USER MOD reduce.3.24.130724 H: found=0, std=0, add=917, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 917 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 41 LYS NZ :NH3+ -99:sc= -0.324 (180deg=-0.00196) USER MOD Set 1.2: A 44 CYS SG : rot -160:sc= -0.453 USER MOD Set 2.1: A 18 MET CE :methyl -121:sc= -0.448 (180deg=-1.31) USER MOD Set 2.2: A 37 MET CE :methyl 133:sc= -0.119 (180deg=-0.704) USER MOD Set 3.1: A 33 HIS : no HE2:sc= -3.99! K(o=-9.5!,f=-13) USER MOD Set 3.2: A 36 CYS SG : rot 167:sc= -0.175 USER MOD Set 3.3: A 64 MET CE :methyl -104:sc= -3.33 (180deg=-4.82!) USER MOD Set 3.4: A 78 ASN :FLIP amide:sc= -2.03 F(o=-10,f=-9.5) USER MOD Set 4.1: A 9 SER OG : rot 122:sc= 1.21 USER MOD Set 4.2: A 11 HIS : no HD1:sc= -0.709 K(o=0.5,f=-0.051) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.0259 X(o=-0.026,f=0) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -159:sc= 1.18 (180deg=0.758) USER MOD Single : A 16 SER OG : rot -170:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot -82:sc= 0.167 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -0.0216 X(o=-0.022,f=-0.19) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -162:sc= -0.0731 (180deg=-0.389) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.276 X(o=-0.28,f=-0.28) USER MOD Single : A 50 HIS : no HD1:sc= -0.455 X(o=-0.45,f=-0.015) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 CYS SG : rot -97:sc= 0.227 USER MOD Single : A 70 ASN : amide:sc= -0.131 X(o=-0.13,f=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0.00475 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0.947 K(o=0.95,f=-0.66) USER MOD Single : A 80 SER OG : rot 80:sc= 1.21 USER MOD Single : A 81 THR OG1 : rot -75:sc= 1.2 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 78:sc= 0.626 USER MOD Single : A 87 SER OG : rot -50:sc= 1.2 USER MOD Single : A 91 LYS NZ :NH3+ -119:sc= 1.09 (180deg=-0.211) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 110:sc= 0.0607 USER MOD Single : A 95 MET CE :methyl -116:sc= -1.21 (180deg=-2.37) USER MOD Single : A 97 ASN :FLIP amide:sc= -0.23 F(o=-1.6!,f=-0.23) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 HIS : no HD1:sc= -0.0194 X(o=-0.019,f=-0.018) USER MOD Single : A 108 HIS : no HD1:sc= -0.139 X(o=-0.14,f=-0.011) USER MOD Single : A 109 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 110 HIS : no HD1:sc= -0.183 X(o=-0.18,f=-0.18) USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 112 HIS :FLIP no HE2:sc= -0.08 F(o=-0.67,f=-0.08) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 23.794 -6.171 0.271 1.00 34.22 N ATOM 2 CA MET A 1 22.545 -5.695 0.904 1.00 72.41 C ATOM 3 C MET A 1 22.469 -6.171 2.351 1.00 33.24 C ATOM 4 O MET A 1 21.997 -7.274 2.634 1.00 41.13 O ATOM 5 CB MET A 1 21.325 -6.187 0.112 1.00 22.45 C ATOM 6 CG MET A 1 19.993 -5.717 0.672 1.00 54.31 C ATOM 7 SD MET A 1 18.587 -6.290 -0.305 1.00 40.02 S ATOM 8 CE MET A 1 17.232 -5.546 0.604 1.00 22.32 C ATOM 0 H1 MET A 1 23.832 -5.839 -0.714 1.00 34.22 H new ATOM 0 H2 MET A 1 24.612 -5.798 0.794 1.00 34.22 H new ATOM 0 H3 MET A 1 23.817 -7.211 0.287 1.00 34.22 H new ATOM 0 HA MET A 1 22.545 -4.605 0.898 1.00 72.41 H new ATOM 0 HB2 MET A 1 21.414 -5.847 -0.920 1.00 22.45 H new ATOM 0 HB3 MET A 1 21.334 -7.277 0.091 1.00 22.45 H new ATOM 0 HG2 MET A 1 19.888 -6.074 1.697 1.00 54.31 H new ATOM 0 HG3 MET A 1 19.984 -4.628 0.711 1.00 54.31 H new ATOM 0 HE1 MET A 1 16.287 -5.806 0.126 1.00 22.32 H new ATOM 0 HE2 MET A 1 17.234 -5.917 1.629 1.00 22.32 H new ATOM 0 HE3 MET A 1 17.350 -4.462 0.610 1.00 22.32 H new ATOM 20 N ASN A 2 22.973 -5.341 3.257 1.00 75.54 N ATOM 21 CA ASN A 2 22.946 -5.634 4.687 1.00 40.02 C ATOM 22 C ASN A 2 23.070 -4.336 5.477 1.00 60.44 C ATOM 23 O ASN A 2 23.384 -4.337 6.670 1.00 40.02 O ATOM 24 CB ASN A 2 24.081 -6.596 5.075 1.00 12.52 C ATOM 25 CG ASN A 2 25.469 -5.996 4.895 1.00 60.14 C ATOM 26 OD1 ASN A 2 26.058 -6.074 3.817 1.00 12.41 O ATOM 27 ND2 ASN A 2 26.009 -5.414 5.954 1.00 20.00 N ATOM 0 H ASN A 2 23.410 -4.450 3.024 1.00 75.54 H new ATOM 0 HA ASN A 2 21.998 -6.117 4.923 1.00 40.02 H new ATOM 0 HB2 ASN A 2 23.954 -6.895 6.116 1.00 12.52 H new ATOM 0 HB3 ASN A 2 24.003 -7.501 4.472 1.00 12.52 H new ATOM 0 HD21 ASN A 2 26.944 -5.011 5.893 1.00 20.00 H new ATOM 0 HD22 ASN A 2 25.490 -5.368 6.831 1.00 20.00 H new ATOM 34 N ASN A 3 22.777 -3.235 4.803 1.00 71.35 N ATOM 35 CA ASN A 3 22.979 -1.903 5.352 1.00 65.32 C ATOM 36 C ASN A 3 21.677 -1.376 5.938 1.00 52.11 C ATOM 37 O ASN A 3 20.612 -1.955 5.712 1.00 51.45 O ATOM 38 CB ASN A 3 23.451 -0.940 4.255 1.00 33.04 C ATOM 39 CG ASN A 3 24.647 -1.445 3.475 1.00 0.13 C ATOM 40 OD1 ASN A 3 25.518 -2.137 4.007 1.00 74.04 O ATOM 41 ND2 ASN A 3 24.691 -1.109 2.196 1.00 11.32 N ATOM 0 H ASN A 3 22.392 -3.240 3.859 1.00 71.35 H new ATOM 0 HA ASN A 3 23.737 -1.967 6.133 1.00 65.32 H new ATOM 0 HB2 ASN A 3 22.628 -0.759 3.564 1.00 33.04 H new ATOM 0 HB3 ASN A 3 23.703 0.018 4.709 1.00 33.04 H new ATOM 0 HD21 ASN A 3 25.466 -1.424 1.612 1.00 11.32 H new ATOM 0 HD22 ASN A 3 23.950 -0.535 1.794 1.00 11.32 H new ATOM 48 N PRO A 4 21.746 -0.295 6.731 1.00 71.23 N ATOM 49 CA PRO A 4 20.558 0.442 7.159 1.00 23.13 C ATOM 50 C PRO A 4 19.887 1.120 5.968 1.00 43.12 C ATOM 51 O PRO A 4 20.449 2.045 5.375 1.00 33.22 O ATOM 52 CB PRO A 4 21.099 1.491 8.140 1.00 3.11 C ATOM 53 CG PRO A 4 22.480 1.043 8.480 1.00 51.10 C ATOM 54 CD PRO A 4 22.976 0.281 7.288 1.00 71.20 C ATOM 0 HA PRO A 4 19.805 -0.205 7.609 1.00 23.13 H new ATOM 0 HB2 PRO A 4 21.108 2.483 7.688 1.00 3.11 H new ATOM 0 HB3 PRO A 4 20.476 1.553 9.032 1.00 3.11 H new ATOM 0 HG2 PRO A 4 23.125 1.896 8.693 1.00 51.10 H new ATOM 0 HG3 PRO A 4 22.478 0.415 9.371 1.00 51.10 H new ATOM 0 HD2 PRO A 4 23.477 0.933 6.572 1.00 71.20 H new ATOM 0 HD3 PRO A 4 23.691 -0.491 7.571 1.00 71.20 H new ATOM 62 N SER A 5 18.702 0.628 5.613 1.00 3.34 N ATOM 63 CA SER A 5 17.948 1.125 4.466 1.00 13.21 C ATOM 64 C SER A 5 18.632 0.760 3.146 1.00 3.13 C ATOM 65 O SER A 5 19.380 1.552 2.576 1.00 21.10 O ATOM 66 CB SER A 5 17.734 2.642 4.554 1.00 75.24 C ATOM 67 OG SER A 5 17.040 3.005 5.739 1.00 5.01 O ATOM 0 H SER A 5 18.237 -0.129 6.115 1.00 3.34 H new ATOM 0 HA SER A 5 16.972 0.640 4.489 1.00 13.21 H new ATOM 0 HB2 SER A 5 18.699 3.148 4.527 1.00 75.24 H new ATOM 0 HB3 SER A 5 17.172 2.982 3.684 1.00 75.24 H new ATOM 0 HG SER A 5 16.922 3.978 5.764 1.00 5.01 H new ATOM 73 N ASP A 6 18.394 -0.461 2.678 1.00 15.22 N ATOM 74 CA ASP A 6 18.867 -0.876 1.356 1.00 63.23 C ATOM 75 C ASP A 6 17.731 -0.826 0.354 1.00 70.10 C ATOM 76 O ASP A 6 17.865 -1.253 -0.793 1.00 23.15 