USER MOD reduce.3.24.130724 H: found=0, std=0, add=573, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 572 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 NoAdj-H: A 62 HIS HE2 : A 62 HIS NE2 : A 101 ZNZN :(H bumps) USER MOD Set 1.1: A 45 HIS : no HE2:sc= -1.23! C(o=-0.69!,f=-3.8!) USER MOD Set 1.2: A 47 ASN : amide:sc= 0.537 K(o=-0.69,f=-3.9!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 161:sc= 1.02 (180deg=0.305!) USER MOD Single : A 3 HIS : no HD1:sc= -0.0139 X(o=-0.014,f=-0.08) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 7 HIS : no HD1:sc=-0.00417 X(o=-0.0042,f=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=-0.0027) USER MOD Single : A 9 SER OG : rot 42:sc= 0.298 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 MET CE :methyl 179:sc=-0.00863 (180deg=-0.00931) USER MOD Single : A 13 ASN : amide:sc= -0.0192 K(o=-0.019,f=-1.7!) USER MOD Single : A 15 LYS NZ :NH3+ -179:sc= 0 (180deg=-8.03e-05) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 CYS SG : rot 5:sc= 0.355 USER MOD Single : A 21 CYS SG : rot 36:sc= -0.0454 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0.134 K(o=0.13,f=-3.3!) USER MOD Single : A 32 MET CE :methyl 167:sc= 0 (180deg=-0.107) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0132) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 THR OG1 : rot 60:sc= 0.408 USER MOD Single : A 48 GLN : amide:sc= -0.411 X(o=-0.41,f=-0.063) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot -34:sc= 0.23 USER MOD Single : A 55 GLN : amide:sc= -0.0572 K(o=-0.057,f=-1.9!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -0.193 K(o=-0.19,f=-2.5!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 HIS : no HD1:sc= -3.06! C(o=-3.1!,f=-6.7!) USER MOD Single : A 67 SER OG : rot -114:sc= 0.564 USER MOD Single : A 70 LYS NZ :NH3+ 171:sc= -0.396 (180deg=-0.888) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 22.003-105.532 -54.469 1.00 74.14 N ATOM 2 CA MET A 1 21.590-105.487 -53.044 1.00 2.21 C ATOM 3 C MET A 1 22.219-104.253 -52.384 1.00 23.11 C ATOM 4 O MET A 1 23.442-104.069 -52.451 1.00 63.15 O ATOM 5 CB MET A 1 22.018-106.783 -52.296 1.00 34.41 C ATOM 6 CG MET A 1 21.390-108.076 -52.840 1.00 1.24 C ATOM 7 SD MET A 1 21.880-108.432 -54.544 1.00 70.43 S ATOM 8 CE MET A 1 21.070-110.006 -54.837 1.00 1.43 C ATOM 0 H1 MET A 1 21.866-106.494 -54.840 1.00 74.14 H new ATOM 0 H2 MET A 1 21.426-104.863 -55.019 1.00 74.14 H new ATOM 0 H3 MET A 1 23.006-105.270 -54.548 1.00 74.14 H new ATOM 0 HA MET A 1 20.503-105.421 -52.988 1.00 2.21 H new ATOM 0 HB2 MET A 1 23.103-106.873 -52.346 1.00 34.41 H new ATOM 0 HB3 MET A 1 21.755-106.682 -51.243 1.00 34.41 H new ATOM 0 HG2 MET A 1 21.679-108.911 -52.202 1.00 1.24 H new ATOM 0 HG3 MET A 1 20.304-107.996 -52.788 1.00 1.24 H new ATOM 0 HE1 MET A 1 21.287-110.344 -55.850 1.00 1.43 H new ATOM 0 HE2 MET A 1 21.437-110.743 -54.123 1.00 1.43 H new ATOM 0 HE3 MET A 1 19.993-109.889 -54.716 1.00 1.43 H new ATOM 20 N GLY A 2 21.381-103.412 -51.762 1.00 11.04 N ATOM 21 CA GLY A 2 21.834-102.167 -51.135 1.00 30.22 C ATOM 22 C GLY A 2 21.282-102.012 -49.729 1.00 43.32 C ATOM 23 O GLY A 2 20.316-102.695 -49.355 1.00 41.11 O ATOM 0 H GLY A 2 20.378-103.576 -51.681 1.00 11.04 H new ATOM 0 HA2 GLY A 2 22.923-102.152 -51.102 1.00 30.22 H new ATOM 0 HA3 GLY A 2 21.522-101.319 -51.744 1.00 30.22 H new ATOM 27 N HIS A 3 21.892-101.109 -48.947 1.00 41.25 N ATOM 28 CA HIS A 3 21.491-100.844 -47.560 1.00 71.24 C ATOM 29 C HIS A 3 21.514 -99.323 -47.299 1.00 3.11 C ATOM 30 O HIS A 3 22.548 -98.664 -47.453 1.00 61.15 O ATOM 31 CB HIS A 3 22.405-101.620 -46.569 1.00 22.50 C ATOM 32 CG HIS A 3 23.875-101.302 -46.662 1.00 32.14 C ATOM 33 ND1 HIS A 3 24.694-101.818 -47.639 1.00 33.35 N ATOM 34 CD2 HIS A 3 24.672-100.530 -45.884 1.00 43.13 C ATOM 35 CE1 HIS A 3 25.922-101.379 -47.456 1.00 40.13 C ATOM 36 NE2 HIS A 3 25.937-100.593 -46.401 1.00 44.14 N ATOM 0 H HIS A 3 22.679-100.541 -49.261 1.00 41.25 H new ATOM 0 HA HIS A 3 20.473-101.200 -47.399 1.00 71.24 H new ATOM 0 HB2 HIS A 3 22.069-101.413 -45.553 1.00 22.50 H new ATOM 0 HB3 HIS A 3 22.270-102.688 -46.737 1.00 22.50 H new ATOM 0 HD2 HIS A 3 24.365 -99.968 -45.015 1.00 43.13 H new ATOM 0 HE1 HIS A 3 26.776-101.624 -48.070 1.00 40.13 H new ATOM 0 HE2 HIS A 3 26.756-100.111 -46.030 1.00 44.14 H new ATOM 45 N HIS A 4 20.346 -98.779 -46.938 1.00 40.33 N ATOM 46 CA HIS A 4 20.163 -97.352 -46.638 1.00 3.05 C ATOM 47 C HIS A 4 18.899 -97.185 -45.791 1.00 44.35 C ATOM 48 O HIS A 4 17.844 -97.729 -46.130 1.00 24.31 O ATOM 49 CB HIS A 4 20.062 -96.511 -47.937 1.00 32.14 C ATOM 50 CG HIS A 4 19.802 -95.034 -47.712 1.00 33.12 C ATOM 51 ND1 HIS A 4 20.811 -94.119 -47.493 1.00 71.44 N ATOM 52 CD2 HIS A 4 18.643 -94.319 -47.661 1.00 12.04 C ATOM 53 CE1 HIS A 4 20.288 -92.922 -47.317 1.00 40.01 C ATOM 54 NE2 HIS A 4 18.983 -93.017 -47.414 1.00 61.21 N ATOM 0 H HIS A 4 19.489 -99.324 -46.844 1.00 40.33 H new ATOM 0 HA HIS A 4 21.030 -96.990 -46.085 1.00 3.05 H new ATOM 0 HB2 HIS A 4 20.989 -96.622 -48.500 1.00 32.14 H new ATOM 0 HB3 HIS A 4 19.263 -96.917 -48.557 1.00 32.14 H new ATOM 0 HD2 HIS A 4 17.644 -94.707 -47.791 1.00 12.04 H new ATOM 0 HE1 HIS A 4 20.841 -92.015 -47.125 1.00 40.01 H new ATOM 0 HE2 HIS A 4 18.326 -92.243 -47.320 1.00 61.21 H new ATOM 63 N HIS A 5 19.024 -96.430 -44.696 1.00 41.14 N ATOM 64 CA HIS A 5 17.911 -96.139 -43.773 1.00 54.30 C ATOM 65 C HIS A 5 17.953 -94.663 -43.352 1.00 12.52 C ATOM 66 O HIS A 5 18.858 -93.915 -43.742 1.00 41.52 O ATOM 67 CB HIS A 5 17.965 -97.069 -42.528 1.00 65.34 C ATOM 68 CG HIS A 5 17.527 -98.487 -42.789 1.00 15.33 C ATOM 69 ND1 HIS A 5 16.230 -98.915 -42.604 1.00 24.23 N ATOM 70 CD2 HIS A 5 18.212 -99.568 -43.231 1.00 10.10 C ATOM 71 CE1 HIS A 5 16.142-100.189 -42.919 1.00 34.42 C ATOM 72 NE2 HIS A 5 17.325-100.606 -43.301 1.00 11.41 N ATOM 0 H HIS A 5 19.905 -95.998 -44.418 1.00 41.14 H new ATOM 0 HA HIS A 5 16.971 -96.330 -44.290 1.00 54.30 H new ATOM 0 HB2 HIS A 5 18.985 -97.082 -42.144 1.00 65.34 H new ATOM 0 HB3 HIS A 5 17.335 -96.645 -41.746 1.00 65.34 H new ATOM 0 HD2 HIS A 5 19.262 -99.604 -43.481 1.00 10.10 H new ATOM 0 HE1 HIS A 5 15.246-100.790 -42.871 1.00 34.42 H new ATOM 0 HE2 HIS A 5 17.548-101.555 -43.603 1.00 11.41 H new ATOM 81 N HIS A 6 16.952 -94.263 -42.556 1.00 41.11 N ATOM 82 CA HIS A 6 16.824 -92.896 -42.031 1.00 4.00 C ATOM 83 C HIS A 6 16.026 -92.940 -40.709 1.00 21.12 C ATOM 84 O HIS A 6 15.106 -93.753 -40.568 1.00 52.11 O ATOM 85 CB HIS A 6 16.138 -91.972 -43.078 1.00 70.35 C ATOM 86 CG HIS A 6 14.703 -92.319 -43.375 1.00 64.43 C ATOM 87 ND1 HIS A 6 14.336 -93.366 -44.187 1.00 11.04 N ATOM 88 CD2 HIS A 6 13.544 -91.765 -42.940 1.00 55.03 C ATOM 89 CE1 HIS A 6 13.020 -93.442 -44.233 1.00 45.13 C ATOM 90 NE2 HIS A 6 12.517 -92.484 -43.486 1.00 21.24 N ATOM 0 H HIS A 6 16.201 -94.885 -42.255 1.00 41.11 H new ATOM 0 HA HIS A 6 17.813 -92.482 -41.833 1.00 4.00 H new ATOM 0 HB2 HIS A 6 16.183 -90.943 -42.720 1.00 70.35 H new ATOM 0 HB3 HIS A 6 16.707 -92.012 -44.007 1.00 70.35 H new ATOM 0 HD2 HIS A 6 13.450 -90.913 -42.283 1.00 55.03 H new ATOM 0 HE1 HIS A 6 12.450 -94.170 -44.791 1.00 45.13 H new ATOM 0 HE2 HIS A 6 11.524 -92.306 -43.338 1.00 21.24 H new ATOM 99 N HIS A 7 16.396 -92.072 -39.753 1.00 1.03 N ATOM 100 CA HIS A 7 15.760 -92.000 -38.425 1.00 73.42 C ATOM 101 C HIS A 7 16.134 -90.668 -37.738 1.00 52.52 C ATOM 102 O HIS A 7 16.971 -90.616 -36.829 1.00 33.55 O ATOM 103 CB HIS A 7 16.107 -93.246 -37.542 1.00 44.31 C ATOM 104 CG HIS A 7 17.571 -93.632 -37.490 1.00 33.33 C ATOM 105 ND1 HIS A 7 18.132 -94.546 -38.359 1.00 3.52 N ATOM 106 CD2 HIS A 7 18.581 -93.243 -36.669 1.00 20.43 C ATOM 107 CE1 HIS A 7 19.407 -94.699 -38.073 1.00 15.12 C ATOM 108 NE2 HIS A 7 19.704 -93.924 -37.056 1.00 12.03 N ATOM 0 H HIS A 7 17.149 -91.396 -39.880 1.00 1.03 H new ATOM 0 HA HIS A 7 14.678 -92.022 -38.555 1.00 73.42 H new ATOM 0 HB2 HIS A 7 15.766 -93.053 -36.525 1.00 44.31 H new ATOM 0 HB3 HIS A 7 15.539 -94.099 -37.912 1.00 44.31 H new ATOM 0 HD2 HIS A 7 18.511 -92.529 -35.861 1.00 20.43 H new ATOM 0 HE1 HIS A 7 20.094 -95.353 -38.589 1.00 15.12 H new ATOM 0 HE2 HIS A 7 20.624 -93.842 -36.623 1.00 12.03 H new ATOM 117 N HIS A 8 15.550 -89.572 -38.253 1.00 43.42 N ATOM 118 CA HIS A 8 15.733 -88.215 -37.703 1.00 34.01 C ATOM 119 C HIS A 8 14.347 -87.574 -37.485 1.00 20.42 C ATOM 120 O HIS A 8 13.833 -86.853 -38.354 1.00 4.42 O ATOM 121 CB HIS A 8 16.587 -87.323 -38.656 1.00 33.11 C ATOM 122 CG HIS A 8 17.957 -87.855 -39.007 1.00 12.04 C ATOM 123 ND1 HIS A 8 18.439 -87.859 -40.298 1.00 45.03 N ATOM 124 CD2 HIS A 8 18.959 -88.355 -38.241 1.00 41.12 C ATOM 125 CE1 HIS A 8 19.666 -88.331 -40.308 1.00 72.52 C ATOM 126 NE2 HIS A 8 20.008 -88.639 -39.078 1.00 21.11 N ATOM 0 H HIS A 8 14.935 -89.601 -39.066 1.00 43.42 H new ATOM 0 HA HIS A 8 16.267 -88.291 -36.756 1.00 34.01 H new ATOM 0 HB2 HIS A 8 16.029 -87.174 -39.580 1.00 33.11 H new ATOM 0 HB3 HIS A 8 16.706 -86.343 -38.195 1.00 33.11 H new ATOM 0 HD2 HIS A 8 18.935 -88.502 -37.171 1.00 41.12 H new ATOM 0 HE1 HIS A 8 20.289 -88.446 -41.182 1.00 72.52 H new ATOM 0 HE2 HIS A 8 20.907 -89.026 -38.792 1.00 21.11 H new ATOM 135 N SER A 9 13.724 -87.901 -36.349 1.00 61.52 N ATOM 136 CA SER A 9 12.411 -87.369 -35.972 1.00 14.24 C ATOM 137 C SER A 9 12.323 -87.241 -34.441 1.00 13.23 C ATOM 138 O SER A 9 12.202 -88.241 -33.721 1.00 53.22 O ATOM 139 CB SER A 9 11.287 -88.284 -36.518 1.00 61.33 C ATOM 140 OG SER A 9 11.480 -89.637 -36.131 1.00 74.43 O ATOM 0 H SER A 9 14.118 -88.545 -35.662 1.00 61.52 H new ATOM 0 HA SER A 9 12.283 -86.379 -36.410 1.00 14.24 H new ATOM 0 HB2 SER A 9 10.322 -87.934 -36.151 1.00 61.33 H new ATOM 0 HB3 SER A 9 11.258 -88.217 -37.606 1.00 61.33 H new ATOM 0 HG SER A 9 11.773 -89.671 -35.196 1.00 74.43 H new ATOM 146 N HIS A 10 12.441 -86.001 -33.957 1.00 53.32 N ATOM 147 CA HIS A 10 12.222 -85.667 -32.547 1.00 15.50 C ATOM 148 C HIS A 10 11.423 -84.357 -32.514 1.00 1.22 C ATOM 149 O HIS A 10 11.998 -83.274 -32.645 1.00 32.30 O ATOM 150 CB HIS A 10 13.570 -85.556 -31.776 1.00 43.25 C ATOM 151 CG HIS A 10 13.396 -85.488 -30.279 1.00 44.41 C ATOM 152 ND1 HIS A 10 13.327 -84.304 -29.577 1.00 52.24 N ATOM 153 CD2 HIS A 10 13.255 -86.473 -29.356 1.00 72.45 C ATOM 154 CE1 HIS A 10 13.152 -84.566 -28.297 1.00 73.03 C ATOM 155 NE2 HIS A 10 13.104 -85.870 -28.139 1.00 41.35 N ATOM 0 H HIS A 10 12.692 -85.198 -34.534 1.00 53.32 H new ATOM 0 HA HIS A 10 11.663 -86.455 -32.043 1.00 15.50 H new ATOM 0 HB2 HIS A 10 14.194 -86.414 -32.024 1.00 43.25 H new ATOM 0 HB3 HIS A 10 14.102 -84.667 -32.114 1.00 43.25 H new ATOM 0 HD2 HIS A 10 13.261 -87.536 -29.548 1.00 72.45 H new ATOM 0 HE1 HIS A 10 13.063 -83.832 -27.510 1.00 73.03 H new ATOM 0 HE2 HIS A 10 12.975 -86.354 -27.251 1.00 41.35 H new ATOM 164 N MET A 11 10.090 -84.512 -32.386 1.00 2.15 N ATOM 165 CA MET A 11 9.094 -83.444 -32.597 1.00 13.21 C ATOM 166 C MET A 11 9.268 -82.294 -31.579 1.00 40.45 C ATOM 167 O MET A 11 8.972 -82.471 -30.393 1.00 55.31 O ATOM 168 CB MET A 11 7.651 -84.033 -32.500 1.00 71.41 C ATOM 169 CG MET A 11 7.350 -85.159 -33.501 1.00 51.30 C ATOM 170 SD MET A 11 8.342 -86.644 -33.196 1.00 0.23 S ATOM 171 CE MET A 11 7.942 -87.632 -34.632 1.00 20.53 C ATOM 0 H MET A 11 9.667 -85.403 -32.127 1.00 2.15 H new ATOM 0 HA MET A 11 9.251 -83.032 -33.594 1.00 13.21 H new ATOM 0 HB2 MET A 11 7.495 -84.412 -31.490 1.00 71.41 H new ATOM 0 HB3 MET A 11 6.933 -83.227 -32.653 1.00 71.41 H new ATOM 0 HG2 MET A 11 6.292 -85.416 -33.447 1.00 51.30 H new ATOM 0 HG3 MET A 11 7.540 -84.801 -34.513 1.00 51.30 H new ATOM 0 HE1 MET A 11 8.494 -88.571 -34.593 1.00 20.53 H new ATOM 0 HE2 MET A 11 6.872 -87.840 -34.644 1.00 20.53 H new ATOM 0 HE3 MET A 11 8.216 -87.088 -35.536 1.00 20.53 H new ATOM 181 N PRO A 12 9.771 -81.102 -32.023 1.00 43.44 N ATOM 182 CA PRO A 12 9.958 -79.945 -31.134 1.00 14.11 C ATOM 183 C PRO A 12 8.670 -79.095 -31.003 1.00 72.05 C ATOM 184 O PRO A 12 7.921 -78.920 -31.979 1.00 51.14 O ATOM 185 CB PRO A 12 11.103 -79.178 -31.832 1.00 12.43 C ATOM 186 CG PRO A 12 10.902 -79.434 -33.304 1.00 22.11 C ATOM 187 CD PRO A 12 10.195 -80.782 -33.422 1.00 71.45 C ATOM 0 HA PRO A 12 10.189 -80.219 -30.105 1.00 14.11 H new ATOM 0 HB2 PRO A 12 11.059 -78.112 -31.607 1.00 12.43 H new ATOM 0 HB3 PRO A 12 12.078 -79.534 -31.499 1.00 12.43 H new ATOM 0 HG2 PRO A 12 10.304 -78.643 -33.756 1.00 22.11 H new ATOM 0 HG3 PRO A 12 11.858 -79.451 -33.828 1.00 22.11 H new ATOM 0 HD2 PRO A 12 9.338 -80.724 -34.094 1.00 71.45 H new ATOM 0 HD3 PRO A 12 10.861 -81.547 -33.820 1.00 71.45 H new ATOM 195 N ASN A 13 8.420 -78.588 -29.792 1.00 65.03 N ATOM 196 CA ASN A 13 7.262 -77.716 -29.499 1.00 33.33 C ATOM 197 C ASN A 13 7.605 -76.774 -28.342 1.00 64.42 C ATOM 198 O ASN A 13 8.558 -77.020 -27.589 1.00 40.43 O ATOM 199 CB ASN A 13 5.983 -78.542 -29.177 1.00 44.32 C ATOM 200 CG ASN A 13 6.080 -79.410 -27.907 1.00 53.42 C ATOM 201 OD1 ASN A 13 7.131 -79.970 -27.582 1.00 60.12 O ATOM 202 ND2 ASN A 13 4.991 -79.512 -27.154 1.00 21.00 N ATOM 0 H ASN A 13 9.012 -78.767 -28.981 1.00 65.03 H new ATOM 0 HA ASN A 13 7.046 -77.127 -30.390 1.00 33.33 H new ATOM 0 HB2 ASN A 13 5.142 -77.857 -29.069 1.00 44.32 H new ATOM 0 HB3 ASN A 13 5.761 -79.188 -30.026 1.00 44.32 H new ATOM 0 HD21 ASN A 13 5.015 -80.059 -26.293 1.00 21.00 H new ATOM 0 HD22 ASN A 13 4.130 -79.043 -27.436 1.00 21.00 H new ATOM 209 N GLY A 14 6.822 -75.696 -28.209 1.00 74.23 N ATOM 210 CA GLY A 14 7.046 -74.697 -27.167 1.00 3.34 C ATOM 211 C GLY A 14 5.979 -73.621 -27.179 1.00 54.23 C ATOM 212 O GLY A 14 4.959 -73.764 -27.871 1.00 30.52 O ATOM 0 H GLY A 14 6.026 -75.497 -28.815 1.00 74.23 H new ATOM 0 HA2 GLY A 14 7.059 -75.185 -26.192 1.00 3.34 H new ATOM 0 HA3 GLY A 14 8.025 -74.239 -27.307 1.00 3.34 H new ATOM 216 N LYS A 15 6.225 -72.549 -26.397 1.00 73.23 N ATOM 217 CA LYS A 15 5.321 -71.386 -26.258 1.00 4.43 C ATOM 218 C LYS A 15 3.943 -71.787 -25.675 1.00 4.01 C ATOM 219 O LYS A 15 2.930 -71.137 -25.963 1.00 13.43 O ATOM 220 CB LYS A 15 5.166 -70.629 -27.615 1.00 24.24 C ATOM 221 CG LYS A 15 6.480 -70.086 -28.224 1.00 13.44 C ATOM 222 CD LYS A 15 7.196 -69.055 -27.320 1.00 63.32 C ATOM 223 CE LYS A 15 8.393 -68.376 -28.018 1.00 22.11 C ATOM 224 NZ LYS A 15 9.429 -69.344 -28.476 1.00 24.50 N ATOM 0 H LYS A 15 7.072 -72.465 -25.834 1.00 73.23 H new ATOM 0 HA LYS A 15 5.781 -70.704 -25.543 1.00 4.43 H new ATOM 0 HB2 LYS A 15 4.702 -71.302 -28.336 1.00 24.24 H new ATOM 0 HB3 LYS A 15 4.480 -69.794 -27.470 1.00 24.24 H new ATOM 0 HG2 LYS A 15 7.155 -70.920 -28.416 1.00 13.44 H new ATOM 0 HG3 LYS A 15 6.262 -69.624 -29.187 1.00 13.44 H new ATOM 0 HD2 LYS A 15 6.482 -68.292 -27.010 1.00 63.32 H new ATOM 0 HD3 LYS A 15 7.544 -69.552 -26.415 1.00 63.32 H new ATOM 0 HE2 LYS A 15 8.031 -67.808 -28.875 1.00 22.11 H new ATOM 0 HE3 LYS A 15 8.849 -67.663 -27.332 1.00 22.11 H new ATOM 0 HZ1 LYS A 15 10.214 -68.827 -28.921 1.00 24.50 H new ATOM 0 HZ2 LYS A 15 9.786 -69.882 -27.661 1.00 24.50 H new ATOM 0 HZ3 LYS A 15 9.011 -70.000 -29.166 1.00 24.50 H new ATOM 238 N LEU A 16 3.916 -72.851 -24.832 1.00 55.02 N ATOM 239 CA LEU A 16 2.697 -73.253 -24.099 1.00 14.20 C ATOM 240 C LEU A 16 2.478 -72.288 -22.913 1.00 34.03 C ATOM 241 O LEU A 16 3.070 -72.458 -21.838 1.00 72.43 O ATOM 242 CB LEU A 16 2.754 -74.741 -23.614 1.00 24.34 C ATOM 243 CG LEU A 16 2.526 -75.858 -24.698 1.00 32.35 C ATOM 244 CD1 LEU A 16 1.235 -75.608 -25.508 1.00 75.42 C ATOM 245 CD2 LEU A 16 3.752 -76.043 -25.622 1.00 53.25 C ATOM 0 H LEU A 16 4.726 -73.443 -24.646 1.00 55.02 H new ATOM 0 HA LEU A 16 1.851 -73.190 -24.783 1.00 14.20 H new ATOM 0 HB2 LEU A 16 3.728 -74.910 -23.154 1.00 24.34 H new ATOM 0 HB3 LEU A 16 2.006 -74.871 -22.832 1.00 24.34 H new ATOM 0 HG LEU A 16 2.399 -76.796 -24.158 1.00 32.35 H new ATOM 0 HD11 LEU A 16 1.110 -76.399 -26.247 1.00 75.42 H new ATOM 0 HD12 LEU A 16 0.378 -75.602 -24.834 1.00 75.42 H new ATOM 0 HD13 LEU A 16 1.304 -74.646 -26.015 1.00 75.42 H new ATOM 0 HD21 LEU A 16 3.543 -76.825 -26.352 1.00 53.25 H new ATOM 0 HD22 LEU A 16 3.960 -75.108 -26.142 1.00 53.25 H new ATOM 0 HD23 LEU A 16 4.618 -76.327 -25.025 1.00 53.25 H new ATOM 257 N LYS A 17 1.640 -71.262 -23.143 1.00 11.03 N ATOM 258 CA LYS A 17 1.396 -70.174 -22.181 1.00 5.43 C ATOM 259 C LYS A 17 0.014 -69.529 -22.438 1.00 61.53 C ATOM 260 O LYS A 17 -0.443 -69.451 -23.586 1.00 73.40 O ATOM 261 CB LYS A 17 2.516 -69.098 -22.291 1.00 21.42 C ATOM 262 CG LYS A 17 2.733 -68.532 -23.717 1.00 23.34 C ATOM 263 CD LYS A 17 3.693 -67.323 -23.762 1.00 34.21 C ATOM 264 CE LYS A 17 3.169 -66.136 -22.938 1.00 22.20 C ATOM 265 NZ LYS A 17 4.023 -64.931 -23.074 1.00 20.41 N ATOM 0 H LYS A 17 1.109 -71.164 -24.009 1.00 11.03 H new ATOM 0 HA LYS A 17 1.406 -70.592 -21.174 1.00 5.43 H new ATOM 0 HB2 LYS A 17 2.276 -68.273 -21.620 1.00 21.42 H new ATOM 0 HB3 LYS A 17 3.453 -69.531 -21.940 1.00 21.42 H new ATOM 0 HG2 LYS A 17 3.127 -69.322 -24.357 1.00 23.34 H new ATOM 0 HG3 LYS A 17 1.770 -68.236 -24.132 1.00 23.34 H new ATOM 0 