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 Set 1.1: A 43 HIS : no HD1:sc= -5.03! C(o=-4.5!,f=-2.9!) USER MOD Set 1.2: A 51 CYS SG : rot -65:sc= 0.528 USER MOD Single : A 1 GLY N :NH3+ -116:sc= 0.0768 (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 162:sc= -0.104 (180deg=-0.541) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 42:sc= -0.235 USER MOD Single : A 7 ASN : amide:sc= -0.188 K(o=-0.19,f=-5!) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 ASN : amide:sc= -0.913 K(o=-0.91,f=-5!) USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 26 HIS : no HD1:sc= 0.02 K(o=0.02,f=-3.7!) USER MOD Single : A 27 SER OG : rot 70:sc= 1.22 USER MOD Single : A 47 SER OG : rot 180:sc= 0.0101 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 171:sc= 1.26 (180deg=1.09) USER MOD Single : A 58 ASN : amide:sc= -1.14 K(o=-1.1,f=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 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 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 19.866 30.863 -34.598 1.00 31.20 N ATOM 2 CA GLY A 1 18.911 31.894 -35.071 1.00 10.23 C ATOM 3 C GLY A 1 18.733 33.011 -34.066 1.00 51.44 C ATOM 4 O GLY A 1 19.204 32.911 -32.932 1.00 41.30 O ATOM 0 H1 GLY A 1 20.695 30.844 -35.226 1.00 31.20 H new ATOM 0 H2 GLY A 1 20.170 31.090 -33.630 1.00 31.20 H new ATOM 0 H3 GLY A 1 19.404 29.932 -34.606 1.00 31.20 H new ATOM 0 HA2 GLY A 1 19.265 32.309 -36.015 1.00 10.23 H new ATOM 0 HA3 GLY A 1 17.945 31.429 -35.270 1.00 10.23 H new ATOM 10 N SER A 2 18.051 34.072 -34.476 1.00 44.31 N ATOM 11 CA SER A 2 17.819 35.216 -33.608 1.00 51.41 C ATOM 12 C SER A 2 16.678 34.921 -32.638 1.00 3.41 C ATOM 13 O SER A 2 15.737 34.198 -32.970 1.00 33.54 O ATOM 14 CB SER A 2 17.495 36.455 -34.450 1.00 75.52 C ATOM 15 OG SER A 2 17.410 37.620 -33.646 1.00 2.30 O ATOM 0 H SER A 2 17.648 34.163 -35.408 1.00 44.31 H new ATOM 0 HA SER A 2 18.723 35.410 -33.031 1.00 51.41 H new ATOM 0 HB2 SER A 2 18.264 36.591 -35.210 1.00 75.52 H new ATOM 0 HB3 SER A 2 16.552 36.304 -34.975 1.00 75.52 H new ATOM 0 HG SER A 2 17.204 38.393 -34.212 1.00 2.30 H new ATOM 21 N HIS A 3 16.775 35.462 -31.429 1.00 30.40 N ATOM 22 CA HIS A 3 15.741 35.270 -30.421 1.00 72.41 C ATOM 23 C HIS A 3 15.262 36.616 -29.893 1.00 50.22 C ATOM 24 O HIS A 3 16.060 37.528 -29.669 1.00 32.52 O ATOM 25 CB HIS A 3 16.257 34.416 -29.255 1.00 44.24 C ATOM 26 CG HIS A 3 16.751 33.059 -29.654 1.00 22.24 C ATOM 27 ND1 HIS A 3 15.913 31.999 -29.927 1.00 21.41 N ATOM 28 CD2 HIS A 3 18.013 32.588 -29.815 1.00 61.01 C ATOM 29 CE1 HIS A 3 16.634 30.939 -30.237 1.00 61.52 C ATOM 30 NE2 HIS A 3 17.910 31.268 -30.178 1.00 75.34 N ATOM 0 H HIS A 3 17.560 36.037 -31.124 1.00 30.40 H new ATOM 0 HA HIS A 3 14.909 34.748 -30.893 1.00 72.41 H new ATOM 0 HB2 HIS A 3 17.065 34.952 -28.758 1.00 44.24 H new ATOM 0 HB3 HIS A 3 15.456 34.298 -28.525 1.00 44.24 H new ATOM 0 HD2 HIS A 3 18.928 33.147 -29.682 1.00 61.01 H new ATOM 0 HE1 HIS A 3 16.245 29.965 -30.496 1.00 61.52 H new ATOM 0 HE2 HIS A 3 18.693 30.643 -30.371 1.00 75.34 H new ATOM 39 N MET A 4 13.955 36.735 -29.709 1.00 3.32 N ATOM 40 CA MET A 4 13.358 37.941 -29.155 1.00 2.41 C ATOM 41 C MET A 4 12.067 37.589 -28.431 1.00 55.24 C ATOM 42 O MET A 4 11.512 36.508 -28.639 1.00 31.15 O ATOM 43 CB MET A 4 13.096 38.979 -30.253 1.00 71.04 C ATOM 44 CG MET A 4 12.147 38.509 -31.343 1.00 71.13 C ATOM 45 SD MET A 4 11.787 39.803 -32.549 1.00 63.41 S ATOM 46 CE MET A 4 13.420 40.129 -33.208 1.00 35.41 C ATOM 0 H MET A 4 13.282 36.003 -29.938 1.00 3.32 H new ATOM 0 HA MET A 4 14.057 38.380 -28.443 1.00 2.41 H new ATOM 0 HB2 MET A 4 12.687 39.880 -29.795 1.00 71.04 H new ATOM 0 HB3 MET A 4 14.046 39.256 -30.709 1.00 71.04 H new ATOM 0 HG2 MET A 4 12.583 37.651 -31.855 1.00 71.13 H new ATOM 0 HG3 MET A 4 11.216 38.171 -30.889 1.00 71.13 H new ATOM 0 HE1 MET A 4 13.330 40.653 -34.159 1.00 35.41 H new ATOM 0 HE2 MET A 4 13.980 40.746 -32.505 1.00 35.41 H new ATOM 0 HE3 MET A 4 13.945 39.186 -33.361 1.00 35.41 H new ATOM 56 N SER A 5 11.588 38.494 -27.590 1.00 72.44 N ATOM 57 CA SER A 5 10.416 38.222 -26.772 1.00 62.14 C ATOM 58 C SER A 5 9.136 38.523 -27.550 1.00 41.42 C ATOM 59 O SER A 5 8.439 39.498 -27.275 1.00 73.33 O ATOM 60 CB SER A 5 10.471 39.041 -25.474 1.00 23.11 C ATOM 61 OG SER A 5 9.491 38.611 -24.538 1.00 55.22 O ATOM 0 H SER A 5 11.992 39.421 -27.457 1.00 72.44 H new ATOM 0 HA SER A 5 10.412 37.164 -26.511 1.00 62.14 H new ATOM 0 HB2 SER A 5 11.462 38.952 -25.030 1.00 23.11 H new ATOM 0 HB3 SER A 5 10.318 40.096 -25.703 1.00 23.11 H new ATOM 0 HG SER A 5 9.556 39.153 -23.724 1.00 55.22 H new ATOM 67 N THR A 6 8.862 37.692 -28.546 1.00 40.04 N ATOM 68 CA THR A 6 7.639 37.791 -29.333 1.00 24.21 C ATOM 69 C THR A 6 7.091 36.398 -29.607 1.00 14.44 C ATOM 70 O THR A 6 7.692 35.628 -30.359 1.00 35.34 O ATOM 71 CB THR A 6 7.884 38.510 -30.680 1.00 73.13 C ATOM 72 OG1 THR A 6 8.986 37.901 -31.362 1.00 12.14 O ATOM 73 CG2 THR A 6 8.157 39.995 -30.475 1.00 54.50 C ATOM 0 H THR A 6 9.479 36.932 -28.831 1.00 40.04 H new ATOM 0 HA THR A 6 6.921 38.375 -28.757 1.00 24.21 H new ATOM 0 HB THR A 6 6.982 38.414 -31.284 1.00 73.13 H new ATOM 0 HG1 THR A 6 8.927 36.927 -31.275 1.00 12.14 H new ATOM 0 HG21 THR A 6 8.325 40.471 -31.441 1.00 54.50 H new ATOM 0 HG22 THR A 6 7.300 40.458 -29.986 1.00 54.50 H new ATOM 0 HG23 THR A 6 9.042 40.119 -29.851 1.00 54.50 H new ATOM 81 N ASN A 7 5.969 36.058 -28.993 1.00 21.12 N ATOM 82 CA ASN A 7 5.403 34.729 -29.160 1.00 5.45 C ATOM 83 C ASN A 7 4.050 34.768 -29.865 1.00 71.11 C ATOM 84 O ASN A 7 3.020 35.079 -29.269 1.00 71.44 O ATOM 85 CB ASN A 7 5.289 33.999 -27.813 1.00 2.25 C ATOM 86 CG ASN A 7 4.423 34.717 -26.787 1.00 64.14 C ATOM 87 OD1 ASN A 7 4.370 35.948 -26.732 1.00 33.10 O ATOM 88 ND2 ASN A 7 3.729 33.942 -25.974 1.00 14.13 N ATOM 0 H ASN A 7 5.437 36.676 -28.381 1.00 21.12 H new ATOM 0 HA ASN A 7 6.090 34.171 -29.796 1.00 5.45 H new ATOM 0 HB2 ASN A 7 4.879 33.004 -27.985 1.00 2.25 H new ATOM 0 HB3 ASN A 7 6.288 33.865 -27.399 1.00 2.25 H new ATOM 0 HD21 ASN A 7 3.121 34.358 -25.268 1.00 14.13 H new ATOM 0 HD22 ASN A 7 3.801 32.927 -26.052 1.00 14.13 H new ATOM 95 N PRO A 8 4.044 34.477 -31.170 1.00 32.14 N ATOM 96 CA PRO A 8 2.824 34.311 -31.947 1.00 3.51 C ATOM 97 C PRO A 8 2.419 32.841 -32.039 1.00 72.03 C ATOM 98 O PRO A 8 1.636 32.448 -32.903 1.00 13.12 O ATOM 99 CB PRO A 8 3.245 34.844 -33.312 1.00 60.32 C ATOM 100 CG PRO A 8 4.700 34.491 -33.428 1.00 2.35 C ATOM 101 CD PRO A 8 5.235 34.324 -32.021 1.00 35.24 C ATOM 0 HA PRO A 8 1.960 34.818 -31.518 1.00 3.51 H new ATOM 0 HB2 PRO A 8 2.662 34.388 -34.112 1.00 60.32 H new ATOM 0 HB3 PRO A 8 3.092 35.921 -33.381 1.00 60.32 H new ATOM 0 HG2 PRO A 8 4.828 33.572 -34.000 1.00 2.35 H new ATOM 0 HG3 PRO A 8 5.245 35.274 -33.956 1.00 2.35 H new ATOM 0 HD2 PRO A 8 5.702 33.348 -31.884 1.00 35.24 H new ATOM 0 HD3 PRO A 8 5.991 35.074 -31.789 1.00 35.24 H new ATOM 109 N PHE A 9 2.962 32.040 -31.132 1.00 64.42 N ATOM 110 CA PHE A 9 2.779 30.596 -31.162 1.00 65.22 C ATOM 111 C PHE A 9 1.660 30.154 -30.217 1.00 52.40 C ATOM 112 O PHE A 9 0.799 30.951 -29.835 1.00 1.13 O ATOM 113 CB PHE A 9 4.088 29.906 -30.772 1.00 74.45 C ATOM 114 CG PHE A 9 5.250 30.264 -31.656 1.00 53.32 C ATOM 115 CD1 PHE A 9 5.250 29.919 -32.998 1.00 14.23 C ATOM 116 CD2 PHE A 9 6.343 30.941 -31.143 1.00 55.12 C ATOM 117 CE1 PHE A 9 6.319 30.247 -33.811 1.00 51.32 C ATOM 118 CE2 PHE A 9 7.415 31.270 -31.951 1.00 3.35 C ATOM 119 CZ PHE A 9 7.402 30.922 -33.287 1.00 24.54 C ATOM 0 H PHE A 9 3.539 32.371 -30.359 1.00 64.42 H new ATOM 0 HA PHE A 9 2.496 30.310 -32.175 1.00 65.22 H new ATOM 0 HB2 PHE A 9 4.333 30.167 -29.743 1.00 74.45 H new ATOM 0 HB3 PHE A 9 3.941 28.826 -30.800 1.00 74.45 H new ATOM 0 HD1 PHE A 9 4.406 29.388 -33.413 1.00 14.23 H new ATOM 0 HD2 PHE A 9 6.358 31.215 -30.099 1.00 55.12 H new ATOM 0 HE1 PHE A 9 6.306 29.975 -34.856 1.00 51.32 H new ATOM 0 HE2 PHE A 9 8.261 31.798 -31.538 1.00 3.35 H new ATOM 0 HZ PHE A 9 8.238 31.178 -33.921 1.00 24.54 H new ATOM 129 N ASP A 10 1.686 28.878 -29.844 1.00 53.22 N ATOM 130 CA ASP A 10 0.659 28.297 -28.980 1.00 14.33 