13 C ATOM 1012 CD1 LEU A 67 38.130 4.227 -8.327 1.00 43.43 C ATOM 1013 CD2 LEU A 67 40.387 4.838 -9.209 1.00 40.31 C ATOM 0 H LEU A 67 37.651 8.912 -9.188 1.00 44.51 H new ATOM 0 HA LEU A 67 36.776 6.500 -7.856 1.00 12.45 H new ATOM 0 HB2 LEU A 67 38.281 6.499 -9.831 1.00 61.34 H new ATOM 0 HB3 LEU A 67 39.499 7.337 -8.891 1.00 61.34 H new ATOM 0 HG LEU A 67 39.588 5.412 -7.318 1.00 40.13 H new ATOM 0 HD11 LEU A 67 38.542 3.280 -7.979 1.00 43.43 H new ATOM 0 HD12 LEU A 67 37.328 4.541 -7.659 1.00 43.43 H new ATOM 0 HD13 LEU A 67 37.735 4.102 -9.335 1.00 43.43 H new ATOM 0 HD21 LEU A 67 40.765 3.881 -8.849 1.00 40.31 H new ATOM 0 HD22 LEU A 67 40.049 4.730 -10.240 1.00 40.31 H new ATOM 0 HD23 LEU A 67 41.182 5.582 -9.164 1.00 40.31 H new ATOM 1025 N ARG A 68 37.224 7.542 -5.589 1.00 14.23 N ATOM 1026 CA ARG A 68 37.590 7.705 -4.192 1.00 22.22 C ATOM 1027 C ARG A 68 36.949 6.604 -3.364 1.00 73.40 C ATOM 1028 O ARG A 68 35.724 6.520 -3.258 1.00 12.31 O ATOM 1029 CB ARG A 68 37.176 9.083 -3.661 1.00 54.24 C ATOM 1030 CG ARG A 68 35.775 9.509 -4.065 1.00 45.11 C ATOM 1031 CD ARG A 68 35.288 10.690 -3.244 1.00 35.31 C ATOM 1032 NE ARG A 68 36.249 11.790 -3.213 1.00 31.44 N ATOM 1033 CZ ARG A 68 35.972 12.995 -2.721 1.00 50.02 C ATOM 1034 NH1 ARG A 68 34.748 13.277 -2.293 1.00 73.03 N ATOM 1035 NH2 ARG A 68 36.914 13.923 -2.668 1.00 42.20 N ATOM 0 H ARG A 68 36.222 7.439 -5.748 1.00 14.23 H new ATOM 0 HA ARG A 68 38.675 7.634 -4.111 1.00 22.22 H new ATOM 0 HB2 ARG A 68 37.242 9.076 -2.573 1.00 54.24 H new ATOM 0 HB3 ARG A 68 37.888 9.827 -4.019 1.00 54.24 H new ATOM 0 HG2 ARG A 68 35.766 9.773 -5.123 1.00 45.11 H new ATOM 0 HG3 ARG A 68 35.089 8.671 -3.939 1.00 45.11 H new ATOM 0 HD2 ARG A 68 34.345 11.049 -3.655 1.00 35.31 H new ATOM 0 HD3 ARG A 68 35.086 10.360 -2.225 1.00 35.31 H new ATOM 0 HE ARG A 68 37.183 11.625 -3.589 1.00 31.44 H new ATOM 0 HH11 ARG A 68 34.015 12.569 -2.340 1.00 73.03 H new ATOM 0 HH12 ARG A 68 34.540 14.202 -1.917 1.00 73.03 H new ATOM 0 HH21 ARG A 68 37.854 13.715 -3.005 1.00 42.20 H new ATOM 0 HH22 ARG A 68 36.700 14.846 -2.291 1.00 42.20 H new ATOM 1049 N ASP A 69 37.777 5.744 -2.801 1.00 43.42 N ATOM 1050 CA ASP A 69 37.282 4.629 -2.011 1.00 35.03 C ATOM 1051 