HD2 LYS A 17 4.670 -67.623 -23.384 1.00 34.21 H new ATOM 0 HD3 LYS A 17 3.834 -67.011 -24.797 1.00 34.21 H new ATOM 0 HE2 LYS A 17 2.154 -65.896 -23.256 1.00 22.20 H new ATOM 0 HE3 LYS A 17 3.114 -66.422 -21.888 1.00 22.20 H new ATOM 0 HZ1 LYS A 17 3.628 -64.159 -22.500 1.00 20.41 H new ATOM 0 HZ2 LYS A 17 4.986 -65.149 -22.746 1.00 20.41 H new ATOM 0 HZ3 LYS A 17 4.055 -64.639 -24.072 1.00 20.41 H new ATOM 279 N CYS A 18 -0.632 -69.068 -21.354 1.00 12.25 N ATOM 280 CA CYS A 18 -1.924 -68.360 -21.410 1.00 54.31 C ATOM 281 C CYS A 18 -1.963 -67.276 -20.315 1.00 74.44 C ATOM 282 O CYS A 18 -2.532 -67.466 -19.232 1.00 71.41 O ATOM 283 CB CYS A 18 -3.106 -69.353 -21.272 1.00 40.01 C ATOM 284 SG CYS A 18 -3.250 -70.528 -22.639 1.00 13.42 S ATOM 0 H CYS A 18 -0.270 -69.177 -20.406 1.00 12.25 H new ATOM 0 HA CYS A 18 -2.027 -67.876 -22.381 1.00 54.31 H new ATOM 0 HB2 CYS A 18 -2.993 -69.908 -20.341 1.00 40.01 H new ATOM 0 HB3 CYS A 18 -4.034 -68.787 -21.195 1.00 40.01 H new ATOM 0 HG CYS A 18 -2.240 -70.383 -23.444 1.00 13.42 H new ATOM 290 N ASP A 19 -1.278 -66.165 -20.605 1.00 2.34 N ATOM 291 CA ASP A 19 -1.140 -65.014 -19.695 1.00 5.44 C ATOM 292 C ASP A 19 -2.357 -64.067 -19.833 1.00 43.22 C ATOM 293 O ASP A 19 -2.604 -63.492 -20.899 1.00 61.51 O ATOM 294 CB ASP A 19 0.205 -64.285 -19.994 1.00 33.22 C ATOM 295 CG ASP A 19 0.337 -63.772 -21.441 1.00 33.25 C ATOM 296 OD1 ASP A 19 0.397 -64.599 -22.376 1.00 51.21 O ATOM 297 OD2 ASP A 19 0.368 -62.549 -21.661 1.00 2.02 O ATOM 0 H ASP A 19 -0.794 -66.034 -21.493 1.00 2.34 H new ATOM 0 HA ASP A 19 -1.121 -65.357 -18.661 1.00 5.44 H new ATOM 0 HB2 ASP A 19 0.308 -63.442 -19.311 1.00 33.22 H new ATOM 0 HB3 ASP A 19 1.029 -64.967 -19.786 1.00 33.22 H new ATOM 302 N VAL A 20 -3.146 -63.950 -18.749 1.00 70.31 N ATOM 303 CA VAL A 20 -4.408 -63.182 -18.742 1.00 22.25 C ATOM 304 C VAL A 20 -4.402 -62.178 -17.571 1.00 31.13 C ATOM 305 O VAL A 20 -4.517 -62.583 -16.413 1.00 55.13 O ATOM 306 CB VAL A 20 -5.662 -64.144 -18.606 1.00 73.03 C ATOM 307 CG1 VAL A 20 -6.993 -63.357 -18.701 1.00 20.31 C ATOM 308 CG2 VAL A 20 -5.615 -65.296 -19.647 1.00 52.20 C ATOM 0 H VAL A 20 -2.928 -64.385 -17.852 1.00 70.31 H new ATOM 0 HA VAL A 20 -4.484 -62.647 -19.688 1.00 22.25 H new ATOM 0 HB VAL A 20 -5.615 -64.596 -17.615 1.00 73.03 H new ATOM 0 HG11 VAL A 20 -7.831 -64.047 -18.604 1.00 20.31 H new ATOM 0 HG12 VAL A 20 -7.037 -62.618 -17.901 1.00 20.31 H new ATOM 0 HG13 VAL A 20 -7.049 -62.852 -19.665 1.00 20.31 H new ATOM 0 HG21 VAL A 20 -6.490 -65.934 -19.523 1.00 52.20 H new ATOM 0 HG22 VAL A 20 -5.611 -64.877 -20.653 1.00 52.20 H new ATOM 0 HG23 VAL A 20 -4.711 -65.886 -19.496 1.00 52.20 H new ATOM 318 N CYS A 21 -4.244 -60.873 -17.885 1.00 12.22 N ATOM 319 CA CYS A 21 -4.333 -59.785 -16.889 1.00 41.24 C ATOM 320 C CYS A 21 -4.714 -58.465 -17.590 1.00 25.41 C ATOM 321 O CYS A 21 -3.870 -57.817 -18.227 1.00 22.31 O ATOM 322 CB CYS A 21 -3.007 -59.631 -16.090 1.00 42.10 C ATOM 323 SG CYS A 21 -1.547 -59.277 -17.093 1.00 2.43 S ATOM 0 H CYS A 21 -4.052 -60.547 -18.832 1.00 12.22 H new ATOM 0 HA CYS A 21 -5.111 -60.041 -16.170 1.00 41.24 H new ATOM 0 HB2 CYS A 21 -3.131 -58.830 -15.361 1.00 42.10 H new ATOM 0 HB3 CYS A 21 -2.830 -60.549 -15.529 1.00 42.10 H new ATOM 0 HG CYS A 21 -1.880 -58.509 -18.087 1.00 2.43 H new ATOM 329 N GLY A 22 -6.005 -58.098 -17.494 1.00 45.34 N ATOM 330 CA GLY A 22 -6.526 -56.864 -18.088 1.00 42.10 C ATOM 331 C GLY A 22 -7.208 -55.962 -17.071 1.00 4.44 C ATOM 332 O GLY A 22 -8.154 -55.246 -17.413 1.00 21.21 O ATOM 0 H GLY A 22 -6.709 -58.649 -17.004 1.00 45.34 H new ATOM 0 HA2 GLY A 22 -5.708 -56.319 -18.559 1.00 42.10 H new ATOM 0 HA3 GLY A 22 -7.235 -57.117 -18.876 1.00 42.10 H new ATOM 336 N MET A 23 -6.725 -56.003 -15.809 1.00 32.43 N ATOM 337 CA MET A 23 -7.203 -55.111 -14.742 1.00 61.42 C ATOM 338 C MET A 23 -6.683 -53.670 -14.991 1.00 42.13 C ATOM 339 O MET A 23 -5.510 -53.353 -14.749 1.00 54.24 O ATOM 340 CB MET A 23 -6.793 -55.660 -13.331 1.00 5.33 C ATOM 341 CG MET A 23 -5.286 -55.847 -13.100 1.00 11.11 C ATOM 342 SD MET A 23 -4.881 -56.548 -11.489 1.00 75.25 S ATOM 343 CE MET A 23 -3.085 -56.555 -11.560 1.00 13.00 C ATOM 0 H MET A 23 -5.998 -56.652 -15.508 1.00 32.43 H new ATOM 0 HA MET A 23 -8.292 -55.078 -14.758 1.00 61.42 H new ATOM 0 HB2 MET A 23 -7.176 -54.979 -12.571 1.00 5.33 H new ATOM 0 HB3 MET A 23 -7.287 -56.619 -13.177 1.00 5.33 H new ATOM 0 HG2 MET A 23 -4.886 -56.495 -13.879 1.00 11.11 H new ATOM 0 HG3 MET A 23 -4.789 -54.882 -13.202 1.00 11.11 H new ATOM 0 HE1 MET A 23 -2.686 -56.963 -10.631 1.00 13.00 H new ATOM 0 HE2 MET A 23 -2.756 -57.171 -12.397 1.00 13.00 H new ATOM 0 HE3 MET A 23 -2.722 -55.536 -11.695 1.00 13.00 H new ATOM 353 N VAL A 24 -7.558 -52.822 -15.554 1.00 14.13 N ATOM 354 CA VAL A 24 -7.217 -51.429 -15.915 1.00 62.52 C ATOM 355 C VAL A 24 -7.954 -50.439 -14.998 1.00 52.14 C ATOM 356 O VAL A 24 -9.007 -50.760 -14.442 1.00 62.11 O ATOM 357 CB VAL A 24 -7.556 -51.121 -17.424 1.00 63.33 C ATOM 358 CG1 VAL A 24 -6.793 -52.076 -18.376 1.00 31.45 C ATOM 359 CG2 VAL A 24 -9.083 -51.162 -17.694 1.00 72.04 C ATOM 0 H VAL A 24 -8.521 -53.078 -15.773 1.00 14.13 H new ATOM 0 HA VAL A 24 -6.142 -51.310 -15.780 1.00 62.52 H new ATOM 0 HB VAL A 24 -7.220 -50.104 -17.628 1.00 63.33 H new ATOM 0 HG11 VAL A 24 -7.047 -51.839 -19.409 1.00 31.45 H new ATOM 0 HG12 VAL A 24 -5.720 -51.955 -18.229 1.00 31.45 H new ATOM 0 HG13 VAL A 24 -7.075 -53.107 -18.160 1.00 31.45 H new ATOM 0 HG21 VAL A 24 -9.273 -50.944 -18.745 1.00 72.04 H new ATOM 0 HG22 VAL A 24 -9.469 -52.153 -17.453 1.00 72.04 H new ATOM 0 HG23 VAL A 24 -9.582 -50.418 -17.074 1.00 72.04 H new ATOM 369 N CYS A 25 -7.368 -49.243 -14.845 1.00 2.43 N ATOM 370 CA CYS A 25 -7.974 -48.124 -14.106 1.00 54.02 C ATOM 371 C CYS A 25 -8.468 -47.081 -15.117 1.00 43.14 C ATOM 372 O CYS A 25 -7.758 -46.759 -16.078 1.00 53.30 O ATOM 373 CB CYS A 25 -6.941 -47.503 -13.139 1.00 31.05 C ATOM 374 SG CYS A 25 -7.579 -46.137 -12.134 1.00 32.11 S ATOM 0 H CYS A 25 -6.451 -49.022 -15.234 1.00 2.43 H new ATOM 0 HA CYS A 25 -8.815 -48.480 -13.512 1.00 54.02 H new ATOM 0 HB2 CYS A 25 -6.569 -48.283 -12.475 1.00 31.05 H new ATOM 0 HB3 CYS A 25 -6.090 -47.145 -13.718 1.00 31.05 H new ATOM 0 HG CYS A 25 -6.636 -45.691 -11.359 1.00 32.11 H new ATOM 380 N ILE A 26 -9.678 -46.555 -14.891 1.00 62.31 N ATOM 381 CA ILE A 26 -10.330 -45.614 -15.820 1.00 64.41 C ATOM 382 C ILE A 26 -11.099 -44.539 -15.014 1.00 32.23 C ATOM 383 O ILE A 26 -11.655 -44.829 -13.946 1.00 41.01 O ATOM 384 CB ILE A 26 -11.299 -46.386 -16.808 1.00 73.34 C ATOM 385 CG1 ILE A 26 -11.904 -45.436 -17.900 1.00 34.30 C ATOM 386 CG2 ILE A 26 -12.412 -47.132 -16.031 1.00 50.32 C ATOM 387 CD1 ILE A 26 -10.889 -44.851 -18.879 1.00 15.31 C ATOM 0 H ILE A 26 -10.234 -46.767 -14.063 1.00 62.31 H new ATOM 0 HA ILE A 26 -9.568 -45.121 -16.423 1.00 64.41 H new ATOM 0 HB ILE A 26 -10.699 -47.131 -17.331 1.00 73.34 H new ATOM 0 HG12 ILE A 26 -12.655 -45.988 -18.465 1.00 34.30 H new ATOM 0 HG13 ILE A 26 -12.420 -44.616 -17.401 1.00 34.30 H new ATOM 0 HG21 ILE A 26 -13.061 -47.652 -16.735 1.00 50.32 H new ATOM 0 HG22 ILE A 26 -11.960 -47.855 -15.352 1.00 50.32 H new ATOM 0 HG23 ILE A 26 -12.999 -46.414 -15.458 1.00 50.32 H new ATOM 0 HD11 ILE A 26 -11.402 -44.209 -19.595 1.00 15.31 H new ATOM 0 HD12 ILE A 26 -10.150 -44.266 -18.331 1.00 15.31 H new ATOM 0 HD13 ILE A 26 -10.389 -45.660 -19.411 1.00 15.31 H new ATOM 399 N GLY A 27 -11.098 -43.300 -15.525 1.00 41.23 N ATOM 400 CA GLY A 27 -11.809 -42.187 -14.894 1.00 54.32 C ATOM 401 C GLY A 27 -11.469 -40.857 -15.563 1.00 15.25 C ATOM 402 O GLY A 27 -10.713 -40.061 -14.992 1.00 70.23 O ATOM 0 H GLY A 27 -10.607 -43.045 -16.382 1.00 41.23 H new ATOM 0 HA2 GLY A 27 -12.884 -42.361 -14.951 1.00 54.32 H new ATOM 0 HA3 GLY A 27 -11.550 -42.141 -13.836 1.00 54.32 H new ATOM 406 N PRO A 28 -11.983 -40.592 -16.810 1.00 34.10 N ATOM 407 CA PRO A 28 -11.690 -39.347 -17.551 1.00 74.52 C ATOM 408 C PRO A 28 -12.446 -38.140 -16.962 1.00 41.11 C ATOM 409 O PRO A 28 -13.681 -38.152 -16.879 1.00 71.51 O ATOM 410 CB PRO A 28 -12.152 -39.663 -19.010 1.00 70.32 C ATOM 411 CG PRO A 28 -12.501 -41.133 -19.017 1.00 60.44 C ATOM 412 CD PRO A 28 -12.891 -41.463 -17.597 1.00 64.12 C ATOM 0 HA PRO A 28 -10.638 -39.068 -17.497 1.00 74.52 H new ATOM 0 HB2 PRO A 28 -13.012 -39.055 -19.289 1.00 70.32 H new ATOM 0 HB3 PRO A 28 -11.361 -39.445 -19.727 1.00 70.32 H new ATOM 0 HG2 PRO A 28 -13.320 -41.338 -19.706 1.00 60.44 H new ATOM 0 HG3 