O ATOM 77 CB ASP A 6 19.446 -2.289 1.381 1.00 3.23 C ATOM 78 CG ASP A 6 20.857 -2.351 1.919 1.00 52.31 C ATOM 79 OD1 ASP A 6 21.696 -1.524 1.506 1.00 33.40 O ATOM 80 OD2 ASP A 6 21.141 -3.252 2.733 1.00 72.10 O ATOM 0 H ASP A 6 17.880 -1.179 3.189 1.00 15.22 H new ATOM 0 HA ASP A 6 19.656 -0.184 1.062 1.00 63.23 H new ATOM 0 HB2 ASP A 6 18.805 -2.926 1.990 1.00 3.23 H new ATOM 0 HB3 ASP A 6 19.432 -2.697 0.370 1.00 3.23 H new ATOM 85 N PHE A 7 16.611 -0.302 0.806 1.00 4.44 N ATOM 86 CA PHE A 7 15.417 -0.218 0.004 1.00 32.10 C ATOM 87 C PHE A 7 15.367 1.124 -0.703 1.00 62.01 C ATOM 88 O PHE A 7 15.558 2.171 -0.082 1.00 30.42 O ATOM 89 CB PHE A 7 14.192 -0.382 0.891 1.00 61.15 C ATOM 90 CG PHE A 7 14.375 -1.396 1.988 1.00 51.32 C ATOM 91 CD1 PHE A 7 14.290 -2.754 1.717 1.00 44.31 C ATOM 92 CD2 PHE A 7 14.638 -0.994 3.287 1.00 52.32 C ATOM 93 CE1 PHE A 7 14.466 -3.687 2.722 1.00 12.32 C ATOM 94 CE2 PHE A 7 14.812 -1.923 4.295 1.00 11.31 C ATOM 95 CZ PHE A 7 14.726 -3.271 4.013 1.00 65.51 C ATOM 0 H PHE A 7 16.507 0.079 1.746 1.00 4.44 H new ATOM 0 HA PHE A 7 15.427 -1.013 -0.742 1.00 32.10 H new ATOM 0 HB2 PHE A 7 13.944 0.582 1.336 1.00 61.15 H new ATOM 0 HB3 PHE A 7 13.343 -0.676 0.274 1.00 61.15 H new ATOM 0 HD1 PHE A 7 14.084 -3.086 0.710 1.00 44.31 H new ATOM 0 HD2 PHE A 7 14.708 0.059 3.515 1.00 52.32 H new ATOM 0 HE1 PHE A 7 14.400 -4.741 2.497 1.00 12.32 H new ATOM 0 HE2 PHE A 7 15.015 -1.594 5.303 1.00 11.31 H new ATOM 0 HZ PHE A 7 14.862 -3.999 4.800 1.00 65.51 H new ATOM 105 N LYS A 8 15.126 1.091 -1.997 1.00 53.12 N ATOM 106 CA LYS A 8 15.096 2.297 -2.791 1.00 2.34 C ATOM 107 C LYS A 8 13.678 2.813 -2.978 1.00 34.34 C ATOM 108 O LYS A 8 13.470 3.970 -3.347 1.00 31.34 O ATOM 109 CB LYS A 8 15.701 2.017 -4.156 1.00 11.54 C ATOM 110 CG LYS A 8 17.102 1.437 -4.101 1.00 45.13 C ATOM 111 CD LYS A 8 17.809 1.586 -5.435 1.00 53.21 C ATOM 112 CE LYS A 8 18.141 3.041 -5.708 1.00 53.01 C ATOM 113 NZ LYS A 8 18.750 3.237 -7.047 1.00 23.32 N ATOM 0 H LYS A 8 14.947 0.235 -2.522 1.00 53.12 H new ATOM 0 HA LYS A 8 15.671 3.058 -2.263 1.00 2.34 H new ATOM 0 HB2 LYS A 8 15.053 1.325 -4.695 1.00 11.54 H new ATOM 0 HB3 LYS A 8 15.724 2.944 -4.729 1.00 11.54 H new ATOM 0 HG2 LYS A 8 17.677 1.940 -3.323 1.00 45.13 H new ATOM 0 HG3 LYS A 8 17.052 0.383 -3.829 1.00 45.13 H new ATOM 0 HD2 LYS A 8 18.724 0.993 -5.435 1.00 53.21 H new ATOM 0 HD3 LYS A 8 17.176 1.197 -6.233 1.00 53.21 H new ATOM 0 HE2 LYS A 8 17.233 3.639 -5.633 1.00 53.01 H new ATOM 0 HE3 LYS A 8 18.826 3.405 -4.943 1.00 53.01 H new ATOM 0 HZ1 LYS A 8 19.275 4.135 -7.062 1.00 23.32 H new ATOM 0 HZ2 LYS A 8 19.401 2.452 -7.250 1.00 23.32 H new ATOM 0 HZ3 LYS A 8 18.001 3.262 -7.769 1.00 23.32 H new ATOM 127 N SER A 9 12.705 1.955 -2.736 1.00 65.22 N ATOM 128 CA SER A 9 11.324 2.291 -3.043 1.00 64.11 C ATOM 129 C SER A 9 10.362 1.656 -2.044 1.00 20.15 C ATOM 130 O SER A 9 10.755 0.810 -1.239 1.00 62.21 O ATOM 131 CB SER A 9 10.996 1.834 -4.467 1.00 51.43 C ATOM 132 OG SER A 9 9.729 2.309 -4.894 1.00 45.21 O ATOM 0 H SER A 9 12.841 1.028 -2.332 1.00 65.22 H new ATOM 0 HA SER A 9 11.204 3.372 -2.970 1.00 64.11 H new ATOM 0 HB2 SER A 9 11.767 2.191 -5.150 1.00 51.43 H new ATOM 0 HB3 SER A 9 11.010 0.745 -4.512 1.00 51.43 H new ATOM 0 HG SER A 9 9.838 2.849 -5.704 1.00 45.21 H new ATOM 138 N PHE A 10 9.093 2.056 -2.123 1.00 60.24 N ATOM 139 CA PHE A 10 8.071 1.591 -1.193 1.00 12.14 C ATOM 140 C PHE A 10 7.898 0.082 -1.279 1.00 52.24 C ATOM 141 O PHE A 10 7.717 -0.582 -0.264 1.00 75.43 O ATOM 142 CB PHE A 10 6.729 2.292 -1.459 1.00 32.34 C ATOM 143 CG PHE A 10 6.149 2.038 -2.826 1.00 50.31 C ATOM 144 CD1 PHE A 10 6.573 2.767 -3.925 1.00 41.10 C ATOM 145 CD2 PHE A 10 5.174 1.067 -3.009 1.00 74.31 C ATOM 146 CE1 PHE A 10 6.039 2.534 -5.177 1.00 73.35 C ATOM 147 CE2 PHE A 10 4.638 0.830 -4.259 1.00 22.34 C ATOM 148 CZ PHE A 10 5.071 1.564 -5.345 1.00 55.00 C ATOM 0 H PHE A 10 8.749 2.707 -2.829 1.00 60.24 H new ATOM 0 HA PHE A 10 8.403 1.843 -0.186 1.00 12.14 H new ATOM 0 HB2 PHE A 10 6.009 1.968 -0.707 1.00 32.34 H new ATOM 0 HB3 PHE A 10 6.863 3.366 -1.329 1.00 32.34 H new ATOM 0 HD1 PHE A 10 7.330 3.527 -3.801 1.00 41.10 H new ATOM 0 HD2 PHE A 10 4.831 0.490 -2.163 1.00 74.31 H new ATOM 0 HE1 PHE A 10 6.379 3.111 -6.025 1.00 73.35 H new ATOM 0 HE2 PHE A 10 3.881 0.071 -4.387 1.00 22.34 H new ATOM 0 HZ PHE A 10 4.653 1.380 -6.324 1.00 55.00 H new ATOM 158 N HIS A 11 7.987 -0.462 -2.491 1.00 24.10 N ATOM 159 CA HIS A 11 7.786 -1.894 -2.693 1.00 64.41 C ATOM 160 C HIS A 11 8.850 -2.701 -1.960 1.00 10.43 C ATOM 161 O HIS A 11 8.631 -3.855 -1.605 1.00 51.55 O ATOM 162 CB HIS A 11 7.757 -2.264 -4.188 1.00 3.20 C ATOM 163 CG HIS A 11 8.985 -1.904 -4.973 1.00 70.13 C ATOM 164 ND1 HIS A 11 10.104 -2.709 -5.048 1.00 75.14 N ATOM 165 CD2 HIS A 11 9.249 -0.831 -5.754 1.00 35.53 C ATOM 166 CE1 HIS A 11 10.995 -2.146 -5.843 1.00 62.02 C ATOM 167 NE2 HIS A 11 10.503 -1.005 -6.285 1.00 40.41 N ATOM 0 H HIS A 11 8.195 0.062 -3.341 1.00 24.10 H new ATOM 0 HA HIS A 11 6.811 -2.145 -2.274 1.00 64.41 H new ATOM 0 HB2 HIS A 11 7.596 -3.339 -4.274 1.00 3.20 H new ATOM 0 HB3 HIS A 11 6.898 -1.775 -4.648 1.00 3.20 H new ATOM 0 HD2 HIS A 11 8.593 0.009 -5.928 1.00 35.53 H new ATOM 0 HE1 HIS A 11 11.965 -2.552 -6.090 1.00 62.02 H new ATOM 0 HE2 HIS A 11 10.976 -0.359 -6.917 1.00 40.41 H new ATOM 176 N ASP A 12 9.999 -2.083 -1.734 1.00 4.52 N ATOM 177 CA ASP A 12 11.080 -2.714 -1.001 1.00 74.41 C ATOM 178 C ASP A 12 10.835 -2.624 0.498 1.00 42.43 C ATOM 179 O ASP A 12 10.992 -3.609 1.227 1.00 22.33 O ATOM 180 CB ASP A 12 12.406 -2.046 -1.356 1.00 32.14 C ATOM 181 CG ASP A 12 12.698 -2.080 -2.835 1.00 2.45 C ATOM 182 OD1 ASP A 12 12.880 -3.189 -3.383 1.00 64.13 O ATOM 183 OD2 ASP A 12 12.730 -1.000 -3.456 1.00 13.14 O ATOM 0 H ASP A 12 10.206 -1.136 -2.052 1.00 4.52 H new ATOM 0 HA ASP A 12 11.123 -3.767 -1.280 1.00 74.41 H new ATOM 0 HB2 ASP A 12 12.388 -1.010 -1.017 1.00 32.14 H new ATOM 0 HB3 ASP A 12 13.214 -2.543 -0.819 1.00 32.14 H new ATOM 188 N PHE A 13 10.445 -1.436 0.947 1.00 43.10 N ATOM 189 CA PHE A 13 10.183 -1.185 2.350 1.00 72.54 C ATOM 190 C PHE A 13 9.012 -2.028 2.845 1.00 50.13 C ATOM 191 O PHE A 13 9.103 -2.687 3.884 1.00 54.30 O ATOM 192 CB PHE A 13 9.875 0.294 2.553 1.00 64.14 C ATOM 193 CG PHE A 13 11.095 1.163 2.683 1.00 54.23 C ATOM 194 CD1 PHE A 13 11.837 1.163 3.853 1.00 42.45 C ATOM 195 CD2 PHE A 13 11.489 1.985 1.641 1.00 4.03 C ATOM 196 CE1 PHE A 13 12.955 1.968 3.977 1.00 21.02 C ATOM 197 CE2 PHE A 13 12.605 2.791 1.758 1.00 14.22 C ATOM 198 CZ PHE A 13 13.339 2.783 2.929 1.00 14.04 C ATOM 0 H PHE