USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 684 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 64 HIS HD1 : A 64 HIS ND1 : A 101 ZNZN :(H bumps) USER MOD Set 1.1: A 52 SER OG : rot -151:sc= 1.03 USER MOD Set 1.2: A 65 THR OG1 : rot -78:sc= 0.37 USER MOD Set 2.1: A 59 CYS SG : rot 89:sc= -4.34! USER MOD Set 2.2: A 82 CYS SG : rot -56:sc= -8.22! USER MOD Set 2.3: A 85 CYS SG : rot 57:sc= -5.28! USER MOD Set 3.1: A 42 HIS : no HD1:sc= 0.711 K(o=1.5,f=-0.22) USER MOD Set 3.2: A 63 TYR OH : rot 44:sc= 0.823 USER MOD Set 4.1: A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 SER N :NH3+ -175:sc= -0.09 (180deg=-0.104) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 HIS : no HD1:sc= -0.166 X(o=-0.17,f=-0.41) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -0.733 K(o=-0.73,f=-4!) USER MOD Single : A 23 LYS NZ :NH3+ -172:sc=-0.000984 (180deg=-0.108) USER MOD Single : A 24 LYS NZ :NH3+ -170:sc=-0.00111 (180deg=-0.119) USER MOD Single : A 38 LYS NZ :NH3+ -133:sc= 1.29 (180deg=-0.0315) USER MOD Single : A 44 CYS SG : rot -112:sc= -6.26! USER MOD Single : A 45 ASN : amide:sc= -0.424 K(o=-0.42,f=-1.1) USER MOD Single : A 53 MET CE :methyl -112:sc= -0.71 (180deg=-2.62!) USER MOD Single : A 62 SER OG : rot 21:sc= 0.305 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 45:sc= 0.29 USER MOD Single : A 77 LYS NZ :NH3+ 150:sc= -0.337 (180deg=-1.78!) USER MOD Single : A 91 SER OG : rot -55:sc= 0.186 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN : amide:sc= -0.0274 X(o=-0.027,f=-0.027) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -104.894 46.557 15.351 1.00 71.12 N ATOM 2 CA SER A 1 -105.157 45.754 16.568 1.00 41.44 C ATOM 3 C SER A 1 -103.889 45.011 17.050 1.00 13.22 C ATOM 4 O SER A 1 -103.954 44.209 17.990 1.00 32.23 O ATOM 5 CB SER A 1 -106.312 44.768 16.279 1.00 25.51 C ATOM 6 OG SER A 1 -107.484 45.458 15.866 1.00 20.52 O ATOM 0 H1 SER A 1 -105.743 47.106 15.107 1.00 71.12 H new ATOM 0 H2 SER A 1 -104.101 47.206 15.528 1.00 71.12 H new ATOM 0 H3 SER A 1 -104.653 45.923 14.562 1.00 71.12 H new ATOM 0 HA SER A 1 -105.448 46.424 17.378 1.00 41.44 H new ATOM 0 HB2 SER A 1 -106.008 44.065 15.504 1.00 25.51 H new ATOM 0 HB3 SER A 1 -106.527 44.183 17.173 1.00 25.51 H new ATOM 0 HG SER A 1 -108.199 44.811 15.688 1.00 20.52 H new ATOM 14 N HIS A 2 -102.732 45.300 16.423 1.00 60.31 N ATOM 15 CA HIS A 2 -101.458 44.608 16.720 1.00 71.40 C ATOM 16 C HIS A 2 -100.298 45.628 16.743 1.00 73.35 C ATOM 17 O HIS A 2 -100.446 46.753 16.250 1.00 44.32 O ATOM 18 CB HIS A 2 -101.213 43.508 15.647 1.00 62.25 C ATOM 19 CG HIS A 2 -100.005 42.634 15.901 1.00 75.01 C ATOM 20 ND1 HIS A 2 -98.786 42.911 15.326 1.00 21.42 N ATOM 21 CD2 HIS A 2 -99.879 41.534 16.684 1.00 51.10 C ATOM 22 CE1 HIS A 2 -97.960 41.988 15.769 1.00 63.25 C ATOM 23 NE2 HIS A 2 -98.575 41.135 16.592 1.00 64.42 N ATOM 0 H HIS A 2 -102.652 46.015 15.700 1.00 60.31 H new ATOM 0 HA HIS A 2 -101.511 44.136 17.701 1.00 71.40 H new ATOM 0 HB2 HIS A 2 -102.097 42.874 15.588 1.00 62.25 H new ATOM 0 HB3 HIS A 2 -101.100 43.987 14.675 1.00 62.25 H new ATOM 0 HD2 HIS A 2 -100.658 41.065 17.267 1.00 51.10 H new ATOM 0 HE1 HIS A 2 -96.916 41.928 15.501 1.00 63.25 H new ATOM 0 HE2 HIS A 2 -98.151 40.336 17.063 1.00 64.42 H new ATOM 31 N MET A 3 -99.159 45.227 17.348 1.00 32.23 N ATOM 32 CA MET A 3 -97.906 46.010 17.330 1.00 53.10 C ATOM 33 C MET A 3 -97.209 45.888 15.937 1.00 24.23 C ATOM 34 O MET A 3 -96.152 45.251 15.783 1.00 1.31 O ATOM 35 CB MET A 3 -96.972 45.549 18.502 1.00 74.30 C ATOM 36 CG MET A 3 -96.592 44.054 18.499 1.00 22.11 C ATOM 37 SD MET A 3 -95.475 43.607 19.841 1.00 52.05 S ATOM 38 CE MET A 3 -95.175 41.868 19.498 1.00 40.22 C ATOM 0 H MET A 3 -99.083 44.350 17.863 1.00 32.23 H new ATOM 0 HA MET A 3 -98.133 47.065 17.484 1.00 53.10 H new ATOM 0 HB2 MET A 3 -96.056 46.139 18.467 1.00 74.30 H new ATOM 0 HB3 MET A 3 -97.464 45.779 19.447 1.00 74.30 H new ATOM 0 HG2 MET A 3 -97.499 43.454 18.574 1.00 22.11 H new ATOM 0 HG3 MET A 3 -96.124 43.806 17.546 1.00 22.11 H new ATOM 0 HE1 MET A 3 -94.499 41.460 20.250 1.00 40.22 H new ATOM 0 HE2 MET A 3 -96.119 41.324 19.525 1.00 40.22 H new ATOM 0 HE3 MET A 3 -94.724 41.764 18.511 1.00 40.22 H new ATOM 48 N SER A 4 -97.836 46.513 14.921 1.00 72.40 N ATOM 49 CA SER A 4 -97.409 46.411 13.514 1.00 10.44 C ATOM 50 C SER A 4 -96.051 47.117 13.297 1.00 73.21 C ATOM 51 O SER A 4 -95.987 48.341 13.099 1.00 62.01 O ATOM 52 CB SER A 4 -98.512 47.003 12.605 1.00 12.32 C ATOM 53 OG SER A 4 -99.766 46.366 12.836 1.00 21.42 O ATOM 0 H SER A 4 -98.656 47.105 15.055 1.00 72.40 H new ATOM 0 HA SER A 4 -97.266 45.363 13.252 1.00 10.44 H new ATOM 0 HB2 SER A 4 -98.605 48.073 12.791 1.00 12.32 H new ATOM 0 HB3 SER A 4 -98.228 46.885 11.559 1.00 12.32 H new ATOM 0 HG SER A 4 -100.446 46.760 12.250 1.00 21.42 H new ATOM 59 N GLY A 5 -94.973 46.323 13.386 1.00 44.33 N ATOM 60 CA GLY A 5 -93.604 46.810 13.260 1.00 63.20 C ATOM 61 C GLY A 5 -92.600 45.747 13.675 1.00 74.33 C ATOM 62 O GLY A 5 -91.857 45.909 14.656 1.00 1.34 O ATOM 0 H GLY A 5 -95.035 45.318 13.549 1.00 44.33 H new ATOM 0 HA2 GLY A 5 -93.415 47.109 12.229 1.00 63.20 H new ATOM 0 HA3 GLY A 5 -93.473 47.698 13.878 1.00 63.20 H new ATOM 66 N GLY A 6 -92.601 44.644 12.919 1.00 65.15 N ATOM 67 CA GLY A 6 -91.708 43.512 13.155 1.00 12.53 C ATOM 68 C GLY A 6 -91.597 42.648 11.911 1.00 12.43 C ATOM 69 O GLY A 6 -92.580 41.996 11.531 1.00 14.42 O ATOM 0 H GLY A 6 -93.226 44.514 12.123 1.00 65.15 H new ATOM 0 HA2 GLY A 6 -90.721 43.875 13.441 1.00 12.53 H new ATOM 0 HA3 GLY A 6 -92.082 42.915 13.987 1.00 12.53 H new ATOM 73 N SER A 7 -90.412 42.649 11.266 1.00 21.44 N ATOM 74 CA SER A 7 -90.169 41.903 10.017 1.00 15.45 C ATOM 75 C SER A 7 -88.708 41.391 9.978 1.00 33.32 C ATOM 76 O SER A 7 -87.799 42.109 10.413 1.00 5.14 O ATOM 77 CB SER A 7 -90.451 42.811 8.794 1.00 1.14 C ATOM 78 OG SER A 7 -89.666 43.992 8.829 1.00 41.44 O ATOM 0 H SER A 7 -89.598 43.167 11.597 1.00 21.44 H new ATOM 0 HA SER A 7 -90.841 41.046 9.981 1.00 15.45 H new ATOM 0 HB2 SER A 7 -90.242 42.261 7.876 1.00 1.14 H new ATOM 0 HB3 SER A 7 -91.508 43.076 8.773 1.00 1.14 H new ATOM 0 HG SER A 7 -89.867 44.542 8.043 1.00 41.44 H new ATOM 84 N PRO A 8 -88.458 40.136 9.474 1.00 30.40 N ATOM 85 CA PRO A 8 -87.083 39.599 9.313 1.00 64.12 C ATOM 86 C PRO A 8 -86.349 40.233 8.111 1.00 11.35 C ATOM 87 O PRO A 8 -86.985 40.774 7.190 1.00 14.22 O ATOM 88 CB PRO A 8 -87.305 38.064 9.102 1.00 65.43 C ATOM 89 CG PRO A 8 -88.776 37.823 9.353 1.00 43.21 C ATOM 90 CD PRO A 8 -89.467 39.133 9.047 1.00 20.41 C ATOM 0 HA PRO A 8 -86.450 39.822 10.172 1.00 64.12 H new ATOM 0 HB2 PRO A 8 -87.026 37.764 8.092 1.00 65.43 H new ATOM 0 HB3 PRO A 8 -86.690 37.482 9.789 1.00 65.43 H new ATOM 0 HG2 PRO A 8 -89.155 37.023 8.717 1.00 43.21 H new ATOM 0 HG3 PRO A 8 -88.952 37.520 10.385 1.00 43.21 H new ATOM 0 HD2 PRO A 8 -89.709 39.226 7.988 1.00 20.41 H new ATOM 0 HD3 PRO A 8 -90.401 39.237 9.598 1.00 20.41 H new ATOM 98 N LEU A 9 -85.008 40.150 8.132 1.00 72.24 N ATOM 99 CA LEU A 9 -84.154 40.633 7.038 1.00 12.00 C ATOM 100 C LEU A 9 -82.842 39.831 6.977 1.00 2.54 C ATOM 101 O LEU A 9 -82.335 39.370 8.015 1.00 52.40 O ATOM 102 CB LEU A 9 -83.921 42.178 7.159 1.00 35.11 C ATOM 103 CG LEU A 9 -83.411 42.759 8.540 1.00 43.01 C ATOM 104 CD1 LEU A 9 -81.904 42.501 8.790 1.00 74.02 C ATOM 105 CD2 LEU A 9 -83.737 44.266 8.655 1.00 51.14 C ATOM 0 H LEU A 9 -84.487 39.745 8.910 1.00 72.24 H new ATOM 0 HA LEU A 9 -84.664 40.468 6.089 1.00 12.00 H new ATOM 0 HB2 LEU A 9 -83.202 42.466 6.392 1.00 35.11 H new ATOM 0 HB3 LEU A 9 -84.861 42.675 6.917 1.00 35.11 H new ATOM 0 HG LEU A 9 -83.949 42.219 9.319 1.00 43.01 H new ATOM 0 HD11 LEU A 9 -81.617 42.924 9.753 1.00 74.02 H new ATOM 0 HD12 LEU A 9 -81.714 41.428 8.794 1.00 74.02 H new ATOM 0 HD13 LEU A 9 -81.318 42.970 7.999 1.00 74.02 H new ATOM 0 HD21 LEU A 9 -83.377 44.644 9.612 1.00 51.14 H new ATOM 0 HD22 LEU A 9 -83.248 44.807 7.844 1.00 51.14 H new ATOM 0 HD23 LEU A 9 -84.815 44.411 8.590 1.00 51.14 H new ATOM 117 N ALA A 10 -82.328 39.660 5.748 1.00 21.23 N ATOM 118 CA ALA A 10 -81.069 38.958 5.462 1.00 22.21 C ATOM 119 C ALA A 10 -80.702 39.193 3.986 1.00 2.13 C ATOM 120 O ALA A 10 -81.093 38.414 3.101 1.00 15.20 O ATOM 121 CB ALA A 10 -81.171 37.441 5.772 1.00 11.20 C ATOM 0 H ALA A 10 -82.787 40.014 4.909 1.00 21.23 H new ATOM 0 HA ALA A 10 -80.286 39.355 6.108 1.00 22.21 H new ATOM 0 HB1 ALA A 10 -80.220 36.959 5.547 1.00 11.20 H new ATOM 0 HB2 ALA A 10 -81.409 37.300 6.826 1.00 11.20 H new ATOM 0 HB3 ALA A 10 -81.956 36.997 5.161 1.00 11.20 H new ATOM 127 N THR A 11 -80.021 40.321 3.724 1.00 24.21 N ATOM 128 CA THR A 11 -79.523 40.689 2.386 1.00 20.21 C ATOM 129 C THR A 11 -78.139 41.335 2.556 1.00 2.25 C ATOM 130 O THR A 11 -78.029 42.475 3.032 1.00 35.30 O ATOM 131 CB THR A 11 -80.496 41.679 1.651 1.00 1.24 C ATOM 132 OG1 THR A 11 -81.816 41.110 1.601 1.00 54.41 O ATOM 133 CG2 THR A 11 -80.030 42.017 0.216 1.00 12.45 C ATOM 0 H THR A 11 -79.798 41.011 4.442 1.00 24.21 H new ATOM 0 HA THR A 11 -79.460 39.792 1.770 1.00 20.21 H new ATOM 0 HB THR A 11 -80.500 42.608 2.221 1.00 1.24 H new ATOM 0 HG1 THR A 11 -82.422 41.729 1.144 1.00 54.41 H new ATOM 0 HG21 THR A 11 -80.739 42.705 -0.244 1.00 12.45 H new ATOM 0 HG22 THR A 11 -79.045 42.483 0.253 1.00 12.45 H new ATOM 0 HG23 THR A 11 -79.976 41.102 -0.374 1.00 12.45 H new ATOM 141 N GLY A 12 -77.090 40.567 2.229 1.00 60.32 N ATOM 142 CA GLY A 12 -75.714 41.023 2.371 1.00 25.13 C ATOM 143 C GLY A 12 -74.748 39.857 2.388 1.00 62.21 C ATOM 144 O GLY A 12 -74.126 39.575 3.419 1.00 0.12 O ATOM 0 H GLY A 12 -77.178 39.620 1.862 1.00 60.32 H new ATOM 0 HA2 GLY A 12 -75.464 41.693 1.549 1.00 25.13 H new ATOM 0 HA3 GLY A 12 -75.612 41.596 3.292 1.00 25.13 H new ATOM 148 N THR A 13 -74.667 39.128 1.262 1.00 61.34 N ATOM 149 CA THR A 13 -73.682 38.048 1.079 1.00 41.15 C ATOM 150 C THR A 13 -72.489 