PRO A 28 -11.653 -41.736 -19.341 1.00 60.44 H new ATOM 0 HD2 PRO A 28 -13.940 -41.240 -17.401 1.00 64.12 H new ATOM 0 HD3 PRO A 28 -12.741 -42.518 -17.369 1.00 64.12 H new ATOM 420 N ASN A 29 -11.695 -37.105 -16.546 1.00 51.42 N ATOM 421 CA ASN A 29 -12.267 -35.874 -15.977 1.00 40.24 C ATOM 422 C ASN A 29 -12.582 -34.904 -17.133 1.00 70.14 C ATOM 423 O ASN A 29 -11.944 -33.857 -17.313 1.00 11.33 O ATOM 424 CB ASN A 29 -11.302 -35.241 -14.934 1.00 72.51 C ATOM 425 CG ASN A 29 -11.944 -34.124 -14.076 1.00 60.33 C ATOM 426 OD1 ASN A 29 -12.968 -33.538 -14.434 1.00 70.23 O ATOM 427 ND2 ASN A 29 -11.316 -33.784 -12.963 1.00 51.43 N ATOM 0 H ASN A 29 -10.676 -37.099 -16.595 1.00 51.42 H new ATOM 0 HA ASN A 29 -13.189 -36.103 -15.443 1.00 40.24 H new ATOM 0 HB2 ASN A 29 -10.933 -36.025 -14.273 1.00 72.51 H new ATOM 0 HB3 ASN A 29 -10.437 -34.832 -15.456 1.00 72.51 H new ATOM 0 HD21 ASN A 29 -11.678 -33.026 -12.385 1.00 51.43 H new ATOM 0 HD22 ASN A 29 -10.470 -34.280 -12.683 1.00 51.43 H new ATOM 434 N VAL A 30 -13.545 -35.323 -17.960 1.00 40.22 N ATOM 435 CA VAL A 30 -14.022 -34.561 -19.115 1.00 53.43 C ATOM 436 C VAL A 30 -14.774 -33.295 -18.646 1.00 62.11 C ATOM 437 O VAL A 30 -14.841 -32.305 -19.374 1.00 51.33 O ATOM 438 CB VAL A 30 -14.890 -35.486 -20.047 1.00 73.11 C ATOM 439 CG1 VAL A 30 -16.145 -36.023 -19.330 1.00 62.51 C ATOM 440 CG2 VAL A 30 -15.232 -34.792 -21.383 1.00 35.33 C ATOM 0 H VAL A 30 -14.022 -36.217 -17.842 1.00 40.22 H new ATOM 0 HA VAL A 30 -13.176 -34.217 -19.710 1.00 53.43 H new ATOM 0 HB VAL A 30 -14.279 -36.356 -20.289 1.00 73.11 H new ATOM 0 HG11 VAL A 30 -16.712 -36.656 -20.013 1.00 62.51 H new ATOM 0 HG12 VAL A 30 -15.845 -36.606 -18.459 1.00 62.51 H new ATOM 0 HG13 VAL A 30 -16.767 -35.187 -19.010 1.00 62.51 H new ATOM 0 HG21 VAL A 30 -15.832 -35.463 -21.998 1.00 35.33 H new ATOM 0 HG22 VAL A 30 -15.795 -33.880 -21.185 1.00 35.33 H new ATOM 0 HG23 VAL A 30 -14.311 -34.543 -21.910 1.00 35.33 H new ATOM 450 N LEU A 31 -15.308 -33.351 -17.403 1.00 31.14 N ATOM 451 CA LEU A 31 -15.989 -32.228 -16.725 1.00 44.05 C ATOM 452 C LEU A 31 -15.057 -30.997 -16.600 1.00 13.42 C ATOM 453 O LEU A 31 -15.487 -29.871 -16.866 1.00 5.43 O ATOM 454 CB LEU A 31 -16.495 -32.727 -15.330 1.00 25.22 C ATOM 455 CG LEU A 31 -17.534 -31.831 -14.552 1.00 35.24 C ATOM 456 CD1 LEU A 31 -18.261 -32.650 -13.466 1.00 44.40 C ATOM 457 CD2 LEU A 31 -16.894 -30.568 -13.918 1.00 62.11 C ATOM 0 H LEU A 31 -15.275 -34.197 -16.834 1.00 31.14 H new ATOM 0 HA LEU A 31 -16.843 -31.900 -17.318 1.00 44.05 H new ATOM 0 HB2 LEU A 31 -16.943 -33.711 -15.470 1.00 25.22 H new ATOM 0 HB3 LEU A 31 -15.624 -32.861 -14.688 1.00 25.22 H new ATOM 0 HG LEU A 31 -18.254 -31.489 -15.296 1.00 35.24 H new ATOM 0 HD11 LEU A 31 -18.972 -32.011 -12.943 1.00 44.40 H new ATOM 0 HD12 LEU A 31 -18.793 -33.480 -13.931 1.00 44.40 H new ATOM 0 HD13 LEU A 31 -17.532 -33.039 -12.755 1.00 44.40 H new ATOM 0 HD21 LEU A 31 -17.661 -29.994 -13.397 1.00 62.11 H new ATOM 0 HD22 LEU A 31 -16.122 -30.868 -13.210 1.00 62.11 H new ATOM 0 HD23 LEU A 31 -16.449 -29.953 -14.701 1.00 62.11 H new ATOM 469 N MET A 32 -13.792 -31.233 -16.199 1.00 34.44 N ATOM 470 CA MET A 32 -12.791 -30.157 -15.990 1.00 3.11 C ATOM 471 C MET A 32 -12.501 -29.412 -17.306 1.00 22.24 C ATOM 472 O MET A 32 -12.412 -28.175 -17.334 1.00 71.24 O ATOM 473 CB MET A 32 -11.484 -30.759 -15.405 1.00 73.20 C ATOM 474 CG MET A 32 -10.411 -29.735 -15.014 1.00 15.24 C ATOM 475 SD MET A 32 -8.892 -30.519 -14.427 1.00 50.23 S ATOM 476 CE MET A 32 -7.869 -29.092 -14.049 1.00 1.33 C ATOM 0 H MET A 32 -13.432 -32.169 -16.010 1.00 34.44 H new ATOM 0 HA MET A 32 -13.198 -29.437 -15.281 1.00 3.11 H new ATOM 0 HB2 MET A 32 -11.737 -31.350 -14.525 1.00 73.20 H new ATOM 0 HB3 MET A 32 -11.059 -31.445 -16.138 1.00 73.20 H new ATOM 0 HG2 MET A 32 -10.183 -29.105 -15.874 1.00 15.24 H new ATOM 0 HG3 MET A 32 -10.803 -29.081 -14.235 1.00 15.24 H new ATOM 0 HE1 MET A 32 -7.003 -29.409 -13.468 1.00 1.33 H new ATOM 0 HE2 MET A 32 -7.534 -28.629 -14.977 1.00 1.33 H new ATOM 0 HE3 MET A 32 -8.449 -28.371 -13.472 1.00 1.33 H new ATOM 486 N VAL A 33 -12.388 -30.194 -18.391 1.00 11.42 N ATOM 487 CA VAL A 33 -12.165 -29.671 -19.751 1.00 71.13 C ATOM 488 C VAL A 33 -13.424 -28.925 -20.250 1.00 60.35 C ATOM 489 O VAL A 33 -13.329 -27.861 -20.864 1.00 22.32 O ATOM 490 CB VAL A 33 -11.793 -30.839 -20.741 1.00 10.21 C ATOM 491 CG1 VAL A 33 -11.472 -30.312 -22.161 1.00 4.25 C ATOM 492 CG2 VAL A 33 -10.624 -31.689 -20.178 1.00 2.34 C ATOM 0 H VAL A 33 -12.449 -31.211 -18.351 1.00 11.42 H new ATOM 0 HA VAL A 33 -11.331 -28.970 -19.719 1.00 71.13 H new ATOM 0 HB VAL A 33 -12.668 -31.483 -20.830 1.00 10.21 H new ATOM 0 HG11 VAL A 33 -11.221 -31.150 -22.812 1.00 4.25 H new ATOM 0 HG12 VAL A 33 -12.342 -29.790 -22.561 1.00 4.25 H new ATOM 0 HG13 VAL A 33 -10.627 -29.625 -22.112 1.00 4.25 H new ATOM 0 HG21 VAL A 33 -10.385 -32.489 -20.879 1.00 2.34 H new ATOM 0 HG22 VAL A 33 -9.748 -31.056 -20.038 1.00 2.34 H new ATOM 0 HG23 VAL A 33 -10.916 -32.121 -19.221 1.00 2.34 H new ATOM 502 N HIS A 34 -14.601 -29.484 -19.924 1.00 63.41 N ATOM 503 CA HIS A 34 -15.917 -28.942 -20.327 1.00 53.32 C ATOM 504 C HIS A 34 -16.204 -27.597 -19.634 1.00 63.45 C ATOM 505 O HIS A 34 -16.902 -26.737 -20.185 1.00 73.35 O ATOM 506 CB HIS A 34 -17.019 -29.977 -19.989 1.00 3.31 C ATOM 507 CG HIS A 34 -18.421 -29.561 -20.350 1.00 34.44 C ATOM 508 ND1 HIS A 34 -18.992 -29.815 -21.576 1.00 65.25 N ATOM 509 CD2 HIS A 34 -19.378 -28.934 -19.625 1.00 54.23 C ATOM 510 CE1 HIS A 34 -20.228 -29.363 -21.587 1.00 73.32 C ATOM 511 NE2 HIS A 34 -20.487 -28.825 -20.415 1.00 51.30 N ATOM 0 H HIS A 34 -14.670 -30.335 -19.367 1.00 63.41 H new ATOM 0 HA HIS A 34 -15.908 -28.758 -21.401 1.00 53.32 H new ATOM 0 HB2 HIS A 34 -16.790 -30.910 -20.504 1.00 3.31 H new ATOM 0 HB3 HIS A 34 -16.983 -30.186 -18.920 1.00 3.31 H new ATOM 0 HD2 HIS A 34 -19.282 -28.584 -18.608 1.00 54.23 H new ATOM 0 HE1 HIS A 34 -20.914 -29.424 -22.419 1.00 73.32 H new ATOM 0 HE2 HIS A 34 -21.371 -28.397 -20.141 1.00 51.30 H new ATOM 520 N LYS A 35 -15.651 -27.434 -18.422 1.00 41.33 N ATOM 521 CA LYS A 35 -15.816 -26.216 -17.613 1.00 41.11 C ATOM 522 C LYS A 35 -15.106 -25.018 -18.279 1.00 32.12 C ATOM 523 O LYS A 35 -15.511 -23.870 -18.096 1.00 62.31 O ATOM 524 CB LYS A 35 -15.281 -26.467 -16.176 1.00 4.13 C ATOM 525 CG LYS A 35 -15.571 -25.338 -15.153 1.00 5.33 C ATOM 526 CD LYS A 35 -17.079 -25.074 -14.918 1.00 32.22 C ATOM 527 CE LYS A 35 -17.828 -26.283 -14.325 1.00 34.22 C ATOM 528 NZ LYS A 35 -17.308 -26.682 -12.986 1.00 42.32 N ATOM 0 H LYS A 35 -15.075 -28.146 -17.974 1.00 41.33 H new ATOM 0 HA LYS A 35 -16.876 -25.969 -17.548 1.00 41.11 H new ATOM 0 HB2 LYS A 35 -15.715 -27.394 -15.801 1.00 4.13 H new ATOM 0 HB3 LYS A 35 -14.203 -26.618 -16.229 1.00 4.13 H new ATOM 0 HG2 LYS A 35 -15.105 -25.595 -14.202 1.00 5.33 H new ATOM 0 HG3 LYS A 35 -15.101 -24.418 -15.500 1.00 5.33 H new ATOM 0 HD2 LYS A 35 -17.191 -24.222 -14.247 1.00 32.22 H new ATOM 0 HD3 LYS A 35 -17.543 -24.797 -15.864 1.00 32.22 H new ATOM 0 HE2 LYS A 35 -18.888 -26.043 -14.242 1.00 34.22 H new ATOM 0 HE3 LYS A 35 -17.745 -27.128 -15.009 1.00 34.22 H new ATOM 0 HZ1 LYS A 35 -17.890 -27.455 -12.604 1.00 42.32 H new ATOM 0 HZ2 LYS A 35 -16.323 -27.003 -13.078 1.00 42.32 H new ATOM 0 HZ3 LYS A 35 -17.348 -25.867 -12.341 1.00 42.32 H new ATOM 542 N ARG A 36 -14.055 -25.312 -19.068 1.00 31.21 N ATOM 543 CA ARG A 36 -13.296 -24.300 -19.831 1.00 44.01 C ATOM 544 C ARG A 36 -14.160 -23.690 -20.963 1.00 13.04 C ATOM 545 O ARG A 36 -13.923 -22.556 -21.394 1.00 63.42 O ATOM 546 CB ARG A 36 -12.013 -24.945 -20.411 1.00 63.24 C ATOM 547 CG ARG A 36 -11.109 -25.627 -19.356 1.00 23.10 C ATOM 548 CD ARG A 36 -10.458 -24.628 -18.378 1.00 32.03 C ATOM 549 NE ARG A 36 -9.679 -25.307 -17.326 1.00 14.31 N ATOM 550 CZ ARG A 36 -8.409 -25.738 -17.447 1.00 31.30 C ATOM 551 NH1 ARG A 36 -7.724 -25.579 -18.579 1.00 23.10 N ATOM 552 NH2 ARG A 36 -7.826 -26.336 -16.417 1.00 71.14 N ATOM 0 H ARG A 36 -13.706 -26.262 -19.195 1.00 31.21 H new ATOM 0 HA ARG A 36 -13.018 -23.490 -19.157 1.00 44.01 H new ATOM 0 HB2 ARG A 36 -12.299 -25.684 -21.160 1.00 63.24 H new ATOM 0 HB3 ARG A 36 -11.435 -24.177 -20.925 1.00 63.24 H new ATOM 0 HG2 ARG A 36 -11.701 -26.346 -18.790 1.00 23.10 H new ATOM 0 HG3 ARG A 36 -10.326 -26.189 -19.866 1.00 23.10 H new ATOM 0 HD2 ARG A 36 -9.806 -23.952 -18.932 1.00 32.03 H new ATOM 0 HD3 ARG A 36 -11.233 -24.016 -17.916 1.00 32.03 H new ATOM 