A 13 10.303 -0.624 0.346 1.00 43.10 H new ATOM 0 HA PHE A 13 11.069 -1.459 2.923 1.00 72.54 H new ATOM 0 HB2 PHE A 13 9.278 0.648 1.713 1.00 64.14 H new ATOM 0 HB3 PHE A 13 9.264 0.407 3.449 1.00 64.14 H new ATOM 0 HD1 PHE A 13 11.540 0.529 4.675 1.00 42.45 H new ATOM 0 HD2 PHE A 13 10.917 1.996 0.725 1.00 4.03 H new ATOM 0 HE1 PHE A 13 13.528 1.960 4.893 1.00 21.02 H new ATOM 0 HE2 PHE A 13 12.903 3.426 0.937 1.00 14.22 H new ATOM 0 HZ PHE A 13 14.211 3.413 3.025 1.00 14.04 H new ATOM 208 N VAL A 14 7.919 -2.010 2.086 1.00 22.24 N ATOM 209 CA VAL A 14 6.723 -2.762 2.440 1.00 72.41 C ATOM 210 C VAL A 14 7.037 -4.249 2.555 1.00 22.33 C ATOM 211 O VAL A 14 6.588 -4.911 3.487 1.00 1.00 O ATOM 212 CB VAL A 14 5.584 -2.551 1.409 1.00 71.24 C ATOM 213 CG1 VAL A 14 4.368 -3.401 1.757 1.00 43.31 C ATOM 214 CG2 VAL A 14 5.194 -1.082 1.329 1.00 53.33 C ATOM 0 H VAL A 14 7.839 -1.480 1.218 1.00 22.24 H new ATOM 0 HA VAL A 14 6.383 -2.387 3.406 1.00 72.41 H new ATOM 0 HB VAL A 14 5.955 -2.866 0.434 1.00 71.24 H new ATOM 0 HG11 VAL A 14 3.584 -3.234 1.018 1.00 43.31 H new ATOM 0 HG12 VAL A 14 4.648 -4.454 1.757 1.00 43.31 H new ATOM 0 HG13 VAL A 14 4.001 -3.123 2.745 1.00 43.31 H new ATOM 0 HG21 VAL A 14 4.394 -0.957 0.600 1.00 53.33 H new ATOM 0 HG22 VAL A 14 4.851 -0.743 2.306 1.00 53.33 H new ATOM 0 HG23 VAL A 14 6.058 -0.492 1.023 1.00 53.33 H new ATOM 224 N ALA A 15 7.848 -4.756 1.630 1.00 62.50 N ATOM 225 CA ALA A 15 8.170 -6.177 1.590 1.00 24.52 C ATOM 226 C ALA A 15 8.935 -6.619 2.835 1.00 3.12 C ATOM 227 O ALA A 15 8.830 -7.766 3.263 1.00 45.35 O ATOM 228 CB ALA A 15 8.969 -6.497 0.336 1.00 50.32 C ATOM 0 H ALA A 15 8.294 -4.202 0.898 1.00 62.50 H new ATOM 0 HA ALA A 15 7.231 -6.731 1.568 1.00 24.52 H new ATOM 0 HB1 ALA A 15 9.204 -7.561 0.316 1.00 50.32 H new ATOM 0 HB2 ALA A 15 8.382 -6.239 -0.545 1.00 50.32 H new ATOM 0 HB3 ALA A 15 9.894 -5.921 0.337 1.00 50.32 H new ATOM 234 N SER A 16 9.695 -5.706 3.422 1.00 52.03 N ATOM 235 CA SER A 16 10.488 -6.024 4.600 1.00 31.42 C ATOM 236 C SER A 16 9.635 -5.944 5.864 1.00 35.42 C ATOM 237 O SER A 16 9.768 -6.767 6.772 1.00 5.44 O ATOM 238 CB SER A 16 11.683 -5.071 4.705 1.00 2.43 C ATOM 239 OG SER A 16 12.578 -5.470 5.730 1.00 1.45 O ATOM 0 H SER A 16 9.779 -4.741 3.103 1.00 52.03 H new ATOM 0 HA SER A 16 10.858 -7.045 4.501 1.00 31.42 H new ATOM 0 HB2 SER A 16 12.210 -5.041 3.752 1.00 2.43 H new ATOM 0 HB3 SER A 16 11.327 -4.060 4.905 1.00 2.43 H new ATOM 0 HG SER A 16 13.241 -4.764 5.879 1.00 1.45 H new ATOM 245 N TYR A 17 8.750 -4.956 5.915 1.00 32.03 N ATOM 246 CA TYR A 17 7.916 -4.733 7.090 1.00 35.24 C ATOM 247 C TYR A 17 6.775 -5.749 7.147 1.00 11.15 C ATOM 248 O TYR A 17 6.414 -6.240 8.221 1.00 3.42 O ATOM 249 CB TYR A 17 7.355 -3.307 7.068 1.00 62.34 C ATOM 250 CG TYR A 17 6.722 -2.871 8.373 1.00 51.34 C ATOM 251 CD1 TYR A 17 7.502 -2.359 9.404 1.00 35.52 C ATOM 252 CD2 TYR A 17 5.349 -2.964 8.573 1.00 51.15 C ATOM 253 CE1 TYR A 17 6.935 -1.954 10.594 1.00 33.12 C ATOM 254 CE2 TYR A 17 4.776 -2.559 9.764 1.00 50.21 C ATOM 255 CZ TYR A 17 5.574 -2.055 10.770 1.00 33.10 C ATOM 256 OH TYR A 17 5.009 -1.652 11.954 1.00 70.32 O ATOM 0 H TYR A 17 8.591 -4.295 5.155 1.00 32.03 H new ATOM 0 HA TYR A 17 8.531 -4.862 7.981 1.00 35.24 H new ATOM 0 HB2 TYR A 17 8.160 -2.615 6.818 1.00 62.34 H new ATOM 0 HB3 TYR A 17 6.612 -3.232 6.274 1.00 62.34 H new ATOM 0 HD1 TYR A 17 8.571 -2.277 9.270 1.00 35.52 H new ATOM 0 HD2 TYR A 17 4.722 -3.358 7.787 1.00 51.15 H new ATOM 0 HE1 TYR A 17 7.556 -1.559 11.384 1.00 33.12 H new ATOM 0 HE2 TYR A 17 3.708 -2.637 9.906 1.00 50.21 H new ATOM 0 HH TYR A 17 4.039 -1.788 11.917 1.00 70.32 H new ATOM 266 N MET A 18 6.232 -6.074 5.977 1.00 42.43 N ATOM 267 CA MET A 18 5.086 -6.972 5.871 1.00 15.32 C ATOM 268 C MET A 18 5.407 -8.356 6.428 1.00 44.33 C ATOM 269 O MET A 18 4.517 -9.044 6.915 1.00 23.10 O ATOM 270 CB MET A 18 4.615 -7.077 4.417 1.00 72.23 C ATOM 271 CG MET A 18 3.389 -7.958 4.231 1.00 30.42 C ATOM 272 SD MET A 18 2.698 -7.853 2.569 1.00 22.41 S ATOM 273 CE MET A 18 2.146 -6.149 2.540 1.00 3.31 C ATOM 0 H MET A 18 6.571 -5.725 5.081 1.00 42.43 H new ATOM 0 HA MET A 18 4.280 -6.550 6.471 1.00 15.32 H new ATOM 0 HB2 MET A 18 4.393 -6.077 4.044 1.00 72.23 H new ATOM 0 HB3 MET A 18 5.429 -7.470 3.809 1.00 72.23 H new ATOM 0 HG2 MET A 18 3.656 -8.993 4.444 1.00 30.42 H new ATOM 0 HG3 MET A 18 2.627 -7.670 4.955 1.00 30.42 H new ATOM 0 HE1 MET A 18 1.073 -6.117 2.350 1.00 3.31 H new ATOM 0 HE2 MET A 18 2.358 -5.681 3.501 1.00 3.31 H new ATOM 0 HE3 MET A 18 2.670 -5.610 1.751 1.00 3.31 H new ATOM 283 N LYS A 19 6.679 -8.753 6.357 1.00 24.43 N ATOM 284 CA LYS A 19 7.121 -10.058 6.869 1.00 33.14 C ATOM 285 C LYS A 19 6.624 -10.309 8.292 1.00 74.34 C ATOM 286 O LYS A 19 6.313 -11.440 8.666 1.00 44.45 O ATOM 287 CB LYS A 19 8.645 -10.143 6.859 1.00 12.42 C ATOM 288 CG LYS A 19 9.262 -10.047 5.479 1.00 44.15 C ATOM 289 CD LYS A 19 10.773 -10.090 5.563 1.00 50.43 C ATOM 290 CE LYS A 19 11.416 -10.081 4.187 1.00 15.23 C ATOM 291 NZ LYS A 19 12.897 -10.170 4.268 1.00 64.23 N ATOM 0 H LYS A 19 7.425 -8.190 5.949 1.00 24.43 H new ATOM 0 HA LYS A 19 6.697 -10.818 6.213 1.00 33.14 H new ATOM 0 HB2 LYS A 19 9.047 -9.343 7.481 1.00 12.42 H new ATOM 0 HB3 LYS A 19 8.948 -11.085 7.316 1.00 12.42 H new ATOM 0 HG2 LYS A 19 8.904 -10.868 4.858 1.00 44.15 H new ATOM 0 HG3 LYS A 19 8.946 -9.121 4.998 1.00 44.15 H new ATOM 0 HD2 LYS A 19 11.129 -9.234 6.136 1.00 50.43 H new ATOM 0 HD3 LYS A 19 11.082 -10.986 6.102 1.00 50.43 H new ATOM 0 HE2 LYS A 19 11.033 -10.917 3.602 1.00 15.23 H new ATOM 0 HE3 LYS A 19 11.135 -9.169 3.661 1.00 15.23 H new ATOM 0 HZ1 LYS A 19 13.298 -10.161 3.309 1.00 64.23 H new ATOM 0 HZ2 LYS A 19 13.265 -9.359 4.805 1.00 64.23 H new ATOM 0 HZ3 LYS A 19 13.166 -11.053 4.747 1.00 64.23 H new ATOM 305 N THR A 20 6.576 -9.255 9.087 1.00 32.43 N ATOM 306 CA THR A 20 6.096 -9.353 10.455 1.00 61.44 C ATOM 307 C THR A 20 4.566 -9.366 10.499 1.00 4.10 C ATOM 308 O THR A 20 3.961 -10.123 11.261 1.00 62.51 O ATOM 309 CB THR A 20 6.635 -8.190 11.308 1.00 61.11 C ATOM 310 OG1 THR A 20 8.066 -8.141 11.204 1.00 11.53 O ATOM 311 CG2 THR A 20 6.233 -8.350 12.765 1.00 73.22 C ATOM 0 H THR A 20 6.865 -8.317 8.808 1.00 32.43 H new ATOM 0 HA THR A 20 6.464 -10.292 10.869 1.00 61.44 H new ATOM 0 HB THR A 20 6.205 -7.261 10.934 1.00 61.11 H new ATOM 0 HG1 THR A 20 8.408 -7.400 11.746 1.00 11.53 H new ATOM 0 HG21 THR A 20 6.627 -7.515 13.345 1.00 73.22 H new ATOM 0 HG22 THR A 20 5.146 -8.365 12.843 1.00 73.22 H new ATOM 0 HG23 THR A 20 6.638 -9.284 13.154 1.00 73.22 H new ATOM 319 N TYR A 