C ATOM 131 C ASP A 10 1.020 28.526 -27.507 1.00 73.42 C ATOM 132 O ASP A 10 1.963 29.261 -27.203 1.00 2.11 O ATOM 133 CB ASP A 10 0.521 26.794 -29.284 1.00 13.04 C ATOM 134 CG ASP A 10 -0.729 26.175 -28.684 1.00 73.13 C ATOM 135 OD1 ASP A 10 -1.829 26.403 -29.222 1.00 23.45 O ATOM 136 OD2 ASP A 10 -0.619 25.464 -27.662 1.00 30.21 O ATOM 0 H ASP A 10 2.412 28.221 -30.128 1.00 53.22 H new ATOM 0 HA ASP A 10 -0.298 28.782 -29.174 1.00 14.33 H new ATOM 0 HB2 ASP A 10 0.508 26.648 -30.364 1.00 13.04 H new ATOM 0 HB3 ASP A 10 1.397 26.271 -28.902 1.00 13.04 H new ATOM 141 N ASP A 11 0.271 27.901 -26.605 1.00 31.23 N ATOM 142 CA ASP A 11 0.481 28.056 -25.170 1.00 35.51 C ATOM 143 C ASP A 11 1.868 27.573 -24.761 1.00 71.44 C ATOM 144 O ASP A 11 2.286 26.465 -25.113 1.00 54.05 O ATOM 145 CB ASP A 11 -0.597 27.293 -24.397 1.00 61.34 C ATOM 146 CG ASP A 11 -0.400 27.351 -22.895 1.00 53.53 C ATOM 147 OD1 ASP A 11 -0.314 28.467 -22.345 1.00 3.52 O ATOM 148 OD2 ASP A 11 -0.359 26.277 -22.255 1.00 42.35 O ATOM 0 H ASP A 11 -0.497 27.274 -26.847 1.00 31.23 H new ATOM 0 HA ASP A 11 0.410 29.116 -24.928 1.00 35.51 H new ATOM 0 HB2 ASP A 11 -1.575 27.705 -24.646 1.00 61.34 H new ATOM 0 HB3 ASP A 11 -0.598 26.251 -24.718 1.00 61.34 H new ATOM 153 N ASP A 12 2.576 28.421 -24.034 1.00 65.11 N ATOM 154 CA ASP A 12 3.932 28.126 -23.587 1.00 24.13 C ATOM 155 C ASP A 12 3.919 27.564 -22.165 1.00 30.20 C ATOM 156 O ASP A 12 2.946 27.740 -21.428 1.00 73.51 O ATOM 157 CB ASP A 12 4.788 29.399 -23.668 1.00 60.44 C ATOM 158 CG ASP A 12 6.126 29.269 -22.967 1.00 73.13 C ATOM 159 OD1 ASP A 12 6.914 28.373 -23.330 1.00 41.33 O ATOM 160 OD2 ASP A 12 6.374 30.049 -22.026 1.00 30.44 O ATOM 0 H ASP A 12 2.230 29.333 -23.736 1.00 65.11 H new ATOM 0 HA ASP A 12 4.367 27.368 -24.239 1.00 24.13 H new ATOM 0 HB2 ASP A 12 4.957 29.648 -24.716 1.00 60.44 H new ATOM 0 HB3 ASP A 12 4.235 30.229 -23.228 1.00 60.44 H new ATOM 165 N ASN A 13 5.000 26.897 -21.783 1.00 24.34 N ATOM 166 CA ASN A 13 5.097 26.260 -20.471 1.00 3.22 C ATOM 167 C ASN A 13 5.452 27.271 -19.385 1.00 11.43 C ATOM 168 O ASN A 13 5.373 26.973 -18.192 1.00 23.33 O ATOM 169 CB ASN A 13 6.140 25.138 -20.491 1.00 25.12 C ATOM 170 CG ASN A 13 5.625 23.863 -21.135 1.00 32.43 C ATOM 171 OD1 ASN A 13 5.089 22.986 -20.455 1.00 55.12 O ATOM 172 ND2 ASN A 13 5.780 23.743 -22.447 1.00 12.21 N ATOM 0 H ASN A 13 5.829 26.781 -22.366 1.00 24.34 H new ATOM 0 HA ASN A 13 4.119 25.837 -20.241 1.00 3.22 H new ATOM 0 HB2 ASN A 13 7.024 25.480 -21.030 1.00 25.12 H new ATOM 0 HB3 ASN A 13 6.453 24.922 -19.470 1.00 25.12 H new ATOM 0 HD21 ASN A 13 5.451 22.904 -22.925 1.00 12.21 H new ATOM 0 HD22 ASN A 13 6.228 24.490 -22.978 1.00 12.21 H new ATOM 179 N GLY A 14 5.855 28.462 -19.798 1.00 51.13 N ATOM 180 CA GLY A 14 6.199 29.496 -18.847 1.00 21.14 C ATOM 181 C GLY A 14 7.684 29.589 -18.633 1.00 35.24 C ATOM 182 O GLY A 14 8.374 30.392 -19.266 1.00 24.13 O ATOM 0 H GLY A 14 5.950 28.731 -20.777 1.00 51.13 H new ATOM 0 HA2 GLY A 14 5.823 30.455 -19.202 1.00 21.14 H new ATOM 0 HA3 GLY A 14 5.707 29.293 -17.896 1.00 21.14 H new ATOM 186 N ALA A 15 8.170 28.758 -17.742 1.00 10.03 N ATOM 187 CA ALA A 15 9.585 28.692 -17.437 1.00 40.42 C ATOM 188 C ALA A 15 9.931 27.344 -16.823 1.00 10.11 C ATOM 189 O ALA A 15 9.113 26.736 -16.129 1.00 53.33 O ATOM 190 CB ALA A 15 9.979 29.824 -16.498 1.00 42.14 C ATOM 0 H ALA A 15 7.597 28.106 -17.206 1.00 10.03 H new ATOM 0 HA ALA A 15 10.147 28.803 -18.365 1.00 40.42 H new ATOM 0 HB1 ALA A 15 11.045 29.760 -16.279 1.00 42.14 H new ATOM 0 HB2 ALA A 15 9.763 30.782 -16.972 1.00 42.14 H new ATOM 0 HB3 ALA A 15 9.412 29.741 -15.571 1.00 42.14 H new ATOM 196 N PHE A 16 11.136 26.878 -17.093 1.00 2.14 N ATOM 197 CA PHE A 16 11.635 25.627 -16.540 1.00 60.34 C ATOM 198 C PHE A 16 13.127 25.751 -16.265 1.00 23.33 C ATOM 199 O PHE A 16 13.835 26.447 -16.989 1.00 2.33 O ATOM 200 CB PHE A 16 11.356 24.458 -17.498 1.00 41.43 C ATOM 201 CG PHE A 16 11.404 24.847 -18.948 1.00 42.52 C ATOM 202 CD1 PHE A 16 12.586 25.260 -19.529 1.00 52.44 C ATOM 203 CD2 PHE A 16 10.255 24.813 -19.724 1.00 61.53 C ATOM 204 CE1 PHE A 16 12.627 25.637 -20.851 1.00 24.33 C ATOM 205 CE2 PHE A 16 10.290 25.185 -21.053 1.00 23.23 C ATOM 206 CZ PHE A 16 11.479 25.599 -21.619 1.00 4.31 C ATOM 0 H PHE A 16 11.800 27.355 -17.703 1.00 2.14 H new ATOM 0 HA PHE A 16 11.116 25.422 -15.604 1.00 60.34 H new ATOM 0 HB2 PHE A 16 12.086 23.669 -17.317 1.00 41.43 H new ATOM 0 HB3 PHE A 16 10.374 24.042 -17.274 1.00 41.43 H new ATOM 0 HD1 PHE A 16 13.490 25.287 -18.938 1.00 52.44 H new ATOM 0 HD2 PHE A 16 9.323 24.492 -19.284 1.00 61.53 H new ATOM 0 HE1 PHE A 16 13.558 25.963 -21.290 1.00 24.33 H new ATOM 0 HE2 PHE A 16 9.389 25.152 -21.648 1.00 23.23 H new ATOM 0 HZ PHE A 16 11.512 25.892 -22.658 1.00 4.31 H new ATOM 216 N PHE A 17 13.593 25.104 -15.213 1.00 3.34 N ATOM 217 CA PHE A 17 14.999 25.177 -14.837 1.00 51.42 C ATOM 218 C PHE A 17 15.646 23.801 -14.874 1.00 72.30 C ATOM 219 O PHE A 17 14.965 22.775 -14.960 1.00 3.33 O ATOM 220 CB PHE A 17 15.167 25.752 -13.424 1.00 31.34 C ATOM 221 CG PHE A 17 14.974 27.241 -13.295 1.00 30.40 C ATOM 222 CD1 PHE A 17 14.601 28.023 -14.377 1.00 64.43 C ATOM 223 CD2 PHE A 17 15.171 27.856 -12.071 1.00 72.20 C ATOM 224 CE1 PHE A 17 14.428 29.388 -14.237 1.00 12.45 C ATOM 225 CE2 PHE A 17 15.001 29.219 -11.925 1.00 73.11 C ATOM 226 CZ PHE A 17 14.628 29.987 -13.009 1.00 52.41 C ATOM 0 H PHE A 17 13.021 24.521 -14.602 1.00 3.34 H new ATOM 0 HA PHE A 17 15.485 25.833 -15.559 1.00 51.42 H new ATOM 0 HB2 PHE A 17 14.458 25.254 -12.763 1.00 31.34 H new ATOM 0 HB3 PHE A 17 16.166 25.502 -13.067 1.00 31.34 H new ATOM 0 HD1 PHE A 17 14.444 27.561 -15.340 1.00 64.43 H new ATOM 0 HD2 PHE A 17 15.462 27.262 -11.218 1.00 72.20 H new ATOM 0 HE1 PHE A 17 14.136 29.985 -15.088 1.00 12.45 H new ATOM 0 HE2 PHE A 17 15.160 29.683 -10.963 1.00 73.11 H new ATOM 0 HZ PHE A 17 14.493 31.053 -12.897 1.00 52.41 H new ATOM 236 N VAL A 18 16.966 23.795 -14.793 1.00 4.01 N ATOM 237 CA VAL A 18 17.721 22.559 -14.693 1.00 72.22 C ATOM 238 C VAL A 18 18.037 22.277 -13.232 1.00 33.02 C ATOM 239 O VAL A 18 18.940 22.883 -12.646 1.00 72.11 O ATOM 240 CB VAL A 18 19.026 22.614 -15.514 1.00 32.12 C ATOM 241 CG1 VAL A 18 19.881 21.382 -15.261 1.00 55.43 C ATOM 242 CG2 VAL A 18 18.713 22.747 -16.998 1.00 12.33 C ATOM 0 H VAL A 18 17.539 24.639 -14.795 1.00 4.01 H new ATOM 0 HA VAL A 18 17.110 21.756 -15.105 1.00 72.22 H new ATOM 0 HB VAL A 18 19.591 23.490 -15.195 1.00 32.12 H new ATOM 0 HG11 VAL A 18 20.795 21.446 -15.852 1.00 55.43 H new ATOM 0 HG12 VAL A 18 20.136 21.327 -14.203 1.00 55.43 H new ATOM 0 HG13 VAL A 18 19.326 20.489 -15.547 1.00 55.43 H new ATOM 0 HG21 VAL A 18 19.644 22.785 -17.564 1.00 12.33 H new ATOM 0 HG22 VAL A 18 18.124 21.890 -17.324 1.00 12.33 H new ATOM 0 HG23 VAL A 18 18.147 23.662 -17.170 1.00 12.33 H new ATOM 252 N LEU A 19 17.273 21.371 -12.648 1.00 51.11 N ATOM 253 CA LEU A 19 17.380 21.079 -11.233 1.00 23.23 C ATOM 254 C LEU A 19 18.179 19.800 -11.027 1.00 33.24 C ATOM 255 O LEU A 19 17.898 18.775 -11.648 1.00 54.22 O ATOM 256 CB LEU A 19 15.982 20.925 -10.623 1.00 53.14 C ATOM 257 CG LEU A 19 15.905 21.099 -9.109 1.00 54.41 C ATOM 258 CD1 LEU A 19 16.171 22.546 -8.736 1.00 73.41 C ATOM 259 CD2 LEU A 19 14.548 20.651 -8.589 1.00 25.42 C ATOM 0 H LEU A 19 16.567 20.822 -13.138 1.00 51.11 H new ATOM 0 HA LEU A 19 17.894 21.903 -10.738 1.00 23.23 H new ATOM 0 HB2 LEU A 19 15.319 21.653 -11.089 1.00 53.14 H new ATOM 0 HB3 LEU A 19 15.600 19.936 -10.878 1.00 53.14 H new ATOM 0 HG LEU A 19 16.669 20.475 -8.645 1.00 54.41 H new ATOM 0 HD11 LEU A 19 16.114 22.659 -7.653 1.00 73.41 H new ATOM 0 HD12 LEU A 19 17.165 22.833 -9.079 1.00 73.41 H new ATOM 0 HD13 LEU A 19 15.426 23.186 -9.208 1.00 73.41 H new ATOM 0 HD21 LEU A 19 14.511 20.782 -7.508 1.00 25.42 H new ATOM 0 HD22 LEU A 19 13.765 21.249 -9.054 1.00 25.42 H new ATOM 0 HD23 LEU A 19 14.394 19.600 -8.832 1.00 25.42 H new ATOM 271 N VAL A 20 19.187 19.869 -10.177 1.00 54.31 N ATOM 272 CA VAL A 20 20.000 18.706 -9.856 1.00 1.04 C ATOM 273 C VAL A 20 20.102 18.543 -8.343 1.00 52.45 