C ASP A 69 36.928 5.101 -0.608 1.00 44.35 C ATOM 1052 O ASP A 69 37.742 5.033 0.315 1.00 24.24 O ATOM 1053 CB ASP A 69 38.313 3.504 -1.953 1.00 15.24 C ATOM 1054 CG ASP A 69 37.778 2.263 -1.268 1.00 5.01 C ATOM 1055 OD1 ASP A 69 37.172 1.416 -1.959 1.00 51.34 O ATOM 1056 OD2 ASP A 69 37.977 2.118 -0.045 1.00 2.22 O ATOM 0 H ASP A 69 38.793 5.795 -2.875 1.00 43.42 H new ATOM 0 HA ASP A 69 36.383 4.238 -2.489 1.00 35.03 H new ATOM 0 HB2 ASP A 69 38.626 3.250 -2.966 1.00 15.24 H new ATOM 0 HB3 ASP A 69 39.199 3.854 -1.424 1.00 15.24 H new ATOM 1061 N ALA A 70 35.726 5.637 -0.477 1.00 31.34 N ATOM 1062 CA ALA A 70 35.232 6.126 0.799 1.00 34.42 C ATOM 1063 C ALA A 70 33.715 6.037 0.839 1.00 3.43 C ATOM 1064 O ALA A 70 33.016 6.942 0.378 1.00 31.54 O ATOM 1065 CB ALA A 70 35.687 7.560 1.040 1.00 74.14 C ATOM 0 H ALA A 70 35.068 5.745 -1.249 1.00 31.34 H new ATOM 0 HA ALA A 70 35.643 5.502 1.592 1.00 34.42 H new ATOM 0 HB1 ALA A 70 35.306 7.906 2.001 1.00 74.14 H new ATOM 0 HB2 ALA A 70 36.776 7.600 1.046 1.00 74.14 H new ATOM 0 HB3 ALA A 70 35.305 8.201 0.246 1.00 74.14 H new ATOM 1071 N MET A 71 33.207 4.930 1.349 1.00 45.13 N ATOM 1072 CA MET A 71 31.771 4.731 1.447 1.00 4.24 C ATOM 1073 C MET A 71 31.254 5.301 2.759 1.00 23.21 C ATOM 1074 O MET A 71 31.470 4.727 3.829 1.00 22.34 O ATOM 1075 CB MET A 71 31.419 3.244 1.331 1.00 35.40 C ATOM 1076 CG MET A 71 29.923 2.972 1.298 1.00 23.12 C ATOM 1077 SD MET A 71 29.092 3.841 -0.047 1.00 51.33 S ATOM 1078 CE MET A 71 27.418 3.231 0.139 1.00 40.34 C ATOM 0 H MET A 71 33.767 4.154 1.702 1.00 45.13 H new ATOM 0 HA MET A 71 31.291 5.257 0.622 1.00 4.24 H new ATOM 0 HB2 MET A 71 31.873 2.842 0.425 1.00 35.40 H new ATOM 0 HB3 MET A 71 31.858 2.709 2.173 1.00 35.40 H new ATOM 0 HG2 MET A 71 29.754 1.900 1.193 1.00 23.12 H new ATOM 0 HG3 MET A 71 29.481 3.273 2.248 1.00 23.12 H new ATOM 0 HE1 MET A 71 26.922 3.229 -0.831 1.00 40.34 H new ATOM 0 HE2 MET A 71 27.443 2.216 0.536 1.00 40.34 H new ATOM 0 HE3 MET A 71 26.870 3.876 0.826 1.00 40.34 H new ATOM 1088 N VAL A 72 30.602 6.448 2.673 1.00 63.22 N ATOM 1089 CA VAL A 72 30.059 7.104 3.848 1.00 20.35 C ATOM 1090 C VAL A 72 28.574 6.796 3.978 1.00 74.04 C ATOM 1091 O VAL A 72 27.736 7.419 3.322 