38.571 0.256 1.00 14.22 C ATOM 151 O THR A 13 -72.634 39.503 -0.549 1.00 32.03 O ATOM 152 CB THR A 13 -74.301 36.779 0.398 1.00 65.11 C ATOM 153 OG1 THR A 13 -73.327 35.723 0.356 1.00 52.04 O ATOM 154 CG2 THR A 13 -74.812 37.049 -1.032 1.00 72.43 C ATOM 0 H THR A 13 -75.278 39.269 0.458 1.00 61.34 H new ATOM 0 HA THR A 13 -73.343 37.740 2.068 1.00 41.15 H new ATOM 0 HB THR A 13 -75.160 36.489 1.003 1.00 65.11 H new ATOM 0 HG1 THR A 13 -73.720 34.932 -0.069 1.00 52.04 H new ATOM 0 HG21 THR A 13 -75.229 36.132 -1.449 1.00 72.43 H new ATOM 0 HG22 THR A 13 -75.584 37.818 -1.003 1.00 72.43 H new ATOM 0 HG23 THR A 13 -73.985 37.388 -1.656 1.00 72.43 H new ATOM 162 N THR A 14 -71.313 37.969 0.482 1.00 12.14 N ATOM 163 CA THR A 14 -70.073 38.312 -0.216 1.00 5.02 C ATOM 164 C THR A 14 -69.079 37.140 -0.048 1.00 22.41 C ATOM 165 O THR A 14 -68.743 36.753 1.081 1.00 70.42 O ATOM 166 CB THR A 14 -69.474 39.689 0.286 1.00 74.24 C ATOM 167 OG1 THR A 14 -68.245 39.988 -0.392 1.00 72.04 O ATOM 168 CG2 THR A 14 -69.247 39.747 1.817 1.00 5.33 C ATOM 0 H THR A 14 -71.198 37.220 1.165 1.00 12.14 H new ATOM 0 HA THR A 14 -70.278 38.456 -1.277 1.00 5.02 H new ATOM 0 HB THR A 14 -70.226 40.440 0.046 1.00 74.24 H new ATOM 0 HG1 THR A 14 -67.893 40.843 -0.069 1.00 72.04 H new ATOM 0 HG21 THR A 14 -68.835 40.719 2.087 1.00 5.33 H new ATOM 0 HG22 THR A 14 -70.197 39.599 2.331 1.00 5.33 H new ATOM 0 HG23 THR A 14 -68.549 38.963 2.111 1.00 5.33 H new ATOM 176 N ALA A 15 -68.665 36.537 -1.180 1.00 31.11 N ATOM 177 CA ALA A 15 -67.804 35.339 -1.184 1.00 24.25 C ATOM 178 C ALA A 15 -67.012 35.245 -2.503 1.00 41.21 C ATOM 179 O ALA A 15 -67.416 34.546 -3.442 1.00 15.43 O ATOM 180 CB ALA A 15 -68.642 34.063 -0.940 1.00 63.23 C ATOM 0 H ALA A 15 -68.917 36.865 -2.112 1.00 31.11 H new ATOM 0 HA ALA A 15 -67.086 35.426 -0.368 1.00 24.25 H new ATOM 0 HB1 ALA A 15 -67.988 33.191 -0.947 1.00 63.23 H new ATOM 0 HB2 ALA A 15 -69.141 34.135 0.026 1.00 63.23 H new ATOM 0 HB3 ALA A 15 -69.389 33.962 -1.727 1.00 63.23 H new ATOM 186 N ASN A 16 -65.907 36.004 -2.572 1.00 10.02 N ATOM 187 CA ASN A 16 -64.980 35.994 -3.721 1.00 1.40 C ATOM 188 C ASN A 16 -63.556 36.284 -3.217 1.00 62.53 C ATOM 189 O ASN A 16 -63.173 37.449 -3.040 1.00 42.12 O ATOM 190 CB ASN A 16 -65.414 37.030 -4.806 1.00 4.33 C ATOM 191 CG ASN A 16 -64.512 37.046 -6.053 1.00 1.12 C ATOM 192 OD1 ASN A 16 -63.906 36.040 -6.433 1.00 22.32 O ATOM 193 ND2 ASN A 16 -64.442 38.189 -6.723 1.00 12.02 N ATOM 0 H ASN A 16 -65.628 36.646 -1.830 1.00 10.02 H new ATOM 0 HA ASN A 16 -65.003 35.011 -4.192 1.00 1.40 H new ATOM 0 HB2 ASN A 16 -66.437 36.812 -5.113 1.00 4.33 H new ATOM 0 HB3 ASN A 16 -65.420 38.025 -4.362 1.00 4.33 H new ATOM 0 HD21 ASN A 16 -63.879 38.249 -7.571 1.00 12.02 H new ATOM 0 HD22 ASN A 16 -64.952 39.007 -6.390 1.00 12.02 H new ATOM 200 N THR A 17 -62.803 35.211 -2.932 1.00 0.34 N ATOM 201 CA THR A 17 -61.399 35.308 -2.502 1.00 12.01 C ATOM 202 C THR A 17 -60.476 35.322 -3.745 1.00 64.00 C ATOM 203 O THR A 17 -60.685 34.557 -4.699 1.00 44.05 O ATOM 204 CB THR A 17 -61.016 34.143 -1.515 1.00 33.50 C ATOM 205 OG1 THR A 17 -59.654 34.293 -1.066 1.00 22.33 O ATOM 206 CG2 THR A 17 -61.197 32.739 -2.132 1.00 35.43 C ATOM 0 H THR A 17 -63.149 34.253 -2.993 1.00 0.34 H new ATOM 0 HA THR A 17 -61.265 36.241 -1.954 1.00 12.01 H new ATOM 0 HB THR A 17 -61.704 34.220 -0.673 1.00 33.50 H new ATOM 0 HG1 THR A 17 -59.430 33.563 -0.452 1.00 22.33 H new ATOM 0 HG21 THR A 17 -60.916 31.981 -1.401 1.00 35.43 H new ATOM 0 HG22 THR A 17 -62.240 32.599 -2.418 1.00 35.43 H new ATOM 0 HG23 THR A 17 -60.563 32.645 -3.014 1.00 35.43 H new ATOM 214 N ARG A 18 -59.472 36.219 -3.734 1.00 52.25 N ATOM 215 CA ARG A 18 -58.536 36.389 -4.860 1.00 22.30 C ATOM 216 C ARG A 18 -57.128 36.723 -4.321 1.00 53.30 C ATOM 217 O ARG A 18 -56.874 37.850 -3.875 1.00 33.31 O ATOM 218 CB ARG A 18 -59.042 37.507 -5.828 1.00 63.21 C ATOM 219 CG ARG A 18 -58.380 37.512 -7.239 1.00 23.01 C ATOM 220 CD ARG A 18 -58.984 36.477 -8.210 1.00 53.54 C ATOM 221 NE ARG A 18 -58.837 35.086 -7.741 1.00 74.31 N ATOM 222 CZ ARG A 18 -59.652 34.059 -8.055 1.00 41.31 C ATOM 223 NH1 ARG A 18 -60.710 34.230 -8.855 1.00 41.22 N ATOM 224 NH2 ARG A 18 -59.393 32.853 -7.572 1.00 75.21 N ATOM 0 H ARG A 18 -59.288 36.843 -2.948 1.00 52.25 H new ATOM 0 HA ARG A 18 -58.482 35.457 -5.423 1.00 22.30 H new ATOM 0 HB2 ARG A 18 -60.120 37.399 -5.950 1.00 63.21 H new ATOM 0 HB3 ARG A 18 -58.870 38.476 -5.360 1.00 63.21 H new ATOM 0 HG2 ARG A 18 -58.479 38.507 -7.674 1.00 23.01 H new ATOM 0 HG3 ARG A 18 -57.313 37.317 -7.131 1.00 23.01 H new ATOM 0 HD2 ARG A 18 -60.042 36.696 -8.352 1.00 53.54 H new ATOM 0 HD3 ARG A 18 -58.504 36.578 -9.183 1.00 53.54 H new ATOM 0 HE ARG A 18 -58.050 34.883 -7.125 1.00 74.31 H new ATOM 0 HH11 ARG A 18 -60.914 35.152 -9.241 1.00 41.22 H new ATOM 0 HH12 ARG A 18 -61.313 33.439 -9.079 1.00 41.22 H new ATOM 0 HH21 ARG A 18 -58.583 32.708 -6.969 1.00 75.21 H new ATOM 0 HH22 ARG A 18 -60.003 32.069 -7.803 1.00 75.21 H new ATOM 238 N GLY A 19 -56.247 35.713 -4.318 1.00 23.14 N ATOM 239 CA GLY A 19 -54.862 35.867 -3.874 1.00 40.04 C ATOM 240 C GLY A 19 -54.177 34.511 -3.715 1.00 75.50 C ATOM 241 O GLY A 19 -54.370 33.840 -2.696 1.00 22.02 O ATOM 0 H GLY A 19 -56.478 34.768 -4.624 1.00 23.14 H new ATOM 0 HA2 GLY A 19 -54.312 36.473 -4.594 1.00 40.04 H new ATOM 0 HA3 GLY A 19 -54.839 36.402 -2.925 1.00 40.04 H new ATOM 245 N ALA A 20 -53.398 34.107 -4.730 1.00 73.52 N ATOM 246 CA ALA A 20 -52.685 32.820 -4.746 1.00 71.54 C ATOM 247 C ALA A 20 -51.374 32.967 -5.545 1.00 2.15 C ATOM 248 O ALA A 20 -51.405 33.220 -6.754 1.00 33.20 O ATOM 249 CB ALA A 20 -53.576 31.715 -5.353 1.00 51.41 C ATOM 0 H ALA A 20 -53.244 34.667 -5.568 1.00 73.52 H new ATOM 0 HA ALA A 20 -52.444 32.531 -3.723 1.00 71.54 H new ATOM 0 HB1 ALA A 20 -53.032 30.770 -5.357 1.00 51.41 H new ATOM 0 HB2 ALA A 20 -54.482 31.610 -4.757 1.00 51.41 H new ATOM 0 HB3 ALA A 20 -53.843 31.984 -6.375 1.00 51.41 H new ATOM 255 N SER A 21 -50.226 32.831 -4.850 1.00 31.43 N ATOM 256 CA SER A 21 -48.881 32.942 -5.458 1.00 2.44 C ATOM 257 C SER A 21 -48.064 31.664 -5.157 1.00 74.23 C ATOM 258 O SER A 21 -47.453 31.544 -4.086 1.00 35.33 O ATOM 259 CB SER A 21 -48.162 34.210 -4.922 1.00 41.40 C ATOM 260 OG SER A 21 -48.910 35.380 -5.207 1.00 31.45 O ATOM 0 H SER A 21 -50.204 32.641 -3.848 1.00 31.43 H new ATOM 0 HA SER A 21 -48.975 33.039 -6.540 1.00 2.44 H new ATOM 0 HB2 SER A 21 -48.016 34.121 -3.845 1.00 41.40 H new ATOM 0 HB3 SER A 21 -47.173 34.289 -5.372 1.00 41.40 H new ATOM 0 HG SER A 21 -48.437 36.164 -4.858 1.00 31.45 H new ATOM 266 N GLN A 22 -48.107 30.694 -6.089 1.00 11.25 N ATOM 267 CA GLN A 22 -47.379 29.410 -5.966 1.00 51.12 C ATOM 268 C GLN A 22 -45.976 29.559 -6.576 1.00 52.03 C ATOM 269 O GLN A 22 -45.836 29.573 -7.809 1.00 52.41 O ATOM 270 CB GLN A 22 -48.133 28.235 -6.685 1.00 51.11 C ATOM 271 CG GLN A 22 -49.528 27.868 -6.135 1.00 10.42 C ATOM 272 CD GLN A 22 -50.586 28.961 -6.310 1.00 71.20 C ATOM 273 OE1 GLN A 22 -50.835 29.770 -5.414 1.00 23.31 O ATOM 274 NE2 GLN A 22 -51.165 29.040 -7.491 1.00 21.00 N ATOM 0 H GLN A 22 -48.647 30.775 -6.951 1.00 11.25 H new ATOM 0 HA GLN A 22 -47.312 29.166 -4.906 1.00 51.12 H new ATOM 0 HB2 GLN A 22 -48.240 28.493 -7.739 1.00 51.11 H new ATOM 0 HB3 GLN A 22 -47.503 27.346 -6.637 1.00 51.11 H new ATOM 0 HG2 GLN A 22 -49.874 26.962 -6.632 1.00 10.42 H new ATOM 0 HG3 GLN A 22 -49.437 27.635 -5.074 1.00 10.42 H new ATOM 0 HE21 GLN A 22 -50.941 28.358 -8.215 1.00 21.00 H new ATOM 0 HE22 GLN A 22 -51.837 29.784 -7.681 1.00 21.00 H new ATOM 283 N LYS A 23 -44.945 29.694 -5.718 1.00 13.34 N ATOM 284 CA LYS A 23 -43.547 29.760 -6.172 1.00 50.14 C ATOM 285 C LYS A 23 -42.617 29.192 -5.080 1.00 35.43 C ATOM 286 O LYS A 23 -42.448 29.800 -4.015 1.00 74.33 O ATOM 287 CB LYS A 23 -43.137 31.218 -6.542 1.00 42.33 C ATOM 288 CG LYS A 23 -41.781 31.316 -7.279 1.00 75.02 C ATOM 289 CD LYS A 23 -41.314 32.772 -7.505 1.00 40.01 C ATOM 290 CE LYS A 23 -39.988 32.847 -8.288 1.00 34.53 C ATOM 291 NZ LYS A 23 -38.898 32.053 -7.652 1.00 50.51 N ATOM 0 H LYS A 23 -45.058 29.759 -4.706 1.00 13.34 H new ATOM 0 HA LYS A 23 -43.449 29.156 -7.074 1.00 50.14 H new ATOM 0 HB2 LYS A 23 -43.913 31.656 -7.169 1.00 42.33 H new ATOM 0 HB3 LYS A 23 -43.089 31.814 -5.631 1.00 42.33 H new ATOM 0 HG2 LYS A 23 -41.023 30.783 -6.704 1.00 75.02 H new ATOM 0 HG3 LYS A 23 -41.862 30.813 -8.243 1.00 75.02 H new ATOM 0 HD2 LYS A 23 -42.085 33.318 -8.048 1.00 40.01 H new ATOM 0 HD3 LYS A 23 -41.192 33.266 -6.541 1.00 40.01 H new ATOM 0 HE2 LYS A 23 -40.150 32.486 -9.304 1.00 34.53 H new ATOM 0 HE3 LYS A 23 -39.675 33.888 -8.366 1.00 34.53 H new ATOM 0 HZ1 LYS A 23 -37.999 32.245 -8.139 1.00 50.51 H new ATOM 0 HZ2 LYS A 23 -38.813 32.320 -6.650 1.00 50.51 H new ATOM 0 HZ3 LYS A 23 -39.120 31.039 -7.723 1.00 50.51 H new ATOM 305 N LYS A 24 -42.058 28.001 -5.353 1.00 50.21 N ATOM 306 CA LYS A 24 -41.078 27.316 -4.486 1.00 65.43 C ATOM 307 C LYS A 24 -40.269 26.310 -5.339 1.00 34.20 C ATOM 308 O LYS A 24 -40.343 26.349 -6.576 1.00 60.24 O ATOM 309 CB LYS A 24 -41.780 26.607 -3.291 1.00 14.21 C ATOM 310 CG LYS A 24 -42.796 25.515 -3.686 1.00 53.24 C ATOM 311 CD LYS A 24 -43.360 24.758 -2.463 1.00 62.12 C ATOM 312 CE LYS A 24 -44.426 23.723 -2.856 1.00 5.10 C ATOM 313 NZ LYS A 24 -45.628 24.362 -3.453 1.00 32.33 N ATOM 0 H LYS A 24 -42.278 27.475 -6.199 1.00 50.21 H new ATOM 0 HA LYS A 24 -40.398 28.054 -4.060 1.00 65.43 H new ATOM 0 HB2 LYS A 24 -41.017 26.159 -2.655 1.00 14.21 H new ATOM 0 HB3 LYS A 24 -42.293 27.360 -2.692 1.00 14.21 H new ATOM 0 HG2 LYS A 24 -43.618 25.971 -4.237 1.00 53.24 H new ATOM 0 HG3 LYS A 24 -42.317 24.804 -4.359 1.00 53.24 H new ATOM 0 HD2 LYS A 24 -42.545 24.256 -1.942 1.00 62.12 H new ATOM 0 HD3 LYS A 24 -43.792 25.474 -1.764 1.00 62.12 H new ATOM 0 HE2 LYS A 24 -44.000 23.016 -3.568 1.00 5.10 H new ATOM 0 HE3 LYS A 24 -44.719 23.151 -1.975 1.00 5.10 H new ATOM 0 HZ1 LYS A 24 -46.386 23.656 -3.547 1.00 32.33 H new ATOM 0 HZ2 LYS A 24 -45.951 25.136 -2.838 1.00 32.33 H new ATOM 0 HZ3 LYS A 24 -45.389 24.741 -4.391 1.00 32.33 H new ATOM 327 N GLY A 25 -39.485 25.439 -4.680 1.00 30.42 N ATOM 328 CA GLY A 25 -38.682 24.420 -5.363 1.00 55.44 C ATOM 329 C GLY A 25 -37.274 24.910 -5.666 1.00 41.15 C ATOM 330 O GLY A 25 -36.755 25.780 -4.948 1.00 24.22 O ATOM 0 H GLY A 25 -39.393 25.425 -3.664 1.00 30.42 H new ATOM 0 HA2 GLY A 25 -38.628 23.525 -4.743 1.00 55.44 H new ATOM 0 HA3 GLY A 25 -39.174 24.134 -6.293 1.00 55.44 H new ATOM 334 N GLY A 26 -36.655 24.350 -6.728 1.00 44.11 N ATOM 335 CA GLY A 26 -35.290 24.718 -7.133 1.00 22.15 C ATOM 336 C GLY A 26 -34.235 24.339 -6.100 1.00 62.35 C ATOM 337 O GLY A 26 -33.230 25.045 -5.937 1.00 11.20 O ATOM 0 H GLY A 26 -37.085 23.639 -7.319 1.00 44.11 H new ATOM 0 HA2 GLY A 26 -35.055 24.230 -8.079 1.00 22.15 H new ATOM 0 HA3 GLY A 26 -35.247 25.793 -7.309 1.00 22.15 H new ATOM 341 N GLU A 27 -34.496 23.225 -5.393 1.00 64.34 N ATOM 342 CA GLU A 27 -33.613 22.687 -4.345 1.00 20.13 C ATOM 343 C GLU A 27 -32.324 22.110 -4.989 1.00 40.11 C ATOM 344 O GLU A 27 -32.424 21.165 -5.774 1.00 60.22 O ATOM 345 CB GLU A 27 -34.392 21.584 -3.568 1.00 73.04 C ATOM 346 CG GLU A 27 -33.630 20.908 -2.400 1.00 62.00 C ATOM 347 CD GLU A 27 -33.313 21.865 -1.240 1.00 14.20 C ATOM 348 OE1 GLU A 27 -34.225 22.173 -0.442 1.00 22.23 O ATOM 349 OE2 GLU A 27 -32.161 22.327 -1.123 1.00 54.13 O ATOM 0 H GLU A 27 -35.337 22.666 -5.536 1.00 64.34 H new ATOM 0 HA GLU A 27 -33.316 23.475 -3.653 1.00 20.13 H new ATOM 0 HB2 GLU A 27 -35.307 22.024 -3.172 1.00 73.04 H new ATOM 0 HB3 GLU A 27 -34.691 20.811 -4.276 1.00 73.04 H new ATOM 0 HG2 GLU A 27 -34.224 20.076 -2.022 1.00 62.00 H new ATOM 0 HG3 GLU A 27 -32.698 20.488 -2.779 1.00 62.00 H new ATOM 356 N PRO A 28 -31.103 22.694 -4.702 1.00 32.13 N ATOM 357 CA PRO A 28 -29.823 22.202 -5.251 1.00 24.13 C ATOM 358 C PRO A 28 -29.146 21.154 -4.316 1.00 2.01 C ATOM 359 O PRO A 28 -28.530 21.521 -3.303 1.00 4.32 O ATOM 360 CB PRO A 28 -29.002 23.517 -5.368 1.00 24.54 C ATOM 361 CG PRO A 28 -29.499 24.404 -4.243 1.00 12.33 C ATOM 362 CD PRO A 28 -30.874 23.874 -3.822 1.00 14.31 C ATOM 0 HA PRO A 28 -29.924 21.668 -6.196 1.00 24.13 H new ATOM 0 HB2 PRO A 28 -27.934 23.323 -5.272 1.00 24.54 H new ATOM 0 HB3 PRO A 28 -29.154 23.990 -6.338 1.00 24.54 H new ATOM 0 HG2 PRO A 28 -28.805 24.384 -3.402 1.00 12.33 H new ATOM 0 HG3 PRO A 28 -29.571 25.440 -4.573 1.00 12.33 H new ATOM 0 HD2 PRO A 28 -30.886 23.592 -2.769 1.00 14.31 H new ATOM 0 HD3 PRO A 28 -31.649 24.628 -3.959 1.00 14.31 H new ATOM 370 N PRO A 29 -29.264 19.815 -4.622 1.00 53.51 N ATOM 371 CA PRO A 29 -28.705 18.760 -3.770 1.00 41.12 C ATOM 372 C PRO A 29 -27.259 18.396 -4.187 1.00 44.03 C ATOM 373 O PRO A 29 -27.028 17.506 -5.018 1.00 1.25 O ATOM 374 CB PRO A 29 -29.714 17.595 -3.977 1.00 1.23 C ATOM 375 CG PRO A 29 -30.380 17.849 -5.322 1.00 72.25 C ATOM 376 CD PRO A 29 -29.916 19.221 -5.816 1.00 20.05 C ATOM 0 HA PRO A 29 -28.603 19.042 -2.722 1.00 41.12 H new ATOM 0 HB2 PRO A 29 -29.204 16.632 -3.970 1.00 1.23 H new ATOM 0 HB3 PRO A 29 -30.452 17.571 -3.175 1.00 1.23 H new ATOM 0 HG2 PRO A 29 -30.108 17.072 -6.037 1.00 72.25 H new ATOM 0 HG3 PRO A 29 -31.465 17.825 -5.223 1.00 72.25 H new ATOM 0 HD2 PRO A 29 -29.221 19.133 -6.651 1.00 20.05 H new ATOM 0 HD3 PRO A 29 -30.753 19.828 -6.160 1.00 20.05 H new ATOM 384 N ALA A 30 -26.296 19.158 -3.636 1.00 45.43 N ATOM 385 CA ALA A 30 -24.860 18.898 -3.815 1.00 14.55 C ATOM 386 C ALA A 30 -24.479 17.575 -3.131 1.00 65.41 C ATOM 387 O ALA A 30 -24.309 17.526 -1.904 1.00 31.41 O ATOM 388 CB ALA A 30 -24.035 20.072 -3.259 1.00 24.13 C ATOM 0 H ALA A 30 -26.495 19.972 -3.054 1.00 45.43 H new ATOM 0 HA ALA A 30 -24.639 18.807 -4.879 1.00 14.55 H new ATOM 0 HB1 ALA A 30 -22.973 19.868 -3.397 1.00 24.13 H new ATOM 0 HB2 ALA A 30 -24.301 20.987 -3.789 1.00 24.13 H new ATOM 0 HB3 ALA A 30 -24.246 20.194 -2.197 1.00 24.13 H new ATOM 394 N LEU A 31 -24.404 16.499 -3.934 1.00 22.22 N ATOM 395 CA LEU A 31 -24.131 15.141 -3.447 1.00 53.40 C ATOM 396 C LEU A 31 -22.618 14.926 -3.287 1.00 34.25 C ATOM 397 O LEU A 31 -21.983 14.210 -4.068 1.00 60.24 O ATOM 398 CB LEU A 31 -24.754 14.081 -4.406 1.00 51.35 C ATOM 399 CG LEU A 31 -26.293 14.183 -4.660 1.00 32.34 C ATOM 400 CD1 LEU A 31 -26.752 13.107 -5.669 1.00 64.10 C ATOM 401 CD2 LEU A 31 -27.102 14.108 -3.342 1.00 32.44 C ATOM 0 H LEU A 31 -24.532 16.551 -4.945 1.00 22.22 H new ATOM 0 HA LEU A 31 -24.595 15.019 -2.468 1.00 53.40 H new ATOM 0 HB2 LEU A 31 -24.245 14.151 -5.367 1.00 51.35 H new ATOM 0 HB3 LEU A 31 -24.540 13.091 -4.004 1.00 51.35 H new ATOM 0 HG LEU A 31 -26.492 15.162 -5.096 1.00 32.34 H new ATOM 0 HD11 LEU A 31 -27.826 13.195 -5.832 1.00 64.10 H new ATOM 0 HD12 LEU A 31 -26.229 13.248 -6.615 1.00 64.10 H new ATOM 0 HD13 LEU A 31 -26.525 12.117 -5.273 1.00 64.10 H new ATOM 0 HD21 LEU A 31 -28.167 14.183 -3.564 1.00 32.44 H new ATOM 0 HD22 LEU A 31 -26.901 13.159 -2.845 1.00 32.44 H new ATOM 0 HD23 LEU A 31 -26.809 14.929 -2.688 1.00 32.44 H new ATOM 413 N ILE A 32 -22.038 15.612 -2.294 1.00 13.23 N ATOM 414 CA ILE A 32 -20.672 15.344 -1.837 1.00 70.32 C ATOM 415 C ILE A 32 -20.799 14.291 -0.727 1.00 12.54 C ATOM 416 O ILE A 32 -21.256 14.605 0.383 1.00 65.32 O ATOM 417 CB ILE A 32 -19.948 16.644 -1.315 1.00 11.24 C ATOM 418 CG1 ILE A 32 -20.047 17.803 -2.360 1.00 43.43 C ATOM 419 CG2 ILE A 32 -18.464 16.356 -0.941 1.00 71.41 C ATOM 420 CD1 ILE A 32 -19.397 17.530 -3.711 1.00 2.12 C ATOM 0 H ILE A 32 -22.502 16.366 -1.787 1.00 13.23 H new ATOM 0 HA ILE A 32 -20.055 14.987 -2.661 1.00 70.32 H new ATOM 0 HB ILE A 32 -20.462 16.964 -0.409 1.00 11.24 H new ATOM 0 HG12 ILE A 32 -21.100 18.032 -2.523 1.00 43.43 H new ATOM 0 HG13 ILE A 32 -19.590 18.695 -1.931 1.00 43.43 H new ATOM 0 HG21 ILE A 32 -17.994 17.273 -0.585 1.00 71.41 H new ATOM 0 HG22 ILE A 32 -18.427 15.601 -0.156 1.00 71.41 H new ATOM 0 HG23 ILE A 32 -17.931 15.993 -1.820 1.00 71.41 H new ATOM 0 HD11 ILE A 32 -19.524 18.398 -4.358 1.00 2.12 H new ATOM 0 HD12 ILE A 32 -18.334 17.335 -3.570 1.00 2.12 H new ATOM 0 HD13 ILE A 32 -19.867 16.662 -4.172 1.00 2.12 H new ATOM 432 N VAL A 33 -20.441 13.037 -1.070 1.00 25.43 N ATOM 433 CA VAL A 33 -20.701 11.833 -0.241 1.00 41.35 C ATOM 434 C VAL A 33 -20.128 11.948 1.187 1.00 44.54 C ATOM 435 O VAL A 33 -20.689 11.403 2.142 1.00 25.33 O ATOM 436 CB VAL A 33 -20.139 10.543 -0.956 1.00 41.14 C ATOM 437 CG1 VAL A 33 -20.877 10.297 -2.295 1.00 32.02 C ATOM 438 CG2 VAL A 33 -18.602 10.627 -1.176 1.00 63.11 C ATOM 0 H VAL A 33 -19.956 12.825 -1.942 1.00 25.43 H new ATOM 0 HA VAL A 33 -21.783 11.751 -0.138 1.00 41.35 H new ATOM 0 HB VAL A 33 -20.325 9.695 -0.297 1.00 41.14 H new ATOM 0 HG11 VAL A 33 -20.475 9.403 -2.773 1.00 32.02 H new ATOM 0 HG12 VAL A 33 -21.941 10.159 -2.104 1.00 32.02 H new ATOM 0 HG13 VAL A 33 -20.734 11.155 -2.952 1.00 32.02 H new ATOM 0 HG21 VAL A 33 -18.255 9.720 -1.671 1.00 63.11 H new ATOM 0 HG22 VAL A 33 -18.370 11.491 -1.799 1.00 63.11 H new ATOM 0 HG23 VAL A 33 -18.102 10.729 -0.213 1.00 63.11 H new ATOM 448 N ASP A 34 -19.028 12.686 1.300 1.00 62.20 N ATOM 449 CA ASP A 34 -18.331 12.946 2.567 1.00 11.04 C ATOM 450 C ASP A 34 -18.576 14.408 2.997 1.00 63.02 C ATOM 451 O ASP A 34 -18.572 15.302 2.147 1.00 63.43 O ATOM 452 CB ASP A 34 -16.809 12.707 2.388 1.00 54.23 C ATOM 453 CG ASP A 34 -16.180 13.628 1.316 1.00 63.01 C ATOM 454 OD1 ASP A 34 -16.462 13.434 0.108 1.00 4.34 O ATOM 455 OD2 ASP A 34 -15.438 14.562 1.671 1.00 4.30 O ATOM 0 H ASP A 34 -18.582 13.132 0.499 1.00 62.20 H new ATOM 0 HA ASP A 34 -18.712 12.271 3.333 1.00 11.04 H new ATOM 0 HB2 ASP A 34 -16.306 12.870 3.341 1.00 54.23 H new ATOM 0 HB3 ASP A 34 -16.639 11.666 2.111 1.00 54.23 H new ATOM 460 N PRO A 35 -18.823 14.680 4.309 1.00 40.14 N ATOM 461 CA PRO A 35 -18.805 16.050 4.855 1.00 51.44 C ATOM 462 C PRO A 35 -17.427 16.447 5.447 1.00 20.14 C ATOM 463 O PRO A 35 -17.343 17.416 6.215 1.00 10.25 O ATOM 464 CB PRO A 35 -19.904 15.959 5.936 1.00 62.11 C ATOM 465 CG PRO A 35 -19.766 14.566 6.491 1.00 62.13 C ATOM 466 CD PRO A 35 -19.228 13.698 5.351 1.00 11.31 C ATOM 0 HA PRO A 35 -18.978 16.822 4.105 1.00 51.44 H new ATOM 0 HB2 PRO A 35 -19.762 16.712 6.711 1.00 62.11 H new ATOM 0 HB3 PRO A 35 -20.894 16.121 5.511 1.00 62.11 H new ATOM 0 HG2 PRO A 35 -19.086 14.553 7.343 1.00 62.13 H new ATOM 0 HG3 PRO A 35 -20.727 14.192 6.844 1.00 62.13 H new ATOM 0 HD2 PRO A 35 -18.383 13.091 5.677 1.00 11.31 H new ATOM 0 HD3 PRO A 35 -19.989 13.012 4.979 1.00 11.31 H new ATOM 474 N LEU A 36 -16.344 15.707 5.081 1.00 65.54 N ATOM 475 CA LEU A 36 -14.986 15.997 5.593 1.00 0.23 C ATOM 476 C LEU A 36 -13.888 15.708 4.528 1.00 65.33 C ATOM 477 O LEU A 36 -13.254 16.654 4.031 1.00 5.11 O ATOM 478 CB LEU A 36 -14.701 15.274 6.969 1.00 44.54 C ATOM 479 CG LEU A 36 -14.510 13.712 7.003 1.00 4.41 C ATOM 480 CD1 LEU A 36 -14.104 13.231 8.409 1.00 42.31 C ATOM 481 CD2 LEU A 36 -15.757 12.952 6.513 1.00 52.30 C ATOM 0 H LEU A 36 -16.389 14.915 4.440 1.00 65.54 H new ATOM 0 HA LEU A 36 -14.945 17.067 5.796 1.00 0.23 H new ATOM 0 HB2 LEU A 36 -13.802 15.722 7.392 1.00 44.54 H new ATOM 0 HB3 LEU A 36 -15.524 15.516 7.641 1.00 44.54 H new ATOM 0 HG LEU A 36 -13.701 13.486 6.308 1.00 4.41 H new ATOM 0 HD11 LEU A 36 -13.979 12.148 8.401 1.00 42.31 H new ATOM 0 HD12 LEU A 36 -13.164 13.702 8.698 1.00 42.31 H new ATOM 0 HD13 LEU A 36 -14.880 13.502 9.124 1.00 42.31 H new ATOM 0 HD21 LEU A 36 -15.570 11.879 6.557 1.00 52.30 H new ATOM 0 HD22 LEU A 36 -16.607 13.199 7.149 1.00 52.30 H new ATOM 0 HD23 LEU A 36 -15.978 13.240 5.485 1.00 52.30 H new ATOM 493 N MET A 37 -13.715 14.414 4.152 1.00 21.33 N ATOM 494 CA MET A 37 -12.626 13.928 3.265 1.00 63.15 C ATOM 495 C MET A 37 -12.650 12.386 3.203 1.00 73.14 C ATOM 496 O MET A 37 -13.235 11.718 4.065 