C ATOM 274 O VAL A 20 20.144 19.532 -7.607 1.00 22.12 O ATOM 275 CB VAL A 20 21.418 18.824 -10.468 1.00 31.22 C ATOM 276 CG1 VAL A 20 22.276 17.612 -10.129 1.00 65.21 C ATOM 277 CG2 VAL A 20 21.338 19.011 -11.978 1.00 44.44 C ATOM 0 H VAL A 20 19.465 20.723 -9.693 1.00 54.31 H new ATOM 0 HA VAL A 20 19.517 17.829 -10.285 1.00 1.04 H new ATOM 0 HB VAL A 20 21.892 19.702 -10.030 1.00 31.22 H new ATOM 0 HG11 VAL A 20 23.264 17.729 -10.575 1.00 65.21 H new ATOM 0 HG12 VAL A 20 22.374 17.527 -9.047 1.00 65.21 H new ATOM 0 HG13 VAL A 20 21.805 16.711 -10.523 1.00 65.21 H new ATOM 0 HG21 VAL A 20 22.345 19.092 -12.388 1.00 44.44 H new ATOM 0 HG22 VAL A 20 20.832 18.155 -12.424 1.00 44.44 H new ATOM 0 HG23 VAL A 20 20.780 19.920 -12.203 1.00 44.44 H new ATOM 287 N ASN A 21 20.110 17.302 -7.886 1.00 13.51 N ATOM 288 CA ASN A 21 20.245 16.999 -6.468 1.00 61.42 C ATOM 289 C ASN A 21 21.451 16.084 -6.276 1.00 15.32 C ATOM 290 O ASN A 21 22.030 15.624 -7.254 1.00 60.15 O ATOM 291 CB ASN A 21 18.956 16.343 -5.951 1.00 40.23 C ATOM 292 CG ASN A 21 18.950 16.122 -4.447 1.00 14.14 C ATOM 293 OD1 ASN A 21 19.354 15.062 -3.967 1.00 1.33 O ATOM 294 ND2 ASN A 21 18.509 17.120 -3.696 1.00 30.15 N ATOM 0 H ASN A 21 20.024 16.479 -8.482 1.00 13.51 H new ATOM 0 HA ASN A 21 20.403 17.914 -5.897 1.00 61.42 H new ATOM 0 HB2 ASN A 21 18.105 16.968 -6.222 1.00 40.23 H new ATOM 0 HB3 ASN A 21 18.819 15.385 -6.452 1.00 40.23 H new ATOM 0 HD21 ASN A 21 18.496 17.027 -2.680 1.00 30.15 H new ATOM 0 HD22 ASN A 21 18.183 17.982 -4.133 1.00 30.15 H new ATOM 301 N ASP A 22 21.832 15.810 -5.036 1.00 31.34 N ATOM 302 CA ASP A 22 23.012 14.991 -4.770 1.00 71.21 C ATOM 303 C ASP A 22 22.782 13.553 -5.229 1.00 5.13 C ATOM 304 O ASP A 22 23.712 12.864 -5.647 1.00 75.41 O ATOM 305 CB ASP A 22 23.356 15.023 -3.279 1.00 63.32 C ATOM 306 CG ASP A 22 24.647 14.295 -2.957 1.00 13.22 C ATOM 307 OD1 ASP A 22 25.729 14.814 -3.298 1.00 4.44 O ATOM 308 OD2 ASP A 22 24.588 13.212 -2.338 1.00 22.11 O ATOM 0 H ASP A 22 21.346 16.139 -4.202 1.00 31.34 H new ATOM 0 HA ASP A 22 23.850 15.403 -5.332 1.00 71.21 H new ATOM 0 HB2 ASP A 22 23.438 16.060 -2.952 1.00 63.32 H new ATOM 0 HB3 ASP A 22 22.540 14.574 -2.713 1.00 63.32 H new ATOM 313 N GLU A 23 21.532 13.113 -5.171 1.00 75.54 N ATOM 314 CA GLU A 23 21.175 11.757 -5.575 1.00 32.45 C ATOM 315 C GLU A 23 20.304 11.753 -6.830 1.00 53.52 C ATOM 316 O GLU A 23 19.783 10.711 -7.234 1.00 4.33 O ATOM 317 CB GLU A 23 20.461 11.046 -4.430 1.00 55.34 C ATOM 318 CG GLU A 23 21.390 10.691 -3.279 1.00 3.05 C ATOM 319 CD GLU A 23 22.325 9.547 -3.624 1.00 72.14 C ATOM 320 OE1 GLU A 23 23.376 9.791 -4.256 1.00 41.22 O ATOM 321 OE2 GLU A 23 22.015 8.392 -3.264 1.00 42.25 O ATOM 0 H GLU A 23 20.745 13.676 -4.847 1.00 75.54 H new ATOM 0 HA GLU A 23 22.095 11.223 -5.814 1.00 32.45 H new ATOM 0 HB2 GLU A 23 19.658 11.683 -4.058 1.00 55.34 H new ATOM 0 HB3 GLU A 23 19.996 10.136 -4.809 1.00 55.34 H new ATOM 0 HG2 GLU A 23 21.978 11.568 -3.006 1.00 3.05 H new ATOM 0 HG3 GLU A 23 20.796 10.421 -2.406 1.00 3.05 H new ATOM 328 N ASP A 24 20.171 12.912 -7.457 1.00 13.53 N ATOM 329 CA ASP A 24 19.398 13.039 -8.692 1.00 20.35 C ATOM 330 C ASP A 24 20.338 13.439 -9.819 1.00 53.33 C ATOM 331 O ASP A 24 21.099 14.391 -9.671 1.00 63.23 O ATOM 332 CB ASP A 24 18.295 14.088 -8.528 1.00 43.45 C ATOM 333 CG ASP A 24 17.287 14.073 -9.662 1.00 72.21 C ATOM 334 OD1 ASP A 24 17.591 14.606 -10.748 1.00 52.14 O ATOM 335 OD2 ASP A 24 16.185 13.524 -9.462 1.00 61.12 O ATOM 0 H ASP A 24 20.589 13.784 -7.132 1.00 13.53 H new ATOM 0 HA ASP A 24 18.926 12.085 -8.925 1.00 20.35 H new ATOM 0 HB2 ASP A 24 17.775 13.916 -7.585 1.00 43.45 H new ATOM 0 HB3 ASP A 24 18.749 15.077 -8.466 1.00 43.45 H new ATOM 340 N GLN A 25 20.304 12.717 -10.933 1.00 74.12 N ATOM 341 CA GLN A 25 21.277 12.942 -11.994 1.00 5.14 C ATOM 342 C GLN A 25 21.004 14.258 -12.719 1.00 61.33 C ATOM 343 O GLN A 25 21.895 15.094 -12.864 1.00 2.43 O ATOM 344 CB GLN A 25 21.222 11.800 -13.012 1.00 50.45 C ATOM 345 CG GLN A 25 21.462 10.416 -12.424 1.00 62.10 C ATOM 346 CD GLN A 25 21.246 9.308 -13.443 1.00 4.10 C ATOM 347 OE1 GLN A 25 20.435 9.440 -14.361 1.00 73.34 O ATOM 348 NE2 GLN A 25 21.969 8.210 -13.294 1.00 42.45 N ATOM 0 H GLN A 25 19.624 11.981 -11.123 1.00 74.12 H new ATOM 0 HA GLN A 25 22.264 12.985 -11.534 1.00 5.14 H new ATOM 0 HB2 GLN A 25 20.246 11.810 -13.498 1.00 50.45 H new ATOM 0 HB3 GLN A 25 21.966 11.985 -13.787 1.00 50.45 H new ATOM 0 HG2 GLN A 25 22.480 10.359 -12.040 1.00 62.10 H new ATOM 0 HG3 GLN A 25 20.793 10.263 -11.577 1.00 62.10 H new ATOM 0 HE21 GLN A 25 22.631 8.136 -12.522 1.00 42.45 H new ATOM 0 HE22 GLN A 25 21.864 7.437 -13.952 1.00 42.45 H new ATOM 357 N HIS A 26 19.778 14.418 -13.200 1.00 20.14 N ATOM 358 CA HIS A 26 19.350 15.656 -13.840 1.00 44.33 C ATOM 359 C HIS A 26 17.835 15.680 -14.010 1.00 25.54 C ATOM 360 O HIS A 26 17.258 14.745 -14.569 1.00 2.13 O ATOM 361 CB HIS A 26 20.057 15.868 -15.189 1.00 1.43 C ATOM 362 CG HIS A 26 20.170 14.639 -16.044 1.00 15.33 C ATOM 363 ND1 HIS A 26 21.328 13.900 -16.136 1.00 25.13 N ATOM 364 CD2 HIS A 26 19.280 14.044 -16.872 1.00 31.34 C ATOM 365 CE1 HIS A 26 21.146 12.905 -16.983 1.00 13.51 C ATOM 366 NE2 HIS A 26 19.911 12.967 -17.446 1.00 71.22 N ATOM 0 H HIS A 26 19.056 13.699 -13.158 1.00 20.14 H new ATOM 0 HA HIS A 26 19.635 16.481 -13.188 1.00 44.33 H new ATOM 0 HB2 HIS A 26 19.519 16.634 -15.748 1.00 1.43 H new ATOM 0 HB3 HIS A 26 21.058 16.255 -15.001 1.00 1.43 H new ATOM 0 HD2 HIS A 26 18.262 14.358 -17.049 1.00 31.34 H new ATOM 0 HE1 HIS A 26 21.884 12.164 -17.253 1.00 13.51 H new ATOM 0 HE2 HIS A 26 19.495 12.322 -18.118 1.00 71.22 H new ATOM 375 N SER A 27 17.194 16.741 -13.555 1.00 70.05 N ATOM 376 CA SER A 27 15.757 16.876 -13.708 1.00 44.25 C ATOM 377 C SER A 27 15.386 18.251 -14.254 1.00 53.24 C ATOM 378 O SER A 27 15.879 19.274 -13.783 1.00 54.43 O ATOM 379 CB SER A 27 15.062 16.635 -12.369 1.00 40.02 C ATOM 380 OG SER A 27 15.263 15.302 -11.923 1.00 42.35 O ATOM 0 H SER A 27 17.645 17.521 -13.077 1.00 70.05 H new ATOM 0 HA SER A 27 15.421 16.127 -14.426 1.00 44.25 H new ATOM 0 HB2 SER A 27 15.446 17.333 -11.625 1.00 40.02 H new ATOM 0 HB3 SER A 27 13.995 16.832 -12.469 1.00 40.02 H new ATOM 0 HG SER A 27 16.199 15.183 -11.658 1.00 42.35 H new ATOM 386 N LEU A 28 14.536 18.264 -15.270 1.00 62.10 N ATOM 387 CA LEU A 28 13.978 19.507 -15.780 1.00 50.32 C ATOM 388 C LEU A 28 12.760 19.874 -14.954 1.00 31.11 C ATOM 389 O LEU A 28 11.711 19.241 -15.061 1.00 61.20 O ATOM 390 CB LEU A 28 13.605 19.388 -17.265 1.00 53.12 C ATOM 391 CG LEU A 28 14.716 19.758 -18.256 1.00 43.24 C ATOM 392 CD1 LEU A 28 15.145 21.204 -18.051 1.00 11.32 C ATOM 393 CD2 LEU A 28 15.909 18.823 -18.114 1.00 22.11 C ATOM 0 H LEU A 28 14.217 17.427 -15.758 1.00 62.10 H new ATOM 0 HA LEU A 28 14.731 20.291 -15.698 1.00 50.32 H new ATOM 0 HB2 LEU A 28 13.293 18.363 -17.462 1.00 53.12 H new ATOM 0 HB3 LEU A 28 12.743 20.026 -17.458 1.00 53.12 H new ATOM 0 HG LEU A 28 14.322 19.649 -19.266 1.00 43.24 H new ATOM 0 HD11 LEU A 28 15.934 21.454 -18.761 1.00 11.32 H new ATOM 0 HD12 LEU A 28 14.291 21.863 -18.211 1.00 11.32 H new ATOM 0 HD13 LEU A 28 15.517 21.332 -17.035 1.00 11.32 H new ATOM 0 HD21 LEU A 28 16.682 19.108 -18.828 1.00 22.11 H new ATOM 0 HD22 LEU A 28 16.307 18.892 -17.102 1.00 22.11 H new ATOM 0 HD23 LEU A 28 15.594 17.798 -18.310 1.00 22.11 H new ATOM 405 N TRP A 29 12.912 20.876 -14.111 1.00 50.34 N ATOM 406 CA TRP A 29 11.868 21.241 -13.178 1.00 20.41 C ATOM 407 C TRP A 29 11.237 22.565 -13.588 1.00 32.24 C ATOM 408 O TRP A 29 11.908 23.599 -13.621 1.00 74.10 O ATOM 409 CB TRP A 29 12.441 21.332 -11.763 1.00 43.11 C ATOM 410 CG TRP A 29 11.398 21.335 -10.686 1.00 62.11 C ATOM 411 CD1 TRP A 29 11.091 22.361 -9.843 1.00 23.24 C ATOM 412 CD2 TRP A 29 10.526 20.253 -10.339 1.00 74.32 C ATOM 413 NE1 TRP A 29 10.086 21.981 -8.987 1.00 60.32 N ATOM 414 CE2 TRP A 29 9.722 20.692 -9.272 1.00 25.15 C ATOM 415 CE3 TRP A 29 10.349 18.955 -10.825 1.00 12.00 C ATOM 416 CZ2 TRP A 29 8.756 19.879 -8.683 1.00 50.34 C ATOM 417 CZ3 TRP A 29 9.392 18.149 -10.243 1.00 73.52 C ATOM 