21 3.946 -8.550 9.652 1.00 43.33 N ATOM 320 CA TYR A 21 2.492 -8.427 9.622 1.00 2.45 C ATOM 321 C TYR A 21 1.845 -9.702 9.083 1.00 33.11 C ATOM 322 O TYR A 21 0.758 -10.085 9.514 1.00 34.25 O ATOM 323 CB TYR A 21 2.078 -7.220 8.768 1.00 53.54 C ATOM 324 CG TYR A 21 0.582 -7.005 8.701 1.00 32.11 C ATOM 325 CD1 TYR A 21 -0.116 -6.504 9.792 1.00 1.41 C ATOM 326 CD2 TYR A 21 -0.132 -7.307 7.548 1.00 62.34 C ATOM 327 CE1 TYR A 21 -1.481 -6.309 9.738 1.00 53.40 C ATOM 328 CE2 TYR A 21 -1.498 -7.117 7.487 1.00 61.12 C ATOM 329 CZ TYR A 21 -2.169 -6.616 8.584 1.00 35.13 C ATOM 330 OH TYR A 21 -3.531 -6.425 8.530 1.00 0.53 O ATOM 0 H TYR A 21 4.430 -7.961 8.974 1.00 43.33 H new ATOM 0 HA TYR A 21 2.143 -8.275 10.643 1.00 2.45 H new ATOM 0 HB2 TYR A 21 2.547 -6.323 9.172 1.00 53.54 H new ATOM 0 HB3 TYR A 21 2.462 -7.353 7.757 1.00 53.54 H new ATOM 0 HD1 TYR A 21 0.419 -6.263 10.699 1.00 1.41 H new ATOM 0 HD2 TYR A 21 0.390 -7.696 6.686 1.00 62.34 H new ATOM 0 HE1 TYR A 21 -2.008 -5.918 10.596 1.00 53.40 H new ATOM 0 HE2 TYR A 21 -2.039 -7.359 6.584 1.00 61.12 H new ATOM 0 HH TYR A 21 -3.864 -6.689 7.647 1.00 0.53 H new ATOM 340 N SER A 22 2.525 -10.370 8.158 1.00 52.05 N ATOM 341 CA SER A 22 2.002 -11.587 7.546 1.00 42.21 C ATOM 342 C SER A 22 1.911 -12.724 8.561 1.00 34.54 C ATOM 343 O SER A 22 1.290 -13.753 8.303 1.00 51.30 O ATOM 344 CB SER A 22 2.880 -12.001 6.363 1.00 62.34 C ATOM 345 OG SER A 22 4.240 -12.092 6.743 1.00 23.11 O ATOM 0 H SER A 22 3.443 -10.088 7.814 1.00 52.05 H new ATOM 0 HA SER A 22 0.994 -11.378 7.187 1.00 42.21 H new ATOM 0 HB2 SER A 22 2.543 -12.962 5.975 1.00 62.34 H new ATOM 0 HB3 SER A 22 2.773 -11.276 5.556 1.00 62.34 H new ATOM 0 HG SER A 22 4.643 -11.199 6.732 1.00 23.11 H new ATOM 351 N ARG A 23 2.535 -12.538 9.715 1.00 51.20 N ATOM 352 CA ARG A 23 2.479 -13.530 10.774 1.00 63.11 C ATOM 353 C ARG A 23 1.135 -13.470 11.490 1.00 44.12 C ATOM 354 O ARG A 23 0.643 -14.479 11.994 1.00 44.43 O ATOM 355 CB ARG A 23 3.619 -13.311 11.764 1.00 21.14 C ATOM 356 CG ARG A 23 4.999 -13.487 11.149 1.00 1.21 C ATOM 357 CD ARG A 23 6.103 -13.237 12.164 1.00 71.13 C ATOM 358 NE ARG A 23 6.072 -14.191 13.272 1.00 14.11 N ATOM 359 CZ ARG A 23 7.140 -14.514 14.004 1.00 12.14 C ATOM 360 NH1 ARG A 23 8.323 -13.972 13.727 1.00 43.31 N ATOM 361 NH2 ARG A 23 7.024 -15.381 15.004 1.00 71.33 N ATOM 0 H ARG A 23 3.085 -11.709 9.940 1.00 51.20 H new ATOM 0 HA ARG A 23 2.589 -14.519 10.329 1.00 63.11 H new ATOM 0 HB2 ARG A 23 3.541 -12.306 12.180 1.00 21.14 H new ATOM 0 HB3 ARG A 23 3.508 -14.009 12.594 1.00 21.14 H new ATOM 0 HG2 ARG A 23 5.093 -14.497 10.750 1.00 1.21 H new ATOM 0 HG3 ARG A 23 5.114 -12.801 10.310 1.00 1.21 H new ATOM 0 HD2 ARG A 23 7.071 -13.296 11.665 1.00 71.13 H new ATOM 0 HD3 ARG A 23 6.008 -12.225 12.557 1.00 71.13 H new ATOM 0 HE ARG A 23 5.182 -14.635 13.498 1.00 14.11 H new ATOM 0 HH11 ARG A 23 8.413 -13.310 12.956 1.00 43.31 H new ATOM 0 HH12 ARG A 23 9.140 -14.218 14.286 1.00 43.31 H new ATOM 0 HH21 ARG A 23 6.118 -15.800 15.213 1.00 71.33 H new ATOM 0 HH22 ARG A 23 7.841 -15.627 15.563 1.00 71.33 H new ATOM 375 N ARG A 24 0.531 -12.288 11.507 1.00 12.25 N ATOM 376 CA ARG A 24 -0.760 -12.101 12.154 1.00 12.30 C ATOM 377 C ARG A 24 -1.858 -11.913 11.111 1.00 32.53 C ATOM 378 O ARG A 24 -2.981 -11.511 11.424 1.00 64.32 O ATOM 379 CB ARG A 24 -0.711 -10.917 13.122 1.00 64.34 C ATOM 380 CG ARG A 24 -0.445 -9.574 12.462 1.00 25.03 C ATOM 381 CD ARG A 24 -0.235 -8.491 13.506 1.00 4.20 C ATOM 382 NE ARG A 24 -1.320 -8.457 14.483 1.00 53.53 N ATOM 383 CZ ARG A 24 -1.145 -8.286 15.792 1.00 22.51 C ATOM 384 NH1 ARG A 24 0.075 -8.145 16.295 1.00 2.51 N ATOM 385 NH2 ARG A 24 -2.194 -8.262 16.603 1.00 41.33 N ATOM 0 H ARG A 24 0.915 -11.445 11.080 1.00 12.25 H new ATOM 0 HA ARG A 24 -0.992 -12.996 12.731 1.00 12.30 H new ATOM 0 HB2 ARG A 24 -1.659 -10.863 13.658 1.00 64.34 H new ATOM 0 HB3 ARG A 24 0.065 -11.103 13.864 1.00 64.34 H new ATOM 0 HG2 ARG A 24 0.436 -9.646 11.824 1.00 25.03 H new ATOM 0 HG3 ARG A 24 -1.284 -9.307 11.819 1.00 25.03 H new ATOM 0 HD2 ARG A 24 0.711 -8.661 14.020 1.00 4.20 H new ATOM 0 HD3 ARG A 24 -0.160 -7.522 13.013 1.00 4.20 H new ATOM 0 HE ARG A 24 -2.274 -8.572 14.140 1.00 53.53 H new ATOM 0 HH11 ARG A 24 0.887 -8.167 15.678 1.00 2.51 H new ATOM 0 HH12 ARG A 24 0.201 -8.014 17.299 1.00 2.51 H new ATOM 0 HH21 ARG A 24 -3.134 -8.375 16.224 1.00 41.33 H new ATOM 0 HH22 ARG A 24 -2.061 -8.131 17.606 1.00 41.33 H new ATOM 399 N LEU A 25 -1.522 -12.215 9.865 1.00 41.22 N ATOM 400 CA LEU A 25 -2.490 -12.227 8.785 1.00 52.40 C ATOM 401 C LEU A 25 -2.608 -13.648 8.279 1.00 0.54 C ATOM 402 O LEU A 25 -1.594 -14.333 8.137 1.00 0.51 O ATOM 403 CB LEU A 25 -2.049 -11.316 7.635 1.00 51.22 C ATOM 404 CG LEU A 25 -3.127 -10.983 6.605 1.00 34.12 C ATOM 405 CD1 LEU A 25 -4.265 -10.209 7.251 1.00 35.50 C ATOM 406 CD2 LEU A 25 -2.530 -10.195 5.450 1.00 13.25 C ATOM 0 H LEU A 25 -0.574 -12.457 9.578 1.00 41.22 H new ATOM 0 HA LEU A 25 -3.447 -11.860 9.156 1.00 52.40 H new ATOM 0 HB2 LEU A 25 -1.675 -10.383 8.057 1.00 51.22 H new ATOM 0 HB3 LEU A 25 -1.214 -11.790 7.120 1.00 51.22 H new ATOM 0 HG LEU A 25 -3.531 -11.917 6.213 1.00 34.12 H new ATOM 0 HD11 LEU A 25 -5.022 -9.982 6.501 1.00 35.50 H new ATOM 0 HD12 LEU A 25 -4.709 -10.810 8.045 1.00 35.50 H new ATOM 0 HD13 LEU A 25 -3.880 -9.280 7.672 1.00 35.50 H new ATOM 0 HD21 LEU A 25 -3.310 -9.965 4.724 1.00 13.25 H new ATOM 0 HD22 LEU A 25 -2.100 -9.267 5.827 1.00 13.25 H new ATOM 0 HD23 LEU A 25 -1.751 -10.787 4.970 1.00 13.25 H new ATOM 418 N GLU A 26 -3.822 -14.111 8.049 1.00 42.32 N ATOM 419 CA GLU A 26 -4.012 -15.431 7.495 1.00 55.31 C ATOM 420 C GLU A 26 -3.337 -15.518 6.128 1.00 70.10 C ATOM 421 O GLU A 26 -3.287 -14.537 5.378 1.00 33.43 O ATOM 422 CB GLU A 26 -5.497 -15.761 7.383 1.00 40.41 C ATOM 423 CG GLU A 26 -6.216 -14.996 6.292 1.00 70.42 C ATOM 424 CD GLU A 26 -7.657 -15.428 6.129 1.00 32.45 C ATOM 425 OE1 GLU A 26 -7.907 -16.401 5.386 1.00 73.43 O ATOM 426 OE2 GLU A 26 -8.546 -14.796 6.735 1.00 75.24 O ATOM 0 H GLU A 26 -4.682 -13.596 8.236 1.00 42.32 H new ATOM 0 HA GLU A 26 -3.556 -16.162 8.162 1.00 55.31 H new ATOM 0 HB2 GLU A 26 -5.609 -16.829 7.198 1.00 40.41 H new ATOM 0 HB3 GLU A 26 -5.979 -15.551 8.338 1.00 40.41 H new ATOM 0 HG2 GLU A 26 -6.184 -13.930 6.519 1.00 70.42 H new ATOM 0 HG3 GLU A 26 -5.690 -15.137 5.348 1.00 70.42 H new ATOM 433 N ILE A 27 -2.820 -16.686 5.813 1.00 70.24 N ATOM 434 CA ILE A 27 -2.059 -16.872 4.589 1.00 65.31 C ATOM 435 C ILE A 27 -2.972 -16.768 3.374 1.00 73.00 C ATOM 436 O ILE A 27 -2.538 -16.365 2.296 1.00 61.44 O