0 HE ARG A 36 -10.142 -25.464 -16.430 1.00 14.31 H new ATOM 0 HH11 ARG A 36 -8.161 -25.122 -19.379 1.00 23.10 H new ATOM 0 HH12 ARG A 36 -6.763 -25.914 -18.645 1.00 23.10 H new ATOM 0 HH21 ARG A 36 -8.339 -26.465 -15.545 1.00 71.14 H new ATOM 0 HH22 ARG A 36 -6.864 -26.667 -16.497 1.00 71.14 H new ATOM 566 N SER A 37 -15.164 -24.459 -21.435 1.00 63.44 N ATOM 567 CA SER A 37 -16.153 -23.973 -22.416 1.00 74.10 C ATOM 568 C SER A 37 -17.131 -22.998 -21.736 1.00 73.13 C ATOM 569 O SER A 37 -17.536 -21.994 -22.332 1.00 35.12 O ATOM 570 CB SER A 37 -16.913 -25.159 -23.043 1.00 3.45 C ATOM 571 OG SER A 37 -17.783 -24.737 -24.082 1.00 4.34 O ATOM 0 H SER A 37 -15.310 -25.427 -21.148 1.00 63.44 H new ATOM 0 HA SER A 37 -15.632 -23.443 -23.213 1.00 74.10 H new ATOM 0 HB2 SER A 37 -16.198 -25.881 -23.438 1.00 3.45 H new ATOM 0 HB3 SER A 37 -17.489 -25.670 -22.272 1.00 3.45 H new ATOM 0 HG SER A 37 -18.246 -25.515 -24.457 1.00 4.34 H new ATOM 577 N HIS A 38 -17.490 -23.311 -20.475 1.00 72.15 N ATOM 578 CA HIS A 38 -18.326 -22.437 -19.631 1.00 14.00 C ATOM 579 C HIS A 38 -17.586 -21.125 -19.314 1.00 52.12 C ATOM 580 O HIS A 38 -18.222 -20.077 -19.187 1.00 43.11 O ATOM 581 CB HIS A 38 -18.728 -23.167 -18.327 1.00 71.12 C ATOM 582 CG HIS A 38 -19.580 -22.342 -17.390 1.00 53.40 C ATOM 583 ND1 HIS A 38 -19.117 -21.831 -16.195 1.00 12.53 N ATOM 584 CD2 HIS A 38 -20.874 -21.943 -17.480 1.00 12.24 C ATOM 585 CE1 HIS A 38 -20.083 -21.163 -15.600 1.00 23.32 C ATOM 586 NE2 HIS A 38 -21.154 -21.214 -16.357 1.00 33.43 N ATOM 0 H HIS A 38 -17.208 -24.176 -20.014 1.00 72.15 H new ATOM 0 HA HIS A 38 -19.235 -22.192 -20.181 1.00 14.00 H new ATOM 0 HB2 HIS A 38 -19.270 -24.077 -18.586 1.00 71.12 H new ATOM 0 HB3 HIS A 38 -17.823 -23.473 -17.802 1.00 71.12 H new ATOM 0 HD2 HIS A 38 -21.556 -22.161 -18.288 1.00 12.24 H new ATOM 0 HE1 HIS A 38 -20.007 -20.658 -14.649 1.00 23.32 H new ATOM 0 HE2 HIS A 38 -22.052 -20.780 -16.142 1.00 33.43 H new ATOM 595 N THR A 39 -16.247 -21.212 -19.183 1.00 74.53 N ATOM 596 CA THR A 39 -15.375 -20.046 -18.973 1.00 11.30 C ATOM 597 C THR A 39 -15.480 -19.074 -20.162 1.00 74.22 C ATOM 598 O THR A 39 -15.837 -17.900 -19.984 1.00 22.33 O ATOM 599 CB THR A 39 -13.881 -20.490 -18.786 1.00 54.33 C ATOM 600 OG1 THR A 39 -13.790 -21.480 -17.747 1.00 42.31 O ATOM 601 CG2 THR A 39 -12.949 -19.310 -18.449 1.00 53.43 C ATOM 0 H THR A 39 -15.742 -22.097 -19.220 1.00 74.53 H new ATOM 0 HA THR A 39 -15.706 -19.540 -18.066 1.00 11.30 H new ATOM 0 HB THR A 39 -13.553 -20.907 -19.738 1.00 54.33 H new ATOM 0 HG1 THR A 39 -14.332 -22.260 -17.990 1.00 42.31 H new ATOM 0 HG21 THR A 39 -11.929 -19.675 -18.331 1.00 53.43 H new ATOM 0 HG22 THR A 39 -12.982 -18.579 -19.256 1.00 53.43 H new ATOM 0 HG23 THR A 39 -13.277 -18.841 -17.521 1.00 53.43 H new ATOM 609 N GLY A 40 -15.197 -19.602 -21.373 1.00 45.25 N ATOM 610 CA GLY A 40 -15.175 -18.804 -22.592 1.00 43.32 C ATOM 611 C GLY A 40 -14.038 -17.794 -22.595 1.00 71.31 C ATOM 612 O GLY A 40 -12.959 -18.061 -23.132 1.00 13.12 O ATOM 0 H GLY A 40 -14.980 -20.588 -21.520 1.00 45.25 H new ATOM 0 HA2 GLY A 40 -15.076 -19.463 -23.454 1.00 43.32 H new ATOM 0 HA3 GLY A 40 -16.125 -18.280 -22.699 1.00 43.32 H new ATOM 616 N GLU A 41 -14.290 -16.640 -21.966 1.00 73.54 N ATOM 617 CA GLU A 41 -13.302 -15.569 -21.791 1.00 20.42 C ATOM 618 C GLU A 41 -12.226 -15.988 -20.774 1.00 3.12 C ATOM 619 O GLU A 41 -12.525 -16.178 -19.589 1.00 62.52 O ATOM 620 CB GLU A 41 -14.019 -14.274 -21.323 1.00 23.22 C ATOM 621 CG GLU A 41 -15.004 -13.691 -22.354 1.00 74.42 C ATOM 622 CD GLU A 41 -15.886 -12.578 -21.776 1.00 2.25 C ATOM 623 OE1 GLU A 41 -15.436 -11.413 -21.724 1.00 13.34 O ATOM 624 OE2 GLU A 41 -17.039 -12.864 -21.383 1.00 14.11 O ATOM 0 H GLU A 41 -15.199 -16.421 -21.558 1.00 73.54 H new ATOM 0 HA GLU A 41 -12.809 -15.379 -22.745 1.00 20.42 H new ATOM 0 HB2 GLU A 41 -14.559 -14.484 -20.400 1.00 23.22 H new ATOM 0 HB3 GLU A 41 -13.267 -13.520 -21.088 1.00 23.22 H new ATOM 0 HG2 GLU A 41 -14.444 -13.299 -23.203 1.00 74.42 H new ATOM 0 HG3 GLU A 41 -15.640 -14.491 -22.734 1.00 74.42 H new ATOM 631 N ARG A 42 -10.991 -16.150 -21.256 1.00 25.24 N ATOM 632 CA ARG A 42 -9.825 -16.488 -20.417 1.00 42.42 C ATOM 633 C ARG A 42 -8.873 -15.271 -20.360 1.00 55.41 C ATOM 634 O ARG A 42 -8.924 -14.414 -21.254 1.00 44.24 O ATOM 635 CB ARG A 42 -9.092 -17.728 -21.004 1.00 13.20 C ATOM 636 CG ARG A 42 -8.501 -17.513 -22.412 1.00 21.44 C ATOM 637 CD ARG A 42 -7.827 -18.769 -22.973 1.00 62.14 C ATOM 638 NE ARG A 42 -8.761 -19.910 -23.066 1.00 34.02 N ATOM 639 CZ ARG A 42 -8.394 -21.202 -23.101 1.00 35.31 C ATOM 640 NH1 ARG A 42 -7.108 -21.545 -23.040 1.00 74.33 N ATOM 641 NH2 ARG A 42 -9.325 -22.148 -23.162 1.00 44.12 N ATOM 0 H ARG A 42 -10.764 -16.051 -22.246 1.00 25.24 H new ATOM 0 HA ARG A 42 -10.155 -16.731 -19.407 1.00 42.42 H new ATOM 0 HB2 ARG A 42 -8.288 -18.014 -20.326 1.00 13.20 H new ATOM 0 HB3 ARG A 42 -9.791 -18.564 -21.041 1.00 13.20 H new ATOM 0 HG2 ARG A 42 -9.295 -17.199 -23.090 1.00 21.44 H new ATOM 0 HG3 ARG A 42 -7.774 -16.702 -22.375 1.00 21.44 H new ATOM 0 HD2 ARG A 42 -7.423 -18.551 -23.962 1.00 62.14 H new ATOM 0 HD3 ARG A 42 -6.985 -19.042 -22.337 1.00 62.14 H new ATOM 0 HE ARG A 42 -9.759 -19.701 -23.107 1.00 34.02 H new ATOM 0 HH11 ARG A 42 -6.391 -20.824 -22.966 1.00 74.33 H new ATOM 0 HH12 ARG A 42 -6.841 -22.529 -23.067 1.00 74.33 H new ATOM 0 HH21 ARG A 42 -10.312 -21.892 -23.182 1.00 44.12 H new ATOM 0 HH22 ARG A 42 -9.053 -23.131 -23.189 1.00 44.12 H new ATOM 655 N PRO A 43 -8.013 -15.144 -19.296 1.00 71.24 N ATOM 656 CA PRO A 43 -6.938 -14.130 -19.282 1.00 41.52 C ATOM 657 C PRO A 43 -5.927 -14.394 -20.415 1.00 35.03 C ATOM 658 O PRO A 43 -5.217 -15.407 -20.409 1.00 74.42 O ATOM 659 CB PRO A 43 -6.286 -14.287 -17.880 1.00 35.55 C ATOM 660 CG PRO A 43 -7.323 -14.997 -17.056 1.00 1.52 C ATOM 661 CD PRO A 43 -8.038 -15.918 -18.023 1.00 72.31 C ATOM 0 HA PRO A 43 -7.306 -13.117 -19.448 1.00 41.52 H new ATOM 0 HB2 PRO A 43 -5.362 -14.862 -17.935 1.00 35.55 H new ATOM 0 HB3 PRO A 43 -6.033 -13.318 -17.450 1.00 35.55 H new ATOM 0 HG2 PRO A 43 -6.863 -15.560 -16.244 1.00 1.52 H new ATOM 0 HG3 PRO A 43 -8.016 -14.290 -16.601 1.00 1.52 H new ATOM 0 HD2 PRO A 43 -7.527 -16.876 -18.122 1.00 72.31 H new ATOM 0 HD3 PRO A 43 -9.057 -16.132 -17.700 1.00 72.31 H new ATOM 669 N PHE A 44 -5.932 -13.513 -21.418 1.00 41.25 N ATOM 670 CA PHE A 44 -5.033 -13.594 -22.574 1.00 61.33 C ATOM 671 C PHE A 44 -3.602 -13.199 -22.157 1.00 41.34 C ATOM 672 O PHE A 44 -3.192 -12.042 -22.284 1.00 10.02 O ATOM 673 CB PHE A 44 -5.575 -12.691 -23.712 1.00 63.45 C ATOM 674 CG PHE A 44 -7.007 -13.022 -24.117 1.00 2.42 C ATOM 675 CD1 PHE A 44 -7.295 -14.197 -24.810 1.00 42.42 C ATOM 676 CD2 PHE A 44 -8.063 -12.183 -23.773 1.00 44.33 C ATOM 677 CE1 PHE A 44 -8.595 -14.511 -25.156 1.00 14.53 C ATOM 678 CE2 PHE A 44 -9.361 -12.499 -24.115 1.00 31.45 C ATOM 679 CZ PHE A 44 -9.628 -13.664 -24.803 1.00 60.22 C ATOM 0 H PHE A 44 -6.566 -12.715 -21.452 1.00 41.25 H new ATOM 0 HA PHE A 44 -4.994 -14.618 -22.946 1.00 61.33 H new ATOM 0 HB2 PHE A 44 -5.527 -11.650 -23.394 1.00 63.45 H new ATOM 0 HB3 PHE A 44 -4.927 -12.788 -24.583 1.00 63.45 H new ATOM 0 HD1 PHE A 44 -6.493 -14.869 -25.079 1.00 42.42 H new ATOM 0 HD2 PHE A 44 -7.863 -11.271 -23.230 1.00 44.33 H new ATOM 0 HE1 PHE A 44 -8.804 -15.419 -25.703 1.00 14.53 H new ATOM 0 HE2 PHE A 44 -10.168 -11.834 -23.844 1.00 31.45 H new ATOM 0 HZ PHE A 44 -10.645 -13.914 -25.066 1.00 60.22 H new ATOM 689 N HIS A 45 -2.864 -14.182 -21.625 1.00 53.41 N ATOM 690 CA HIS A 45 -1.533 -13.960 -21.053 1.00 14.31 C ATOM 691 C HIS A 45 -0.459 -14.118 -22.128 1.00 53.45 C ATOM 692 O HIS A 45 -0.401 -15.129 -22.834 1.00 11.22 O ATOM 693 CB HIS A 45 -1.286 -14.956 -19.890 1.00 14.41 C ATOM 694 CG HIS A 45 0.017 -14.761 -19.153 1.00 2.45 C ATOM 695 ND1 HIS A 45 1.201 -15.343 -19.552 1.00 1.33 N ATOM 696 CD2 HIS A 45 0.312 -14.061 -18.035 1.00 11.31 C ATOM 697 CE1 HIS A 45 2.157 -15.007 -18.713 1.00 54.43 C ATOM 698 NE2 HIS A 45 1.642 -14.232 -17.785 1.00 21.42 N ATOM 0 H HIS A 45 -3.174 -15.153 -21.580 1.00 53.41 H new ATOM 0 HA HIS A 45 -1.481 -12.943 -20.663 1.00 14.31 H new ATOM 0 HB2 HIS A 45 -2.106 -14.871 -19.177 1.00 14.41 H new ATOM 0 HB3 HIS A 45 -1.314 -15.971 -20.288 1.00 14.41 H new ATOM 0 HD1 HIS A 45 1.318 -15.941 -20.370 1.00 1.33 H new ATOM 0 HD2 HIS A 45 -0.379 -13.474 -17.448 1.00 11.31 H new ATOM 0 HE1 HIS A 45 3.190 -15.316 -18.776 1.00 54.43 H new ATOM 707 N CYS A 46 0.359 -13.074 -22.262 1.00 20.00 N ATOM 708 CA CYS A 46 1.576 -13.117 -23.055 1.00 12.34 C ATOM 709 C CYS A 46 2.623 -14.012 -22.370 1.00 11.50 C ATOM 710 O CYS A 46 3.359 -13.549 -21.478 1.00 34.01 O ATOM 711 CB CYS A 46 2.130 -11.700 -23.237 1.00 54.24 C ATOM 712 SG CYS A 46 3.770 -11.631 -24.033 1.00 22.20 S ATOM 0 H CYS A 46 0.190 -12.171 -21.818 1.00 20.00 H new ATOM 0 HA CYS A 46 1.346 -13.536 -24.035 1.00 12.34 H new ATOM 0 HB2 CYS A 46 1.425 -11.121 -23.833 1.00 54.24 H new ATOM 0 HB3 CYS A 46 2.192 -11.219 -22.261 1.00 54.24 H new ATOM 717 N ASN A 47 2.634 -15.306 -22.753 1.00 31.54 N ATOM 718 CA ASN A 47 3.600 -16.314 -22.259 1.00 31.20 C ATOM 719 C ASN A 47 5.001 -16.044 -22.841 1.00 21.13 C ATOM 720 O ASN A 47 5.475 -16.770 -23.719 1.00 11.42 O ATOM 721 CB ASN A 47 3.121 -17.759 -22.619 1.00 63.01 C ATOM 722 CG ASN A 47 1.813 -18.198 -21.935 1.00 63.42 C ATOM 723 OD1 ASN A 47 0.934 -17.390 -21.648 1.00 54.51 O ATOM 724 ND2 ASN A 47 1.680 -19.486 -21.667 1.00 4.51 N ATOM 0 H ASN A 47 1.965 -15.686 -23.422 1.00 31.54 H new ATOM 0 HA ASN A 47 3.657 -16.236 -21.173 1.00 31.20 H new ATOM 0 HB2 ASN A 47 2.989 -17.824 -23.699 1.00 63.01 H new ATOM 0 HB3 ASN A 47 3.908 -18.464 -22.352 1.00 63.01 H new ATOM 0 HD21 ASN A 47 0.833 -19.828 -21.212 1.00 4.51 H new ATOM 0 HD22 ASN A 47 2.424 -20.138 -21.915 1.00 4.51 H new ATOM 731 N GLN A 48 5.649 -14.975 -22.344 1.00 42.32 N ATOM 732 CA GLN A 48 6.978 -14.544 -22.822 1.00 71.32 C ATOM 733 C GLN A 48 7.529 -13.412 -21.939 1.00 3.44 C ATOM 734 O GLN A 48 8.714 -13.400 -21.586 1.00 64.34 O ATOM 735 CB GLN A 48 6.909 -14.089 -24.315 1.00 33.32 C ATOM 736 CG GLN A 48 8.285 -13.906 -24.993 1.00 60.23 C ATOM 737 CD GLN A 48 9.134 -15.184 -25.068 1.00 34.14 C ATOM 738 OE1 GLN A 48 10.365 -15.132 -25.000 1.00 22.22 O ATOM 739 NE2 GLN A 48 8.502 -16.338 -25.257 1.00 2.02 N ATOM 0 H GLN A 48 5.269 -14.387 -21.602 1.00 42.32 H new ATOM 0 HA GLN A 48 7.656 -15.395 -22.755 1.00 71.32 H new ATOM 0 HB2 GLN A 48 6.335 -14.824 -24.879 1.00 33.32 H new ATOM 0 HB3 GLN A 48 6.363 -13.147 -24.370 1.00 33.32 H new ATOM 0 HG2 GLN A 48 8.130 -13.528 -26.004 1.00 60.23 H new ATOM 0 HG3 GLN A 48 8.845 -13.145 -24.450 1.00 60.23 H new ATOM 0 HE21 GLN A 48 7.484 -16.359 -25.310 1.00 2.02 H new ATOM 0 HE22 GLN A 48 9.035 -17.203 -25.349 1.00 2.02 H new ATOM 748 N CYS A 49 6.654 -12.454 -21.598 1.00 11.22 N ATOM 749 CA CYS A 49 7.016 -11.275 -20.770 1.00 10.54 C ATOM 750 C CYS A 49 6.391 -11.346 -19.370 1.00 4.53 C ATOM 751 O CYS A 49 6.903 -10.721 -18.434 1.00 15.12 O ATOM 752 CB CYS A 49 6.552 -9.988 -21.471 1.00 60.41 C ATOM 753 SG CYS A 49 4.800 -9.997 -21.942 1.00 5.23 S ATOM 0 H CYS A 49 5.675 -12.467 -21.884 1.00 11.22 H new ATOM 0 HA CYS A 49 8.100 -11.272 -20.655 1.00 10.54 H new ATOM 0 HB2 CYS A 49 6.736 -9.140 -20.811 1.00 60.41 H new ATOM 0 HB3 CYS A 49 7.157 -9.834 -22.364 1.00 60.41 H new ATOM 758 N GLY A 50 5.265 -12.077 -19.240 1.00 5.44 N ATOM 759 CA GLY A 50 4.558 -12.206 -17.954 1.00 41.25 C ATOM 760 C GLY A 50 3.336 -11.301 -17.852 1.00 30.21 C ATOM 761 O GLY A 50 2.596 -11.369 -16.867 1.00 63.42 O ATOM 0 H GLY A 50 4.828 -12.585 -20.009 1.00 5.44 H new ATOM 0 HA2 GLY A 50 4.248 -13.242 -17.819 1.00 41.25 H new ATOM 0 HA3 GLY A 50 5.246 -11.971 -17.142 1.00 41.25 H new ATOM 765 N ALA A 51 3.137 -10.446 -18.864 1.00 62.51 N ATOM 766 CA ALA A 51 1.956 -9.578 -18.957 1.00 15.23 C ATOM 767 C ALA A 51 0.701 -10.411 -19.278 1.00 52.02 C ATOM 768 O ALA A 51 0.759 -11.341 -20.086 1.00 31.52 O ATOM 769 CB ALA A 51 2.182 -8.492 -20.023 1.00 4.34 C ATOM 0 H ALA A 51 3.790 -10.337 -19.640 1.00 62.51 H new ATOM 0 HA ALA A 51 1.800 -9.089 -17.995 1.00 15.23 H new ATOM 0 HB1 ALA A 51 1.301 -7.854 -20.084 1.00 4.34 H new ATOM 0 HB2 ALA A 51 3.048 -7.889 -19.750 1.00 4.34 H new ATOM 0 HB3 ALA A 51 2.357 -8.963 -20.990 1.00 4.34 H new ATOM 775 N SER A 52 -0.419 -10.072 -18.627 1.00 35.25 N ATOM 776 CA SER A 52 -1.711 -10.754 -18.820 1.00 73.43 C ATOM 777 C SER A 52 -2.768 -9.723 -19.220 1.00 2.44 C ATOM 778 O SER A 52 -2.808 -8.623 -18.658 1.00 34.22 O ATOM 779 CB SER A 52 -2.136 -11.483 -17.525 1.00 13.51 C ATOM 780 OG SER A 52 -3.299 -12.271 -17.739 1.00 22.13 O ATOM 0 H SER A 52 -0.457 -9.313 -17.947 1.00 35.25 H new ATOM 0 HA SER A 52 -1.611 -11.498 -19.611 1.00 73.43 H new ATOM 0 HB2 SER A 52 -1.321 -12.119 -17.178 1.00 13.51 H new ATOM 0 HB3 SER A 52 -2.328 -10.752 -16.739 1.00 13.51 H new ATOM 0 HG SER A 52 -3.546 -12.723 -16.905 1.00 22.13 H new ATOM 786 N PHE A 53 -3.618 -10.082 -20.194 1.00 11.42 N ATOM 787 CA PHE A 53 -4.640 -9.169 -20.744 1.00 12.40 C ATOM 788 C PHE A 53 -6.024 -9.815 -20.680 1.00 23.11 C ATOM 789 O PHE A 53 -6.160 -11.002 -20.401 1.00 50.42 O ATOM 790 CB PHE A 53 -4.284 -8.790 -22.211 1.00 61.10 C ATOM 791 CG PHE A 53 -2.891 -8.175 -22.356 1.00 12.54 C ATOM 792 CD1 PHE A 53 -2.663 -6.840 -22.012 1.00 52.21 C ATOM 793 CD2 PHE A 53 -1.806 -8.937 -22.800 1.00 54.13 C ATOM 794 CE1 PHE A 53 -1.399 -6.288 -22.115 1.00 71.42 C ATOM 795 CE2 PHE A 53 -0.545 -8.381 -22.897 1.00 73.11 C ATOM 796 CZ PHE A 53 -0.346 -7.057 -22.555 1.00 43.43 C ATOM 0 H PHE A 53 -3.619 -11.007 -20.623 1.00 11.42 H new ATOM 0 HA PHE A 53 -4.658 -8.260 -20.142 1.00 12.40 H new ATOM 0 HB2 PHE A 53 -4.347 -9.682 -22.835 1.00 61.10 H new ATOM 0 HB3 PHE A 53 -5.026 -8.085 -22.587 1.00 61.10 H new ATOM 0 HD1 PHE A 53 -3.484 -6.232 -21.661 1.00 52.21 H new ATOM 0 HD2 PHE A 53 -1.955 -9.972 -23.070 1.00 54.13 H new ATOM 0 HE1 PHE A 53 -1.238 -5.253 -21.850 1.00 71.42 H new ATOM 0 HE2 PHE A 53 0.285 -8.981 -23.240 1.00 73.11 H new ATOM 0 HZ PHE A 53 0.640 -6.624 -22.633 1.00 43.43 H new ATOM 806 N THR A 54 -7.049 -8.998 -20.907 1.00 42.41 N ATOM 807 CA THR A 54 -8.436 -9.461 -21.088 1.00 60.04 C ATOM 808 C THR A 54 -8.946 -8.996 -22.467 1.00 15.31 C ATOM 809 O THR A 54 -10.062 -9.334 -22.873 1.00 11.34 O ATOM 810 CB THR A 54 -9.362 -8.946 -19.927 1.00 53.02 C ATOM 811 OG1 THR A 54 -10.677 -9.529 -20.013 1.00 70.45 O ATOM 812 CG2 THR A 54 -9.483 -7.411 -19.914 1.00 3.24 C ATOM 0 H THR A 54 -6.947 -7.985 -20.972 1.00 42.41 H new ATOM 0 HA THR A 54 -8.461 -10.550 -21.050 1.00 60.04 H new ATOM 0 HB THR A 54 -8.888 -9.258 -18.996 1.00 53.02 H new ATOM 0 HG1 THR A 54 -10.917 -9.658 -20.954 1.00 70.45 H new ATOM 0 HG21 THR A 54 -10.133 -7.104 -19.094 1.00 3.24 H new ATOM 0 HG22 THR A 54 -8.496 -6.969 -19.779 1.00 3.24 H new ATOM 0 HG23 THR A 54 -9.906 -7.071 -20.859 1.00 3.24 H new ATOM 820 N GLN A 55 -8.088 -8.246 -23.196 1.00 51.33 N ATOM 821 CA GLN A 55 -8.411 -7.682 -24.517 1.00 52.33 C ATOM 822 C GLN A 55 -7.565 -8.354 -25.608 1.00 0.23 C ATOM 823 O GLN A 55 -6.333 -8.338 -25.531 1.00 13.00 O ATOM 824 CB GLN A 55 -8.154 -6.151 -24.515 1.00 14.01 C ATOM 825 CG GLN A 55 -8.980 -5.357 -23.483 1.00 11.12 C ATOM 826 CD GLN A 55 -10.489 -5.540 -23.659 1.00 5.14 C ATOM 827 OE1 GLN A 55 -11.100 -6.420 -23.049 1.00 14.05 O ATOM 828 NE2 GLN A 55 -11.095 -4.728 -24.513 1.00 23.44 N ATOM 0 H GLN A 55 -7.147 -8.016 -22.877 1.00 51.33 H new ATOM 0 HA GLN A 55 -9.464 -7.868 -24.729 1.00 52.33 H new ATOM 0 HB2 GLN A 55 -7.095 -5.975 -24.325 1.00 14.01 H new ATOM 0 HB3 GLN A 55 -8.368 -5.760 -25.509 1.00 14.01 H new ATOM 0 HG2 GLN A 55 -8.696 -5.671 -22.479 1.00 11.12 H new ATOM 0 HG3 GLN A 55 -8.735 -4.298 -23.567 1.00 11.12 H new ATOM 0 HE21 GLN A 55 -10.560 -4.010 -25.001 1.00 23.44 H new ATOM 0 HE22 GLN A 55 -12.097 -4.821 -24.682 1.00 23.44 H new ATOM 837 N LYS A 56 -8.245 -8.941 -26.610 1.00 21.54 N ATOM 838 CA LYS A 56 -7.597 -9.511 -27.805 1.00 1.21 C ATOM 839 C LYS A 56 -7.043 -8.406 -28.706 1.00 31.23 C ATOM 840 O LYS A 56 -6.062 -8.620 -29.403 1.00 13.21 O ATOM 841 CB LYS A 56 -8.586 -10.400 -28.598 1.00 63.42 C ATOM 842 CG LYS A 56 -8.951 -11.717 -27.885 1.00 62.43 C ATOM 843 CD LYS A 56 -10.017 -12.534 -28.652 1.00 31.12 C ATOM 844 CE LYS A 56 -11.390 -11.836 -28.707 1.00 43.40 C ATOM 845 NZ LYS A 56 -12.397 -12.645 -29.458 1.00 44.34 N ATOM 0 H LYS A 56 -9.261 -9.033 -26.614 1.00 21.54 H new ATOM 0 HA LYS A 56 -6.766 -10.131 -27.468 1.00 1.21 H new ATOM 0 HB2 LYS A 56 -9.499 -9.834 -28.785 1.00 63.42 H new ATOM 0 HB3 LYS A 56 -8.151 -10.633 -29.570 1.00 63.42 H new ATOM 0 HG2 LYS A 56 -8.052 -12.322 -27.765 1.00 62.43 H new ATOM 0 HG3 LYS A 56 -9.321 -11.494 -26.884 1.00 62.43 H new ATOM 0 HD2 LYS A 56 -9.666 -12.714 -29.668 1.00 31.12 H new ATOM 0 HD3 LYS A 56 -10.130 -13.509 -28.177 1.00 31.12 H new ATOM 0 HE2 LYS A 56 -11.749 -11.660 -27.693 1.00 43.40 H new ATOM 0 HE3 LYS A 56 -11.282 -10.860 -29.180 1.00 43.40 H new ATOM 0 HZ1 LYS A 56 -13.307 -12.141 -29.472 1.00 44.34 H new ATOM 0 HZ2 LYS A 56 -12.067 -12.791 -30.433 1.00 44.34 H new ATOM 0 HZ3 LYS A 56 -12.519 -13.567 -28.992 1.00 44.34 H new ATOM 859 N GLY A 57 -7.680 -7.226 -28.686 1.00 3.12 N ATOM 860 CA GLY A 57 -7.188 -6.076 -29.442 1.00 52.12 C ATOM 861 C GLY A 57 -5.795 -5.646 -28.977 1.00 3.52 C ATOM 862 O GLY A 57 -4.951 -5.238 -29.784 1.00 21.12 O ATOM 0 H GLY A 57 -8.533 -7.048 -28.156 1.00 3.12 H new ATOM 0 HA2 GLY A 57 -7.157 -6.324 -30.503 1.00 52.12 H new ATOM 0 HA3 GLY A 57 -7.882 -5.243 -29.330 1.00 52.12 H new ATOM 866 N ASN A 58 -5.570 -5.765 -27.660 1.00 4.42 N ATOM 867 CA ASN A 58 -4.273 -5.500 -27.021 1.00 73.35 C ATOM 868 C ASN A 58 -3.328 -6.709 -27.199 1.00 4.32 C ATOM 869 O ASN A 58 -2.127 -6.531 -27.411 1.00 33.44 O ATOM 870 CB ASN A 58 -4.477 -5.180 -25.512 1.00 11.12 C ATOM 871 CG ASN A 58 -5.316 -3.911 -25.264 1.00 62.31 C ATOM 872 OD1 ASN A 58 -6.200 -3.554 -26.052 1.00 3.24 O ATOM 873 ND2 ASN A 58 -5.063 -3.225 -24.161 1.00 34.13 N ATOM 0 H ASN A 58 -6.293 -6.052 -27.001 1.00 4.42 H new ATOM 0 HA ASN A 58 -3.814 -4.635 -27.500 1.00 73.35 H new ATOM 0 HB2 ASN A 58 -4.964 -6.028 -25.031 1.00 11.12 H new ATOM 0 HB3 ASN A 58 -3.503 -5.061 -25.038 1.00 11.12 H new ATOM 0 HD21 ASN A 58 -5.601 -2.385 -23.948 1.00 34.13 H new ATOM 0 HD22 ASN A 58 -4.330 -3.536 -23.524 1.00 34.13 H new ATOM 880 N LEU A 59 -3.896 -7.935 -27.135 1.00 61.22 N ATOM 881 CA LEU A 59 -3.122 -9.191 -27.223 1.00 41.32 C ATOM 882 C LEU A 59 -2.459 -9.353 -28.603 1.00 3.54 C ATOM 883 O LEU A 59 -1.257 -9.569 -28.683 1.00 32.40 O ATOM 884 CB LEU A 59 -4.030 -10.421 -26.953 1.00 32.02 C ATOM 885 CG LEU A 59 -3.314 -11.818 -27.015 1.00 42.51 C ATOM 886 CD1 LEU A 59 -2.400 -12.048 -25.791 1.00 44.52 C ATOM 887 CD2 LEU A 59 -4.326 -12.968 -27.207 1.00 3.21 C ATOM 0 H LEU A 59 -4.899 -8.079 -27.021 1.00 61.22 H new ATOM 0 HA LEU A 59 -2.344 -9.136 -26.462 1.00 41.32 H new ATOM 0 HB2 LEU A 59 -4.482 -10.308 -25.968 1.00 32.02 H new ATOM 0 HB3 LEU A 59 -4.843 -10.417 -27.679 1.00 32.02 H new ATOM 0 HG LEU A 59 -2.669 -11.812 -27.893 1.00 42.51 H new ATOM 0 HD11 LEU A 59 -1.923 -13.025 -25.871 1.00 44.52 H new ATOM 0 HD12 LEU A 59 -1.635 -11.272 -25.757 1.00 44.52 H new ATOM 0 HD13 LEU A 59 -2.996 -12.009 -24.879 1.00 44.52 H new ATOM 0 HD21 LEU A 59 -3.794 -13.918 -27.245 1.00 3.21 H new ATOM 0 HD22 LEU A 59 -5.028 -12.978 -26.373 1.00 3.21 H new ATOM 0 HD23 LEU A 59 -4.872 -12.820 -28.139 1.00 3.21 H new ATOM 899 N LEU A 60 -3.261 -9.208 -29.672 1.00 62.31 N ATOM 900 CA LEU A 60 -2.859 -9.565 -31.051 1.00 53.13 C ATOM 901 C LEU A 60 -1.691 -8.694 -31.564 1.00 5.14 C ATOM 902 O LEU A 60 -0.815 -9.183 -32.290 1.00 21.03 O ATOM 903 CB LEU A 60 -4.093 -9.497 -32.001 1.00 53.11 C ATOM 904 CG LEU A 60 -5.231 -10.541 -31.721 1.00 22.22 C ATOM 905 CD1 LEU A 60 -6.463 -10.301 -32.622 1.00 23.23 C ATOM 906 CD2 LEU A 60 -4.710 -11.989 -31.860 1.00 35.34 C ATOM 0 H LEU A 60 -4.210 -8.839 -29.608 1.00 62.31 H new ATOM 0 HA LEU A 60 -2.488 -10.590 -31.039 1.00 53.13 H new ATOM 0 HB2 LEU A 60 -4.521 -8.496 -31.938 1.00 53.11 H new ATOM 0 HB3 LEU A 60 -3.746 -9.632 -33.026 1.00 53.11 H new ATOM 0 HG LEU A 60 -5.552 -10.400 -30.689 1.00 22.22 H new ATOM 0 HD11 LEU A 60 -7.228 -11.044 -32.398 1.00 23.23 H new ATOM 0 HD12 LEU A 60 -6.861 -9.303 -32.436 1.00 23.23 H new ATOM 0 HD13 LEU A 60 -6.170 -10.386 -33.669 1.00 23.23 H new ATOM 0 HD21 LEU A 60 -5.522 -12.688 -31.660 1.00 35.34 H new ATOM 0 HD22 LEU A 60 -4.337 -12.146 -32.872 1.00 35.34 H new ATOM 0 HD23 LEU A 60 -3.903 -12.156 -31.146 1.00 35.34 H new ATOM 918 N ARG A 61 -1.677 -7.414 -31.161 1.00 30.10 N ATOM 919 CA ARG A 61 -0.579 -6.485 -31.499 1.00 55.22 C ATOM 920 C ARG A 61 0.657 -6.723 -30.596 1.00 75.32 C ATOM 921 O ARG A 61 1.792 -6.527 -31.030 1.00 45.41 O ATOM 922 CB ARG A 61 -1.056 -5.010 -31.413 1.00 42.22 C ATOM 923 CG ARG A 61 -1.584 -4.565 -30.033 1.00 35.10 C ATOM 924 CD ARG A 61 -1.983 -3.081 -30.011 1.00 71.40 C ATOM 925 NE ARG A 61 -0.844 -2.215 -30.350 1.00 51.44 N ATOM 926 CZ ARG A 61 -0.917 -1.020 -30.963 1.00 44.12 C ATOM 927 NH1 ARG A 61 -2.090 -0.505 -31.344 1.00 51.41 N ATOM 928 NH2 ARG A 61 0.205 -0.359 -31.211 1.00 3.32 N ATOM 0 H ARG A 61 -2.416 -6.994 -30.598 1.00 30.10 H new ATOM 0 HA ARG A 61 -0.279 -6.684 -32.528 1.00 55.22 H new ATOM 0 HB2 ARG A 61 -0.226 -4.361 -31.692 1.00 42.22 H new ATOM 0 HB3 ARG A 61 -1.843 -4.857 -32.151 1.00 42.22 H new ATOM 0 HG2 ARG A 61 -2.446 -5.175 -29.763 1.00 35.10 H new ATOM 0 HG3 ARG A 61 -0.818 -4.744 -29.279 1.00 35.10 H new ATOM 0 HD2 ARG A 61 -2.795 -2.910 -30.718 1.00 71.40 H new ATOM 0 HD3 ARG A 61 -2.360 -2.819 -29.023 1.00 71.40 H new ATOM 0 HE ARG A 61 0.085 -2.551 -30.097 1.00 51.44 H new ATOM 0 HH11 ARG A 61 -2.953 -1.020 -31.171 1.00 51.41 H new ATOM 0 HH12 ARG A 61 -2.122 0.403 -31.807 1.00 51.41 H new ATOM 0 HH21 ARG A 61 1.103 -0.758 -30.938 1.00 3.32 H new ATOM 0 HH22 ARG A 61 0.170 0.549 -31.675 1.00 3.32 H new ATOM 942 N HIS A 62 0.412 -7.169 -29.351 1.00 11.45 N ATOM 943 CA HIS A 62 1.463 -7.432 -28.343 1.00 30.52 C ATOM 944 C HIS A 62 2.289 -8.685 -28.701 1.00 15.23 C ATOM 945 O HIS A 62 3.522 -8.670 -28.633 1.00 20.40 O ATOM 946 CB HIS A 62 0.784 -7.594 -26.961 1.00 62.05 C ATOM 947 CG HIS A 62 1.715 -7.821 -25.802 1.00 51.01 C ATOM 948 ND1 HIS A 62 2.029 -6.856 -24.879 1.00 40.32 N ATOM 949 CD2 HIS A 62 2.397 -8.939 -25.402 1.00 61.54 C ATOM 950 CE1 HIS A 62 2.861 -7.385 -23.972 1.00 62.14 C ATOM 951 NE2 HIS A 62 3.129 -8.654 -24.241 1.00 14.45 N ATOM 0 H HIS A 62 -0.530 -7.360 -29.010 1.00 11.45 H new ATOM 0 HA HIS A 62 2.159 -6.593 -28.320 1.00 30.52 H new ATOM 0 HB2 HIS A 62 0.193 -6.700 -26.760 1.00 62.05 H new ATOM 0 HB3 HIS A 62 0.088 -8.431 -27.014 1.00 62.05 H new ATOM 0 HD1 HIS A 62 1.686 -5.895 -24.883 1.00 40.32 H new ATOM 0 HD2 HIS A 62 2.374 -9.895 -25.904 1.00 61.54 H new ATOM 0 HE1 HIS A 62 3.263 -6.845 -23.128 1.00 62.14 H new ATOM 959 N ILE A 63 1.591 -9.763 -29.073 1.00 11.33 N ATOM 960 CA ILE A 63 2.211 -11.050 -29.459 1.00 31.00 C ATOM 961 C ILE A 63 2.954 -10.923 -30.807 1.00 54.04 C ATOM 962 O ILE A 63 3.877 -11.684 -31.086 1.00 74.23 O ATOM 963 CB ILE A 63 1.149 -12.213 -29.500 1.00 43.32 C ATOM 964 CG1 ILE A 63 0.029 -11.919 -30.544 1.00 50.42 C ATOM 965 CG2 ILE A 63 0.545 -12.452 -28.093 1.00 51.54 C ATOM 966 CD1 ILE A 63 -1.067 -12.969 -30.648 1.00 24.42 C ATOM 0 H ILE A 63 0.572 -9.775 -29.117 1.00 11.33 H new ATOM 0 HA ILE A 63 2.944 -11.306 -28.694 1.00 31.00 H new ATOM 0 HB ILE A 63 1.661 -13.124 -29.812 1.00 43.32 H new ATOM 0 HG12 ILE A 63 -0.432 -10.963 -30.296 1.00 50.42 H new ATOM 0 HG13 ILE A 63 0.492 -11.805 -31.524 1.00 50.42 H new ATOM 0 HG21 ILE A 63 -0.186 -13.259 -28.143 1.00 51.54 H new ATOM 0 HG22 ILE A 63 1.339 -12.724 -27.398 1.00 51.54 H new ATOM 0 HG23 ILE A 63 0.057 -11.541 -27.747 1.00 51.54 H new ATOM 0 HD11 ILE A 63 -1.792 -12.664 -31.402 1.00 24.42 H new ATOM 0 HD12 ILE A 63 -0.629 -13.926 -30.932 1.00 24.42 H new ATOM 0 HD13 ILE A 63 -1.567 -13.070 -29.684 1.00 24.42 H new ATOM 978 N LYS A 64 2.505 -9.958 -31.634 1.00 63.52 N ATOM 979 CA LYS A 64 3.152 -9.603 -32.909 1.00 42.31 C ATOM 980 C LYS A 64 4.548 -8.986 -32.670 1.00 71.05 C ATOM 981 O LYS A 64 5.463 -9.158 -33.484 1.00 32.11 O ATOM 982 CB LYS A 64 2.245 -8.619 -33.683 1.00 13.34 C ATOM 983 CG LYS A 64 2.761 -8.231 -35.100 1.00 35.20 C ATOM 984 CD LYS A 64 2.396 -6.781 -35.504 1.00 62.32 C ATOM 985 CE LYS A 64 2.986 -5.747 -34.520 1.00 51.32 C ATOM 986 NZ LYS A 64 2.830 -4.351 -35.008 1.00 44.22 N ATOM 0 H LYS A 64 1.676 -9.399 -31.432 1.00 63.52 H new ATOM 0 HA LYS A 64 3.291 -10.508 -33.500 1.00 42.31 H new ATOM 0 HB2 LYS A 64 1.254 -9.062 -33.781 1.00 13.34 H new ATOM 0 HB3 LYS A 64 2.131 -7.710 -33.092 1.00 13.34 H new ATOM 0 HG2 LYS A 64 3.844 -8.348 -35.130 1.00 35.20 H new ATOM 0 HG3 LYS A 64 2.345 -8.922 -35.833 1.00 35.20 H new ATOM 0 HD2 LYS A 64 2.767 -6.579 -36.509 1.00 62.32 H new ATOM 0 HD3 LYS A 64 1.312 -6.675 -35.537 1.00 62.32 H new ATOM 0 HE2 LYS A 64 2.495 -5.848 -33.552 1.00 51.32 H new ATOM 0 HE3 LYS A 64 4.044 -5.959 -34.364 1.00 51.32 H new ATOM 0 HZ1 LYS A 64 3.240 -3.693 -34.315 1.00 44.22 H new ATOM 0 HZ2 LYS A 64 3.320 -4.245 -35.919 1.00 44.22 H new ATOM 0 HZ3 LYS A 64 1.820 -4.137 -35.132 1.00 44.22 H new ATOM 1000 N LEU A 65 4.694 -8.285 -31.524 1.00 53.15 N ATOM 1001 CA LEU A 65 5.986 -7.709 -31.077 1.00 33.42 C ATOM 1002 C LEU A 65 6.994 -8.824 -30.697 1.00 54.51 C ATOM 1003 O