418 CH2 TRP A 29 8.604 18.612 -9.181 1.00 70.13 C ATOM 0 H TRP A 29 13.751 21.453 -14.054 1.00 50.34 H new ATOM 0 HA TRP A 29 11.094 20.473 -13.191 1.00 20.41 H new ATOM 0 HB2 TRP A 29 13.116 20.492 -11.600 1.00 43.11 H new ATOM 0 HB3 TRP A 29 13.038 22.241 -11.680 1.00 43.11 H new ATOM 0 HD1 TRP A 29 11.568 23.330 -9.847 1.00 23.24 H new ATOM 0 HE1 TRP A 29 9.677 22.565 -8.257 1.00 60.32 H new ATOM 0 HE3 TRP A 29 10.951 18.588 -11.643 1.00 12.00 H new ATOM 0 HZ2 TRP A 29 8.149 20.235 -7.864 1.00 50.34 H new ATOM 0 HZ3 TRP A 29 9.248 17.144 -10.612 1.00 73.52 H new ATOM 0 HH2 TRP A 29 7.863 17.958 -8.747 1.00 70.13 H new ATOM 429 N PRO A 30 9.948 22.543 -13.937 1.00 72.53 N ATOM 430 CA PRO A 30 9.217 23.745 -14.327 1.00 63.44 C ATOM 431 C PRO A 30 9.099 24.736 -13.175 1.00 0.24 C ATOM 432 O PRO A 30 8.887 24.346 -12.026 1.00 73.54 O ATOM 433 CB PRO A 30 7.828 23.225 -14.725 1.00 4.34 C ATOM 434 CG PRO A 30 7.990 21.751 -14.901 1.00 3.34 C ATOM 435 CD PRO A 30 9.100 21.344 -13.977 1.00 51.14 C ATOM 0 HA PRO A 30 9.722 24.283 -15.129 1.00 63.44 H new ATOM 0 HB2 PRO A 30 7.089 23.450 -13.956 1.00 4.34 H new ATOM 0 HB3 PRO A 30 7.482 23.695 -15.646 1.00 4.34 H new ATOM 0 HG2 PRO A 30 7.067 21.225 -14.657 1.00 3.34 H new ATOM 0 HG3 PRO A 30 8.233 21.506 -15.935 1.00 3.34 H new ATOM 0 HD2 PRO A 30 8.726 21.080 -12.988 1.00 51.14 H new ATOM 0 HD3 PRO A 30 9.643 20.477 -14.354 1.00 51.14 H new ATOM 443 N VAL A 31 9.206 26.020 -13.496 1.00 5.34 N ATOM 444 CA VAL A 31 9.117 27.085 -12.502 1.00 31.12 C ATOM 445 C VAL A 31 7.645 27.343 -12.157 1.00 22.24 C ATOM 446 O VAL A 31 7.283 28.341 -11.536 1.00 72.24 O ATOM 447 CB VAL A 31 9.794 28.374 -13.034 1.00 4.33 C ATOM 448 CG1 VAL A 31 9.941 29.430 -11.950 1.00 70.22 C ATOM 449 CG2 VAL A 31 11.153 28.041 -13.626 1.00 74.32 C ATOM 0 H VAL A 31 9.356 26.352 -14.449 1.00 5.34 H new ATOM 0 HA VAL A 31 9.641 26.779 -11.596 1.00 31.12 H new ATOM 0 HB VAL A 31 9.149 28.788 -13.809 1.00 4.33 H new ATOM 0 HG11 VAL A 31 10.420 30.316 -12.367 1.00 70.22 H new ATOM 0 HG12 VAL A 31 8.956 29.697 -11.566 1.00 70.22 H new ATOM 0 HG13 VAL A 31 10.552 29.035 -11.138 1.00 70.22 H new ATOM 0 HG21 VAL A 31 11.621 28.953 -13.997 1.00 74.32 H new ATOM 0 HG22 VAL A 31 11.785 27.595 -12.858 1.00 74.32 H new ATOM 0 HG23 VAL A 31 11.029 27.336 -14.448 1.00 74.32 H new ATOM 459 N PHE A 32 6.800 26.415 -12.585 1.00 43.21 N ATOM 460 CA PHE A 32 5.379 26.444 -12.279 1.00 54.23 C ATOM 461 C PHE A 32 5.107 25.567 -11.057 1.00 21.23 C ATOM 462 O PHE A 32 4.010 25.572 -10.494 1.00 40.43 O ATOM 463 CB PHE A 32 4.595 25.941 -13.501 1.00 43.03 C ATOM 464 CG PHE A 32 3.099 26.023 -13.364 1.00 53.00 C ATOM 465 CD1 PHE A 32 2.450 27.242 -13.451 1.00 61.21 C ATOM 466 CD2 PHE A 32 2.347 24.879 -13.153 1.00 4.02 C ATOM 467 CE1 PHE A 32 1.075 27.321 -13.328 1.00 63.22 C ATOM 468 CE2 PHE A 32 0.975 24.951 -13.030 1.00 34.13 C ATOM 469 CZ PHE A 32 0.338 26.172 -13.116 1.00 44.13 C ATOM 0 H PHE A 32 7.083 25.619 -13.156 1.00 43.21 H new ATOM 0 HA PHE A 32 5.060 27.461 -12.051 1.00 54.23 H new ATOM 0 HB2 PHE A 32 4.899 26.519 -14.374 1.00 43.03 H new ATOM 0 HB3 PHE A 32 4.873 24.905 -13.693 1.00 43.03 H new ATOM 0 HD1 PHE A 32 3.024 28.142 -13.617 1.00 61.21 H new ATOM 0 HD2 PHE A 32 2.840 23.921 -13.084 1.00 4.02 H new ATOM 0 HE1 PHE A 32 0.579 28.278 -13.397 1.00 63.22 H new ATOM 0 HE2 PHE A 32 0.399 24.052 -12.866 1.00 34.13 H new ATOM 0 HZ PHE A 32 -0.736 26.229 -13.018 1.00 44.13 H new ATOM 479 N ALA A 33 6.131 24.825 -10.646 1.00 62.53 N ATOM 480 CA ALA A 33 6.015 23.899 -9.533 1.00 73.21 C ATOM 481 C ALA A 33 6.863 24.360 -8.355 1.00 14.11 C ATOM 482 O ALA A 33 7.745 25.208 -8.509 1.00 13.22 O ATOM 483 CB ALA A 33 6.416 22.499 -9.969 1.00 74.20 C ATOM 0 H ALA A 33 7.057 24.851 -11.074 1.00 62.53 H new ATOM 0 HA ALA A 33 4.974 23.877 -9.210 1.00 73.21 H new ATOM 0 HB1 ALA A 33 6.324 21.815 -9.125 1.00 74.20 H new ATOM 0 HB2 ALA A 33 5.763 22.168 -10.777 1.00 74.20 H new ATOM 0 HB3 ALA A 33 7.449 22.508 -10.318 1.00 74.20 H new ATOM 489 N ASP A 34 6.588 23.801 -7.185 1.00 73.54 N ATOM 490 CA ASP A 34 7.279 24.174 -5.953 1.00 12.01 C ATOM 491 C ASP A 34 8.724 23.703 -5.947 1.00 25.54 C ATOM 492 O ASP A 34 9.048 22.632 -6.464 1.00 43.40 O ATOM 493 CB ASP A 34 6.559 23.603 -4.731 1.00 72.34 C ATOM 494 CG ASP A 34 5.374 24.438 -4.297 1.00 35.13 C ATOM 495 OD1 ASP A 34 5.564 25.362 -3.478 1.00 44.20 O ATOM 496 OD2 ASP A 34 4.241 24.164 -4.753 1.00 51.51 O ATOM 0 H ASP A 34 5.881 23.077 -7.060 1.00 73.54 H new ATOM 0 HA ASP A 34 7.271 25.263 -5.906 1.00 12.01 H new ATOM 0 HB2 ASP A 34 6.220 22.592 -4.956 1.00 72.34 H new ATOM 0 HB3 ASP A 34 7.265 23.526 -3.904 1.00 72.34 H new ATOM 501 N ILE A 35 9.588 24.519 -5.370 1.00 23.41 N ATOM 502 CA ILE A 35 10.985 24.162 -5.191 1.00 54.34 C ATOM 503 C ILE A 35 11.309 24.108 -3.698 1.00 65.45 C ATOM 504 O ILE A 35 11.129 25.097 -2.986 1.00 14.24 O ATOM 505 CB ILE A 35 11.924 25.169 -5.898 1.00 10.14 C ATOM 506 CG1 ILE A 35 11.587 25.262 -7.391 1.00 72.42 C ATOM 507 CG2 ILE A 35 13.383 24.769 -5.705 1.00 64.03 C ATOM 508 CD1 ILE A 35 12.444 26.253 -8.155 1.00 60.24 C ATOM 0 H ILE A 35 9.343 25.443 -5.014 1.00 23.41 H new ATOM 0 HA ILE A 35 11.147 23.183 -5.642 1.00 54.34 H new ATOM 0 HB ILE A 35 11.774 26.151 -5.448 1.00 10.14 H new ATOM 0 HG12 ILE A 35 11.701 24.276 -7.841 1.00 72.42 H new ATOM 0 HG13 ILE A 35 10.540 25.543 -7.500 1.00 72.42 H new ATOM 0 HG21 ILE A 35 14.027 25.489 -6.209 1.00 64.03 H new ATOM 0 HG22 ILE A 35 13.618 24.754 -4.641 1.00 64.03 H new ATOM 0 HG23 ILE A 35 13.547 23.777 -6.127 1.00 64.03 H new ATOM 0 HD11 ILE A 35 12.145 26.261 -9.203 1.00 60.24 H new ATOM 0 HD12 ILE A 35 12.312 27.249 -7.733 1.00 60.24 H new ATOM 0 HD13 ILE A 35 13.492 25.962 -8.079 1.00 60.24 H new ATOM 520 N PRO A 36 11.754 22.942 -3.199 1.00 20.01 N ATOM 521 CA PRO A 36 12.008 22.737 -1.775 1.00 12.02 C ATOM 522 C PRO A 36 13.409 23.199 -1.332 1.00 43.41 C ATOM 523 O PRO A 36 13.676 24.401 -1.278 1.00 52.44 O ATOM 524 CB PRO A 36 11.830 21.227 -1.638 1.00 34.45 C ATOM 525 CG PRO A 36 12.332 20.679 -2.934 1.00 42.11 C ATOM 526 CD PRO A 36 12.024 21.722 -3.984 1.00 44.21 C ATOM 0 HA PRO A 36 11.347 23.323 -1.137 1.00 12.02 H new ATOM 0 HB2 PRO A 36 12.396 20.834 -0.794 1.00 34.45 H new ATOM 0 HB3 PRO A 36 10.786 20.963 -1.472 1.00 34.45 H new ATOM 0 HG2 PRO A 36 13.403 20.482 -2.884 1.00 42.11 H new ATOM 0 HG3 PRO A 36 11.845 19.733 -3.171 1.00 42.11 H new ATOM 0 HD2 PRO A 36 12.862 21.863 -4.666 1.00 44.21 H new ATOM 0 HD3 PRO A 36 11.164 21.438 -4.590 1.00 44.21 H new ATOM 534 N ALA A 37 14.307 22.259 -1.032 1.00 32.34 N ATOM 535 CA ALA A 37 15.623 22.596 -0.512 1.00 62.32 C ATOM 536 C ALA A 37 16.650 21.554 -0.935 1.00 3.44 C ATOM 537 O ALA A 37 16.286 20.474 -1.406 1.00 34.45 O ATOM 538 CB ALA A 37 15.568 22.701 1.001 1.00 21.30 C ATOM 0 H ALA A 37 14.142 21.259 -1.142 1.00 32.34 H new ATOM 0 HA ALA A 37 15.926 23.559 -0.923 1.00 62.32 H new ATOM 0 HB1 ALA A 37 16.557 22.954 1.384 1.00 21.30 H new ATOM 0 HB2 ALA A 37 14.859 23.478 1.286 1.00 21.30 H new ATOM 0 HB3 ALA A 37 15.249 21.747 1.421 1.00 21.30 H new ATOM 544 N GLY A 38 17.927 21.877 -0.762 1.00 61.52 N ATOM 545 CA GLY A 38 18.987 20.969 -1.172 1.00 71.31 C ATOM 546 C GLY A 38 19.065 20.834 -2.678 1.00 52.02 C ATOM 547 O GLY A 38 19.502 19.810 -3.203 1.00 65.45 O ATOM 0 H GLY A 38 18.249 22.751 -0.345 1.00 61.52 H new ATOM 0 HA2 GLY A 38 19.942 21.330 -0.790 1.00 71.31 H new ATOM 0 HA3 GLY A 38 18.817 19.988 -0.728 1.00 71.31 H new ATOM 551 N TRP A 39 18.641 21.875 -3.377 1.00 1.04 N ATOM 552 CA TRP A 39 18.579 21.851 -4.829 1.00 71.10 C ATOM 553 C TRP A 39 19.759 22.583 -5.448 1.00 53.52 C ATOM 554 O TRP A 39 20.373 23.445 -4.822 1.00 43.22 O ATOM 555 CB TRP A 39 17.261 22.465 -5.317 1.00 61.05 C ATOM 556 CG TRP A 39 16.895 23.749 -4.632 1.00 75.23 C ATOM 557 CD1 TRP A 39 16.047 23.888 -3.576 1.00 40.04 C ATOM 558 CD2 TRP A 39 17.356 25.068 -4.952 1.00 15.24 C ATOM 559 NE1 TRP A 39 15.950 25.207 -3.214 1.00 74.21 N ATOM 560 CE2 TRP A 39 16.744 25.954 -4.045 1.00 52.15 C ATOM 561 CE3 TRP A 39 18.227 25.587 -5.916 1.00 41.43 C ATOM 562 CZ2 TRP A 