ATOM 437 CB ILE A 27 -1.326 -18.234 4.580 1.00 63.54 C ATOM 438 CG1 ILE A 27 -0.455 -18.384 5.835 1.00 35.04 C ATOM 439 CG2 ILE A 27 -0.475 -18.378 3.324 1.00 32.03 C ATOM 440 CD1 ILE A 27 0.596 -17.303 5.982 1.00 22.24 C ATOM 0 H ILE A 27 -2.911 -17.525 6.386 1.00 70.24 H new ATOM 0 HA ILE A 27 -1.309 -16.082 4.544 1.00 65.31 H new ATOM 0 HB ILE A 27 -2.076 -19.025 4.581 1.00 63.54 H new ATOM 0 HG12 ILE A 27 -1.098 -18.375 6.715 1.00 35.04 H new ATOM 0 HG13 ILE A 27 0.038 -19.356 5.810 1.00 35.04 H new ATOM 0 HG21 ILE A 27 0.032 -19.343 3.337 1.00 32.03 H new ATOM 0 HG22 ILE A 27 -1.113 -18.316 2.443 1.00 32.03 H new ATOM 0 HG23 ILE A 27 0.266 -17.579 3.293 1.00 32.03 H new ATOM 0 HD11 ILE A 27 1.171 -17.476 6.891 1.00 22.24 H new ATOM 0 HD12 ILE A 27 1.263 -17.325 5.121 1.00 22.24 H new ATOM 0 HD13 ILE A 27 0.110 -16.329 6.040 1.00 22.24 H new ATOM 452 N GLY A 28 -4.243 -17.100 3.569 1.00 31.10 N ATOM 453 CA GLY A 28 -5.208 -17.042 2.489 1.00 62.41 C ATOM 454 C GLY A 28 -5.249 -15.686 1.811 1.00 34.32 C ATOM 455 O GLY A 28 -5.197 -15.600 0.586 1.00 52.02 O ATOM 0 H GLY A 28 -4.624 -17.410 4.463 1.00 31.10 H new ATOM 0 HA2 GLY A 28 -4.966 -17.806 1.750 1.00 62.41 H new ATOM 0 HA3 GLY A 28 -6.198 -17.278 2.879 1.00 62.41 H new ATOM 459 N THR A 29 -5.325 -14.626 2.604 1.00 0.21 N ATOM 460 CA THR A 29 -5.385 -13.281 2.054 1.00 62.43 C ATOM 461 C THR A 29 -3.992 -12.797 1.633 1.00 74.32 C ATOM 462 O THR A 29 -3.818 -12.301 0.517 1.00 42.32 O ATOM 463 CB THR A 29 -6.041 -12.285 3.045 1.00 70.34 C ATOM 464 OG1 THR A 29 -6.068 -10.965 2.491 1.00 74.25 O ATOM 465 CG2 THR A 29 -5.316 -12.262 4.379 1.00 0.21 C ATOM 0 H THR A 29 -5.346 -14.671 3.623 1.00 0.21 H new ATOM 0 HA THR A 29 -6.015 -13.321 1.165 1.00 62.43 H new ATOM 0 HB THR A 29 -7.062 -12.626 3.216 1.00 70.34 H new ATOM 0 HG1 THR A 29 -6.487 -10.351 3.130 1.00 74.25 H new ATOM 0 HG21 THR A 29 -5.805 -11.553 5.047 1.00 0.21 H new ATOM 0 HG22 THR A 29 -5.342 -13.257 4.824 1.00 0.21 H new ATOM 0 HG23 THR A 29 -4.280 -11.960 4.225 1.00 0.21 H new ATOM 473 N PHE A 30 -3.006 -12.966 2.518 1.00 64.24 N ATOM 474 CA PHE A 30 -1.625 -12.582 2.237 1.00 14.42 C ATOM 475 C PHE A 30 -1.122 -13.151 0.906 1.00 54.21 C ATOM 476 O PHE A 30 -0.528 -12.437 0.100 1.00 14.10 O ATOM 477 CB PHE A 30 -0.726 -13.055 3.386 1.00 4.51 C ATOM 478 CG PHE A 30 0.739 -12.794 3.170 1.00 34.11 C ATOM 479 CD1 PHE A 30 1.218 -11.499 3.048 1.00 14.53 C ATOM 480 CD2 PHE A 30 1.637 -13.847 3.099 1.00 45.40 C ATOM 481 CE1 PHE A 30 2.564 -11.261 2.856 1.00 55.13 C ATOM 482 CE2 PHE A 30 2.983 -13.612 2.908 1.00 33.04 C ATOM 483 CZ PHE A 30 3.447 -12.318 2.786 1.00 70.11 C ATOM 0 H PHE A 30 -3.144 -13.371 3.444 1.00 64.24 H new ATOM 0 HA PHE A 30 -1.589 -11.496 2.153 1.00 14.42 H new ATOM 0 HB2 PHE A 30 -1.040 -12.561 4.305 1.00 4.51 H new ATOM 0 HB3 PHE A 30 -0.875 -14.125 3.532 1.00 4.51 H new ATOM 0 HD1 PHE A 30 0.531 -10.668 3.104 1.00 14.53 H new ATOM 0 HD2 PHE A 30 1.280 -14.862 3.194 1.00 45.40 H new ATOM 0 HE1 PHE A 30 2.925 -10.248 2.761 1.00 55.13 H new ATOM 0 HE2 PHE A 30 3.674 -14.441 2.854 1.00 33.04 H new ATOM 0 HZ PHE A 30 4.500 -12.133 2.636 1.00 70.11 H new ATOM 493 N ARG A 31 -1.385 -14.431 0.672 1.00 11.33 N ATOM 494 CA ARG A 31 -0.873 -15.131 -0.503 1.00 22.32 C ATOM 495 C ARG A 31 -1.462 -14.575 -1.804 1.00 73.22 C ATOM 496 O ARG A 31 -0.876 -14.739 -2.875 1.00 44.41 O ATOM 497 CB ARG A 31 -1.185 -16.624 -0.381 1.00 51.05 C ATOM 498 CG ARG A 31 -0.271 -17.518 -1.196 1.00 53.40 C ATOM 499 CD ARG A 31 -0.591 -18.986 -0.963 1.00 61.21 C ATOM 500 NE ARG A 31 0.271 -19.868 -1.742 1.00 13.33 N ATOM 501 CZ ARG A 31 0.625 -21.093 -1.358 1.00 34.04 C ATOM 502 NH1 ARG A 31 0.204 -21.583 -0.195 1.00 71.52 N ATOM 503 NH2 ARG A 31 1.409 -21.827 -2.133 1.00 15.11 N ATOM 0 H ARG A 31 -1.956 -15.012 1.287 1.00 11.33 H new ATOM 0 HA ARG A 31 0.205 -14.978 -0.544 1.00 22.32 H new ATOM 0 HB2 ARG A 31 -1.117 -16.913 0.668 1.00 51.05 H new ATOM 0 HB3 ARG A 31 -2.215 -16.795 -0.693 1.00 51.05 H new ATOM 0 HG2 ARG A 31 -0.377 -17.283 -2.255 1.00 53.40 H new ATOM 0 HG3 ARG A 31 0.767 -17.322 -0.929 1.00 53.40 H new ATOM 0 HD2 ARG A 31 -0.481 -19.216 0.097 1.00 61.21 H new ATOM 0 HD3 ARG A 31 -1.632 -19.175 -1.224 1.00 61.21 H new ATOM 0 HE ARG A 31 0.624 -19.526 -2.635 1.00 13.33 H new ATOM 0 HH11 ARG A 31 -0.394 -21.020 0.409 1.00 71.52 H new ATOM 0 HH12 ARG A 31 0.479 -22.522 0.092 1.00 71.52 H new ATOM 0 HH21 ARG A 31 1.741 -21.454 -3.022 1.00 15.11 H new ATOM 0 HH22 ARG A 31 1.681 -22.765 -1.840 1.00 15.11 H new ATOM 517 N HIS A 32 -2.615 -13.910 -1.714 1.00 52.43 N ATOM 518 CA HIS A 32 -3.281 -13.372 -2.902 1.00 61.15 C ATOM 519 C HIS A 32 -2.499 -12.209 -3.494 1.00 33.32 C ATOM 520 O HIS A 32 -2.544 -11.967 -4.699 1.00 51.25 O ATOM 521 CB HIS A 32 -4.701 -12.891 -2.585 1.00 0.14 C ATOM 522 CG HIS A 32 -5.689 -13.981 -2.305 1.00 52.42 C ATOM 523 ND1 HIS A 32 -5.616 -15.238 -2.866 1.00 34.53 N ATOM 524 CD2 HIS A 32 -6.795 -13.985 -1.524 1.00 41.34 C ATOM 525 CE1 HIS A 32 -6.634 -15.964 -2.444 1.00 42.42 C ATOM 526 NE2 HIS A 32 -7.363 -15.229 -1.628 1.00 52.10 N ATOM 0 H HIS A 32 -3.105 -13.732 -0.837 1.00 52.43 H new ATOM 0 HA HIS A 32 -3.329 -14.188 -3.624 1.00 61.15 H new ATOM 0 HB2 HIS A 32 -4.660 -12.228 -1.721 1.00 0.14 H new ATOM 0 HB3 HIS A 32 -5.064 -12.299 -3.425 1.00 0.14 H new ATOM 0 HD2 HIS A 32 -7.162 -13.161 -0.929 1.00 41.34 H new ATOM 0 HE1 HIS A 32 -6.836 -16.988 -2.721 1.00 42.42 H new ATOM 0 HE2 HIS A 32 -8.211 -15.535 -1.152 1.00 52.10 H new ATOM 535 N HIS A 33 -1.782 -11.492 -2.646 1.00 65.23 N ATOM 536 CA HIS A 33 -1.085 -10.288 -3.065 1.00 15.15 C ATOM 537 C HIS A 33 0.281 -10.246 -2.395 1.00 74.34 C ATOM 538 O HIS A 33 0.674 -9.240 -1.808 1.00 64.24 O ATOM 539 CB HIS A 33 -1.920 -9.064 -2.681 1.00 61.11 C ATOM 540 CG HIS A 33 -1.690 -7.866 -3.550 1.00 61.12 C ATOM 541 ND1 HIS A 33 -2.108 -7.802 -4.859 1.00 44.32 N ATOM 542 CD2 HIS A 33 -1.112 -6.674 -3.286 1.00 22.40 C ATOM 543 CE1 HIS A 33 -1.805 -6.623 -5.359 1.00 73.43 C ATOM 544 NE2 HIS A 33 -1.200 -5.914 -4.427 1.00 73.43 N ATOM 0 H HIS A 33 -1.667 -11.724 -1.659 1.00 65.23 H new ATOM 0 HA HIS A 33 -0.944 -10.286 -4.146 1.00 15.15 H new ATOM 0 HB2 HIS A 33 -2.976 -9.331 -2.722 1.00 61.11 H new ATOM 0 HB3 HIS A 33 -1.699 -8.797 -1.648 1.00 61.11 H new ATOM 0 HD1 HIS A 33 -2.580 -8.552 -5.364 1.00 44.32 H new ATOM 0 HD2 HIS A 33 -0.663 -6.374 -2.351 1.00 22.40 H new ATOM 0 HE1 HIS A 33 -2.017 -6.292 -6.365 1.00 73.43 H new ATOM 553 N LYS A 34 1.000 -11.353 -2.511 1.00 50.31 N ATOM 554 CA LYS A 34 2.231 -11.565 -1.764 1.00 40.13 C ATOM 555 C LYS A 34 3.456 -11.042 -2.515 1.00 52.35 C ATOM 556 O LYS A 34 4.263 -10.295 -1.962 1.00 51.42 O ATOM 557 CB LYS A 34 2.384 -13.063 -1.473 1.00 33.04 C ATOM 558 CG LYS A 34 3.642 -13.433 -0.705 1.00 1.22 C ATOM 559 CD LYS A 34 3.690 -14.924 -0.414 1.00 12.02 C ATOM 560 CE LYS A 34 4.989 -15.307 0.270 1.00 3.41 C ATOM 561 NZ LYS A 34 5.081 -16.766 0.543 1.00 23.42 N ATOM 0 H LYS A 34 0.747 -12.128 -3.124 1.00 50.31 H new ATOM 0 HA LYS A 34 2.168 -11.005 -0.831 1.00 40.13 H new ATOM 0 HB2 LYS A 34 1.516 -13.400 -0.907 1.00 33.04 H new ATOM 0 HB3 LYS A 34 2.378 -13.606 -2.418 1.00 33.04 H new ATOM 0 HG2 LYS A 34 4.521 -13.144 -1.281 1.00 1.22 H new ATOM 0 HG3 LYS A 34 3.677 -12.876 0.231 1.00 1.22 H new ATOM 0 HD2 LYS A 34 2.847 -15.201 0.219 1.00 12.02 H new ATOM 0 HD3 LYS A 34 3.587 -15.482 -1.344 1.00 12.02 H new ATOM 0 HE2 LYS A 34 5.828 -15.004 -0.356 1.00 3.41 H new ATOM 0 HE3 LYS A 34 5.077 -14.759 1.208 1.00 3.41 H new ATOM 0 HZ1 LYS A 34 5.986 -16.975 1.011 1.00 23.42 H new ATOM 0 HZ2 LYS A 34 4.297 -17.053 1.163 1.00 23.42 H new ATOM 0 HZ3 LYS A 34 5.025 -17.291 -0.353 1.00 23.42 H new ATOM 575 N SER A 35 3.593 -11.427 -3.775 1.00 74.24 N ATOM 576 CA SER A 35 4.786 -11.092 -4.544 1.00 63.00 C ATOM 577 C SER A 35 4.507 -9.952 -5.524 1.00 22.52 C ATOM 578 O SER A 35 5.386 -9.543 -6.287 1.00 62.21 O ATOM 579 CB SER A 35 5.272 -12.329 -5.303 1.00 32.35 C ATOM 580 OG SER A 35 5.328 -13.463 -4.449 1.00 54.12 O ATOM 0 H SER A 35 2.897 -11.969 -4.287 1.00 74.24 H new ATOM 0 HA SER A 35 5.561 -10.760 -3.853 1.00 63.00 H new ATOM 0 HB2 SER A 35 4.603 -12.532 -6.139 1.00 32.35 H new ATOM 0 HB3 SER A 35 6.259 -12.137 -5.723 1.00 32.35 H new ATOM 0 HG SER A 35 5.640 -14.241 -4.958 1.00 54.12 H new ATOM 586 N CYS A 36 3.287 -9.429 -5.478 1.00 74.25 N ATOM 587 CA CYS A 36 2.842 -8.418 -6.431 1.00 62.44 C ATOM 588 C CYS A 36 3.666 -7.133 -6.353 1.00 11.40 C ATOM 589 O CYS A 36 4.301 -6.747 -7.329 1.00 33.11 O ATOM 590 CB CYS A 36 1.369 -8.093 -6.195 1.00 63.45 C ATOM 591 SG CYS A 36 0.264 -9.503 -6.423 1.00 33.22 S ATOM 0 H CYS A 36 2.584 -9.690 -4.786 1.00 74.25 H new ATOM 0 HA CYS A 36 2.982 -8.836 -7.428 1.00 62.44 H new ATOM 0 HB2 CYS A 36 1.249 -7.710 -5.182 1.00 63.45 H new ATOM 0 HB3 CYS A 36 1.069 -7.295 -6.875 1.00 63.45 H new ATOM 0 HG CYS A 36 -0.908 -9.219 -5.938 1.00 33.22 H new ATOM 597 N MET A 37 3.656 -6.493 -5.187 1.00 0.34 N ATOM 598 CA MET A 37 4.245 -5.159 -5.007 1.00 4.34 C ATOM 599 C MET A 37 5.682 -5.073 -5.523 1.00 23.44 C ATOM 600 O MET A 37 6.073 -4.069 -6.113 1.00 73.24 O ATOM 601 CB MET A 37 4.221 -4.753 -3.527 1.00 12.01 C ATOM 602 CG MET A 37 2.826 -4.666 -2.925 1.00 11.44 C ATOM 603 SD MET A 37 2.057 -6.283 -2.695 1.00 72.12 S ATOM 604 CE MET A 37 3.129 -7.001 -1.448 1.00 63.52 C ATOM 0 H MET A 37 3.242 -6.879 -4.339 1.00 0.34 H new ATOM 0 HA MET A 37 3.635 -4.474 -5.595 1.00 4.34 H new ATOM 0 HB2 MET A 37 4.807 -5.473 -2.955 1.00 12.01 H new ATOM 0 HB3 MET A 37 4.712 -3.786 -3.420 1.00 12.01 H new ATOM 0 HG2 MET A 37 2.882 -4.156 -1.963 1.00 11.44 H new ATOM 0 HG3 MET A 37 2.194 -4.058 -3.572 1.00 11.44 H new ATOM 0 HE1 MET A 37 2.522 -7.446 -0.659 1.00 63.52 H new ATOM 0 HE2 MET A 37 3.753 -7.770 -1.904 1.00 63.52 H new ATOM 0 HE3 MET A 37 3.764 -6.224 -1.022 1.00 63.52 H new ATOM 614 N ARG A 38 6.454 -6.130 -5.310 1.00 33.14 N ATOM 615 CA ARG A 38 7.875 -6.121 -5.649 1.00 15.35 C ATOM 616 C ARG A 38 8.083 -6.043 -7.155 1.00 5.01 C ATOM 617 O ARG A 38 8.910 -5.273 -7.640 1.00 24.32 O ATOM 618 CB ARG A 38 8.552 -7.381 -5.114 1.00 74.33 C ATOM 619 CG ARG A 38 10.032 -7.192 -4.812 1.00 45.10 C ATOM 620 CD ARG A 38 10.676 -8.487 -4.347 1.00 24.24 C ATOM 621 NE ARG A 38 12.011 -8.265 -3.795 1.00 54.04 N ATOM 622 CZ ARG A 38 13.053 -9.074 -4.003 1.00 41.13 C ATOM 623 NH1 ARG A 38 12.941 -10.115 -4.819 1.00 55.10 N ATOM 624 NH2 ARG A 38 14.212 -8.836 -3.402 1.00 22.21 N ATOM 0 H ARG A 38 6.123 -7.005 -4.904 1.00 33.14 H new ATOM 0 HA ARG A 38 8.319 -5.239 -5.189 1.00 15.35 H new ATOM 0 HB2 ARG A 38 8.042 -7.701 -4.205 1.00 74.33 H new ATOM 0 HB3 ARG A 38 8.437 -8.183 -5.843 1.00 74.33 H new ATOM 0 HG2 ARG A 38 10.543 -6.830 -5.704 1.00 45.10 H new ATOM 0 HG3 ARG A 38 10.153 -6.428 -4.044 1.00 45.10 H new ATOM 0 HD2 ARG A 38 10.045 -8.956 -3.592 1.00 24.24 H new ATOM 0 HD3 ARG A 38 10.741 -9.181 -5.185 1.00 24.24 H new ATOM 0 HE ARG A 38 12.156 -7.439 -3.214 1.00 54.04 H new ATOM 0 HH11 ARG A 38 12.056 -10.300 -5.291 1.00 55.10 H new ATOM 0 HH12 ARG A 38 13.740 -10.730 -4.974 1.00 55.10 H new ATOM 0 HH21 ARG A 38 14.308 -8.034 -2.780 1.00 22.21 H new ATOM 0 HH22 ARG A 38 15.006 -9.455 -3.562 1.00 22.21 H new ATOM 638 N LYS A 39 7.330 -6.850 -7.884 1.00 25.00 N ATOM 639 CA LYS A 39 7.503 -6.965 -9.324 1.00 74.12 C ATOM 640 C LYS A 39 6.609 -5.993 -10.092 1.00 34.03 C ATOM 641 O LYS A 39 6.974 -5.529 -11.174 1.00 64.34 O ATOM 642 CB LYS A 39 7.234 -8.409 -9.744 1.00 60.32 C ATOM 643 CG LYS A 39 7.109 -8.612 -11.242 1.00 24.42 C ATOM 644 CD LYS A 39 5.661 -8.822 -11.646 1.00 11.15 C ATOM 645 CE LYS A 39 5.133 -10.161 -11.157 1.00 70.42 C ATOM 646 NZ LYS A 39 5.881 -11.299 -11.752 1.00 40.50 N ATOM 0 H LYS A 39 6.590 -7.438 -7.501 1.00 25.00 H new ATOM 0 HA LYS A 39 8.530 -6.697 -9.572 1.00 74.12 H new ATOM 0 HB2 LYS A 39 8.040 -9.040 -9.370 1.00 60.32 H new ATOM 0 HB3 LYS A 39 6.316 -8.749 -9.265 1.00 60.32 H new ATOM 0 HG2 LYS A 39 7.514 -7.745 -11.765 1.00 24.42 H new ATOM 0 HG3 LYS A 39 7.703 -9.474 -11.546 1.00 24.42 H new ATOM 0 HD2 LYS A 39 5.048 -8.018 -11.238 1.00 11.15 H new ATOM 0 HD3 LYS A 39 5.574 -8.770 -12.731 1.00 11.15 H new ATOM 0 HE2 LYS A 39 5.207 -10.206 -10.070 1.00 70.42 H new ATOM 0 HE3 LYS A 39 4.076 -10.249 -11.409 1.00 70.42 H new ATOM 0 HZ1 LYS A 39 5.324 -12.171 -11.650 1.00 40.50 H new ATOM 0 HZ2 LYS A 39 6.052 -11.113 -12.761 1.00 40.50 H new ATOM 0 HZ3 LYS A 39 6.791 -11.410 -11.262 1.00 40.50 H new ATOM 660 N PHE A 40 5.446 -5.684 -9.533 1.00 41.55 N ATOM 661 CA PHE A 40 4.488 -4.798 -10.192 1.00 0.02 C ATOM 662 C PHE A 40 5.070 -3.395 -10.328 1.00 44.44 C ATOM 663 O PHE A 40 4.689 -2.629 -11.213 1.00 13.13 O ATOM 664 CB PHE A 40 3.175 -4.753 -9.401 1.00 74.53 C ATOM 665 CG PHE A 40 2.049 -4.064 -10.121 1.00 1.51 C ATOM 666 CD1 PHE A 40 1.285 -4.751 -11.053 1.00 60.44 C ATOM 667 CD2 PHE A 40 1.751 -2.732 -9.869 1.00 34.00 C ATOM 668 CE1 PHE A 40 0.249 -4.123 -11.720 1.00 43.41 C ATOM 669 CE2 PHE A 40 0.716 -2.100 -10.532 1.00 5.44 C ATOM 670 CZ PHE A 40 -0.034 -2.796 -11.460 1.00 70.34 C ATOM 0 H PHE A 40 5.141 -6.033 -8.624 1.00 41.55 H new ATOM 0 HA PHE A 40 4.283 -5.188 -11.189 1.00 0.02 H new ATOM 0 HB2 PHE