1.00 73.31 O ATOM 497 CB MET A 37 -11.205 14.376 3.757 1.00 5.22 C ATOM 498 CG MET A 37 -10.766 13.776 5.106 1.00 70.05 C ATOM 499 SD MET A 37 -9.083 14.236 5.571 1.00 42.12 S ATOM 500 CE MET A 37 -8.878 13.312 7.097 1.00 20.33 C ATOM 0 H MET A 37 -14.338 13.668 4.462 1.00 21.33 H new ATOM 0 HA MET A 37 -12.804 14.365 2.282 1.00 63.15 H new ATOM 0 HB2 MET A 37 -10.471 14.103 2.999 1.00 5.22 H new ATOM 0 HB3 MET A 37 -11.191 15.463 3.838 1.00 5.22 H new ATOM 0 HG2 MET A 37 -11.454 14.105 5.884 1.00 70.05 H new ATOM 0 HG3 MET A 37 -10.838 12.690 5.055 1.00 70.05 H new ATOM 0 HE1 MET A 37 -7.883 13.496 7.503 1.00 20.33 H new ATOM 0 HE2 MET A 37 -9.630 13.631 7.819 1.00 20.33 H new ATOM 0 HE3 MET A 37 -8.996 12.247 6.896 1.00 20.33 H new ATOM 510 N LYS A 38 -12.024 11.842 2.156 1.00 15.11 N ATOM 511 CA LYS A 38 -11.508 10.456 2.124 1.00 52.50 C ATOM 512 C LYS A 38 -10.043 10.547 1.696 1.00 63.22 C ATOM 513 O LYS A 38 -9.665 11.505 1.001 1.00 44.40 O ATOM 514 CB LYS A 38 -12.246 9.507 1.120 1.00 2.32 C ATOM 515 CG LYS A 38 -13.792 9.418 1.219 1.00 12.14 C ATOM 516 CD LYS A 38 -14.513 10.611 0.550 1.00 53.21 C ATOM 517 CE LYS A 38 -14.200 10.748 -0.950 1.00 62.12 C ATOM 518 NZ LYS A 38 -14.691 12.035 -1.508 1.00 14.33 N ATOM 0 H LYS A 38 -11.855 12.353 1.290 1.00 15.11 H new ATOM 0 HA LYS A 38 -11.660 10.026 3.114 1.00 52.50 H new ATOM 0 HB2 LYS A 38 -11.992 9.825 0.109 1.00 2.32 H new ATOM 0 HB3 LYS A 38 -11.843 8.503 1.249 1.00 2.32 H new ATOM 0 HG2 LYS A 38 -14.127 8.491 0.753 1.00 12.14 H new ATOM 0 HG3 LYS A 38 -14.081 9.369 2.269 1.00 12.14 H new ATOM 0 HD2 LYS A 38 -15.589 10.496 0.680 1.00 53.21 H new ATOM 0 HD3 LYS A 38 -14.227 11.531 1.059 1.00 53.21 H new ATOM 0 HE2 LYS A 38 -13.123 10.674 -1.104 1.00 62.12 H new ATOM 0 HE3 LYS A 38 -14.657 9.920 -1.492 1.00 62.12 H new ATOM 0 HZ1 LYS A 38 -15.197 11.857 -2.399 1.00 14.33 H new ATOM 0 HZ2 LYS A 38 -15.336 12.485 -0.828 1.00 14.33 H new ATOM 0 HZ3 LYS A 38 -13.884 12.666 -1.688 1.00 14.33 H new ATOM 532 N TYR A 39 -9.218 9.568 2.091 1.00 33.41 N ATOM 533 CA TYR A 39 -7.839 9.465 1.584 1.00 14.34 C ATOM 534 C TYR A 39 -7.858 8.955 0.131 1.00 1.22 C ATOM 535 O TYR A 39 -7.226 9.553 -0.755 1.00 14.22 O ATOM 536 CB TYR A 39 -6.973 8.543 2.482 1.00 23.24 C ATOM 537 CG TYR A 39 -6.841 9.006 3.943 1.00 21.31 C ATOM 538 CD1 TYR A 39 -6.661 10.359 4.264 1.00 75.24 C ATOM 539 CD2 TYR A 39 -6.888 8.092 4.997 1.00 1.34 C ATOM 540 CE1 TYR A 39 -6.534 10.767 5.577 1.00 13.11 C ATOM 541 CE2 TYR A 39 -6.758 8.499 6.307 1.00 43.43 C ATOM 542 CZ TYR A 39 -6.584 9.833 6.595 1.00 12.43 C ATOM 543 OH TYR A 39 -6.452 10.242 7.909 1.00 2.33 O ATOM 0 H TYR A 39 -9.477 8.839 2.756 1.00 33.41 H new ATOM 0 HA TYR A 39 -7.387 10.456 1.608 1.00 14.34 H new ATOM 0 HB2 TYR A 39 -7.402 7.541 2.470 1.00 23.24 H new ATOM 0 HB3 TYR A 39 -5.976 8.468 2.048 1.00 23.24 H new ATOM 0 HD1 TYR A 39 -6.621 11.093 3.473 1.00 75.24 H new ATOM 0 HD2 TYR A 39 -7.029 7.043 4.781 1.00 1.34 H new ATOM 0 HE1 TYR A 39 -6.396 11.813 5.808 1.00 13.11 H new ATOM 0 HE2 TYR A 39 -6.793 7.773 7.106 1.00 43.43 H new ATOM 0 HH TYR A 39 -6.511 9.464 8.501 1.00 2.33 H new ATOM 553 N ILE A 40 -8.648 7.871 -0.078 1.00 40.11 N ATOM 554 CA ILE A 40 -8.784 7.151 -1.365 1.00 44.34 C ATOM 555 C ILE A 40 -7.461 6.430 -1.765 1.00 44.42 C ATOM 556 O ILE A 40 -6.370 6.828 -1.352 1.00 42.42 O ATOM 557 CB ILE A 40 -9.341 8.115 -2.505 1.00 74.43 C ATOM 558 CG1 ILE A 40 -10.861 8.408 -2.278 1.00 14.31 C ATOM 559 CG2 ILE A 40 -9.088 7.584 -3.927 1.00 11.33 C ATOM 560 CD1 ILE A 40 -11.506 9.335 -3.306 1.00 24.45 C ATOM 0 H ILE A 40 -9.220 7.466 0.663 1.00 40.11 H new ATOM 0 HA ILE A 40 -9.525 6.362 -1.236 1.00 44.34 H new ATOM 0 HB ILE A 40 -8.782 9.047 -2.427 1.00 74.43 H new ATOM 0 HG12 ILE A 40 -11.401 7.461 -2.277 1.00 14.31 H new ATOM 0 HG13 ILE A 40 -10.986 8.847 -1.288 1.00 14.31 H new ATOM 0 HG21 ILE A 40 -9.492 8.287 -4.655 1.00 11.33 H new ATOM 0 HG22 ILE A 40 -8.016 7.471 -4.088 1.00 11.33 H new ATOM 0 HG23 ILE A 40 -9.577 6.617 -4.047 1.00 11.33 H new ATOM 0 HD11 ILE A 40 -12.559 9.475 -3.060 1.00 24.45 H new ATOM 0 HD12 ILE A 40 -10.999 10.300 -3.294 1.00 24.45 H new ATOM 0 HD13 ILE A 40 -11.421 8.893 -4.299 1.00 24.45 H new ATOM 572 N CYS A 41 -7.575 5.335 -2.537 1.00 15.53 N ATOM 573 CA CYS A 41 -6.416 4.632 -3.075 1.00 53.24 C ATOM 574 C CYS A 41 -5.869 5.420 -4.277 1.00 24.44 C ATOM 575 O CYS A 41 -6.527 5.505 -5.324 1.00 45.43 O ATOM 576 CB CYS A 41 -6.802 3.205 -3.460 1.00 14.35 C ATOM 577 SG CYS A 41 -5.469 2.215 -4.212 1.00 42.13 S ATOM 0 H CYS A 41 -8.470 4.921 -2.799 1.00 15.53 H new ATOM 0 HA CYS A 41 -5.632 4.564 -2.321 1.00 53.24 H new ATOM 0 HB2 CYS A 41 -7.157 2.689 -2.568 1.00 14.35 H new ATOM 0 HB3 CYS A 41 -7.638 3.248 -4.158 1.00 14.35 H new ATOM 582 N HIS A 42 -4.676 6.012 -4.084 1.00 23.04 N ATOM 583 CA HIS A 42 -4.034 6.964 -5.022 1.00 32.43 C ATOM 584 C HIS A 42 -3.791 6.374 -6.429 1.00 41.52 C ATOM 585 O HIS A 42 -3.583 7.117 -7.388 1.00 13.13 O ATOM 586 CB HIS A 42 -2.701 7.423 -4.390 1.00 13.13 C ATOM 587 CG HIS A 42 -2.059 8.646 -4.985 1.00 74.44 C ATOM 588 ND1 HIS A 42 -0.722 8.708 -5.302 1.00 0.01 N ATOM 589 CD2 HIS A 42 -2.562 9.875 -5.251 1.00 11.11 C ATOM 590 CE1 HIS A 42 -0.430 9.916 -5.726 1.00 43.43 C ATOM 591 NE2 HIS A 42 -1.528 10.642 -5.706 1.00 64.42 N ATOM 0 H HIS A 42 -4.113 5.840 -3.251 1.00 23.04 H new ATOM 0 HA HIS A 42 -4.712 7.804 -5.173 1.00 32.43 H new ATOM 0 HB2 HIS A 42 -2.873 7.610 -3.330 1.00 13.13 H new ATOM 0 HB3 HIS A 42 -1.991 6.599 -4.457 1.00 13.13 H new ATOM 0 HD2 HIS A 42 -3.588 10.189 -5.127 1.00 11.11 H new ATOM 0 HE1 HIS A 42 0.546 10.256 -6.038 1.00 43.43 H new ATOM 0 HE2 HIS A 42 -1.596 11.621 -5.986 1.00 64.42 H new ATOM 600 N ILE A 43 -3.846 5.032 -6.539 1.00 23.41 N ATOM 601 CA ILE A 43 -3.537 4.310 -7.784 1.00 44.35 C ATOM 602 C ILE A 43 -4.832 3.884 -8.518 1.00 45.50 C ATOM 603 O ILE A 43 -4.912 3.994 -9.747 1.00 30.44 O ATOM 604 CB ILE A 43 -2.613 3.057 -7.491 1.00 21.14 C ATOM 605 CG1 ILE A 43 -1.292 3.523 -6.801 1.00 35.13 C ATOM 606 CG2 ILE A 43 -2.316 2.253 -8.785 1.00 15.23 C ATOM 607 CD1 ILE A 43 -0.319 2.413 -6.463 1.00 2.33 C ATOM 0 H ILE A 43 -4.106 4.420 -5.766 1.00 23.41 H new ATOM 0 HA ILE A 43 -2.991 4.988 -8.440 1.00 44.35 H new ATOM 0 HB ILE A 43 -3.145 2.387 -6.815 1.00 21.14 H new ATOM 0 HG12 ILE A 43 -0.791 4.238 -7.454 1.00 35.13 H new ATOM 0 HG13 ILE A 43 -1.547 4.054 -5.884 1.00 35.13 H new ATOM 0 HG21 ILE A 43 -1.680 1.401 -8.546 1.00 15.23 H new ATOM 0 HG22 ILE A 43 -3.252 1.897 -9.215 1.00 15.23 H new ATOM 0 HG23 ILE A 43 -1.807 2.895 -9.504 1.00 15.23 H new ATOM 0 HD11 ILE A 43 0.566 2.837 -5.988 1.00 2.33 H new ATOM 0 HD12 ILE A 43 -0.794 1.708 -5.781 1.00 2.33 H new ATOM 0 HD13 ILE A 43 -0.027 1.894 -7.376 1.00 2.33 H new ATOM 619 N CYS A 44 -5.863 3.435 -7.773 1.00 33.43 N ATOM 620 CA CYS A 44 -7.076 2.832 -8.391 1.00 11.42 C ATOM 621 C CYS A 44 -8.291 3.790 -8.354 1.00 62.32 C ATOM 622 O CYS A 44 -9.388 3.406 -8.791 1.00 54.03 O ATOM 623 CB CYS A 44 -7.394 1.478 -7.709 1.00 24.14 C ATOM 624 SG CYS A 44 -7.844 1.609 -5.953 1.00 55.14 S ATOM 0 H CYS A 44 -5.887 3.475 -6.754 1.00 33.43 H new ATOM 0 HA CYS A 44 -6.865 2.652 -9.445 1.00 11.42 H new ATOM 0 HB2 CYS A 44 -8.212 0.998 -8.246 1.00 24.14 H new ATOM 0 HB3 CYS A 44 -6.526 0.826 -7.801 1.00 24.14 H new ATOM 0 HG CYS A 44 -6.915 1.064 -5.225 1.00 55.14 H new ATOM 629 N ASN A 45 -8.080 5.025 -7.829 1.00 45.54 N ATOM 630 CA ASN A 45 -9.056 6.161 -7.881 1.00 33.25 C ATOM 631 C ASN A 45 -10.231 6.020 -6.883 1.00 25.23 C ATOM 632 O ASN A 45 -10.866 7.020 -6.531 1.00 10.45 O ATOM 633 CB ASN A 45 -9.578 6.415 -9.338 1.00 60.53 C ATOM 634 CG ASN A 45 -10.486 7.645 -9.517 1.00 72.34 C ATOM 635 OD1 ASN A 45 -11.390 7.643 -10.352 1.00 52.13 O ATOM 636 ND2 ASN A 45 -10.253 8.713 -8.765 1.00 65.04 N ATOM 0 H ASN A 45 -7.214 5.270 -7.348 1.00 45.54 H new ATOM 0 HA ASN A 45 -8.493 7.039 -7.562 1.00 33.25 H new ATOM 0 HB2 ASN A 45 -8.718 6.522 -9.999 1.00 60.53 H new ATOM 0 HB3 ASN A 45 -10.125 5.532 -9.667 1.00 60.53 H new ATOM 0 HD21 ASN A 45 -10.827 9.549 -8.874 1.00 65.04 H new ATOM 0 HD22 ASN A 45 -9.500 8.698 -8.077 1.00 65.04 H new ATOM 643 N ARG A 46 -10.532 4.792 -6.417 1.00 74.40 N ATOM 644 CA ARG A 46 -11.613 4.548 -5.428 1.00 43.31 C ATOM 645 C ARG A 46 -11.031 4.034 -4.100 1.00 61.22 C ATOM 646 O ARG A 46 -10.008 3.331 -4.081 1.00 72.53 O ATOM 647 CB ARG A 46 -12.673 3.545 -5.994 1.00 71.52 C ATOM 648 CG ARG A 46 -13.902 4.196 -6.670 1.00 61.54 C ATOM 649 CD ARG A 46 -13.578 5.017 -7.931 1.00 25.13 C ATOM 650 NE ARG A 46 -14.791 5.673 -8.447 1.00 72.34 N ATOM 651 CZ ARG A 46 -14.918 6.272 -9.635 1.00 10.11 C ATOM 652 NH1 ARG A 46 -13.903 6.332 -10.497 1.00 40.21 N ATOM 653 NH2 ARG A 46 -16.081 6.818 -9.954 1.00 3.35 N ATOM 0 H ARG A 46 -10.042 3.946 -6.708 1.00 74.40 H new ATOM 0 HA ARG A 46 -12.115 5.496 -5.236 1.00 43.31 H new ATOM 0 HB2 ARG A 46 -12.183 2.894 -6.718 1.00 71.52 H new ATOM 0 HB3 ARG A 46 -13.021 2.911 -5.179 1.00 71.52 H new ATOM 0 HG2 ARG A 46 -14.612 3.413 -6.935 1.00 61.54 H new ATOM 0 HG3 ARG A 46 -14.397 4.844 -5.947 1.00 61.54 H new ATOM 0 HD2 ARG A 46 -12.823 5.768 -7.699 1.00 25.13 H new ATOM 0 HD3 ARG A 46 -13.156 4.366 -8.697 1.00 25.13 H new ATOM 0 HE ARG A 46 -15.611 5.670 -7.841 1.00 72.34 H new ATOM 0 HH11 ARG A 46 -13.004 5.915 -10.256 1.00 40.21 H new ATOM 0 HH12 ARG A 46 -14.025 6.795 -11.398 1.00 40.21 H new ATOM 0 HH21 ARG A 46 -16.861 6.777 -9.298 1.00 3.35 H new ATOM 0 HH22 ARG A 46 -16.197 7.280 -10.856 1.00 3.35 H new ATOM 667 N GLY A 47 -11.712 4.392 -2.998 1.00 40.52 N ATOM 668 CA GLY A 47 -11.392 3.896 -1.660 1.00 61.14 C ATOM 669 C GLY A 47 -12.316 2.747 -1.263 1.00 21.53 C ATOM 670 O GLY A 47 -12.876 2.733 -0.162 1.00 22.11 O ATOM 0 H GLY A 47 -12.502 5.037 -3.017 1.00 40.52 H new ATOM 0 HA2 GLY A 47 -10.356 3.559 -1.632 1.00 61.14 H new ATOM 0 HA3 GLY A 47 -11.484 4.707 -0.937 1.00 61.14 H new