39 16.976 27.328 -4.074 1.00 4.21 C ATOM 563 CZ3 TRP A 39 18.455 26.949 -5.945 1.00 21.35 C ATOM 564 CH2 TRP A 39 17.834 27.805 -5.028 1.00 62.42 C ATOM 0 H TRP A 39 18.333 22.753 -2.958 1.00 1.04 H new ATOM 0 HA TRP A 39 18.626 20.809 -5.146 1.00 71.10 H new ATOM 0 HB2 TRP A 39 17.331 22.645 -6.390 1.00 61.05 H new ATOM 0 HB3 TRP A 39 16.458 21.743 -5.166 1.00 61.05 H new ATOM 0 HD1 TRP A 39 15.525 23.075 -3.092 1.00 40.04 H new ATOM 0 HE1 TRP A 39 15.380 25.573 -2.451 1.00 74.21 H new ATOM 0 HE3 TRP A 39 18.713 24.934 -6.626 1.00 41.43 H new ATOM 0 HZ2 TRP A 39 16.497 27.992 -3.370 1.00 4.21 H new ATOM 0 HZ3 TRP A 39 19.123 27.360 -6.687 1.00 21.35 H new ATOM 0 HH2 TRP A 39 18.036 28.865 -5.074 1.00 62.42 H new ATOM 575 N ARG A 40 20.099 22.198 -6.666 1.00 15.10 N ATOM 576 CA ARG A 40 21.127 22.881 -7.435 1.00 61.03 C ATOM 577 C ARG A 40 20.569 23.255 -8.802 1.00 54.24 C ATOM 578 O ARG A 40 20.231 22.376 -9.595 1.00 13.25 O ATOM 579 CB ARG A 40 22.376 21.995 -7.616 1.00 5.24 C ATOM 580 CG ARG A 40 23.223 21.807 -6.359 1.00 52.34 C ATOM 581 CD ARG A 40 22.539 20.920 -5.328 1.00 31.33 C ATOM 582 NE ARG A 40 23.353 20.737 -4.129 1.00 23.32 N ATOM 583 CZ ARG A 40 23.229 21.471 -3.022 1.00 30.25 C ATOM 584 NH1 ARG A 40 22.346 22.468 -2.974 1.00 71.53 N ATOM 585 NH2 ARG A 40 23.990 21.210 -1.967 1.00 14.54 N ATOM 0 H ARG A 40 19.673 21.407 -7.149 1.00 15.10 H new ATOM 0 HA ARG A 40 21.422 23.777 -6.890 1.00 61.03 H new ATOM 0 HB2 ARG A 40 22.059 21.015 -7.972 1.00 5.24 H new ATOM 0 HB3 ARG A 40 23.002 22.430 -8.395 1.00 5.24 H new ATOM 0 HG2 ARG A 40 24.183 21.368 -6.633 1.00 52.34 H new ATOM 0 HG3 ARG A 40 23.432 22.781 -5.916 1.00 52.34 H new ATOM 0 HD2 ARG A 40 21.581 21.360 -5.051 1.00 31.33 H new ATOM 0 HD3 ARG A 40 22.326 19.948 -5.772 1.00 31.33 H new ATOM 0 HE ARG A 40 24.060 20.002 -4.139 1.00 23.32 H new ATOM 0 HH11 ARG A 40 21.762 22.672 -3.785 1.00 71.53 H new ATOM 0 HH12 ARG A 40 22.254 23.027 -2.126 1.00 71.53 H new ATOM 0 HH21 ARG A 40 24.668 20.449 -2.003 1.00 14.54 H new ATOM 0 HH22 ARG A 40 23.897 21.770 -1.120 1.00 14.54 H new ATOM 599 N VAL A 41 20.442 24.543 -9.068 1.00 40.24 N ATOM 600 CA VAL A 41 19.987 24.995 -10.373 1.00 71.24 C ATOM 601 C VAL A 41 21.191 25.263 -11.265 1.00 31.12 C ATOM 602 O VAL A 41 21.923 26.231 -11.065 1.00 65.41 O ATOM 603 CB VAL A 41 19.107 26.262 -10.278 1.00 61.45 C ATOM 604 CG1 VAL A 41 18.733 26.767 -11.665 1.00 25.00 C ATOM 605 CG2 VAL A 41 17.854 25.980 -9.461 1.00 14.32 C ATOM 0 H VAL A 41 20.645 25.290 -8.404 1.00 40.24 H new ATOM 0 HA VAL A 41 19.371 24.205 -10.803 1.00 71.24 H new ATOM 0 HB VAL A 41 19.683 27.039 -9.775 1.00 61.45 H new ATOM 0 HG11 VAL A 41 18.114 27.659 -11.573 1.00 25.00 H new ATOM 0 HG12 VAL A 41 19.639 27.010 -12.220 1.00 25.00 H new ATOM 0 HG13 VAL A 41 18.178 25.994 -12.196 1.00 25.00 H new ATOM 0 HG21 VAL A 41 17.246 26.883 -9.404 1.00 14.32 H new ATOM 0 HG22 VAL A 41 17.280 25.185 -9.938 1.00 14.32 H new ATOM 0 HG23 VAL A 41 18.138 25.670 -8.455 1.00 14.32 H new ATOM 615 N VAL A 42 21.406 24.381 -12.227 1.00 40.32 N ATOM 616 CA VAL A 42 22.574 24.468 -13.092 1.00 63.24 C ATOM 617 C VAL A 42 22.319 25.420 -14.257 1.00 50.15 C ATOM 618 O VAL A 42 23.236 26.064 -14.765 1.00 15.22 O ATOM 619 CB VAL A 42 22.977 23.077 -13.635 1.00 42.14 C ATOM 620 CG1 VAL A 42 24.257 23.159 -14.458 1.00 23.52 C ATOM 621 CG2 VAL A 42 23.141 22.085 -12.490 1.00 52.31 C ATOM 0 H VAL A 42 20.788 23.596 -12.430 1.00 40.32 H new ATOM 0 HA VAL A 42 23.395 24.856 -12.489 1.00 63.24 H new ATOM 0 HB VAL A 42 22.179 22.726 -14.289 1.00 42.14 H new ATOM 0 HG11 VAL A 42 24.517 22.167 -14.827 1.00 23.52 H new ATOM 0 HG12 VAL A 42 24.104 23.832 -15.302 1.00 23.52 H new ATOM 0 HG13 VAL A 42 25.067 23.537 -13.834 1.00 23.52 H new ATOM 0 HG21 VAL A 42 23.425 21.111 -12.890 1.00 52.31 H new ATOM 0 HG22 VAL A 42 23.917 22.438 -11.811 1.00 52.31 H new ATOM 0 HG23 VAL A 42 22.199 21.995 -11.949 1.00 52.31 H new ATOM 631 N HIS A 43 21.065 25.526 -14.664 1.00 32.14 N ATOM 632 CA HIS A 43 20.707 26.343 -15.810 1.00 42.41 C ATOM 633 C HIS A 43 19.318 26.940 -15.619 1.00 1.25 C ATOM 634 O HIS A 43 18.435 26.297 -15.049 1.00 24.14 O ATOM 635 CB HIS A 43 20.761 25.492 -17.082 1.00 4.00 C ATOM 636 CG HIS A 43 20.562 26.257 -18.348 1.00 10.14 C ATOM 637 ND1 HIS A 43 19.370 26.268 -19.036 1.00 72.12 N ATOM 638 CD2 HIS A 43 21.418 27.019 -19.070 1.00 61.44 C ATOM 639 CE1 HIS A 43 19.501 26.996 -20.124 1.00 25.41 C ATOM 640 NE2 HIS A 43 20.732 27.464 -20.168 1.00 3.32 N ATOM 0 H HIS A 43 20.278 25.056 -14.217 1.00 32.14 H new ATOM 0 HA HIS A 43 21.418 27.164 -15.905 1.00 42.41 H new ATOM 0 HB2 HIS A 43 21.726 24.987 -17.125 1.00 4.00 H new ATOM 0 HB3 HIS A 43 19.998 24.716 -17.017 1.00 4.00 H new ATOM 0 HD2 HIS A 43 22.448 27.235 -18.826 1.00 61.44 H new ATOM 0 HE1 HIS A 43 18.730 27.179 -20.857 1.00 25.41 H new ATOM 0 HE2 HIS A 43 21.112 28.062 -20.902 1.00 3.32 H new ATOM 649 N GLY A 44 19.136 28.166 -16.094 1.00 64.42 N ATOM 650 CA GLY A 44 17.869 28.852 -15.930 1.00 40.31 C ATOM 651 C GLY A 44 16.868 28.502 -17.010 1.00 11.43 C ATOM 652 O GLY A 44 16.991 27.469 -17.672 1.00 14.32 O ATOM 0 H GLY A 44 19.848 28.700 -16.593 1.00 64.42 H new ATOM 0 HA2 GLY A 44 17.449 28.601 -14.956 1.00 40.31 H new ATOM 0 HA3 GLY A 44 18.041 29.928 -15.935 1.00 40.31 H new ATOM 656 N GLU A 45 15.886 29.375 -17.198 1.00 41.53 N ATOM 657 CA GLU A 45 14.818 29.117 -18.149 1.00 24.13 C ATOM 658 C GLU A 45 15.250 29.440 -19.580 1.00 75.21 C ATOM 659 O GLU A 45 15.277 30.589 -20.013 1.00 73.32 O ATOM 660 CB GLU A 45 13.523 29.856 -17.748 1.00 41.13 C ATOM 661 CG GLU A 45 13.687 31.336 -17.405 1.00 22.15 C ATOM 662 CD GLU A 45 13.358 32.262 -18.563 1.00 40.03 C ATOM 663 OE1 GLU A 45 12.186 32.277 -19.004 1.00 54.25 O ATOM 664 OE2 GLU A 45 14.271 32.975 -19.036 1.00 61.15 O ATOM 0 H GLU A 45 15.809 30.265 -16.705 1.00 41.53 H new ATOM 0 HA GLU A 45 14.598 28.050 -18.122 1.00 24.13 H new ATOM 0 HB2 GLU A 45 12.808 29.768 -18.566 1.00 41.13 H new ATOM 0 HB3 GLU A 45 13.088 29.348 -16.887 1.00 41.13 H new ATOM 0 HG2 GLU A 45 13.043 31.579 -16.560 1.00 22.15 H new ATOM 0 HG3 GLU A 45 14.713 31.516 -17.085 1.00 22.15 H new ATOM 671 N ALA A 46 15.636 28.400 -20.287 1.00 42.34 N ATOM 672 CA ALA A 46 15.952 28.483 -21.706 1.00 4.43 C ATOM 673 C ALA A 46 15.542 27.180 -22.359 1.00 3.13 C ATOM 674 O ALA A 46 15.307 26.211 -21.642 1.00 72.05 O ATOM 675 CB ALA A 46 17.428 28.771 -21.929 1.00 74.23 C ATOM 0 H ALA A 46 15.742 27.464 -19.895 1.00 42.34 H new ATOM 0 HA ALA A 46 15.403 29.310 -22.156 1.00 4.43 H new ATOM 0 HB1 ALA A 46 17.630 28.827 -22.999 1.00 74.23 H new ATOM 0 HB2 ALA A 46 17.688 29.720 -21.461 1.00 74.23 H new ATOM 0 HB3 ALA A 46 18.025 27.973 -21.488 1.00 74.23 H new ATOM 681 N SER A 47 15.486 27.163 -23.696 1.00 52.43 N ATOM 682 CA SER A 47 14.885 26.064 -24.466 1.00 21.43 C ATOM 683 C SER A 47 15.023 24.699 -23.783 1.00 15.04 C ATOM 684 O SER A 47 16.124 24.264 -23.424 1.00 74.34 O ATOM 685 CB SER A 47 15.515 26.022 -25.855 1.00 75.44 C ATOM 686 OG SER A 47 15.424 27.290 -26.482 1.00 33.40 O ATOM 0 H SER A 47 15.857 27.914 -24.278 1.00 52.43 H new ATOM 0 HA SER A 47 13.816 26.264 -24.535 1.00 21.43 H new ATOM 0 HB2 SER A 47 16.560 25.723 -25.777 1.00 75.44 H new ATOM 0 HB3 SER A 47 15.013 25.271 -26.466 1.00 75.44 H new ATOM 0 HG SER A 47 15.834 27.246 -27.371 1.00 33.40 H new ATOM 692 N ARG A 48 13.889 24.023 -23.649 1.00 24.40 N ATOM 693 CA ARG A 48 13.794 22.775 -22.900 1.00 63.42 C ATOM 694 C ARG A 48 14.661 21.697 -23.547 1.00 12.32 C ATOM 695 O ARG A 48 15.321 20.921 -22.855 1.00 12.12 O ATOM 696 CB ARG A 48 12.317 22.349 -22.833 1.00 31.24 C ATOM 697 CG ARG A 48 11.998 21.238 -21.839 1.00 63.13 C ATOM 698 CD ARG A 48 12.296 19.856 -22.399 1.00 15.30 C ATOM 699 NE ARG A 48 11.623 19.615 -23.678 1.00 30.40 N ATOM 700 CZ ARG A 48 11.247 18.406 -24.102 1.00 64.14 C ATOM 701 NH1 ARG A 48 11.312 17.359 -23.287 1.00 2.12 N ATOM 702 NH2 ARG A 48 10.757 18.253 -25.327 1.00 42.11 N ATOM 0 H ARG A 48 13.005 24.326 -24.058 1.00 24.40 H new ATOM 0 HA ARG A 48 14.165 22.919 -21.885 1.00 63.42 H new ATOM 0 HB2 ARG A 48 11.716 23.223 -22.580 1.00 31.24 H new ATOM 0 HB3 ARG A 48 12.005 22.025 -23.826 1.00 31.24 H new ATOM 0 HG2 ARG A 48 12.578 21.391 -20.929 1.00 63.13 H new ATOM 0 HG3 ARG A 48 10.946 21.295 -21.560 1.00 63.13 H new ATOM 0 HD2 ARG A 48 13.372 19.745 -22.531 1.00 15.30 H new ATOM 0 HD3 ARG A 48 11.983 19.100 -21.679 1.00 15.30 H new ATOM 0 HE ARG A 48 11.431 20.417 -24.279 1.00 30.40 H new ATOM 0 HH11 ARG A 48 11.650 17.476 -22.332 1.00 2.12 H new ATOM 0 HH12 ARG A 48 11.023 16.438 -23.616 1.00 2.12 H new ATOM 0 HH21 ARG A 48 10.668 19.060 -25.945 1.00 42.11 H new ATOM 0 HH22 ARG A 48 10.470 17.329 -25.650 1.00 42.11 H new ATOM 716 N ALA A 49 14.674 21.671 -24.874 1.00 71.21 N ATOM 717 CA ALA A 49 15.475 20.702 -25.615 1.00 23.33 C ATOM 718 C ALA A 49 16.970 20.946 -25.406 1.00 12.42 C ATOM 719 O ALA A 49 17.752 20.003 -25.287 1.00 4.23 O ATOM 720 CB ALA A 49 15.129 20.754 -27.095 1.00 24.31 C ATOM 0 H ALA A 49 14.138 22.311 -25.461 1.00 71.21 H new ATOM 0 HA ALA A 49 15.242 19.708 -25.234 1.00 23.33 H new ATOM 0 HB1 ALA A 49 15.734 20.026 -27.636 1.00 24.31 H new ATOM 0 HB2 ALA A 49 14.073 20.520 -27.230 1.00 24.31 H new ATOM 0 HB3 ALA A 49 15.332 21.753 -27.481 1.00 24.31 H new ATOM 726 N ALA A 50 17.356 22.216 -25.343 1.00 1.42 N ATOM 727 CA ALA A 50 18.749 22.581 -25.114 1.00 72.11 C ATOM 728 C ALA A 50 19.173 22.166 -23.712 1.00 72.52 C ATOM 729 O ALA A 50 20.287 21.681 -23.498 1.00 11.34 O ATOM 730 CB ALA A 50 18.948 24.077 -25.317 1.00 20.13 C ATOM 0 H ALA A 50 16.724 23.010 -25.447 1.00 1.42 H new ATOM 0 HA ALA A 50 19.374 22.055 -25.836 1.00 72.11 H new ATOM 0 HB1 ALA A 50 19.993 24.332 -25.142 1.00 20.13 H new ATOM 0 HB2 ALA A 50 18.675 24.345 -26.338 1.00 20.13 H new ATOM 0 HB3 ALA A 50 18.318 24.626 -24.617 1.00 20.13 H new ATOM 736 N CYS A 51 18.266 22.346 -22.761 1.00 34.11 N ATOM 737 CA CYS A 51 18.498 21.901 -21.398 1.00 53.12 C ATOM 738 C CYS A 51 18.657 20.383 -21.355 1.00 24.13 C ATOM 739 O CYS A 51 19.536 19.869 -20.667 1.00 22.31 O ATOM 740 CB CYS A 51 17.353 22.352 -20.493 1.00 2.53 C ATOM 741 SG CYS A 51 17.200 24.149 -20.345 1.00 11.35 S ATOM 0 H CYS A 51 17.364 22.797 -22.911 1.00 34.11 H new ATOM 0 HA CYS A 51 19.421 22.351 -21.034 1.00 53.12 H new ATOM 0 HB2 CYS A 51 16.417 21.948 -20.879 1.00 2.53 H new ATOM 0 HB3 CYS A 51 17.498 21.927 -19.500 1.00 2.53 H new ATOM 0 HG CYS A 51 18.253 24.627 -19.752 1.00 11.35 H new ATOM 747 N LEU A 52 17.810 19.672 -22.105 1.00 14.24 N ATOM 748 CA LEU A 52 17.928 18.218 -22.233 1.00 14.11 C ATOM 749 C LEU A 52 19.316 17.829 -22.719 1.00 14.41 C ATOM 750 O LEU A 52 19.952 16.942 -22.155 1.00 13.15 O ATOM 751 CB LEU A 52 16.886 17.663 -23.204 1.00 54.05 C ATOM 752 CG LEU A 52 15.434 17.776 -22.757 1.00 21.41 C ATOM 753 CD1 LEU A 52 14.524 17.182 -23.816 1.00 71.20 C ATOM 754 CD2 LEU A 52 15.228 17.076 -21.424 1.00 63.03 C ATOM 0 H LEU A 52 17.037 20.079 -22.631 1.00 14.24 H new ATOM 0 HA LEU A 52 17.757 17.792 -21.245 1.00 14.11 H new ATOM 0 HB2 LEU A 52 16.994 18.180 -24.157 1.00 54.05 H new ATOM 0 HB3 LEU A 52 17.110 16.612 -23.385 1.00 54.05 H new ATOM 0 HG LEU A 52 15.186 18.830 -22.627 1.00 21.41 H new ATOM 0 HD11 LEU A 52 13.486 17.265 -23.492 1.00 71.20 H new ATOM 0 HD12 LEU A 52 14.656 17.722 -24.754 1.00 71.20 H new ATOM 0 HD13 LEU A 52 14.775 16.132 -23.964 1.00 71.20 H new ATOM 0 HD21 LEU A 52 14.185 17.168 -21.122 1.00 63.03 H new ATOM 0 HD22 LEU A 52 15.485 16.021 -21.523 1.00 63.03 H new ATOM 0 HD23 LEU A 52 15.866 17.536 -20.669 1.00 63.03 H new ATOM 766 N ASP A 53 19.780 18.501 -23.765 1.00 61.53 N ATOM 767 CA ASP A 53 21.107 18.245 -24.312 1.00 54.43 C ATOM 768 C ASP A 53 22.164 18.394 -23.223 1.00 63.52 C ATOM 769 O ASP A 53 22.963 17.481 -22.978 1.00 62.44 O ATOM 770 CB ASP A 53 21.397 19.211 -25.464 1.00 40.30 C ATOM 771 CG ASP A 53 22.774 19.010 -26.064 1.00 11.42 C ATOM 772 OD1 ASP A 53 22.907 18.169 -26.977 1.00 1.13 O ATOM 773 OD2 ASP A 53 23.728 19.690 -25.629 1.00 63.05 O ATOM 0 H ASP A 53 19.257 19.228 -24.252 1.00 61.53 H new ATOM 0 HA ASP A 53 21.138 17.224 -24.692 1.00 54.43 H new ATOM 0 HB2 ASP A 53 20.644 19.080 -26.241 1.00 40.30 H new ATOM 0 HB3 ASP A 53 21.308 20.236 -25.104 1.00 40.30 H new ATOM 778 N TYR A 54 22.121 19.534 -22.546 1.00 62.01 N ATOM 779 CA TYR A 54 23.081 19.852 -21.499 1.00 33.33 C ATOM 780 C TYR A 54 23.064 18.801 -20.388 1.00 54.33 C ATOM 781 O TYR A 54 24.108 18.272 -20.016 1.00 52.04 O ATOM 782 CB TYR A 54 22.777 21.236 -20.921 1.00 21.41 C ATOM 783 CG TYR A 54 23.920 21.844 -20.137 1.00 53.34 C ATOM 784 CD1 TYR A 54 25.019 22.386 -20.794 1.00 31.52 C ATOM 785 CD2 TYR A 54 23.895 21.894 -18.749 1.00 62.33 C ATOM 786 CE1 TYR A 54 26.062 22.959 -20.089 1.00 53.11 C ATOM 787 CE2 TYR A 54 24.936 22.463 -18.038 1.00 32.53 C ATOM 788 CZ TYR A 54 26.016 22.994 -18.713 1.00 2.30 C ATOM 789 OH TYR A 54 27.055 23.565 -18.010 1.00 25.04 O ATOM 0 H TYR A 54 21.423 20.260 -22.706 1.00 62.01 H new ATOM 0 HA TYR A 54 24.078 19.853 -21.940 1.00 33.33 H new ATOM 0 HB2 TYR A 54 22.512 21.908 -21.737 1.00 21.41 H new ATOM 0 HB3 TYR A 54 21.904 21.163 -20.272 1.00 21.41 H new ATOM 0 HD1 TYR A 54 25.059 22.359 -21.873 1.00 31.52 H new ATOM 0 HD2 TYR A 54 23.050 21.482 -18.217 1.00 62.33 H new ATOM 0 HE1 TYR A 54 26.908 23.377 -20.615 1.00 53.11 H new ATOM 0 HE2 TYR A 54 24.904 22.492 -16.959 1.00 32.53 H new ATOM 0 HH TYR A 54 26.869 23.511 -17.049 1.00 25.04 H new ATOM 799 N VAL A 55 21.877 18.475 -19.879 1.00 13.21 N ATOM 800 CA VAL A 55 21.760 17.560 -18.742 1.00 73.54 C ATOM 801 C VAL A 55 22.185 16.138 -19.107 1.00 63.52 C ATOM 802 O VAL A 55 22.790 15.438 -18.297 1.00 1.14 O ATOM 803 CB VAL A 55 20.326 17.533 -18.154 1.00 74.32 C ATOM 804 CG1 VAL A 55 19.892 18.923 -17.738 1.00 11.35 C ATOM 805 CG2 VAL A 55 19.322 16.939 -19.131 1.00 3.21 C ATOM 0 H VAL A 55 20.987 18.827 -20.232 1.00 13.21 H new ATOM 0 HA VAL A 55 22.438 17.946 -17.981 1.00 73.54 H new ATOM 0 HB VAL A 55 20.351 16.891 -17.274 1.00 74.32 H new ATOM 0 HG11 VAL A 55 18.883 18.882 -17.328 1.00 11.35 H new ATOM 0 HG12 VAL A 55 20.576 19.306 -16.981 1.00 11.35 H new ATOM 0 HG13 VAL A 55 19.904 19.583 -18.605 1.00 11.35 H new ATOM 0 HG21 VAL A 55 18.330 16.939 -18.679 1.00 3.21 H new ATOM 0 HG22 VAL A 55 19.305 17.536 -20.043 1.00 3.21 H new ATOM 0 HG23 VAL A 55 19.611 15.916 -19.372 1.00 3.21 H new ATOM 815 N GLU A 56 21.874 15.721 -20.323 1.00 10.40 N ATOM 816 CA GLU A 56 22.196 14.375 -20.781 1.00 61.52 C ATOM 817 C GLU A 56 23.692 14.215 -21.020 1.00 34.54 C ATOM 818 O GLU A 56 24.274 13.180 -20.702 1.00 73.34 O ATOM 819 CB GLU A 56 21.411 14.059 -22.049 1.00 74.35 C ATOM 820 CG GLU A 56 19.923 13.902 -21.799 1.00 71.41 C ATOM 821 CD GLU A 56 19.568 12.543 -21.237 1.00 3.14 C ATOM 822 OE1 GLU A 56 19.646 12.359 -20.005 1.00 13.14 O ATOM 823 OE2 GLU A 56 19.203 11.649 -22.029 1.00 12.33 O ATOM 0 H GLU A 56 21.396 16.297 -21.016 1.00 10.40 H new ATOM 0 HA GLU A 56 21.911 13.669 -20.001 1.00 61.52 H new ATOM 0 HB2 GLU A 56 21.570 14.855 -22.776 1.00 74.35 H new ATOM 0 HB3 GLU A 56 21.799 13.141 -22.491 1.00 74.35 H new ATOM 0 HG2 GLU A 56 19.591 14.676 -21.106 1.00 71.41 H new ATOM 0 HG3 GLU A 56 19.383 14.057 -22.733 1.00 71.41 H new ATOM 830 N LYS A 57 24.312 15.246 -21.576 1.00 70.11 N ATOM 831 CA LYS A 57 25.750 15.220 -21.826 1.00 60.22 C ATOM 832 C LYS A 57 26.543 15.484 -20.546 1.00 10.13 C ATOM 833 O LYS A 57 27.745 15.227 -20.484 1.00 34.22 O ATOM 834 CB LYS A 57 26.105 16.235 -22.909 1.00 64.25 C ATOM 835 CG LYS A 57 25.704 15.774 -24.303 1.00 75.40 C ATOM 836 CD LYS A 57 25.398 16.941 -25.225 1.00 11.15 C ATOM 837 CE LYS A 57 26.573 17.895 -25.361 1.00 5.52 C ATOM 838 NZ LYS A 57 26.224 19.063 -26.210 1.00 33.13 N ATOM 0 H LYS A 57 23.847 16.108 -21.862 1.00 70.11 H new ATOM 0 HA LYS A 57 26.022 14.224 -22.174 1.00 60.22 H new ATOM 0 HB2 LYS A 57 25.612 17.182 -22.689 1.00 64.25 H new ATOM 0 HB3 LYS A 57 27.179 16.422 -22.888 1.00 64.25 H new ATOM 0 HG2 LYS A 57 26.508 15.175 -24.731 1.00 75.40 H new ATOM 0 HG3 LYS A 57 24.828 15.129 -24.233 1.00 75.40 H new ATOM 0 HD2 LYS A 57 25.126 16.561 -26.210 1.00 11.15 H new ATOM 0 HD3 LYS A 57 24.534 17.485 -24.844 1.00 11.15 H new ATOM 