A 40 2.871 -5.772 -9.164 1.00 74.53 H new ATOM 0 HB3 PHE A 40 3.351 -4.244 -8.453 1.00 74.53 H new ATOM 0 HD1 PHE A 40 1.502 -5.789 -11.260 1.00 60.44 H new ATOM 0 HD2 PHE A 40 2.335 -2.183 -9.146 1.00 34.00 H new ATOM 0 HE1 PHE A 40 -0.338 -4.669 -12.443 1.00 43.41 H new ATOM 0 HE2 PHE A 40 0.494 -1.064 -10.325 1.00 5.44 H new ATOM 0 HZ PHE A 40 -0.841 -2.303 -11.982 1.00 70.34 H new ATOM 680 N LYS A 41 6.008 -3.073 -9.454 1.00 51.24 N ATOM 681 CA LYS A 41 6.645 -1.771 -9.486 1.00 21.21 C ATOM 682 C LYS A 41 8.157 -1.940 -9.540 1.00 33.21 C ATOM 683 O LYS A 41 8.827 -2.004 -8.510 1.00 11.42 O ATOM 684 CB LYS A 41 6.244 -0.938 -8.268 1.00 21.21 C ATOM 685 CG LYS A 41 5.959 0.525 -8.590 1.00 43.24 C ATOM 686 CD LYS A 41 4.765 0.662 -9.523 1.00 63.52 C ATOM 687 CE LYS A 41 4.331 2.113 -9.684 1.00 30.51 C ATOM 688 NZ LYS A 41 5.387 2.954 -10.307 1.00 12.33 N ATOM 0 H LYS A 41 6.343 -3.693 -8.717 1.00 51.24 H new ATOM 0 HA LYS A 41 6.313 -1.242 -10.379 1.00 21.21 H new ATOM 0 HB2 LYS A 41 5.357 -1.380 -7.813 1.00 21.21 H new ATOM 0 HB3 LYS A 41 7.041 -0.989 -7.526 1.00 21.21 H new ATOM 0 HG2 LYS A 41 5.767 1.072 -7.667 1.00 43.24 H new ATOM 0 HG3 LYS A 41 6.838 0.976 -9.051 1.00 43.24 H new ATOM 0 HD2 LYS A 41 5.018 0.249 -10.499 1.00 63.52 H new ATOM 0 HD3 LYS A 41 3.932 0.075 -9.135 1.00 63.52 H new ATOM 0 HE2 LYS A 41 3.430 2.154 -10.295 1.00 30.51 H new ATOM 0 HE3 LYS A 41 4.073 2.523 -8.708 1.00 30.51 H new ATOM 0 HZ1 LYS A 41 5.897 3.476 -9.566 1.00 12.33 H new ATOM 0 HZ2 LYS A 41 6.054 2.347 -10.824 1.00 12.33 H new ATOM 0 HZ3 LYS A 41 4.949 3.628 -10.967 1.00 12.33 H new ATOM 702 N GLU A 42 8.681 -2.038 -10.748 1.00 22.51 N ATOM 703 CA GLU A 42 10.103 -2.242 -10.956 1.00 3.02 C ATOM 704 C GLU A 42 10.818 -0.907 -11.130 1.00 61.41 C ATOM 705 O GLU A 42 12.043 -0.855 -11.228 1.00 41.02 O ATOM 706 CB GLU A 42 10.328 -3.132 -12.181 1.00 0.54 C ATOM 707 CG GLU A 42 9.672 -2.610 -13.452 1.00 53.25 C ATOM 708 CD GLU A 42 9.836 -3.558 -14.620 1.00 43.44 C ATOM 709 OE1 GLU A 42 9.062 -4.532 -14.715 1.00 13.02 O ATOM 710 OE2 GLU A 42 10.739 -3.337 -15.454 1.00 43.14 O ATOM 0 H GLU A 42 8.136 -1.979 -11.608 1.00 22.51 H new ATOM 0 HA GLU A 42 10.517 -2.737 -10.078 1.00 3.02 H new ATOM 0 HB2 GLU A 42 11.400 -3.233 -12.352 1.00 0.54 H new ATOM 0 HB3 GLU A 42 9.943 -4.130 -11.969 1.00 0.54 H new ATOM 0 HG2 GLU A 42 8.610 -2.446 -13.268 1.00 53.25 H new ATOM 0 HG3 GLU A 42 10.104 -1.643 -13.709 1.00 53.25 H new ATOM 717 N TYR A 43 10.046 0.169 -11.163 1.00 43.15 N ATOM 718 CA TYR A 43 10.608 1.498 -11.319 1.00 1.51 C ATOM 719 C TYR A 43 10.145 2.403 -10.182 1.00 44.45 C ATOM 720 O TYR A 43 9.508 1.934 -9.237 1.00 11.14 O ATOM 721 CB TYR A 43 10.204 2.085 -12.674 1.00 62.31 C ATOM 722 CG TYR A 43 11.344 2.772 -13.395 1.00 71.14 C ATOM 723 CD1 TYR A 43 12.301 2.029 -14.075 1.00 23.14 C ATOM 724 CD2 TYR A 43 11.472 4.155 -13.389 1.00 45.01 C ATOM 725 CE1 TYR A 43 13.351 2.643 -14.732 1.00 30.13 C ATOM 726 CE2 TYR A 43 12.519 4.779 -14.042 1.00 43.15 C ATOM 727 CZ TYR A 43 13.457 4.018 -14.711 1.00 40.41 C ATOM 728 OH TYR A 43 14.500 4.636 -15.366 1.00 52.22 O ATOM 0 H TYR A 43 9.029 0.146 -11.084 1.00 43.15 H new ATOM 0 HA TYR A 43 11.695 1.428 -11.282 1.00 1.51 H new ATOM 0 HB2 TYR A 43 9.813 1.287 -13.305 1.00 62.31 H new ATOM 0 HB3 TYR A 43 9.395 2.800 -12.525 1.00 62.31 H new ATOM 0 HD1 TYR A 43 12.223 0.952 -14.091 1.00 23.14 H new ATOM 0 HD2 TYR A 43 10.741 4.753 -12.865 1.00 45.01 H new ATOM 0 HE1 TYR A 43 14.084 2.050 -15.259 1.00 30.13 H new ATOM 0 HE2 TYR A 43 12.603 5.856 -14.029 1.00 43.15 H new ATOM 0 HH TYR A 43 14.427 5.607 -15.254 1.00 52.22 H new ATOM 738 N CYS A 44 10.469 3.692 -10.288 1.00 25.32 N ATOM 739 CA CYS A 44 10.135 4.687 -9.269 1.00 31.51 C ATOM 740 C CYS A 44 10.933 4.459 -7.988 1.00 1.45 C ATOM 741 O CYS A 44 10.523 3.705 -7.100 1.00 61.52 O ATOM 742 CB CYS A 44 8.632 4.700 -8.972 1.00 73.24 C ATOM 743 SG CYS A 44 7.607 5.089 -10.407 1.00 42.13 S ATOM 0 H CYS A 44 10.973 4.077 -11.087 1.00 25.32 H new ATOM 0 HA CYS A 44 10.408 5.663 -9.669 1.00 31.51 H new ATOM 0 HB2 CYS A 44 8.340 3.725 -8.583 1.00 73.24 H new ATOM 0 HB3 CYS A 44 8.433 5.429 -8.187 1.00 73.24 H new ATOM 0 HG CYS A 44 6.436 5.489 -10.008 1.00 42.13 H new ATOM 749 N GLU A 45 12.083 5.115 -7.908 1.00 62.41 N ATOM 750 CA GLU A 45 12.960 5.007 -6.750 1.00 64.11 C ATOM 751 C GLU A 45 13.123 6.367 -6.084 1.00 65.33 C ATOM 752 O GLU A 45 12.716 7.387 -6.644 1.00 4.44 O ATOM 753 CB GLU A 45 14.331 4.465 -7.163 1.00 34.55 C ATOM 754 CG GLU A 45 14.947 5.213 -8.334 1.00 71.35 C ATOM 755 CD GLU A 45 16.426 4.944 -8.479 1.00 32.25 C ATOM 756 OE1 GLU A 45 16.806 3.793 -8.765 1.00 63.12 O ATOM 757 OE2 GLU A 45 17.222 5.885 -8.279 1.00 53.01 O ATOM 0 H GLU A 45 12.433 5.734 -8.640 1.00 62.41 H new ATOM 0 HA GLU A 45 12.507 4.314 -6.041 1.00 64.11 H new ATOM 0 HB2 GLU A 45 15.007 4.520 -6.310 1.00 34.55 H new ATOM 0 HB3 GLU A 45 14.233 3.412 -7.425 1.00 34.55 H new ATOM 0 HG2 GLU A 45 14.437 4.925 -9.253 1.00 71.35 H new ATOM 0 HG3 GLU A 45 14.787 6.283 -8.202 1.00 71.35 H new ATOM 764 N GLY A 46 13.718 6.380 -4.896 1.00 32.21 N ATOM 765 CA GLY A 46 13.918 7.623 -4.181 1.00 53.43 C ATOM 766 C GLY A 46 12.606 8.256 -3.780 1.00 42.23 C ATOM 767 O GLY A 46 12.389 9.451 -3.994 1.00 3.15 O ATOM 0 H GLY A 46 14.065 5.549 -4.416 1.00 32.21 H new ATOM 0 HA2 GLY A 46 14.519 7.438 -3.291 1.00 53.43 H new ATOM 0 HA3 GLY A 46 14.480 8.316 -4.807 1.00 53.43 H new ATOM 771 N LEU A 47 11.724 7.450 -3.213 1.00 51.12 N ATOM 772 CA LEU A 47 10.391 7.908 -2.856 1.00 43.32 C ATOM 773 C LEU A 47 10.366 8.369 -1.402 1.00 64.14 C ATOM 774 O LEU A 47 10.545 7.570 -0.482 1.00 24.23 O ATOM 775 CB LEU A 47 9.366 6.788 -3.096 1.00 62.12 C ATOM 776 CG LEU A 47 7.889 7.187 -2.966 1.00 24.45 C ATOM 777 CD1 LEU A 47 7.032 6.334 -3.886 1.00 54.55 C ATOM 778 CD2 LEU A 47 7.405 7.039 -1.530 1.00 52.31 C ATOM 0 H LEU A 47 11.908 6.472 -2.989 1.00 51.12 H new ATOM 0 HA LEU A 47 10.124 8.756 -3.487 1.00 43.32 H new ATOM 0 HB2 LEU A 47 9.526 6.385 -4.096 1.00 62.12 H new ATOM 0 HB3 LEU A 47 9.567 5.981 -2.391 1.00 62.12 H new ATOM 0 HG LEU A 47 7.798 8.234 -3.254 1.00 24.45 H new ATOM 0 HD11 LEU A 47 5.987 6.627 -3.785 1.00 54.55 H new ATOM 0 HD12 LEU A 47 7.351 6.479 -4.918 1.00 54.55 H new ATOM 0 HD13 LEU A 47 7.143 5.284 -3.616 1.00 54.55 H new ATOM 0 HD21 LEU A 47 6.356 7.328 -1.468 1.00 52.31 H new ATOM 0 HD22 LEU A 47 7.514 6.001 -1.214 1.00 52.31 H new ATOM 0 HD23 LEU A 47 7.998 7.681 -0.878 1.00 52.31 H new ATOM 790 N GLN A 48 10.186 9.668 -1.210 1.00 52.21 N ATOM 791 CA GLN A 48 10.059 10.240 0.121 1.00 