LEU A 65 8.188 -8.563 -30.521 1.00 35.33 O ATOM 1004 CB LEU A 65 5.771 -6.764 -29.864 1.00 12.31 C ATOM 1005 CG LEU A 65 4.779 -5.578 -30.068 1.00 22.42 C ATOM 1006 CD1 LEU A 65 4.523 -4.822 -28.745 1.00 50.43 C ATOM 1007 CD2 LEU A 65 5.273 -4.624 -31.170 1.00 34.25 C ATOM 0 H LEU A 65 3.922 -8.102 -30.883 1.00 53.15 H new ATOM 0 HA LEU A 65 6.398 -7.137 -31.908 1.00 33.42 H new ATOM 0 HB2 LEU A 65 5.418 -7.363 -29.025 1.00 12.31 H new ATOM 0 HB3 LEU A 65 6.739 -6.353 -29.577 1.00 12.31 H new ATOM 0 HG LEU A 65 3.827 -5.997 -30.394 1.00 22.42 H new ATOM 0 HD11 LEU A 65 3.827 -4.002 -28.923 1.00 50.43 H new ATOM 0 HD12 LEU A 65 4.097 -5.506 -28.011 1.00 50.43 H new ATOM 0 HD13 LEU A 65 5.464 -4.424 -28.366 1.00 50.43 H new ATOM 0 HD21 LEU A 65 4.561 -3.807 -31.290 1.00 34.25 H new ATOM 0 HD22 LEU A 65 6.246 -4.220 -30.892 1.00 34.25 H new ATOM 0 HD23 LEU A 65 5.362 -5.169 -32.110 1.00 34.25 H new ATOM 1019 N HIS A 66 6.483 -10.064 -30.559 1.00 54.51 N ATOM 1020 CA HIS A 66 7.290 -11.269 -30.292 1.00 43.11 C ATOM 1021 C HIS A 66 7.556 -12.044 -31.604 1.00 23.24 C ATOM 1022 O HIS A 66 7.650 -13.282 -31.594 1.00 43.44 O ATOM 1023 CB HIS A 66 6.568 -12.167 -29.253 1.00 0.41 C ATOM 1024 CG HIS A 66 6.366 -11.542 -27.909 1.00 12.31 C ATOM 1025 ND1 HIS A 66 7.397 -11.253 -27.059 1.00 60.10 N ATOM 1026 CD2 HIS A 66 5.228 -11.157 -27.268 1.00 71.41 C ATOM 1027 CE1 HIS A 66 6.884 -10.716 -25.959 1.00 42.34 C ATOM 1028 NE2 HIS A 66 5.563 -10.633 -26.026 1.00 41.21 N ATOM 0 H HIS A 66 5.484 -10.258 -30.631 1.00 54.51 H new ATOM 0 HA HIS A 66 8.253 -10.968 -29.880 1.00 43.11 H new ATOM 0 HB2 HIS A 66 5.595 -12.451 -29.655 1.00 0.41 H new ATOM 0 HB3 HIS A 66 7.142 -13.085 -29.128 1.00 0.41 H new ATOM 0 HD2 HIS A 66 4.226 -11.245 -27.662 1.00 71.41 H new ATOM 0 HE1 HIS A 66 7.471 -10.387 -25.114 1.00 42.34 H new ATOM 0 HE2 HIS A 66 4.929 -10.264 -25.318 1.00 41.21 H new ATOM 1036 N SER A 67 7.652 -11.289 -32.723 1.00 31.21 N ATOM 1037 CA SER A 67 7.975 -11.823 -34.068 1.00 25.33 C ATOM 1038 C SER A 67 6.776 -12.612 -34.647 1.00 0.13 C ATOM 1039 O SER A 67 5.660 -12.559 -34.100 1.00 72.42 O ATOM 1040 CB SER A 67 9.292 -12.666 -34.010 1.00 22.10 C ATOM 1041 OG SER A 67 9.731 -13.097 -35.282 1.00 33.01 O ATOM 0 H SER A 67 7.506 -10.280 -32.718 1.00 31.21 H new ATOM 0 HA SER A 67 8.156 -10.995 -34.754 1.00 25.33 H new ATOM 0 HB2 SER A 67 10.077 -12.071 -33.544 1.00 22.10 H new ATOM 0 HB3 SER A 67 9.132 -13.536 -33.374 1.00 22.10 H new ATOM 0 HG SER A 67 9.676 -14.074 -35.333 1.00 33.01 H new ATOM 1047 N GLY A 68 7.004 -13.301 -35.785 1.00 3.30 N ATOM 1048 CA GLY A 68 5.977 -14.119 -36.433 1.00 32.42 C ATOM 1049 C GLY A 68 5.522 -15.303 -35.582 1.00 32.12 C ATOM 1050 O GLY A 68 4.387 -15.777 -35.724 1.00 12.33 O ATOM 0 H GLY A 68 7.901 -13.301 -36.271 1.00 3.30 H new ATOM 0 HA2 GLY A 68 5.115 -13.493 -36.662 1.00 32.42 H new ATOM 0 HA3 GLY A 68 6.363 -14.490 -37.382 1.00 32.42 H new ATOM 1054 N GLU A 69 6.416 -15.773 -34.698 1.00 43.03 N ATOM 1055 CA GLU A 69 6.186 -16.933 -33.818 1.00 54.40 C ATOM 1056 C GLU A 69 5.400 -16.472 -32.577 1.00 13.44 C ATOM 1057 O GLU A 69 5.984 -16.208 -31.519 1.00 44.22 O ATOM 1058 CB GLU A 69 7.554 -17.573 -33.402 1.00 54.02 C ATOM 1059 CG GLU A 69 8.411 -18.166 -34.554 1.00 34.05 C ATOM 1060 CD GLU A 69 8.853 -17.144 -35.616 1.00 71.04 C ATOM 1061 OE1 GLU A 69 9.486 -16.127 -35.256 1.00 40.43 O ATOM 1062 OE2 GLU A 69 8.546 -17.334 -36.816 1.00 50.54 O ATOM 0 H GLU A 69 7.336 -15.351 -34.571 1.00 43.03 H new ATOM 0 HA GLU A 69 5.607 -17.689 -34.348 1.00 54.40 H new ATOM 0 HB2 GLU A 69 8.146 -16.814 -32.890 1.00 54.02 H new ATOM 0 HB3 GLU A 69 7.356 -18.365 -32.679 1.00 54.02 H new ATOM 0 HG2 GLU A 69 9.298 -18.632 -34.126 1.00 34.05 H new ATOM 0 HG3 GLU A 69 7.841 -18.956 -35.044 1.00 34.05 H new ATOM 1069 N LYS A 70 4.075 -16.335 -32.726 1.00 1.22 N ATOM 1070 CA LYS A 70 3.201 -15.777 -31.676 1.00 54.31 C ATOM 1071 C LYS A 70 2.121 -16.804 -31.260 1.00 23.04 C ATOM 1072 O LYS A 70 1.673 -17.590 -32.095 1.00 15.31 O ATOM 1073 CB LYS A 70 2.558 -14.465 -32.198 1.00 23.15 C ATOM 1074 CG LYS A 70 1.549 -14.639 -33.351 1.00 53.10 C ATOM 1075 CD LYS A 70 1.102 -13.294 -33.965 1.00 74.14 C ATOM 1076 CE LYS A 70 2.239 -12.542 -34.676 1.00 13.23 C ATOM 1077 NZ LYS A 70 2.781 -13.287 -35.838 1.00 42.21 N ATOM 0 H LYS A 70 3.577 -16.606 -33.574 1.00 1.22 H new ATOM 0 HA LYS A 70 3.793 -15.554 -30.789 1.00 54.31 H new ATOM 0 HB2 LYS A 70 2.054 -13.971 -31.367 1.00 23.15 H new ATOM 0 HB3 LYS A 70 3.353 -13.797 -32.530 1.00 23.15 H new ATOM 0 HG2 LYS A 70 1.997 -15.257 -34.129 1.00 53.10 H new ATOM 0 HG3 LYS A 70 0.673 -15.174 -32.983 1.00 53.10 H new ATOM 0 HD2 LYS A 70 0.297 -13.477 -34.676 1.00 74.14 H new ATOM 0 HD3 LYS A 70 0.694 -12.661 -33.177 1.00 74.14 H new ATOM 0 HE2 LYS A 70 1.873 -11.571 -35.011 1.00 13.23 H new ATOM 0 HE3 LYS A 70 3.043 -12.351 -33.965 1.00 13.23 H new ATOM 0 HZ1 LYS A 70 3.434 -12.675 -36.369 1.00 42.21 H new ATOM 0 HZ2 LYS A 70 3.291 -14.129 -35.503 1.00 42.21 H new ATOM 0 HZ3 LYS A 70 1.999 -13.580 -36.458 1.00 42.21 H new ATOM 1091 N PRO A 71 1.712 -16.839 -29.959 1.00 45.32 N ATOM 1092 CA PRO A 71 0.618 -17.731 -29.493 1.00 52.01 C ATOM 1093 C PRO A 71 -0.763 -17.256 -30.000 1.00 72.45 C ATOM 1094 O PRO A 71 -1.081 -16.066 -29.939 1.00 62.21 O ATOM 1095 CB PRO A 71 0.726 -17.639 -27.953 1.00 15.34 C ATOM 1096 CG PRO A 71 1.289 -16.267 -27.708 1.00 73.43 C ATOM 1097 CD PRO A 71 2.276 -16.038 -28.831 1.00 51.32 C ATOM 0 HA PRO A 71 0.710 -18.751 -29.867 1.00 52.01 H new ATOM 0 HB2 PRO A 71 -0.247 -17.762 -27.477 1.00 15.34 H new ATOM 0 HB3 PRO A 71 1.378 -18.415 -27.552 1.00 15.34 H new ATOM 0 HG2 PRO A 71 0.503 -15.512 -27.714 1.00 73.43 H new ATOM 0 HG3 PRO A 71 1.778 -16.210 -26.736 1.00 73.43 H new ATOM 0 HD2 PRO A 71 2.354 -14.982 -29.088 1.00 51.32 H new ATOM 0 HD3 PRO A 71 3.277 -16.375 -28.561 1.00 51.32 H new ATOM 1105 N PHE A 72 -1.569 -18.201 -30.501 1.00 2.44 N ATOM 1106 CA PHE A 72 -2.914 -17.917 -31.031 1.00 65.13 C ATOM 1107 C PHE A 72 -3.783 -19.180 -30.905 1.00 71.24 C ATOM 1108 O PHE A 72 -4.864 -19.147 -30.302 1.00 43.34 O ATOM 1109 CB PHE A 72 -2.824 -17.439 -32.510 1.00 33.01 C ATOM 1110 CG PHE A 72 -4.150 -16.955 -33.097 1.00 23.02 C ATOM 1111 CD1 PHE A 72 -4.725 -15.761 -32.659 1.00 63.12 C ATOM 1112 CD2 PHE A 72 -4.830 -17.691 -34.072 1.00 21.10 C ATOM 1113 CE1 PHE A 72 -5.930 -15.320 -33.175 1.00 5.24 C ATOM 1114 CE2 PHE A 72 -6.037 -17.249 -34.585 1.00 41.43 C ATOM 1115 CZ PHE A 72 -6.585 -16.066 -34.136 1.00 64.21 C ATOM 0 H PHE A 72 -1.309 -19.186 -30.551 1.00 2.44 H new ATOM 0 HA PHE A 72 -3.374 -17.115 -30.454 1.00 65.13 H new ATOM 0 HB2 PHE A 72 -2.095 -16.631 -32.575 1.00 33.01 H new ATOM 0 HB3 PHE A 72 -2.447 -18.258 -33.122 1.00 33.01 H new ATOM 0 HD1 PHE A 72 -4.222 -15.173 -31.906 1.00 63.12 H new ATOM 0 HD2 PHE A 72 -4.407 -18.618 -34.430 1.00 21.10 H new ATOM 0 HE1 PHE A 72 -6.359 -14.392 -32.827 1.00 5.24 H new ATOM 0 HE2 PHE A 72 -6.550 -17.831 -35.337 1.00 41.43 H new ATOM 0 HZ PHE A 72 -7.527 -15.722 -34.536 1.00 64.21 H new ATOM 1125 N LYS A 73 -3.284 -20.295 -31.473 1.00 2.14 N ATOM 1126 CA LYS A 73 -3.971 -21.610 -31.440 1.00 61.30 C ATOM 1127 C LYS A 73 -2.986 -22.750 -31.811 1.00 4.30 C ATOM 1128 O LYS A 73 -3.108 -23.865 -31.259 1.00 23.11 O ATOM 1129 CB LYS A 73 -5.258 -21.612 -32.340 1.00 10.03 C ATOM 1130 CG LYS A 73 -5.076 -21.269 -33.851 1.00 62.12 C ATOM 1131 CD LYS A 73 -4.714 -22.480 -34.750 1.00 45.34 C ATOM 1132 CE LYS A 73 -5.760 -23.610 -34.676 1.00 44.33 C ATOM 1133 NZ LYS A 73 -5.442 -24.735 -35.599 1.00 44.31 N ATOM 1134 OXT LYS A 73 -2.056 -22.514 -32.618 1.00 36.52 O ATOM 0 H LYS A 73 -2.393 -20.314 -31.969 1.00 2.14 H new ATOM 0 HA LYS A 73 -4.311 -21.793 -30.421 1.00 61.30 H new ATOM 0 HB2 LYS A 73 -5.716 -22.599 -32.271 1.00 10.03 H new ATOM 0 HB3 LYS A 73 -5.967 -20.901 -31.916 1.00 10.03 H new ATOM 0 HG2 LYS A 73 -5.998 -20.821 -34.222 1.00 62.12 H new ATOM 0 HG3 LYS A 73 -4.294 -20.516 -33.947 1.00 62.12 H new ATOM 0 HD2 LYS A 73 -4.620 -22.145 -35.783 1.00 45.34 H new ATOM 0 HD3 LYS A 73 -3.741 -22.871 -34.452 1.00 45.34 H new ATOM 0 HE2 LYS A 73 -5.814 -23.985 -33.654 1.00 44.33 H new ATOM 0 HE3 LYS A 73 -6.743 -23.209 -34.921 1.00 44.33 H new ATOM 0 HZ1 LYS A 73 -6.172 -25.470 -35.514 1.00 44.31 H new ATOM 0 HZ2 LYS A 73 -5.416 -24.384 -36.578 1.00 44.31 H new ATOM 0 HZ3 LYS A 73 -4.516 -25.137 -35.350 1.00 44.31 H new TER 1148 LYS A 73 HETATM 1149 ZN ZN A 101 4.499 -9.806 -23.982 1.00 65.31 ZN