0 HE2 LYS A 57 26.881 18.239 -24.374 1.00 5.52 H new ATOM 0 HE3 LYS A 57 27.423 17.369 -25.795 1.00 5.52 H new ATOM 0 HZ1 LYS A 57 26.987 19.768 -26.161 1.00 33.13 H new ATOM 0 HZ2 LYS A 57 26.102 18.752 -27.195 1.00 33.13 H new ATOM 0 HZ3 LYS A 57 25.338 19.488 -25.869 1.00 33.13 H new ATOM 852 N ASN A 58 25.863 15.992 -19.528 1.00 5.40 N ATOM 853 CA ASN A 58 26.491 16.276 -18.239 1.00 62.23 C ATOM 854 C ASN A 58 26.277 15.135 -17.249 1.00 64.30 C ATOM 855 O ASN A 58 26.475 15.308 -16.050 1.00 2.42 O ATOM 856 CB ASN A 58 25.967 17.587 -17.642 1.00 60.13 C ATOM 857 CG ASN A 58 26.688 18.813 -18.178 1.00 21.12 C ATOM 858 OD1 ASN A 58 26.817 19.821 -17.487 1.00 45.43 O ATOM 859 ND2 ASN A 58 27.166 18.740 -19.413 1.00 73.12 N ATOM 0 H ASN A 58 24.869 16.218 -19.568 1.00 5.40 H new ATOM 0 HA ASN A 58 27.561 16.378 -18.423 1.00 62.23 H new ATOM 0 HB2 ASN A 58 24.902 17.677 -17.855 1.00 60.13 H new ATOM 0 HB3 ASN A 58 26.074 17.554 -16.558 1.00 60.13 H new ATOM 0 HD21 ASN A 58 27.659 19.536 -19.817 1.00 73.12 H new ATOM 0 HD22 ASN A 58 27.041 17.887 -19.959 1.00 73.12 H new ATOM 866 N TRP A 59 25.861 13.972 -17.749 1.00 74.44 N ATOM 867 CA TRP A 59 25.603 12.820 -16.886 1.00 50.11 C ATOM 868 C TRP A 59 26.890 12.354 -16.193 1.00 20.21 C ATOM 869 O TRP A 59 26.843 11.672 -15.169 1.00 31.04 O ATOM 870 CB TRP A 59 24.964 11.672 -17.691 1.00 2.31 C ATOM 871 CG TRP A 59 25.937 10.687 -18.277 1.00 72.22 C ATOM 872 CD1 TRP A 59 26.146 9.406 -17.852 1.00 32.41 C ATOM 873 CD2 TRP A 59 26.819 10.887 -19.392 1.00 42.01 C ATOM 874 NE1 TRP A 59 27.100 8.799 -18.630 1.00 45.01 N ATOM 875 CE2 TRP A 59 27.531 9.685 -19.581 1.00 71.53 C ATOM 876 CE3 TRP A 59 27.080 11.960 -20.246 1.00 43.25 C ATOM 877 CZ2 TRP A 59 28.479 9.531 -20.586 1.00 24.34 C ATOM 878 CZ3 TRP A 59 28.023 11.805 -21.245 1.00 73.44 C ATOM 879 CH2 TRP A 59 28.712 10.598 -21.408 1.00 44.54 C ATOM 0 H TRP A 59 25.696 13.803 -18.741 1.00 74.44 H new ATOM 0 HA TRP A 59 24.899 13.126 -16.112 1.00 50.11 H new ATOM 0 HB2 TRP A 59 24.273 11.134 -17.042 1.00 2.31 H new ATOM 0 HB3 TRP A 59 24.373 12.101 -18.500 1.00 2.31 H new ATOM 0 HD1 TRP A 59 25.635 8.938 -17.024 1.00 32.41 H new ATOM 0 HE1 TRP A 59 27.434 7.842 -18.518 1.00 45.01 H new ATOM 0 HE3 TRP A 59 26.554 12.896 -20.128 1.00 43.25 H new ATOM 0 HZ2 TRP A 59 29.013 8.601 -20.713 1.00 24.34 H new ATOM 0 HZ3 TRP A 59 28.231 12.629 -21.911 1.00 73.44 H new ATOM 0 HH2 TRP A 59 29.442 10.508 -22.199 1.00 44.54 H new ATOM 890 N THR A 60 28.031 12.730 -16.763 1.00 25.34 N ATOM 891 CA THR A 60 29.326 12.431 -16.173 1.00 53.12 C ATOM 892 C THR A 60 29.516 13.229 -14.886 1.00 52.32 C ATOM 893 O THR A 60 29.348 14.448 -14.878 1.00 3.14 O ATOM 894 CB THR A 60 30.463 12.759 -17.162 1.00 72.14 C ATOM 895 OG1 THR A 60 30.239 12.060 -18.396 1.00 12.01 O ATOM 896 CG2 THR A 60 31.818 12.366 -16.591 1.00 24.55 C ATOM 0 H THR A 60 28.081 13.247 -17.641 1.00 25.34 H new ATOM 0 HA THR A 60 29.359 11.366 -15.942 1.00 53.12 H new ATOM 0 HB THR A 60 30.466 13.835 -17.338 1.00 72.14 H new ATOM 0 HG1 THR A 60 30.960 12.269 -19.026 1.00 12.01 H new ATOM 0 HG21 THR A 60 32.600 12.609 -17.310 1.00 24.55 H new ATOM 0 HG22 THR A 60 31.995 12.912 -15.664 1.00 24.55 H new ATOM 0 HG23 THR A 60 31.831 11.295 -16.389 1.00 24.55 H new ATOM 904 N ASP A 61 29.860 12.536 -13.805 1.00 33.13 N ATOM 905 CA ASP A 61 29.975 13.166 -12.493 1.00 24.12 C ATOM 906 C ASP A 61 31.199 14.079 -12.407 1.00 25.15 C ATOM 907 O ASP A 61 32.260 13.695 -11.919 1.00 35.34 O ATOM 908 CB ASP A 61 29.998 12.109 -11.372 1.00 2.25 C ATOM 909 CG ASP A 61 31.151 11.123 -11.474 1.00 11.43 C ATOM 910 OD1 ASP A 61 31.122 10.251 -12.372 1.00 12.31 O ATOM 911 OD2 ASP A 61 32.083 11.201 -10.643 1.00 4.15 O ATOM 0 H ASP A 61 30.064 11.537 -13.811 1.00 33.13 H new ATOM 0 HA ASP A 61 29.092 13.790 -12.355 1.00 24.12 H new ATOM 0 HB2 ASP A 61 30.052 12.617 -10.409 1.00 2.25 H new ATOM 0 HB3 ASP A 61 29.059 11.556 -11.389 1.00 2.25 H new ATOM 916 N LEU A 62 31.046 15.290 -12.910 1.00 21.55 N ATOM 917 CA LEU A 62 32.091 16.292 -12.824 1.00 3.00 C ATOM 918 C LEU A 62 31.628 17.419 -11.913 1.00 51.34 C ATOM 919 O LEU A 62 30.735 18.189 -12.270 1.00 51.51 O ATOM 920 CB LEU A 62 32.436 16.820 -14.229 1.00 71.54 C ATOM 921 CG LEU A 62 33.691 17.707 -14.347 1.00 32.22 C ATOM 922 CD1 LEU A 62 33.425 19.132 -13.878 1.00 31.24 C ATOM 923 CD2 LEU A 62 34.845 17.100 -13.565 1.00 22.21 C ATOM 0 H LEU A 62 30.201 15.605 -13.386 1.00 21.55 H new ATOM 0 HA LEU A 62 32.994 15.849 -12.404 1.00 3.00 H new ATOM 0 HB2 LEU A 62 32.561 15.964 -14.893 1.00 71.54 H new ATOM 0 HB3 LEU A 62 31.582 17.388 -14.598 1.00 71.54 H new ATOM 0 HG LEU A 62 33.961 17.753 -15.402 1.00 32.22 H new ATOM 0 HD11 LEU A 62 34.335 19.724 -13.978 1.00 31.24 H new ATOM 0 HD12 LEU A 62 32.636 19.574 -14.487 1.00 31.24 H new ATOM 0 HD13 LEU A 62 33.113 19.119 -12.834 1.00 31.24 H new ATOM 0 HD21 LEU A 62 35.724 17.738 -13.659 1.00 22.21 H new ATOM 0 HD22 LEU A 62 34.568 17.016 -12.514 1.00 22.21 H new ATOM 0 HD23 LEU A 62 35.072 16.110 -13.961 1.00 22.21 H new ATOM 935 N ARG A 63 32.209 17.490 -10.724 1.00 42.45 N ATOM 936 CA ARG A 63 31.863 18.532 -9.773 1.00 32.00 C ATOM 937 C ARG A 63 32.598 19.825 -10.112 1.00 0.32 C ATOM 938 O ARG A 63 33.828 19.889 -10.065 1.00 73.24 O ATOM 939 CB ARG A 63 32.180 18.094 -8.337 1.00 41.05 C ATOM 940 CG ARG A 63 33.615 17.637 -8.129 1.00 42.42 C ATOM 941 CD ARG A 63 33.918 17.383 -6.661 1.00 14.22 C ATOM 942 NE ARG A 63 33.112 16.298 -6.098 1.00 25.55 N ATOM 943 CZ ARG A 63 33.394 15.693 -4.939 1.00 25.12 C ATOM 944 NH1 ARG A 63 34.461 16.071 -4.238 1.00 1.23 N ATOM 945 NH2 ARG A 63 32.617 14.714 -4.486 1.00 53.21 N ATOM 0 H ARG A 63 32.922 16.838 -10.397 1.00 42.45 H new ATOM 0 HA ARG A 63 30.790 18.712 -9.841 1.00 32.00 H new ATOM 0 HB2 ARG A 63 31.973 18.924 -7.662 1.00 41.05 H new ATOM 0 HB3 ARG A 63 31.508 17.282 -8.060 1.00 41.05 H new ATOM 0 HG2 ARG A 63 33.793 16.726 -8.700 1.00 42.42 H new ATOM 0 HG3 ARG A 63 34.297 18.394 -8.516 1.00 42.42 H new ATOM 0 HD2 ARG A 63 34.975 17.141 -6.549 1.00 14.22 H new ATOM 0 HD3 ARG A 63 33.738 18.296 -6.094 1.00 14.22 H new ATOM 0 HE ARG A 63 32.291 15.987 -6.618 1.00 25.55 H new ATOM 0 HH11 ARG A 63 35.060 16.820 -4.585 1.00 1.23 H new ATOM 0 HH12 ARG A 63 34.679 15.612 -3.354 1.00 1.23 H new ATOM 0 HH21 ARG A 63 31.801 14.421 -5.023 1.00 53.21 H new ATOM 0 HH22 ARG A 63 32.837 14.256 -3.601 1.00 53.21 H new ATOM 959 N PRO A 64 31.853 20.869 -10.483 1.00 42.03 N ATOM 960 CA PRO A 64 32.434 22.158 -10.820 1.00 50.30 C ATOM 961 C PRO A 64 32.728 22.996 -9.583 1.00 15.45 C ATOM 962 O PRO A 64 32.019 22.908 -8.577 1.00 33.12 O ATOM 963 CB PRO A 64 31.346 22.808 -11.668 1.00 33.03 C ATOM 964 CG PRO A 64 30.065 22.246 -11.143 1.00 44.51 C ATOM 965 CD PRO A 64 30.383 20.871 -10.609 1.00 5.45 C ATOM 0 HA PRO A 64 33.393 22.064 -11.329 1.00 50.30 H new ATOM 0 HB2 PRO A 64 31.369 23.894 -11.576 1.00 33.03 H new ATOM 0 HB3 PRO A 64 31.476 22.575 -12.725 1.00 33.03 H new ATOM 0 HG2 PRO A 64 29.656 22.882 -10.357 1.00 44.51 H new ATOM 0 HG3 PRO A 64 29.314 22.191 -11.931 1.00 44.51 H new ATOM 0 HD2 PRO A 64 29.900 20.694 -9.648 1.00 5.45 H new ATOM 0 HD3 PRO A 64 30.039 20.090 -11.287 1.00 5.45 H new ATOM 973 N LYS A 65 33.786 23.791 -9.652 1.00 63.55 N ATOM 974 CA LYS A 65 34.125 24.700 -8.568 1.00 13.53 C ATOM 975 C LYS A 65 33.032 25.755 -8.419 1.00 63.33 C ATOM 976 O LYS A 65 33.005 26.745 -9.152 1.00 73.10 O ATOM 977 CB LYS A 65 35.473 25.373 -8.827 1.00 62.35 C ATOM 978 CG LYS A 65 36.650 24.415 -8.869 1.00 44.04 C ATOM 979 CD LYS A 65 37.946 25.166 -9.114 1.00 24.10 C ATOM 980 CE LYS A 65 39.148 24.235 -9.137 1.00 53.25 C ATOM 981 NZ LYS A 65 40.408 24.981 -9.380 1.00 31.21 N ATOM 0 H LYS A 65 34.424 23.825 -10.447 1.00 63.55 H new ATOM 0 HA LYS A 65 34.201 24.127 -7.644 1.00 13.53 H new ATOM 0 HB2 LYS A 65 35.422 25.910 -9.774 1.00 62.35 H new ATOM 0 HB3 LYS A 65 35.651 26.115 -8.049 1.00 62.35 H new ATOM 0 HG2 LYS A 65 36.713 23.868 -7.928 1.00 44.04 H new ATOM 0 HG3 LYS A 65 36.497 23.678 -9.657 1.00 44.04 H new ATOM 0 HD2 LYS A 65 37.882 25.699 -10.062 1.00 24.10 H new ATOM 0 HD3 