ATOM 674 N ASP A 48 -12.478 1.785 -2.194 1.00 2.35 N ATOM 675 CA ASP A 48 -13.250 0.542 -1.984 1.00 72.30 C ATOM 676 C ASP A 48 -12.281 -0.571 -1.554 1.00 44.43 C ATOM 677 O ASP A 48 -11.084 -0.468 -1.824 1.00 13.24 O ATOM 678 CB ASP A 48 -13.995 0.136 -3.290 1.00 53.40 C ATOM 679 CG ASP A 48 -13.057 -0.326 -4.429 1.00 50.33 C ATOM 680 OD1 ASP A 48 -12.242 0.493 -4.906 1.00 11.51 O ATOM 681 OD2 ASP A 48 -13.128 -1.503 -4.858 1.00 42.54 O ATOM 0 H ASP A 48 -12.070 1.850 -3.127 1.00 2.35 H new ATOM 0 HA ASP A 48 -13.998 0.702 -1.207 1.00 72.30 H new ATOM 0 HB2 ASP A 48 -14.696 -0.667 -3.062 1.00 53.40 H new ATOM 0 HB3 ASP A 48 -14.584 0.984 -3.639 1.00 53.40 H new ATOM 686 N VAL A 49 -12.815 -1.643 -0.928 1.00 3.25 N ATOM 687 CA VAL A 49 -12.006 -2.747 -0.346 1.00 32.05 C ATOM 688 C VAL A 49 -11.031 -2.152 0.708 1.00 74.32 C ATOM 689 O VAL A 49 -9.803 -2.293 0.634 1.00 42.11 O ATOM 690 CB VAL A 49 -11.248 -3.605 -1.444 1.00 64.32 C ATOM 691 CG1 VAL A 49 -10.658 -4.900 -0.852 1.00 73.54 C ATOM 692 CG2 VAL A 49 -12.156 -3.929 -2.650 1.00 31.33 C ATOM 0 H VAL A 49 -13.820 -1.771 -0.810 1.00 3.25 H new ATOM 0 HA VAL A 49 -12.681 -3.450 0.142 1.00 32.05 H new ATOM 0 HB VAL A 49 -10.422 -2.990 -1.801 1.00 64.32 H new ATOM 0 HG11 VAL A 49 -10.147 -5.459 -1.636 1.00 73.54 H new ATOM 0 HG12 VAL A 49 -9.948 -4.649 -0.064 1.00 73.54 H new ATOM 0 HG13 VAL A 49 -11.461 -5.509 -0.437 1.00 73.54 H new ATOM 0 HG21 VAL A 49 -11.598 -4.518 -3.378 1.00 31.33 H new ATOM 0 HG22 VAL A 49 -13.022 -4.498 -2.311 1.00 31.33 H new ATOM 0 HG23 VAL A 49 -12.490 -3.001 -3.114 1.00 31.33 H new ATOM 702 N GLU A 50 -11.636 -1.447 1.675 1.00 1.43 N ATOM 703 CA GLU A 50 -10.930 -0.660 2.707 1.00 40.32 C ATOM 704 C GLU A 50 -10.061 -1.529 3.633 1.00 24.15 C ATOM 705 O GLU A 50 -9.103 -1.040 4.238 1.00 72.34 O ATOM 706 CB GLU A 50 -11.974 0.145 3.524 1.00 31.54 C ATOM 707 CG GLU A 50 -12.780 1.149 2.667 1.00 22.52 C ATOM 708 CD GLU A 50 -13.990 1.762 3.393 1.00 64.35 C ATOM 709 OE1 GLU A 50 -13.794 2.665 4.239 1.00 62.12 O ATOM 710 OE2 GLU A 50 -15.141 1.349 3.116 1.00 31.13 O ATOM 0 H GLU A 50 -12.651 -1.405 1.767 1.00 1.43 H new ATOM 0 HA GLU A 50 -10.242 0.019 2.202 1.00 40.32 H new ATOM 0 HB2 GLU A 50 -12.664 -0.550 4.003 1.00 31.54 H new ATOM 0 HB3 GLU A 50 -11.463 0.686 4.320 1.00 31.54 H new ATOM 0 HG2 GLU A 50 -12.116 1.952 2.347 1.00 22.52 H new ATOM 0 HG3 GLU A 50 -13.128 0.644 1.766 1.00 22.52 H new ATOM 717 N GLU A 51 -10.408 -2.820 3.733 1.00 65.50 N ATOM 718 CA GLU A 51 -9.671 -3.792 4.555 1.00 20.34 C ATOM 719 C GLU A 51 -8.308 -4.168 3.926 1.00 75.43 C ATOM 720 O GLU A 51 -7.408 -4.639 4.631 1.00 20.54 O ATOM 721 CB GLU A 51 -10.553 -5.048 4.761 1.00 11.43 C ATOM 722 CG GLU A 51 -11.885 -4.772 5.493 1.00 34.21 C ATOM 723 CD GLU A 51 -12.787 -6.014 5.583 1.00 5.03 C ATOM 724 OE1 GLU A 51 -12.487 -6.913 6.395 1.00 23.14 O ATOM 725 OE2 GLU A 51 -13.786 -6.106 4.835 1.00 64.44 O ATOM 0 H GLU A 51 -11.209 -3.221 3.245 1.00 65.50 H new ATOM 0 HA GLU A 51 -9.451 -3.336 5.520 1.00 20.34 H new ATOM 0 HB2 GLU A 51 -10.770 -5.489 3.788 1.00 11.43 H new ATOM 0 HB3 GLU A 51 -9.986 -5.787 5.327 1.00 11.43 H new ATOM 0 HG2 GLU A 51 -11.673 -4.410 6.499 1.00 34.21 H new ATOM 0 HG3 GLU A 51 -12.421 -3.977 4.974 1.00 34.21 H new ATOM 732 N SER A 52 -8.159 -3.960 2.608 1.00 64.43 N ATOM 733 CA SER A 52 -6.929 -4.325 1.875 1.00 74.32 C ATOM 734 C SER A 52 -5.975 -3.124 1.715 1.00 70.54 C ATOM 735 O SER A 52 -4.851 -3.292 1.213 1.00 65.03 O ATOM 736 CB SER A 52 -7.293 -4.914 0.495 1.00 64.13 C ATOM 737 OG SER A 52 -6.148 -5.395 -0.198 1.00 62.31 O ATOM 0 H SER A 52 -8.879 -3.538 2.022 1.00 64.43 H new ATOM 0 HA SER A 52 -6.403 -5.079 2.461 1.00 74.32 H new ATOM 0 HB2 SER A 52 -8.006 -5.728 0.625 1.00 64.13 H new ATOM 0 HB3 SER A 52 -7.786 -4.150 -0.106 1.00 64.13 H new ATOM 0 HG SER A 52 -6.297 -5.325 -1.164 1.00 62.31 H new ATOM 743 N MET A 53 -6.398 -1.903 2.138 1.00 34.20 N ATOM 744 CA MET A 53 -5.544 -0.705 2.000 1.00 13.01 C ATOM 745 C MET A 53 -4.654 -0.555 3.242 1.00 50.34 C ATOM 746 O MET A 53 -5.124 -0.624 4.384 1.00 61.22 O ATOM 747 CB MET A 53 -6.346 0.607 1.717 1.00 44.33 C ATOM 748 CG MET A 53 -7.272 1.100 2.830 1.00 54.41 C ATOM 749 SD MET A 53 -8.113 2.645 2.406 1.00 11.11 S ATOM 750 CE MET A 53 -9.033 2.205 0.929 1.00 1.00 C ATOM 0 H MET A 53 -7.307 -1.729 2.568 1.00 34.20 H new ATOM 0 HA MET A 53 -4.920 -0.859 1.120 1.00 13.01 H new ATOM 0 HB2 MET A 53 -5.633 1.400 1.492 1.00 44.33 H new ATOM 0 HB3 MET A 53 -6.945 0.453 0.819 1.00 44.33 H new ATOM 0 HG2 MET A 53 -8.016 0.333 3.044 1.00 54.41 H new ATOM 0 HG3 MET A 53 -6.692 1.245 3.742 1.00 54.41 H new ATOM 0 HE1 MET A 53 -8.615 2.731 0.070 1.00 1.00 H new ATOM 0 HE2 MET A 53 -8.965 1.130 0.765 1.00 1.00 H new ATOM 0 HE3 MET A 53 -10.078 2.487 1.054 1.00 1.00 H new ATOM 760 N LEU A 54 -3.359 -0.407 2.981 1.00 55.15 N ATOM 761 CA LEU A 54 -2.342 -0.147 3.994 1.00 21.23 C ATOM 762 C LEU A 54 -2.068 1.369 4.022 1.00 75.04 C ATOM 763 O LEU A 54 -1.889 1.991 2.969 1.00 73.43 O ATOM 764 CB LEU A 54 -1.060 -0.957 3.660 1.00 52.02 C ATOM 765 CG LEU A 54 -1.219 -2.512 3.651 1.00 10.21 C ATOM 766 CD1 LEU A 54 0.046 -3.202 3.111 1.00 72.25 C ATOM 767 CD2 LEU A 54 -1.575 -3.049 5.049 1.00 11.34 C ATOM 0 H LEU A 54 -2.979 -0.466 2.036 1.00 55.15 H new ATOM 0 HA LEU A 54 -2.681 -0.462 4.981 1.00 21.23 H new ATOM 0 HB2 LEU A 54 -0.699 -0.642 2.681 1.00 52.02 H new ATOM 0 HB3 LEU A 54 -0.288 -0.694 4.384 1.00 52.02 H new ATOM 0 HG LEU A 54 -2.045 -2.748 2.980 1.00 10.21 H new ATOM 0 HD11 LEU A 54 -0.098 -4.282 3.118 1.00 72.25 H new ATOM 0 HD12 LEU A 54 0.235 -2.868 2.091 1.00 72.25 H new ATOM 0 HD13 LEU A 54 0.898 -2.945 3.741 1.00 72.25 H new ATOM 0 HD21 LEU A 54 -1.678 -4.133 5.007 1.00 11.34 H new ATOM 0 HD22 LEU A 54 -0.784 -2.787 5.752 1.00 11.34 H new ATOM 0 HD23 LEU A 54 -2.515 -2.608 5.380 1.00 11.34 H new ATOM 779 N LEU A 55 -2.055 1.953 5.227 1.00 74.43 N ATOM 780 CA LEU A 55 -1.910 3.406 5.431 1.00 4.35 C ATOM 781 C LEU A 55 -0.441 3.680 5.827 1.00 21.54 C ATOM 782 O LEU A 55 0.100 2.993 6.703 1.00 23.01 O ATOM 783 CB LEU A 55 -2.915 3.869 6.555 1.00 51.15 C ATOM 784 CG LEU A 55 -3.409 5.367 6.553 1.00 63.33 C ATOM 785 CD1 LEU A 55 -2.268 6.385 6.693 1.00 55.32 C ATOM 786 CD2 LEU A 55 -4.253 5.661 5.302 1.00 65.01 C ATOM 0 H LEU A 55 -2.145 1.429 6.097 1.00 74.43 H new ATOM 0 HA LEU A 55 -2.144 3.967 4.526 1.00 4.35 H new ATOM 0 HB2 LEU A 55 -3.796 3.230 6.496 1.00 51.15 H new ATOM 0 HB3 LEU A 55 -2.445 3.676 7.519 1.00 51.15 H new ATOM 0 HG LEU A 55 -4.032 5.484 7.439 1.00 63.33 H new ATOM 0 HD11 LEU A 55 -2.678 7.395 6.684 1.00 55.32 H new ATOM 0 HD12 LEU A 55 -1.742 6.215 7.632 1.00 55.32 H new ATOM 0 HD13 LEU A 55 -1.573 6.269 5.862 1.00 55.32 H new ATOM 0 HD21 LEU A 55 -4.583 6.700 5.322 1.00 65.01 H new ATOM 0 HD22 LEU A 55 -3.652 5.488 4.409 1.00 65.01 H new ATOM 0 HD23 LEU A 55 -5.123 5.004 5.287 1.00 65.01 H new ATOM 798 N CYS A 56 0.190 4.666 5.166 1.00 33.01 N ATOM 799 CA CYS A 56 1.561 5.084 5.476 1.00 42.53 C ATOM 800 C CYS A 56 1.564 6.008 6.708 1.00 32.53 C ATOM 801 O CYS A 56 0.972 7.088 6.663 1.00 10.24 O ATOM 802 CB CYS A 56 2.185 5.803 4.276 1.00 15.33 C ATOM 803 SG CYS A 56 3.859 6.475 4.608 1.00 74.54 S ATOM 0 H CYS A 56 -0.238 5.192 4.404 1.00 33.01 H new ATOM 0 HA CYS A 56 2.155 4.197 5.696 1.00 42.53 H new ATOM 0 HB2 CYS A 56 2.241 5.109 3.437 1.00 15.33 H new ATOM 0 HB3 CYS A 56 1.529 6.619 3.971 1.00 15.33 H new ATOM 808 N ASP A 57 2.234 5.560 7.790 1.00 44.20 N ATOM 809 CA ASP A 57 2.322 6.293 9.076 1.00 64.22 C ATOM 810 C ASP A 57 3.033 7.645 8.897 1.00 54.22 C ATOM 811 O ASP A 57 2.674 8.634 9.537 1.00 70.40 O ATOM 812 CB ASP A 57 3.074 5.434 10.137 1.00 72.53 C ATOM 813 CG ASP A 57 2.435 4.048 10.379 1.00 51.45 C ATOM 814 OD1 ASP A 57 2.438 3.214 9.445 1.00 24.44 O ATOM 815 OD2 ASP A 57 1.955 3.770 11.503 1.00 71.03 O ATOM 0 H ASP A 57 2.735 4.671 7.798 1.00 44.20 H new ATOM 0 HA ASP A 57 1.307 6.484 9.423 1.00 64.22 H new ATOM 0 HB2 ASP A 57 4.106 5.297 9.815 1.00 72.53 H new ATOM 0 HB3 ASP A 57 3.103 5.980 11.080 1.00 72.53 H new ATOM 820 N GLY A 58 4.053 7.659 8.007 1.00 61.41 N ATOM 821 CA GLY A 58 4.799 8.878 7.670 1.00 30.41 C ATOM 822 C GLY A 58 4.256 9.613 6.441 1.00 11.34 C ATOM 823 O GLY A 58 5.007 10.309 5.760 1.00 4.23 O ATOM 0 H GLY A 58 4.374 6.828 7.510 1.00 61.41 H new ATOM 0 HA2 GLY A 58 4.778 9.554 8.525 1.00 30.41 H new ATOM 0 HA3 GLY A 58 5.843 8.618 7.495 1.00 30.41 H new ATOM 827 N CYS A 59 2.956 9.416 6.143 1.00 1.33 N ATOM 828 CA CYS A 59 2.212 10.140 5.091 1.00 73.44 C ATOM 829 C CYS A 59 0.728 10.221 5.512 1.00 41.43 C ATOM 830 O CYS A 59 0.383 9.924 6.672 1.00 61.34 O ATOM 831 CB CYS A 59 2.375 9.449 3.708 1.00 30.34 C ATOM 832 SG CYS A 59 4.091 9.438 3.080 1.00 31.03 S ATOM 0 H CYS A 59 2.381 8.734 6.638 1.00 1.33 H new ATOM 0 HA CYS A 59 2.615 11.147 4.983 1.00 73.44 H new ATOM 0 HB2 CYS A 59 2.020 8.421 3.783 1.00 30.34 H new ATOM 0 HB3 CYS A 59 1.737 9.955 2.983 1.00 30.34 H new ATOM 0 HG CYS A 59 4.705 8.378 3.514 1.00 31.03 H new ATOM 837 N ASP A 60 -0.141 10.649 4.583 1.00 72.15 N ATOM 838 CA ASP A 60 -1.602 10.755 4.810 1.00 25.43 C ATOM 839 C ASP A 60 -2.357 9.786 3.874 1.00 41.04 C ATOM 840 O ASP A 60 -3.572 9.629 3.982 1.00 62.44 O ATOM 841 CB ASP A 60 -2.082 12.221 4.556 1.00 52.31 C ATOM 842 CG ASP A 60 -1.328 13.277 5.394 1.00 2.42 C ATOM 843 OD1 ASP A 60 -1.758 13.576 6.533 1.00 34.52 O ATOM 844 OD2 ASP A 60 -0.294 13.816 4.915 1.00 63.03 O ATOM 0 H ASP A 60 0.145 10.934 3.647 1.00 72.15 H new ATOM 0 HA ASP A 60 -1.815 10.487 5.845 1.00 25.43 H new ATOM 0 HB2 ASP A 60 -1.960 12.455 3.498 1.00 52.31 H new ATOM 0 HB3 ASP A 60 -3.147 12.288 4.777 1.00 52.31 H new ATOM 849 N ASP A 61 -1.606 9.106 2.982 1.00 42.33 N ATOM 850 CA ASP A 61 -2.177 8.377 1.824 1.00 51.33 C ATOM 851 C ASP A 61 -2.456 6.888 2.168 1.00 35.14 C ATOM 852 O ASP A 61 -1.797 6.308 3.042 1.00 42.31 O ATOM 853 CB ASP A 61 -1.193 8.470 0.608 1.00 74.25 C ATOM 854 CG ASP A 61 -1.894 8.386 -0.766 1.00 11.33 C ATOM 855 OD1 ASP A 61 -2.467 7.327 -1.091 1.00 34.42 O ATOM 856 OD2 ASP A 61 -1.870 9.387 -1.533 1.00 51.51 O ATOM 0 H ASP A 61 -0.590 9.045 3.042 1.00 42.33 H new ATOM 0 HA ASP A 61 -3.128 8.842 1.566 1.00 51.33 H new ATOM 0 HB2 ASP A 61 -0.643 9.409 0.668 1.00 74.25 H new ATOM 0 HB3 ASP A 61 -0.461 7.666 0.682 1.00 74.25 H new ATOM 861 N SER A 62 -3.419 6.287 1.436 1.00 53.33 N ATOM 862 CA SER A 62 -3.782 4.858 1.535 1.00 21.23 C ATOM 863 C SER A 62 -3.527 4.155 0.185 1.00 55.54 C ATOM 864 O SER A 62 -3.989 4.621 -0.862 1.00 42.30 O ATOM 865 CB SER A 62 -5.267 4.716 1.953 1.00 15.04 C ATOM 866 OG SER A 62 -6.140 5.428 1.090 1.00 61.23 O ATOM 0 H SER A 62 -3.976 6.792 0.747 1.00 53.33 H new ATOM 0 HA SER A 62 -3.162 4.383 2.295 1.00 21.23 H new ATOM 0 HB2 SER A 62 -5.542 3.661 1.955 1.00 15.04 H new ATOM 0 HB3 SER A 62 -5.391 5.080 2.973 1.00 15.04 H new ATOM 0 HG SER A 62 -5.693 5.589 0.233 1.00 61.23 H new ATOM 872 N TYR A 63 -2.784 3.042 0.220 1.00 75.42 N ATOM 873 CA TYR A 63 -2.478 2.219 -0.965 1.00 71.12 C ATOM 874 C TYR A 63 -2.880 0.762 -0.696 1.00 22.35 C ATOM 875 O TYR A 63 -2.430 0.178 0.295 1.00 41.23 O ATOM 876 CB TYR A 63 -0.958 2.290 -1.292 1.00 22.31 C ATOM 877 CG TYR A 63 -0.445 3.661 -1.783 1.00 25.11 C ATOM 878 CD1 TYR A 63 -0.458 3.975 -3.139 1.00 62.41 C ATOM 879 CD2 TYR A 63 0.054 4.631 -0.898 1.00 11.54 C ATOM 880 CE1 TYR A 63 0.009 5.189 -3.600 1.00 61.14 C ATOM 881 CE2 TYR A 63 0.524 5.849 -1.359 1.00 3.23 C ATOM 882 CZ TYR A 63 0.495 6.124 -2.713 1.00 5.41 C ATOM 883 OH TYR A 63 0.953 7.339 -3.184 1.00 64.21 O ATOM 0 H TYR A 63 -2.372 2.680 1.080 1.00 75.42 H new ATOM 0 HA TYR A 63 -3.040 2.602 -1.817 1.00 71.12 H new ATOM 0 HB2 TYR A 63 -0.399 2.012 -0.399 1.00 22.31 H new ATOM 0 HB3 TYR A 63 -0.733 1.544 -2.054 1.00 22.31 H new ATOM 0 HD1 TYR A 63 -0.842 3.253 -3.845 1.00 62.41 H new ATOM 0 HD2 TYR A 63 0.071 4.423 0.162 1.00 11.54 H new ATOM 0 HE1 TYR A 63 -0.007 5.406 -4.658 1.00 61.14 H new ATOM 0 HE2 TYR A 63 0.911 6.580 -0.664 1.00 3.23 H new ATOM 0 HH TYR A 63 0.325 7.690 -3.850 1.00 64.21 H new ATOM 893 N HIS A 64 -3.723 0.176 -1.579 1.00 35.43 N ATOM 894 CA HIS A 64 -4.084 -1.258 -1.498 1.00 65.52 C ATOM 895 C HIS A 64 -2.871 -2.136 -1.796 1.00 42.10 C ATOM 896 O HIS A 64 -1.978 -1.729 -2.545 1.00 74.32 O ATOM 897 CB HIS A 64 -5.225 -1.621 -2.484 1.00 11.22 C ATOM 898 CG HIS A 64 -6.538 -0.998 -2.162 1.00 45.43 C ATOM 899 ND1 HIS A 64 -7.094 -0.005 -2.933 1.00 22.11 N ATOM 900 CD2 HIS A 64 -7.357 -1.266 -1.130 1.00 13.31 C ATOM 901 CE1 HIS A 64 -8.238 0.293 -2.328 1.00 21.13 C ATOM 902 NE2 HIS A 64 -8.421 -0.441 -1.236 1.00 73.23 N ATOM 0 H HIS A 64 -4.164 0.673 -2.353 1.00 35.43 H new ATOM 0 HA HIS A 64 -4.431 -1.441 -0.481 1.00 65.52 H new ATOM 0 HB2 HIS A 64 -4.930 -1.319 -3.489 1.00 11.22 H new ATOM 0 HB3 HIS A 64 -5.345 -2.704 -2.499 1.00 11.22 H new ATOM 0 HD2 HIS A 64 -7.194 -2.004 -0.359 1.00 13.31 H new ATOM 0 HE1 HIS A 64 -8.934 1.040 -2.680 1.00 21.13 H new ATOM 0 HE2 HIS A 64 -9.215 -0.391 -0.598 1.00 73.23 H new ATOM 910 N THR A 65 -2.884 -3.351 -1.225 1.00 30.25 N ATOM 911 CA THR A 65 -1.841 -4.367 -1.458 1.00 40.04 C ATOM 912 C THR A 65 -1.754 -4.728 -2.959 1.00 41.01 C ATOM 913 O THR A 65 -0.659 -4.817 -3.518 1.00 44.12 O ATOM 914 CB THR A 65 -2.124 -5.654 -0.611 1.00 13.22 C ATOM 915 OG1 THR A 65 -3.427 -6.179 -0.929 1.00 1.12 O ATOM 916 CG2 THR A 65 -2.063 -5.371 0.901 1.00 15.22 C ATOM 0 H THR A 65 -3.618 -3.659 -0.588 1.00 30.25 H new ATOM 0 HA THR A 65 -0.885 -3.946 -1.145 1.00 40.04 H new ATOM 0 HB THR A 65 -1.350 -6.379 -0.861 1.00 13.22 H new ATOM 0 HG1 THR A 65 -4.114 -5.647 -0.475 1.00 1.12 H new ATOM 0 HG21 THR A 65 -2.265 -6.290 1.452 1.00 15.22 H new ATOM 0 HG22 THR A 65 -1.071 -5.002 1.162 1.00 15.22 H new ATOM 0 HG23 THR A 65 -2.810 -4.621 1.161 1.00 15.22 H new ATOM 924 N PHE A 66 -2.937 -4.880 -3.588 1.00 2.53 N ATOM 925 CA PHE A 66 -3.069 -5.265 -5.005 1.00 11.32 C ATOM 926 C PHE A 66 -2.851 -4.074 -5.970 1.00 64.03 C ATOM 927 O PHE A 66 -2.386 -4.299 -7.092 1.00 21.14 O ATOM 928 CB PHE A 66 -4.442 -5.954 -5.264 1.00 12.13 C ATOM 929 CG PHE A 66 -5.698 -5.172 -4.839 1.00 4.45 C ATOM 930 CD1 PHE A 66 -6.303 -4.246 -5.693 1.00 2.44 C ATOM 931 CD2 PHE A 66 -6.277 -5.378 -3.581 1.00 30.53 C ATOM 932 CE1 PHE A 66 -7.445 -3.567 -5.310 1.00 1.03 C ATOM 933 CE2 PHE A 66 -7.426 -4.699 -3.206 1.00 23.35 C ATOM 934 CZ PHE A 66 -8.001 -3.788 -4.065 1.00 64.13 C ATOM 0 H PHE A 66 -3.833 -4.738 -3.122 1.00 2.53 H new ATOM 0 HA PHE A 66 -2.275 -5.982 -5.214 1.00 11.32 H new ATOM 0 HB2 PHE A 66 -4.519 -6.169 -6.330 1.00 12.13 H new ATOM 0 HB3 PHE A 66 -4.445 -6.912 -4.744 1.00 12.13 H new ATOM 0 HD1 PHE A 66 -5.873 -4.058 -6.666 1.00 2.44 H new ATOM 0 HD2 PHE A 66 -5.822 -6.076 -2.893 1.00 30.53 H new ATOM 0 HE1 PHE A 66 -7.904 -2.861 -5.987 1.00 1.03 H new ATOM 0 HE2 PHE A 66 -7.871 -4.884 -2.239 1.00 23.35 H new ATOM 0 HZ PHE A 66 -8.886 -3.247 -3.765 1.00 64.13 H new ATOM 944 N CYS A 67 -3.199 -2.827 -5.540 1.00 62.34 N ATOM 945 CA CYS A 67 -3.016 -1.604 -6.365 1.00 22.02 C ATOM 946 C CYS A 67 -1.531 -1.315 -6.641 1.00 41.35 C ATOM 947 O CYS A 67 -1.193 -0.689 -7.647 1.00 51.51 O ATOM 948 CB CYS A 67 -3.688 -0.387 -5.686 1.00 55.23 C ATOM 949 SG CYS A 67 -5.508 -0.495 -5.539 1.00 64.03 S ATOM 0 H CYS A 67 -3.609 -2.646 -4.624 1.00 62.34 H new ATOM 0 HA CYS A 67 -3.498 -1.783 -7.326 1.00 22.02 H new ATOM 0 HB2 CYS A 67 -3.264 -0.266 -4.689 1.00 55.23 H new ATOM 0 HB3 CYS A 67 -3.436 0.511 -6.251 1.00 55.23 H new ATOM 954 N LEU A 68 -0.663 -1.759 -5.717 1.00 44.21 N ATOM 955 CA LEU A 68 0.801 -1.689 -5.883 1.00 15.31 C ATOM 956 C LEU A 68 1.280 -2.803 -6.845 1.00 10.24 C ATOM 957 O LEU A 68 0.773 -3.923 -6.803 1.00 14.40 O ATOM 958 CB LEU A 68 1.481 -1.803 -4.487 1.00 21.23 C ATOM 959 CG LEU A 68 1.149 -0.635 -3.496 1.00 24.11 C ATOM 960 CD1 LEU A 68 1.616 -0.955 -2.068 1.00 75.41 C ATOM 961 CD2 LEU A 68 1.739 0.711 -3.982 1.00 3.30 C ATOM 0 H LEU A 68 -0.955 -2.177 -4.833 1.00 44.21 H new ATOM 0 HA LEU A 68 1.081 -0.733 -6.324 1.00 15.31 H new ATOM 0 HB2 LEU A 68 1.182 -2.746 -4.029 1.00 21.23 H new ATOM 0 HB3 LEU A 68 2.561 -1.846 -4.627 1.00 21.23 H new ATOM 0 HG LEU A 68 0.064 -0.533 -3.476 1.00 24.11 H new ATOM 0 HD11 LEU A 68 1.369 -0.123 -1.409 1.00 75.41 H new ATOM 0 HD12 LEU A 68 1.116 -1.857 -1.715 1.00 75.41 H new ATOM 0 HD13 LEU A 68 2.695 -1.113 -2.065 1.00 75.41 H new ATOM 0 HD21 LEU A 68 1.488 1.497 -3.269 1.00 3.30 H new ATOM 0 HD22 LEU A 68 2.823 0.626 -4.061 1.00 3.30 H new ATOM 0 HD23 LEU A 68 1.322 0.960 -4.958 1.00 3.30 H new ATOM 973 N LEU A 69 2.212 -2.453 -7.759 1.00 44.30 N ATOM 974 CA LEU A 69 2.847 -3.407 -8.694 1.00 13.53 C ATOM 975 C LEU A 69 4.389 -3.375 -8.458 1.00 5.33 C ATOM 976 O LEU A 69 4.997 -2.316 -8.615 1.00 32.30 O ATOM 977 CB LEU A 69 2.512 -3.085 -10.198 1.00 12.15 C ATOM 978 CG LEU A 69 1.052 -3.433 -10.694 1.00 15.03 C ATOM 979 CD1 LEU A 69 -0.002 -2.441 -10.168 1.00 72.20 C ATOM 980 CD2 LEU A 69 0.991 -3.531 -12.239 1.00 50.34 C ATOM 0 H LEU A 69 2.546 -1.496 -7.869 1.00 44.30 H new ATOM 0 HA LEU A 69 2.451 -4.403 -8.497 1.00 13.53 H new ATOM 0 HB2 LEU A 69 2.682 -2.021 -10.364 1.00 12.15 H new ATOM 0 HB3 LEU A 69 3.221 -3.623 -10.827 1.00 12.15 H new ATOM 0 HG LEU A 69 0.808 -4.410 -10.277 1.00 15.03 H new ATOM 0 HD11 LEU A 69 -0.987 -2.726 -10.538 1.00 72.20 H new ATOM 0 HD12 LEU A 69 -0.005 -2.458 -9.078 1.00 72.20 H new ATOM 0 HD13 LEU A 69 0.239 -1.436 -10.515 1.00 72.20 H new ATOM 0 HD21 LEU A 69 -0.026 -3.771 -12.548 1.00 50.34 H new ATOM 0 HD22 LEU A 69 1.287 -2.577 -12.676 1.00 50.34 H new ATOM 0 HD23 LEU A 69 1.669 -4.313 -12.581 1.00 50.34 H new ATOM 992 N PRO A 70 5.060 -4.512 -8.039 1.00 41.12 N ATOM 993 CA PRO A 70 4.407 -5.814 -7.714 1.00 5.10 C ATOM 994 C PRO A 70 3.594 -5.735 -6.390 1.00 52.43 C ATOM 995 O PRO A 70 3.966 -4.969 -5.487 1.00 21.35 O ATOM 996 CB PRO A 70 5.614 -6.785 -7.585 1.00 54.53 C ATOM 997 CG PRO A 70 6.745 -5.915 -7.137 1.00 54.00 C ATOM 998 CD PRO A 70 6.539 -4.584 -7.842 1.00 54.14 C ATOM 0 HA PRO A 70 3.682 -6.127 -8.465 1.00 5.10 H new ATOM 0 HB2 PRO A 70 5.412 -7.577 -6.864 1.00 54.53 H new ATOM 0 HB3 PRO A 70 5.838 -7.269 -8.535 1.00 54.53 H new ATOM 0 HG2 PRO A 70 6.739 -5.790 -6.054 1.00 54.00 H new ATOM 0 HG3 PRO A 70 7.707 -6.354 -7.402 1.00 54.00 H new ATOM 0 HD2 PRO A 70 6.904 -3.752 -7.240 1.00 54.14 H new ATOM 0 HD3 PRO A 70 7.072 -4.548 -8.792 1.00 54.14 H new ATOM 1006 N PRO A 71 2.449 -6.487 -6.275 1.00 31.53 N ATOM 1007 CA PRO A 71 1.583 -6.431 -5.076 1.00 5.45 C ATOM 1008 C PRO A 71 2.297 -6.936 -3.820 1.00 42.43 C ATOM 1009 O PRO A 71 3.171 -7.819 -3.900 1.00 34.02 O ATOM 1010 CB PRO A 71 0.368 -7.324 -5.460 1.00 30.05 C ATOM 1011 CG PRO A 71 0.878 -8.232 -6.541 1.00 64.15 C ATOM 1012 CD PRO A 71 1.911 -7.427 -7.302 1.00 52.45 C ATOM 0 HA PRO A 71 1.290 -5.413 -4.821 1.00 5.45 H new ATOM 0 HB2 PRO A 71 0.011 -7.894 -4.602 1.00 30.05 H new ATOM 0 HB3 PRO A 71 -0.469 -6.721 -5.813 1.00 30.05 H new ATOM 0 HG2 PRO A 71 1.319 -9.134 -6.118 1.00 64.15 H new ATOM 0 HG3 PRO A 71 0.069 -8.551 -7.198 1.00 64.15 H new ATOM 0 HD2 PRO A 71 2.694 -8.065 -7.711 1.00 52.45 H new ATOM 0 HD3 PRO A 71 1.465 -6.892 -8.140 1.00 52.45 H new ATOM 1020 N LEU A 72 1.947 -6.340 -2.670 1.00 12.42 N ATOM 1021 CA LEU A 72 2.450 -6.772 -1.363 1.00 71.10 C ATOM 1022 C LEU A 72 1.755 -8.079 -0.972 1.00 43.53 C ATOM 1023 O LEU A 72 0.782 -8.076 -0.206 1.00 15.42 O ATOM 1024 CB LEU A 72 2.220 -5.676 -0.287 1.00 43.33 C ATOM 1025 CG LEU A 72 2.811 -4.270 -0.608 1.00 74.44 C ATOM 1026 CD1 LEU A 72 2.489 -3.265 0.511 1.00 41.41 C ATOM 1027 CD2 LEU A 72 4.328 -4.335 -0.869 1.00 30.32 C ATOM 0 H LEU A 72 1.308 -5.546 -2.623 1.00 12.42 H new ATOM 0 HA LEU A 72 3.525 -6.939 -1.427 1.00 71.10 H new ATOM 0 HB2 LEU A 72 1.147 -5.570 -0.129 1.00 43.33 H new ATOM 0 HB3 LEU A 72 2.648 -6.022 0.654 1.00 43.33 H new ATOM 0 HG LEU A 72 2.336 -3.921 -1.525 1.00 74.44 H new ATOM 0 HD11 LEU A 72 2.914 -2.293 0.260 1.00 41.41 H new ATOM 0 HD12 LEU A 72 1.408 -3.172 0.617 1.00 41.41 H new ATOM 0 HD13 LEU A 72 2.917 -3.616 1.450 1.00 41.41 H new ATOM 0 HD21 LEU A 72 4.702 -3.335 -1.089 1.00 30.32 H new ATOM 0 HD22 LEU A 72 4.833 -4.725 0.015 1.00 30.32 H new ATOM 0 HD23 LEU A 72 4.523 -4.991 -1.718 1.00 30.32 H new ATOM 1039 N THR A 73 2.239 -9.191 -1.557 1.00 64.30 N ATOM 1040 CA THR A 73 1.694 -10.533 -1.311 1.00 71.22 C ATOM 1041 C THR A 73 2.039 -10.954 0.122 1.00 20.43 C ATOM 1042 O THR A 73 1.303 -11.712 0.760 1.00 42.53 O ATOM 1043 CB THR A 73 2.230 -11.564 -2.359 1.00 44.43 C ATOM 1044 OG1 THR A 73 3.659 -11.687 -2.255 1.00 74.50 O ATOM 1045 CG2 THR A 73 1.857 -11.142 -3.800 1.00 23.54 C ATOM 0 H THR A 73 3.020 -9.181 -2.213 1.00 64.30 H new ATOM 0 HA THR A 73 0.610 -10.510 -1.424 1.00 71.22 H new ATOM 0 HB THR A 73 1.764 -12.526 -2.144 1.00 44.43 H new ATOM 0 HG1 THR A 73 3.980 -12.336 -2.915 1.00 74.50 H new ATOM 0 HG21 THR A 73 2.243 -11.877 -4.506 1.00 23.54 H new ATOM 0 HG22 THR A 73 0.773 -11.084 -3.893 1.00 23.54 H new ATOM 0 HG23 THR A 73 2.293 -10.167 -4.018 1.00 23.54 H new ATOM 1053 N SER A 74 3.187 -10.449 0.609 1.00 52.32 N ATOM 1054 CA SER A 74 3.527 -10.437 2.021 1.00 31.23 C ATOM 1055 C SER A 74 3.168 -9.063 2.614 1.00 43.52 C ATOM 1056 O SER A 74 3.792 -8.041 2.300 1.00 64.41 O ATOM 1057 CB SER A 74 5.017 -10.749 2.203 1.00 25.24 C ATOM 1058 OG SER A 74 5.831 -9.893 1.421 1.00 13.34 O ATOM 0 H SER A 74 3.906 -10.035 0.015 1.00 52.32 H new ATOM 0 HA SER A 74 2.959 -11.204 2.548 1.00 31.23 H new ATOM 0 HB2 SER A 74 5.285 -10.645 3.254 1.00 25.24 H new ATOM 0 HB3 SER A 74 5.208 -11.786 1.926 1.00 25.24 H new ATOM 0 HG SER A 74 5.511 -8.970 1.505 1.00 13.34 H new ATOM 1064 N ILE A 75 2.119 -9.067 3.426 1.00 44.24 N ATOM 1065 CA ILE A 75 1.602 -7.875 4.118 1.00 51.23 C ATOM 1066 C ILE A 75 2.421 -7.672 5.414 1.00 73.21 C ATOM 1067 O ILE A 75 2.528 -8.616 6.206 1.00 73.44 O ATOM 1068 CB ILE A 75 0.071 -8.065 4.435 1.00 34.41 C ATOM 1069 CG1 ILE A 75 -0.694 -8.396 3.114 1.00 32.11 C ATOM 1070 CG2 ILE A 75 -0.536 -6.823 5.153 1.00 71.21 C ATOM 1071 CD1 ILE A 75 -2.160 -8.739 3.296 1.00 3.14 C ATOM 0 H ILE A 75 1.587 -9.913 3.632 1.00 44.24 H new ATOM 0 HA ILE A 75 1.703 -6.991 3.488 1.00 51.23 H new ATOM 0 HB ILE A 75 -0.039 -8.899 5.128 1.00 34.41 H new ATOM 0 HG12 ILE A 75 -0.616 -7.541 2.442 1.00 32.11 H new ATOM 0 HG13 ILE A 75 -0.198 -9.233 2.624 1.00 32.11 H new ATOM 0 HG21 ILE A 75 -1.593 -6.998 5.352 1.00 71.21 H new ATOM 0 HG22 ILE A 75 -0.013 -6.655 6.094 1.00 71.21 H new ATOM 0 HG23 ILE A 75 -0.428 -5.945 4.516 1.00 71.21 H new ATOM 0 HD11 ILE A 75 -2.607 -8.954 2.325 1.00 3.14 H new ATOM 0 HD12 ILE A 75 -2.252 -9.614 3.939 1.00 3.14 H new ATOM 0 HD13 ILE A 75 -2.677 -7.896 3.755 1.00 3.14 H new ATOM 1083 N PRO A 76 3.016 -6.452 5.650 1.00 73.40 N ATOM 1084 CA PRO A 76 3.992 -6.236 6.743 1.00 4.15 C ATOM 1085 C PRO A 76 3.333 -6.067 8.144 1.00 51.53 C ATOM 1086 O PRO A 76 3.291 -4.961 8.691 1.00 34.23 O ATOM 1087 CB PRO A 76 4.734 -4.961 6.270 1.00 22.32 C ATOM 1088 CG PRO A 76 3.702 -4.175 5.519 1.00 64.45 C ATOM 1089 CD PRO A 76 2.766 -5.192 4.885 1.00 60.22 C ATOM 0 HA PRO A 76 4.649 -7.092 6.900 1.00 4.15 H new ATOM 0 HB2 PRO A 76 5.125 -4.394 7.115 1.00 22.32 H new ATOM 0 HB3 PRO A 76 5.583 -5.210 5.633 1.00 22.32 H new ATOM 0 HG2 PRO A 76 3.157 -3.510 6.189 1.00 64.45 H new ATOM 0 HG3 PRO A 76 4.168 -3.549 4.758 1.00 64.45 H new ATOM 0 HD2 PRO A 76 1.725 -4.878 4.965 1.00 60.22 H new ATOM 0 HD3 PRO A 76 2.980 -5.322 3.824 1.00 60.22 H new ATOM 1097 N LYS A 77 2.799 -7.193 8.676 1.00 33.14 N ATOM 1098 CA LYS A 77 2.195 -7.317 10.037 1.00 34.44 C ATOM 1099 C LYS A 77 0.810 -6.622 10.182 1.00 21.11 C ATOM 1100 O LYS A 77 -0.079 -7.148 10.870 1.00 25.30 O ATOM 1101 CB LYS A 77 3.191 -6.878 11.162 1.00 33.52 C ATOM 1102 CG LYS A 77 4.467 -7.763 11.247 1.00 61.32 C ATOM 1103 CD LYS A 77 5.476 -7.357 12.364 1.00 24.51 C ATOM 1104 CE LYS A 77 6.251 -6.041 12.091 1.00 65.43 C ATOM 1105 NZ LYS A 77 5.425 -4.811 12.263 1.00 2.51 N ATOM 0 H LYS A 77 2.773 -8.071 8.158 1.00 33.14 H new ATOM 0 HA LYS A 77 1.997 -8.381 10.167 1.00 34.44 H new ATOM 0 HB2 LYS A 77 3.488 -5.844 10.989 1.00 33.52 H new ATOM 0 HB3 LYS A 77 2.676 -6.905 12.122 1.00 33.52 H new ATOM 0 HG2 LYS A 77 4.164 -8.797 11.410 1.00 61.32 H new ATOM 0 HG3 LYS A 77 4.979 -7.729 10.285 1.00 61.32 H new ATOM 0 HD2 LYS A 77 4.934 -7.255 13.304 1.00 24.51 H new ATOM 0 HD3 LYS A 77 6.195 -8.165 12.496 1.00 24.51 H new ATOM 0 HE2 LYS A 77 7.108 -5.989 12.762 1.00 65.43 H new ATOM 0 HE3 LYS A 77 6.643 -6.065 11.074 1.00 65.43 H new ATOM 0 HZ1 LYS A 77 6.033 -4.025 12.569 1.00 2.51 H new ATOM 0 HZ2 LYS A 77 4.973 -4.567 11.359 1.00 2.51 H new ATOM 0 HZ3 LYS A 77 4.693 -4.982 12.981 1.00 2.51 H new ATOM 1119 N GLY A 78 0.628 -5.469 9.523 1.00 2.24 N ATOM 1120 CA GLY A 78 -0.621 -4.711 9.561 1.00 31.24 C ATOM 1121 C GLY A 78 -0.389 -3.268 9.140 1.00 35.11 C ATOM 1122 O GLY A 78 -1.110 -2.725 8.298 1.00 52.43 O ATOM 0 H GLY A 78 1.350 -5.037 8.946 1.00 2.24 H new ATOM 0 HA2 GLY A 78 -1.353 -5.174 8.900 1.00 31.24 H new ATOM 0 HA3 GLY A 78 -1.038 -4.738 10.568 1.00 31.24 H new ATOM 1126 N GLU A 79 0.654 -2.656 9.721 1.00 41.33 N ATOM 1127 CA GLU A 79 1.071 -1.265 9.420 1.00 1.50 C ATOM 1128 C GLU A 79 2.212 -1.265 8.379 1.00 1.22 C ATOM 1129 O GLU A 79 3.075 -2.147 8.386 1.00 34.31 O ATOM 1130 CB GLU A 79 1.468 -0.495 10.739 1.00 73.25 C ATOM 1131 CG GLU A 79 2.008 -1.350 11.917 1.00 11.13 C ATOM 1132 CD GLU A 79 3.266 -2.181 11.593 1.00 23.24 C ATOM 1133 OE1 GLU A 79 4.382 -1.610 11.571 1.00 60.11 O ATOM 1134 OE2 GLU A 79 3.149 -3.406 11.352 1.00 45.40 O ATOM 0 H GLU A 79 1.241 -3.111 10.420 1.00 41.33 H new ATOM 0 HA GLU A 79 0.227 -0.729 8.986 1.00 1.50 H new ATOM 0 HB2 GLU A 79 2.225 0.247 10.484 1.00 73.25 H new ATOM 0 HB3 GLU A 79 0.592 0.051 11.090 1.00 73.25 H new ATOM 0 HG2 GLU A 79 2.233 -0.689 12.754 1.00 11.13 H new ATOM 0 HG3 GLU A 79 1.219 -2.026 12.248 1.00 11.13 H new ATOM 1141 N TRP A 80 2.208 -0.257 7.493 1.00 74.31 N ATOM 1142 CA TRP A 80 3.115 -0.186 6.338 1.00 64.11 C ATOM 1143 C TRP A 80 3.578 1.260 6.110 1.00 4.33 C ATOM 1144 O TRP A 80 2.814 2.197 6.321 1.00 10.30 O ATOM 1145 CB TRP A 80 2.352 -0.738 5.110 1.00 43.31 C ATOM 1146 CG TRP A 80 3.007 -0.543 3.760 1.00 4.30 C ATOM 1147 CD1 TRP A 80 4.061 -1.232 3.220 1.00 1.13 C ATOM 1148 CD2 TRP A 80 2.603 0.407 2.765 1.00 21.45 C ATOM 1149 NE1 TRP A 80 4.320 -0.770 1.953 1.00 41.25 N ATOM 1150 CE2 TRP A 80 3.436 0.235 1.654 1.00 3.50 C ATOM 1151 CE3 TRP A 80 1.604 1.386 2.726 1.00 64.35 C ATOM 1152 CZ2 TRP A 80 3.304 0.997 0.505 1.00 73.12 C ATOM 1153 CZ3 TRP A 80 1.471 2.148 1.586 1.00 24.13 C ATOM 1154 CH2 TRP A 80 2.317 1.948 0.484 1.00 25.34 C ATOM 0 H TRP A 80 1.571 0.537 7.559 1.00 74.31 H new ATOM 0 HA TRP A 80 4.011 -0.781 6.512 1.00 64.11 H new ATOM 0 HB2 TRP A 80 2.193 -1.806 5.260 1.00 43.31 H new ATOM 0 HB3 TRP A 80 1.368 -0.270 5.082 1.00 43.31 H new ATOM 0 HD1 TRP A 80 4.607 -2.021 3.717 1.00 1.13 H new ATOM 0 HE1 TRP A 80 5.052 -1.118 1.334 1.00 41.25 H new ATOM 0 HE3 TRP A 80 0.951 1.541 3.572 1.00 64.35 H new ATOM 0 HZ2 TRP A 80 3.955 0.847 -0.344 1.00 73.12 H new ATOM 0 HZ3 TRP A 80 0.706 2.909 1.540 1.00 24.13 H new ATOM 0 HH2 TRP A 80 2.188 2.556 -0.399 1.00 25.34 H new ATOM 1165 N LEU A 81 4.848 1.423 5.704 1.00 33.20 N ATOM 1166 CA LEU A 81 5.394 2.715 5.259 1.00 41.14 C ATOM 1167 C LEU A 81 5.493 2.727 3.731 1.00 10.52 C ATOM 1168 O LEU A 81 5.947 1.743 3.129 1.00 75.24 O ATOM 1169 CB LEU A 81 6.790 2.984 5.890 1.00 33.30 C ATOM 1170 CG LEU A 81 6.822 3.136 7.441 1.00 14.41 C ATOM 1171 CD1 LEU A 81 8.239 3.501 7.937 1.00 63.21 C ATOM 1172 CD2 LEU A 81 5.773 4.163 7.928 1.00 21.43 C ATOM 0 H LEU A 81 5.526 0.661 5.675 1.00 33.20 H new ATOM 0 HA LEU A 81 4.722 3.508 5.588 1.00 41.14 H new ATOM 0 HB2 LEU A 81 7.456 2.167 5.611 1.00 33.30 H new ATOM 0 HB3 LEU A 81 7.198 3.893 5.447 1.00 33.30 H new ATOM 0 HG LEU A 81 6.559 2.170 7.873 1.00 14.41 H new ATOM 0 HD11 LEU A 81 8.230 3.600 9.022 1.00 63.21 H new ATOM 0 HD12 LEU A 81 8.938 2.716 7.650 1.00 63.21 H new ATOM 0 HD13 LEU A 81 8.549 4.445 7.489 1.00 63.21 H new ATOM 0 HD21 LEU A 81 5.821 4.245 9.014 1.00 21.43 H new ATOM 0 HD22 LEU A 81 5.981 5.135 7.481 1.00 21.43 H new ATOM 0 HD23 LEU A 81 4.777 3.833 7.633 1.00 21.43 H new ATOM 1184 N CYS A 82 5.068 3.847 3.124 1.00 0.12 N ATOM 1185 CA CYS A 82 5.110 4.041 1.667 1.00 14.41 C ATOM 1186 C CYS A 82 6.572 4.093 1.162 1.00 11.33 C ATOM 1187 O CYS A 82 7.448 4.557 1.908 1.00 75.42 O ATOM 1188 CB CYS A 82 4.372 5.347 1.303 1.00 45.12 C ATOM 1189 SG CYS A 82 5.131 6.853 2.007 1.00 40.10 S ATOM 0 H CYS A 82 4.685 4.645 3.632 1.00 0.12 H new ATOM 0 HA CYS A 82 4.616 3.198 1.184 1.00 14.41 H new ATOM 0 HB2 CYS A 82 4.339 5.443 0.218 1.00 45.12 H new ATOM 0 HB3 CYS A 82 3.340 5.277 1.648 1.00 45.12 H new ATOM 0 HG CYS A 82 5.209 6.736 3.299 1.00 40.10 H new ATOM 1194 N PRO A 83 6.857 3.621 -0.104 1.00 25.15 N ATOM 1195 CA PRO A 83 8.212 3.699 -0.731 1.00 72.25 C ATOM 1196 C PRO A 83 8.863 5.095 -0.593 1.00 3.32 C ATOM 1197 O PRO A 83 10.071 5.198 -0.381 1.00 73.34 O ATOM 1198 CB PRO A 83 7.940 3.354 -2.214 1.00 63.14 C ATOM 1199 CG PRO A 83 6.733 2.460 -2.182 1.00 73.13 C ATOM 1200 CD PRO A 83 5.886 2.941 -1.018 1.00 23.25 C ATOM 0 HA PRO A 83 8.921 3.026 -0.248 1.00 72.25 H new ATOM 0 HB2 PRO A 83 7.752 4.253 -2.802 1.00 63.14 H new ATOM 0 HB3 PRO A 83 8.794 2.850 -2.667 1.00 63.14 H new ATOM 0 HG2 PRO A 83 6.179 2.520 -3.119 1.00 73.13 H new ATOM 0 HG3 PRO A 83 7.023 1.418 -2.049 1.00 73.13 H new ATOM 0 HD2 PRO A 83 5.107 3.627 -1.351 1.00 23.25 H new ATOM 0 HD3 PRO A 83 5.387 2.110 -0.520 1.00 23.25 H new ATOM 1208 N ARG A 84 8.003 6.141 -0.648 1.00 25.14 N ATOM 1209 CA ARG A 84 8.393 7.561 -0.540 1.00 