1.00 55.44 O ATOM 1092 CB VAL A 72 30.267 8.635 3.799 1.00 25.34 C ATOM 1093 CG1 VAL A 72 29.774 9.287 5.084 1.00 15.15 C ATOM 1094 CG2 VAL A 72 31.733 8.967 3.552 1.00 1.10 C ATOM 0 H VAL A 72 30.436 6.945 1.798 1.00 63.22 H new ATOM 0 HA VAL A 72 30.595 6.718 4.715 1.00 20.35 H new ATOM 0 HB VAL A 72 29.682 9.035 2.971 1.00 25.34 H new ATOM 0 HG11 VAL A 72 29.930 10.364 5.028 1.00 15.15 H new ATOM 0 HG12 VAL A 72 28.712 9.080 5.213 1.00 15.15 H new ATOM 0 HG13 VAL A 72 30.327 8.884 5.932 1.00 15.15 H new ATOM 0 HG21 VAL A 72 31.861 10.049 3.521 1.00 1.10 H new ATOM 0 HG22 VAL A 72 32.340 8.553 4.357 1.00 1.10 H new ATOM 0 HG23 VAL A 72 32.048 8.537 2.601 1.00 1.10 H new ATOM 1104 N GLU A 73 28.261 5.812 4.800 1.00 42.10 N ATOM 1105 CA GLU A 73 26.883 5.413 5.022 1.00 31.53 C ATOM 1106 C GLU A 73 26.317 6.133 6.241 1.00 63.01 C ATOM 1107 O GLU A 73 26.971 7.008 6.818 1.00 71.10 O ATOM 1108 CB GLU A 73 26.800 3.894 5.200 1.00 14.44 C ATOM 1109 CG GLU A 73 27.314 3.121 3.993 1.00 61.51 C ATOM 1110 CD GLU A 73 27.257 1.619 4.181 1.00 54.52 C ATOM 1111 OE1 GLU A 73 26.159 1.041 4.033 1.00 71.22 O ATOM 1112 OE2 GLU A 73 28.309 1.010 4.477 1.00 45.14 O ATOM 0 H GLU A 73 28.946 5.271 5.328 1.00 42.10 H new ATOM 0 HA GLU A 73 26.286 5.692 4.153 1.00 31.53 H new ATOM 0 HB2 GLU A 73 27.375 3.606 6.080 1.00 14.44 H new ATOM 0 HB3 GLU A 73 25.764 3.613 5.390 1.00 14.44 H new ATOM 0 HG2 GLU A 73 26.726 3.394 3.117 1.00 61.51 H new ATOM 0 HG3 GLU A 73 28.343 3.417 3.791 1.00 61.51 H new ATOM 1119 N ASP A 74 25.102 5.782 6.621 1.00 54.20 N ATOM 1120 CA ASP A 74 24.469 6.396 7.778 1.00 62.35 C ATOM 1121 C ASP A 74 24.730 5.558 9.018 1.00 53.00 C ATOM 1122 O ASP A 74 24.060 4.519 9.189 1.00 23.45 O ATOM 1123 CB ASP A 74 22.965 6.564 7.556 1.00 30.50 C ATOM 1124 CG ASP A 74 22.290 7.273 8.713 1.00 30.14 C ATOM 1125 OD1 ASP A 74 22.605 8.458 8.954 1.00 50.44 O ATOM 1126 OD2 ASP A 74 21.432 6.664 9.381 1.00 23.10 O ATOM 1127 OXT ASP A 74 25.625 5.925 9.803 1.00 0.00 O ATOM 0 H ASP A 74 24.534 5.078 6.149 1.00 54.20 H new ATOM 0 HA ASP A 74 24.901 7.387 7.920 1.00 62.35 H new ATOM 0 HB2 ASP A 74 22.796 7.128 6.639 1.00 30.50 H new ATOM 0 HB3 ASP A 74 22.509 5.584 7.417 1.00 30.50 H new TER 1132 ASP A 74