LYS A 65 38.083 25.916 -8.335 1.00 24.10 H new ATOM 0 HE2 LYS A 65 39.216 23.703 -8.188 1.00 53.25 H new ATOM 0 HE3 LYS A 65 39.013 23.483 -9.915 1.00 53.25 H new ATOM 0 HZ1 LYS A 65 41.208 24.317 -9.390 1.00 31.21 H new ATOM 0 HZ2 LYS A 65 40.351 25.468 -10.297 1.00 31.21 H new ATOM 0 HZ3 LYS A 65 40.548 25.681 -8.624 1.00 31.21 H new ATOM 995 N SER A 66 32.127 25.528 -7.478 1.00 23.25 N ATOM 996 CA SER A 66 30.946 26.364 -7.334 1.00 12.53 C ATOM 997 C SER A 66 31.257 27.647 -6.570 1.00 33.45 C ATOM 998 O SER A 66 31.066 27.726 -5.355 1.00 53.54 O ATOM 999 CB SER A 66 29.839 25.576 -6.635 1.00 3.34 C ATOM 1000 OG SER A 66 29.637 24.325 -7.275 1.00 43.50 O ATOM 0 H SER A 66 32.189 24.768 -6.800 1.00 23.25 H new ATOM 0 HA SER A 66 30.608 26.653 -8.329 1.00 12.53 H new ATOM 0 HB2 SER A 66 30.102 25.417 -5.589 1.00 3.34 H new ATOM 0 HB3 SER A 66 28.913 26.151 -6.647 1.00 3.34 H new ATOM 0 HG SER A 66 28.926 23.833 -6.814 1.00 43.50 H new ATOM 1006 N LEU A 67 31.763 28.635 -7.289 1.00 44.51 N ATOM 1007 CA LEU A 67 32.036 29.940 -6.708 1.00 12.45 C ATOM 1008 C LEU A 67 30.924 30.901 -7.115 1.00 63.32 C ATOM 1009 O LEU A 67 31.013 31.569 -8.147 1.00 55.43 O ATOM 1010 CB LEU A 67 33.404 30.460 -7.184 1.00 61.34 C ATOM 1011 CG LEU A 67 34.126 31.438 -6.247 1.00 40.13 C ATOM 1012 CD1 LEU A 67 35.506 31.762 -6.798 1.00 43.43 C ATOM 1013 CD2 LEU A 67 33.324 32.718 -6.044 1.00 40.31 C ATOM 0 H LEU A 67 31.994 28.558 -8.280 1.00 44.51 H new ATOM 0 HA LEU A 67 32.067 29.861 -5.621 1.00 12.45 H new ATOM 0 HB2 LEU A 67 34.056 29.603 -7.351 1.00 61.34 H new ATOM 0 HB3 LEU A 67 33.267 30.949 -8.148 1.00 61.34 H new ATOM 0 HG LEU A 67 34.229 30.957 -5.275 1.00 40.13 H new ATOM 0 HD11 LEU A 67 36.012 32.457 -6.127 1.00 43.43 H new ATOM 0 HD12 LEU A 67 36.090 30.845 -6.879 1.00 43.43 H new ATOM 0 HD13 LEU A 67 35.407 32.217 -7.784 1.00 43.43 H new ATOM 0 HD21 LEU A 67 33.867 33.385 -5.375 1.00 40.31 H new ATOM 0 HD22 LEU A 67 33.175 33.210 -7.005 1.00 40.31 H new ATOM 0 HD23 LEU A 67 32.356 32.475 -5.607 1.00 40.31 H new ATOM 1025 N ARG A 68 29.862 30.933 -6.328 1.00 14.23 N ATOM 1026 CA ARG A 68 28.717 31.780 -6.633 1.00 22.22 C ATOM 1027 C ARG A 68 28.070 32.283 -5.347 1.00 73.40 C ATOM 1028 O ARG A 68 27.314 31.559 -4.698 1.00 12.31 O ATOM 1029 CB ARG A 68 27.692 31.006 -7.467 1.00 54.24 C ATOM 1030 CG ARG A 68 26.569 31.875 -8.015 1.00 45.11 C ATOM 1031 CD ARG A 68 25.502 31.043 -8.712 1.00 35.31 C ATOM 1032 NE ARG A 68 24.515 31.882 -9.393 1.00 31.44 N ATOM 1033 CZ ARG A 68 23.198 31.820 -9.188 1.00 50.02 C ATOM 1034 NH1 ARG A 68 22.694 30.954 -8.318 1.00 73.03 N ATOM 1035 NH2 ARG A 68 22.385 32.624 -9.863 1.00 42.20 N ATOM 0 H ARG A 68 29.767 30.384 -5.474 1.00 14.23 H new ATOM 0 HA ARG A 68 29.065 32.638 -7.209 1.00 22.22 H new ATOM 0 HB2 ARG A 68 28.204 30.522 -8.299 1.00 54.24 H new ATOM 0 HB3 ARG A 68 27.261 30.214 -6.854 1.00 54.24 H new ATOM 0 HG2 ARG A 68 26.116 32.440 -7.201 1.00 45.11 H new ATOM 0 HG3 ARG A 68 26.980 32.601 -8.716 1.00 45.11 H new ATOM 0 HD2 ARG A 68 25.975 30.378 -9.435 1.00 35.31 H new ATOM 0 HD3 ARG A 68 24.999 30.411 -7.980 1.00 35.31 H new ATOM 0 HE ARG A 68 24.858 32.562 -10.072 1.00 31.44 H new ATOM 0 HH11 ARG A 68 23.314 30.331 -7.801 1.00 73.03 H new ATOM 0 HH12 ARG A 68 21.686 30.912 -8.166 1.00 73.03 H new ATOM 0 HH21 ARG A 68 22.768 33.287 -10.537 1.00 42.20 H new ATOM 0 HH22 ARG A 68 21.378 32.578 -9.708 1.00 42.20 H new ATOM 1049 N ASP A 69 28.391 33.510 -4.976 1.00 43.42 N ATOM 1050 CA ASP A 69 27.802 34.133 -3.799 1.00 35.03 C ATOM 1051 C ASP A 69 26.568 34.923 -4.208 1.00 44.35 C ATOM 1052 O ASP A 69 26.670 35.917 -4.931 1.00 24.24 O ATOM 1053 CB ASP A 69 28.814 35.054 -3.106 1.00 15.24 C ATOM 1054 CG ASP A 69 28.226 35.768 -1.904 1.00 5.01 C ATOM 1055 OD1 ASP A 69 27.999 35.109 -0.870 1.00 2.22 O ATOM 1056 OD2 ASP A 69 27.992 36.994 -1.988 1.00 51.34 O ATOM 0 H ASP A 69 29.059 34.098 -5.474 1.00 43.42 H new ATOM 0 HA ASP A 69 27.517 33.353 -3.094 1.00 35.03 H new ATOM 0 HB2 ASP A 69 29.676 34.467 -2.789 1.00 15.24 H new ATOM 0 HB3 ASP A 69 29.176 35.793 -3.821 1.00 15.24 H new ATOM 1061 N ALA A 70 25.406 34.465 -3.773 1.00 31.34 N ATOM 1062 CA ALA A 70 24.155 35.093 -4.162 1.00 34.42 C ATOM 1063 C ALA A 70 23.463 35.728 -2.965 1.00 3.43 C ATOM 1064 O ALA A 70 23.304 36.948 -2.913 1.00 31.54 O ATOM 1065 CB ALA A 70 23.240 34.077 -4.829 1.00 74.14 C ATOM 0 H ALA A 70 25.303 33.663 -3.152 1.00 31.34 H new ATOM 0 HA ALA A 70 24.381 35.885 -4.876 1.00 34.42 H new ATOM 0 HB1 ALA A 70 22.306 34.561 -5.115 1.00 74.14 H new ATOM 0 HB2 ALA A 70 23.728 33.676 -5.717 1.00 74.14 H new ATOM 0 HB3 ALA A 70 23.029 33.265 -4.133 1.00 74.14 H new ATOM 1071 N MET A 71 23.075 34.887 -2.003 1.00 45.13 N ATOM 1072 CA MET A 71 22.320 35.325 -0.827 1.00 4.24 C ATOM 1073 C MET A 71 21.068 36.082 -1.255 1.00 23.21 C ATOM 1074 O MET A 71 21.040 37.313 -1.271 1.00 22.34 O ATOM 1075 CB MET A 71 23.181 36.191 0.104 1.00 35.40 C ATOM 1076 CG MET A 71 24.461 35.511 0.561 1.00 23.12 C ATOM 1077 SD MET A 71 24.167 33.882 1.277 1.00 51.33 S ATOM 1078 CE MET A 71 25.831 33.423 1.744 1.00 40.34 C ATOM 0 H MET A 71 23.275 33.887 -2.017 1.00 45.13 H new ATOM 0 HA MET A 71 22.023 34.437 -0.270 1.00 4.24 H new ATOM 0 HB2 MET A 71 23.436 37.118 -0.410 1.00 35.40 H new ATOM 0 HB3 MET A 71 22.592 36.463 0.980 1.00 35.40 H new ATOM 0 HG2 MET A 71 25.138 35.413 -0.287 1.00 23.12 H new ATOM 0 HG3 MET A 71 24.960 36.142 1.297 1.00 23.12 H new ATOM 0 HE1 MET A 71 25.820 32.435 2.204 1.00 40.34 H new ATOM 0 HE2 MET A 71 26.465 33.404 0.858 1.00 40.34 H new ATOM 0 HE3 MET A 71 26.223 34.150 2.455 1.00 40.34 H new ATOM 1088 N VAL A 72 20.043 35.334 -1.636 1.00 63.22 N ATOM 1089 CA VAL A 72 18.834 35.924 -2.183 1.00 20.35 C ATOM 1090 C VAL A 72 17.588 35.327 -1.547 1.00 74.04 C ATOM 1091 O VAL A 72 17.629 34.223 -1.007 1.00 55.44 O ATOM 1092 CB VAL A 72 18.752 35.735 -3.715 1.00 25.34 C ATOM 1093 CG1 VAL A 72 19.882 36.468 -4.414 1.00 15.15 C ATOM 1094 CG2 VAL A 72 18.774 34.257 -4.082 1.00 1.10 C ATOM 0 H VAL A 72 20.026 34.316 -1.576 1.00 63.22 H new ATOM 0 HA VAL A 72 18.880 36.989 -1.956 1.00 20.35 H new ATOM 0 HB VAL A 72 17.807 36.160 -4.052 1.00 25.34 H new ATOM 0 HG11 VAL A 72 19.801 36.319 -5.491 1.00 15.15 H new ATOM 0 HG12 VAL A 72 19.819 37.533 -4.189 1.00 15.15 H new ATOM 0 HG13 VAL A 72 20.839 36.080 -4.065 1.00 15.15 H new ATOM 0 HG21 VAL A 72 18.715 34.150 -5.165 1.00 1.10 H new ATOM 0 HG22 VAL A 72 19.699 33.807 -3.723 1.00 1.10 H new ATOM 0 HG23 VAL A 72 17.923 33.755 -3.621 1.00 1.10 H new ATOM 1104 N GLU A 73 16.498 36.086 -1.614 1.00 42.10 N ATOM 1105 CA GLU A 73 15.177 35.636 -1.181 1.00 31.53 C ATOM 1106 C GLU A 73 15.080 35.491 0.337 1.00 63.01 C ATOM 1107 O GLU A 73 15.260 34.406 0.896 1.00 71.10 O ATOM 1108 CB GLU A 73 14.783 34.323 -1.872 1.00 14.44 C ATOM 1109 CG GLU A 73 13.357 33.882 -1.574 1.00 61.51 C ATOM 1110 CD GLU A 73 12.972 32.615 -2.303 1.00 54.52 C ATOM 1111 OE1 GLU A 73 12.631 32.700 -3.502 1.00 45.14 O ATOM 1112 OE2 GLU A 73 12.997 31.529 -1.683 1.00 71.22 O ATOM 0 H GLU A 73 16.506 37.040 -1.974 1.00 42.10 H new ATOM 0 HA GLU A 73 14.472 36.412 -1.479 1.00 31.53 H new ATOM 0 HB2 GLU A 73 14.901 34.439 -2.949 1.00 14.44 H new ATOM 0 HB3 GLU A 73 15.470 33.537 -1.559 1.00 14.44 H new ATOM 0 HG2 GLU A 73 13.246 33.726 -0.501 1.00 61.51 H new ATOM 0 HG3 GLU A 73 12.669 34.680 -1.853 1.00 61.51 H new ATOM 1119 N ASP A 74 14.803 36.597 1.001 1.00 54.20 N ATOM 1120 CA ASP A 74 14.493 36.581 2.419 1.00 62.35 C ATOM 1121 C ASP A 74 13.175 37.305 2.645 1.00 53.00 C ATOM 1122 O ASP A 74 12.247 36.688 3.199 1.00 23.45 O ATOM 1123 CB ASP A 74 15.620 37.187 3.272 1.00 30.50 C ATOM 1124 CG ASP A 74 15.910 38.645 2.969 1.00 30.14 C ATOM 1125 OD1 ASP A 74 16.696 38.915 2.037 1.00 50.44 O ATOM 1126 OD2 ASP A 74 15.397 39.529 3.692 1.00 23.10 O ATOM 1127 OXT ASP A 74 13.041 38.459 2.179 1.00 0.00 O ATOM 0 H ASP A 74 14.786 37.525 0.578 1.00 54.20 H new ATOM 0 HA ASP A 74 14.399 35.544 2.741 1.00 62.35 H new ATOM 0 HB2 ASP A 74 15.356 37.091 4.325 1.00 30.50 H new ATOM 0 HB3 ASP A 74 16.530 36.607 3.118 1.00 30.50 H new TER 1132 ASP A 74