33.31 C ATOM 1210 C ARG A 84 9.146 7.842 0.782 1.00 60.14 C ATOM 1211 O ARG A 84 10.210 8.469 0.775 1.00 30.22 O ATOM 1212 CB ARG A 84 7.128 8.468 -0.607 1.00 42.13 C ATOM 1213 CG ARG A 84 7.412 9.977 -0.788 1.00 3.22 C ATOM 1214 CD ARG A 84 7.934 10.300 -2.198 1.00 52.53 C ATOM 1215 NE ARG A 84 6.928 9.968 -3.228 1.00 70.05 N ATOM 1216 CZ ARG A 84 7.185 9.590 -4.495 1.00 14.20 C ATOM 1217 NH1 ARG A 84 8.437 9.478 -4.944 1.00 74.31 N ATOM 1218 NH2 ARG A 84 6.172 9.318 -5.313 1.00 52.23 N ATOM 0 H ARG A 84 6.998 6.014 -0.771 1.00 25.14 H new ATOM 0 HA ARG A 84 9.059 7.785 -1.374 1.00 33.31 H new ATOM 0 HB2 ARG A 84 6.501 8.130 -1.432 1.00 42.13 H new ATOM 0 HB3 ARG A 84 6.552 8.330 0.308 1.00 42.13 H new ATOM 0 HG2 ARG A 84 6.499 10.543 -0.601 1.00 3.22 H new ATOM 0 HG3 ARG A 84 8.144 10.299 -0.048 1.00 3.22 H new ATOM 0 HD2 ARG A 84 8.188 11.358 -2.261 1.00 52.53 H new ATOM 0 HD3 ARG A 84 8.850 9.740 -2.387 1.00 52.53 H new ATOM 0 HE ARG A 84 5.947 10.031 -2.954 1.00 70.05 H new ATOM 0 HH11 ARG A 84 9.221 9.680 -4.324 1.00 74.31 H new ATOM 0 HH12 ARG A 84 8.610 9.190 -5.907 1.00 74.31 H new ATOM 0 HH21 ARG A 84 5.211 9.397 -4.979 1.00 52.23 H new ATOM 0 HH22 ARG A 84 6.356 9.031 -6.274 1.00 52.23 H new ATOM 1232 N CYS A 85 8.575 7.363 1.913 1.00 21.23 N ATOM 1233 CA CYS A 85 9.153 7.555 3.267 1.00 54.12 C ATOM 1234 C CYS A 85 10.499 6.815 3.409 1.00 52.53 C ATOM 1235 O CYS A 85 11.440 7.306 4.050 1.00 21.34 O ATOM 1236 CB CYS A 85 8.147 7.059 4.328 1.00 20.41 C ATOM 1237 SG CYS A 85 6.559 7.932 4.306 1.00 32.24 S ATOM 0 H CYS A 85 7.703 6.834 1.914 1.00 21.23 H new ATOM 0 HA CYS A 85 9.345 8.617 3.419 1.00 54.12 H new ATOM 0 HB2 CYS A 85 7.967 5.995 4.173 1.00 20.41 H new ATOM 0 HB3 CYS A 85 8.595 7.166 5.316 1.00 20.41 H new ATOM 0 HG CYS A 85 6.022 7.827 3.127 1.00 32.24 H new ATOM 1242 N VAL A 86 10.557 5.647 2.758 1.00 64.21 N ATOM 1243 CA VAL A 86 11.718 4.744 2.776 1.00 33.13 C ATOM 1244 C VAL A 86 12.894 5.312 1.934 1.00 34.32 C ATOM 1245 O VAL A 86 14.050 4.978 2.209 1.00 33.15 O ATOM 1246 CB VAL A 86 11.298 3.308 2.277 1.00 14.51 C ATOM 1247 CG1 VAL A 86 12.440 2.264 2.426 1.00 63.14 C ATOM 1248 CG2 VAL A 86 10.014 2.834 3.007 1.00 55.32 C ATOM 0 H VAL A 86 9.784 5.295 2.193 1.00 64.21 H new ATOM 0 HA VAL A 86 12.071 4.663 3.804 1.00 33.13 H new ATOM 0 HB VAL A 86 11.089 3.389 1.210 1.00 14.51 H new ATOM 0 HG11 VAL A 86 12.095 1.294 2.067 1.00 63.14 H new ATOM 0 HG12 VAL A 86 13.302 2.582 1.840 1.00 63.14 H new ATOM 0 HG13 VAL A 86 12.724 2.183 3.475 1.00 63.14 H new ATOM 0 HG21 VAL A 86 9.738 1.841 2.651 1.00 55.32 H new ATOM 0 HG22 VAL A 86 10.199 2.796 4.081 1.00 55.32 H new ATOM 0 HG23 VAL A 86 9.201 3.531 2.803 1.00 55.32 H new ATOM 1258 N VAL A 87 12.583 6.180 0.923 1.00 42.34 N ATOM 1259 CA VAL A 87 13.611 6.880 0.097 1.00 35.43 C ATOM 1260 C VAL A 87 14.591 7.674 0.987 1.00 45.12 C ATOM 1261 O VAL A 87 15.814 7.540 0.866 1.00 53.14 O ATOM 1262 CB VAL A 87 12.956 7.860 -0.965 1.00 0.20 C ATOM 1263 CG1 VAL A 87 14.009 8.699 -1.736 1.00 10.22 C ATOM 1264 CG2 VAL A 87 12.056 7.095 -1.957 1.00 72.44 C ATOM 0 H VAL A 87 11.624 6.410 0.662 1.00 42.34 H new ATOM 0 HA VAL A 87 14.156 6.105 -0.441 1.00 35.43 H new ATOM 0 HB VAL A 87 12.340 8.555 -0.394 1.00 0.20 H new ATOM 0 HG11 VAL A 87 13.504 9.351 -2.449 1.00 10.22 H new ATOM 0 HG12 VAL A 87 14.579 9.304 -1.031 1.00 10.22 H new ATOM 0 HG13 VAL A 87 14.685 8.032 -2.271 1.00 10.22 H new ATOM 0 HG21 VAL A 87 11.623 7.796 -2.671 1.00 72.44 H new ATOM 0 HG22 VAL A 87 12.651 6.354 -2.491 1.00 72.44 H new ATOM 0 HG23 VAL A 87 11.257 6.593 -1.411 1.00 72.44 H new ATOM 1274 N GLU A 88 14.023 8.484 1.888 1.00 70.34 N ATOM 1275 CA GLU A 88 14.799 9.295 2.841 1.00 64.34 C ATOM 1276 C GLU A 88 15.181 8.453 4.073 1.00 65.52 C ATOM 1277 O GLU A 88 14.600 7.384 4.308 1.00 34.10 O ATOM 1278 CB GLU A 88 13.990 10.548 3.260 1.00 65.35 C ATOM 1279 CG GLU A 88 13.573 11.457 2.086 1.00 60.10 C ATOM 1280 CD GLU A 88 12.833 12.722 2.546 1.00 51.44 C ATOM 1281 OE1 GLU A 88 11.642 12.618 2.898 1.00 21.20 O ATOM 1282 OE2 GLU A 88 13.440 13.817 2.582 1.00 44.02 O ATOM 0 H GLU A 88 13.013 8.598 1.979 1.00 70.34 H new ATOM 0 HA GLU A 88 15.717 9.626 2.356 1.00 64.34 H new ATOM 0 HB2 GLU A 88 13.094 10.227 3.791 1.00 65.35 H new ATOM 0 HB3 GLU A 88 14.585 11.132 3.963 1.00 65.35 H new ATOM 0 HG2 GLU A 88 14.461 11.745 1.523 1.00 60.10 H new ATOM 0 HG3 GLU A 88 12.933 10.894 1.406 1.00 60.10 H new ATOM 1289 N GLU A 89 16.155 8.958 4.844 1.00 23.32 N ATOM 1290 CA GLU A 89 16.682 8.277 6.037 1.00 20.43 C ATOM 1291 C GLU A 89 15.665 8.342 7.205 1.00 24.30 C ATOM 1292 O GLU A 89 15.407 9.423 7.744 1.00 33.35 O ATOM 1293 CB GLU A 89 18.026 8.932 6.460 1.00 34.22 C ATOM 1294 CG GLU A 89 18.711 8.282 7.681 1.00 53.02 C ATOM 1295 CD GLU A 89 19.906 9.093 8.204 1.00 22.24 C ATOM 1296 OE1 GLU A 89 19.706 9.974 9.069 1.00 64.10 O ATOM 1297 OE2 GLU A 89 21.046 8.854 7.757 1.00 61.53 O ATOM 0 H GLU A 89 16.602 9.855 4.657 1.00 23.32 H new ATOM 0 HA GLU A 89 16.851 7.228 5.794 1.00 20.43 H new ATOM 0 HB2 GLU A 89 18.713 8.895 5.614 1.00 34.22 H new ATOM 0 HB3 GLU A 89 17.847 9.984 6.680 1.00 34.22 H new ATOM 0 HG2 GLU A 89 17.980 8.166 8.481 1.00 53.02 H new ATOM 0 HG3 GLU A 89 19.049 7.282 7.411 1.00 53.02 H new ATOM 1304 N VAL A 90 15.084 7.178 7.566 1.00 42.44 N ATOM 1305 CA VAL A 90 14.203 7.026 8.751 1.00 3.04 C ATOM 1306 C VAL A 90 15.054 6.992 10.055 1.00 53.13 C ATOM 1307 O VAL A 90 14.524 7.170 11.164 1.00 43.23 O ATOM 1308 CB VAL A 90 13.321 5.717 8.612 1.00 41.53 C ATOM 1309 CG1 VAL A 90 14.192 4.442 8.645 1.00 34.11 C ATOM 1310 CG2 VAL A 90 12.187 5.660 9.666 1.00 13.13 C ATOM 0 H VAL A 90 15.211 6.311 7.043 1.00 42.44 H new ATOM 0 HA VAL A 90 13.532 7.883 8.807 1.00 3.04 H new ATOM 0 HB VAL A 90 12.840 5.762 7.635 1.00 41.53 H new ATOM 0 HG11 VAL A 90 13.555 3.563 8.547 1.00 34.11 H new ATOM 0 HG12 VAL A 90 14.905 4.467 7.821 1.00 34.11 H new ATOM 0 HG13 VAL A 90 14.732 4.395 9.590 1.00 34.11 H new ATOM 0 HG21 VAL A 90 11.610 4.745 9.531 1.00 13.13 H new ATOM 0 HG22 VAL A 90 12.619 5.672 10.667 1.00 13.13 H new ATOM 0 HG23 VAL A 90 11.533 6.523 9.543 1.00 13.13 H new ATOM 1320 N SER A 91 16.376 6.755 9.867 1.00 33.35 N ATOM 1321 CA SER A 91 17.410 6.713 10.922 1.00 62.54 C ATOM 1322 C SER A 91 17.340 5.416 11.748 1.00 14.44 C ATOM 1323 O SER A 91 16.831 5.395 12.873 1.00 71.20 O ATOM 1324 CB SER A 91 17.401 7.980 11.822 1.00 70.20 C ATOM 1325 OG SER A 91 17.516 9.162 11.048 1.00 40.41 O ATOM 0 H SER A 91 16.762 6.582 8.939 1.00 33.35 H new ATOM 0 HA SER A 91 18.371 6.712 10.408 1.00 62.54 H new ATOM 0 HB2 SER A 91 16.478 8.011 12.402 1.00 70.20 H new ATOM 0 HB3 SER A 91 18.224 7.928 12.535 1.00 70.20 H new ATOM 0 HG SER A 91 18.318 9.109 10.488 1.00 40.41 H new ATOM 1331 N LYS A 92 17.803 4.318 11.126 1.00 65.12 N ATOM 1332 CA LYS A 92 18.087 3.052 11.817 1.00 64.13 C ATOM 1333 C LYS A 92 19.603 3.023 12.147 1.00 43.41 C ATOM 1334 O LYS A 92 20.419 3.030 11.220 1.00 64.35 O ATOM 1335 CB LYS A 92 17.661 1.832 10.942 1.00 42.02 C ATOM 1336 CG LYS A 92 16.142 1.781 10.625 1.00 14.42 C ATOM 1337 CD LYS A 92 15.261 1.813 11.901 1.00 31.42 C ATOM 1338 CE LYS A 92 13.756 1.897 11.585 1.00 23.04 C ATOM 1339 NZ LYS A 92 13.249 0.701 10.862 1.00 63.04 N ATOM 0 H LYS A 92 17.991 4.286 10.124 1.00 65.12 H new ATOM 0 HA LYS A 92 17.511 2.983 12.740 1.00 64.13 H new ATOM 0 HB2 LYS A 92 18.216 1.859 10.005 1.00 42.02 H new ATOM 0 HB3 LYS A 92 17.946 0.913 11.455 1.00 42.02 H new ATOM 0 HG2 LYS A 92 15.880 2.625 9.987 1.00 14.42 H new ATOM 0 HG3 LYS A 92 15.923 0.875 10.061 1.00 14.42 H new ATOM 0 HD2 LYS A 92 15.454 0.918 12.493 1.00 31.42 H new ATOM 0 HD3 LYS A 92 15.547 2.668 12.513 1.00 31.42 H new ATOM 0 HE2 LYS A 92 13.201 2.015 12.515 1.00 23.04 H new ATOM 0 HE3 LYS A 92 13.565 2.786 10.984 1.00 23.04 H new ATOM 0 HZ1 LYS A 92 12.232 0.813 10.676 1.00 63.04 H new ATOM 0 HZ2 LYS A 92 13.757 0.600 9.960 1.00 63.04 H new ATOM 0 HZ3 LYS A 92 13.403 -0.147 11.443 1.00 63.04 H new ATOM 1353 N PRO A 93 19.995 3.036 13.468 1.00 63.32 N ATOM 1354 CA PRO A 93 21.410 3.182 13.901 1.00 0.40 C ATOM 1355 C PRO A 93 22.289 1.959 13.531 1.00 72.32 C ATOM 1356 O PRO A 93 22.402 0.991 14.306 1.00 14.40 O ATOM 1357 CB PRO A 93 21.300 3.394 15.444 1.00 53.03 C ATOM 1358 CG PRO A 93 19.845 3.678 15.704 1.00 31.30 C ATOM 1359 CD PRO A 93 19.093 2.914 14.642 1.00 10.35 C ATOM 0 HA PRO A 93 21.911 4.008 13.397 1.00 0.40 H new ATOM 0 HB2 PRO A 93 21.631 2.509 15.987 1.00 53.03 H new ATOM 0 HB3 PRO A 93 21.927 4.223 15.773 1.00 53.03 H new ATOM 0 HG2 PRO A 93 19.553 3.353 16.703 1.00 31.30 H new ATOM 0 HG3 PRO A 93 19.636 4.746 15.642 1.00 31.30 H new ATOM 0 HD2 PRO A 93 18.933 1.874 14.926 1.00 10.35 H new ATOM 0 HD3 PRO A 93 18.111 3.346 14.448 1.00 10.35 H new ATOM 1367 N GLN A 94 22.852 2.015 12.308 1.00 63.12 N ATOM 1368 CA GLN A 94 23.814 1.042 11.769 1.00 43.13 C ATOM 1369 C GLN A 94 24.350 1.596 10.423 1.00 23.54 C ATOM 1370 O GLN A 94 23.610 1.542 9.415 1.00 31.44 O ATOM 1371 CB GLN A 94 23.175 -0.379 11.596 1.00 31.03 C ATOM 1372 CG GLN A 94 24.120 -1.466 11.019 1.00 23.34 C ATOM 1373 CD GLN A 94 25.406 -1.676 11.828 1.00 11.35 C ATOM 1374 OE1 GLN A 94 25.451 -2.489 12.758 1.00 65.12 O ATOM 1375 NE2 GLN A 94 26.469 -0.959 11.478 1.00 62.13 N ATOM 1376 OXT GLN A 94 25.490 2.114 10.382 1.00 37.10 O ATOM 0 H GLN A 94 22.641 2.764 11.649 1.00 63.12 H new ATOM 0 HA GLN A 94 24.637 0.913 12.472 1.00 43.13 H new ATOM 0 HB2 GLN A 94 22.811 -0.716 12.567 1.00 31.03 H new ATOM 0 HB3 GLN A 94 22.307 -0.292 10.942 1.00 31.03 H new ATOM 0 HG2 GLN A 94 23.579 -2.411 10.966 1.00 23.34 H new ATOM 0 HG3 GLN A 94 24.387 -1.194 9.998 1.00 23.34 H new ATOM 0 HE21 GLN A 94 26.405 -0.295 10.707 1.00 62.13 H new ATOM 0 HE22 GLN A 94 27.349 -1.073 11.981 1.00 62.13 H new TER 1385 GLN A 94 HETATM 1386 ZN ZN A 101 -6.946 0.511 -4.691 1.00 40.13 ZN HETATM 1387 ZN ZN A 102 4.859 7.840 3.584 1.00 74.55 ZN