25.43 C ATOM 792 C GLN A 48 8.591 10.406 0.483 1.00 33.22 C ATOM 793 O GLN A 48 7.706 10.177 -0.344 1.00 43.33 O ATOM 794 CB GLN A 48 10.761 11.600 0.203 1.00 41.03 C ATOM 795 CG GLN A 48 12.274 11.544 0.400 1.00 44.54 C ATOM 796 CD GLN A 48 13.005 10.711 -0.636 1.00 60.34 C ATOM 797 OE1 GLN A 48 13.350 11.198 -1.715 1.00 1.44 O ATOM 798 NE2 GLN A 48 13.282 9.461 -0.299 1.00 22.34 N ATOM 0 H GLN A 48 10.124 10.350 -1.966 1.00 52.21 H new ATOM 0 HA GLN A 48 10.534 9.558 0.826 1.00 25.43 H new ATOM 0 HB2 GLN A 48 10.551 12.154 -0.712 1.00 41.03 H new ATOM 0 HB3 GLN A 48 10.325 12.166 1.026 1.00 41.03 H new ATOM 0 HG2 GLN A 48 12.670 12.559 0.379 1.00 44.54 H new ATOM 0 HG3 GLN A 48 12.486 11.140 1.390 1.00 44.54 H new ATOM 0 HE21 GLN A 48 12.978 9.097 0.604 1.00 22.34 H new ATOM 0 HE22 GLN A 48 13.799 8.862 -0.942 1.00 22.34 H new ATOM 807 N PHE A 49 8.350 10.846 1.708 1.00 4.33 N ATOM 808 CA PHE A 49 6.998 10.993 2.243 1.00 55.11 C ATOM 809 C PHE A 49 6.142 11.928 1.395 1.00 52.02 C ATOM 810 O PHE A 49 4.938 11.730 1.265 1.00 43.33 O ATOM 811 CB PHE A 49 7.059 11.497 3.687 1.00 30.54 C ATOM 812 CG PHE A 49 7.743 12.824 3.864 1.00 51.54 C ATOM 813 CD1 PHE A 49 9.123 12.898 3.980 1.00 34.30 C ATOM 814 CD2 PHE A 49 7.006 13.996 3.930 1.00 23.34 C ATOM 815 CE1 PHE A 49 9.754 14.113 4.153 1.00 61.13 C ATOM 816 CE2 PHE A 49 7.632 15.215 4.101 1.00 11.22 C ATOM 817 CZ PHE A 49 9.008 15.274 4.214 1.00 0.41 C ATOM 0 H PHE A 49 9.085 11.113 2.363 1.00 4.33 H new ATOM 0 HA PHE A 49 6.527 10.010 2.218 1.00 55.11 H new ATOM 0 HB2 PHE A 49 6.043 11.574 4.073 1.00 30.54 H new ATOM 0 HB3 PHE A 49 7.576 10.754 4.295 1.00 30.54 H new ATOM 0 HD1 PHE A 49 9.711 11.993 3.934 1.00 34.30 H new ATOM 0 HD2 PHE A 49 5.930 13.955 3.847 1.00 23.34 H new ATOM 0 HE1 PHE A 49 10.830 14.156 4.241 1.00 61.13 H new ATOM 0 HE2 PHE A 49 7.047 16.121 4.146 1.00 11.22 H new ATOM 0 HZ PHE A 49 9.499 16.226 4.350 1.00 0.41 H new ATOM 827 N HIS A 50 6.771 12.936 0.810 1.00 53.21 N ATOM 828 CA HIS A 50 6.047 13.930 0.012 1.00 21.14 C ATOM 829 C HIS A 50 5.461 13.329 -1.271 1.00 14.13 C ATOM 830 O HIS A 50 4.682 13.981 -1.963 1.00 24.42 O ATOM 831 CB HIS A 50 6.933 15.147 -0.313 1.00 74.12 C ATOM 832 CG HIS A 50 8.127 14.861 -1.181 1.00 0.13 C ATOM 833 ND1 HIS A 50 9.427 14.957 -0.729 1.00 71.42 N ATOM 834 CD2 HIS A 50 8.215 14.510 -2.488 1.00 34.44 C ATOM 835 CE1 HIS A 50 10.258 14.675 -1.716 1.00 33.05 C ATOM 836 NE2 HIS A 50 9.548 14.401 -2.791 1.00 32.32 N ATOM 0 H HIS A 50 7.777 13.092 0.869 1.00 53.21 H new ATOM 0 HA HIS A 50 5.212 14.270 0.624 1.00 21.14 H new ATOM 0 HB2 HIS A 50 6.319 15.901 -0.806 1.00 74.12 H new ATOM 0 HB3 HIS A 50 7.282 15.582 0.624 1.00 74.12 H new ATOM 0 HD2 HIS A 50 7.389 14.347 -3.164 1.00 34.44 H new ATOM 0 HE1 HIS A 50 11.336 14.670 -1.652 1.00 33.05 H new ATOM 0 HE2 HIS A 50 9.929 14.148 -3.703 1.00 32.32 H new ATOM 845 N GLU A 51 5.838 12.095 -1.592 1.00 73.33 N ATOM 846 CA GLU A 51 5.294 11.419 -2.767 1.00 53.23 C ATOM 847 C GLU A 51 4.035 10.637 -2.409 1.00 30.12 C ATOM 848 O GLU A 51 3.193 10.365 -3.268 1.00 60.41 O ATOM 849 CB GLU A 51 6.327 10.473 -3.383 1.00 42.32 C ATOM 850 CG GLU A 51 7.484 11.178 -4.069 1.00 22.22 C ATOM 851 CD GLU A 51 7.027 12.108 -5.176 1.00 25.53 C ATOM 852 OE1 GLU A 51 6.085 11.747 -5.917 1.00 44.22 O ATOM 853 OE2 GLU A 51 7.613 13.200 -5.314 1.00 73.43 O ATOM 0 H GLU A 51 6.513 11.545 -1.060 1.00 73.33 H new ATOM 0 HA GLU A 51 5.039 12.186 -3.498 1.00 53.23 H new ATOM 0 HB2 GLU A 51 6.723 9.826 -2.600 1.00 42.32 H new ATOM 0 HB3 GLU A 51 5.828 9.829 -4.107 1.00 42.32 H new ATOM 0 HG2 GLU A 51 8.047 11.748 -3.330 1.00 22.22 H new ATOM 0 HG3 GLU A 51 8.164 10.434 -4.483 1.00 22.22 H new ATOM 860 N LEU A 52 3.907 10.282 -1.139 1.00 62.22 N ATOM 861 CA LEU A 52 2.785 9.482 -0.685 1.00 31.25 C ATOM 862 C LEU A 52 1.732 10.381 -0.051 1.00 41.11 C ATOM 863 O LEU A 52 1.777 10.674 1.142 1.00 21.13 O ATOM 864 CB LEU A 52 3.258 8.412 0.309 1.00 42.23 C ATOM 865 CG LEU A 52 2.435 7.116 0.344 1.00 14.31 C ATOM 866 CD1 LEU A 52 1.007 7.375 0.805 1.00 31.31 C ATOM 867 CD2 LEU A 52 2.448 6.447 -1.023 1.00 21.12 C ATOM 0 H LEU A 52 4.569 10.537 -0.406 1.00 62.22 H new ATOM 0 HA LEU A 52 2.340 8.975 -1.541 1.00 31.25 H new ATOM 0 HB2 LEU A 52 4.291 8.157 0.073 1.00 42.23 H new ATOM 0 HB3 LEU A 52 3.257 8.847 1.308 1.00 42.23 H new ATOM 0 HG LEU A 52 2.895 6.443 1.068 1.00 14.31 H new ATOM 0 HD11 LEU A 52 0.453 6.436 0.818 1.00 31.31 H new ATOM 0 HD12 LEU A 52 1.020 7.802 1.808 1.00 31.31 H new ATOM 0 HD13 LEU A 52 0.524 8.072 0.120 1.00 31.31 H new ATOM 0 HD21 LEU A 52 1.861 5.529 -0.985 1.00 21.12 H new ATOM 0 HD22 LEU A 52 2.018 7.122 -1.763 1.00 21.12 H new ATOM 0 HD23 LEU A 52 3.475 6.210 -1.302 1.00 21.12 H new ATOM 879 N THR A 53 0.803 10.838 -0.867 1.00 22.25 N ATOM 880 CA THR A 53 -0.263 11.702 -0.400 1.00 3.43 C ATOM 881 C THR A 53 -1.617 11.131 -0.800 1.00 2.24 C ATOM 882 O THR A 53 -1.684 10.123 -1.507 1.00 54.10 O ATOM 883 CB THR A 53 -0.116 13.115 -0.992 1.00 50.21 C ATOM 884 OG1 THR A 53 -0.013 13.024 -2.422 1.00 12.41 O ATOM 885 CG2 THR A 53 1.106 13.824 -0.425 1.00 65.43 C ATOM 0 H THR A 53 0.765 10.624 -1.863 1.00 22.25 H new ATOM 0 HA THR A 53 -0.198 11.761 0.686 1.00 3.43 H new ATOM 0 HB THR A 53 -0.997 13.698 -0.723 1.00 50.21 H new ATOM 0 HG1 THR A 53 0.079 13.923 -2.801 1.00 12.41 H new ATOM 0 HG21 THR A 53 1.184 14.820 -0.861 1.00 65.43 H new ATOM 0 HG22 THR A 53 1.008 13.909 0.657 1.00 65.43 H new ATOM 0 HG23 THR A 53 2.002 13.252 -0.664 1.00 65.43 H new ATOM 893 N GLU A 54 -2.693 11.769 -0.352 1.00 31.24 N ATOM 894 CA GLU A 54 -4.039 11.391 -0.776 1.00 65.23 C ATOM 895 C GLU A 54 -4.149 11.525 -2.291 1.00 71.41 C ATOM 896 O GLU A 54 -4.807 10.722 -2.950 1.00 22.11 O ATOM 897 CB GLU A 54 -5.077 12.270 -0.060 1.00 1.42 C ATOM 898 CG GLU A 54 -6.513 12.108 -0.547 1.00 71.41 C ATOM 899 CD GLU A 54 -6.820 12.940 -1.781 1.00 61.34 C ATOM 900 OE1 GLU A 54 -6.376 14.105 -1.839 1.00 15.14 O ATOM 901 OE2 GLU A 54 -7.496 12.436 -2.699 1.00 5.15 O ATOM 0 H GLU A 54 -2.661 12.550 0.304 1.00 31.24 H new ATOM 0 HA GLU A 54 -4.236 10.353 -0.508 1.00 65.23 H new ATOM 0 HB2 GLU A 54 -5.045 12.047 1.006 1.00 1.42 H new ATOM 0 HB3 GLU A 54 -4.787 13.314 -0.176 1.00 1.42 H new ATOM 0 HG2 GLU A 54 -6.699 11.057 -0.769 1.00 71.41 H new ATOM 0 HG3 GLU A 54 -7.196 12.390 0.254 1.00 71.41 H new ATOM 908 N ASP A 55 -3.468 12.535 -2.827 1.00 71.42 N ATOM 909 CA ASP A 55 -3.446 12.787 -4.265 1.00 43.30 C ATOM 910 C ASP A 55 -2.928 11.558 -5.004 1.00 51.04 C ATOM 911 O ASP A 55 -3.486 11.145 -6.020 1.00 35.22 O ATOM 912 CB ASP A 55 -2.553 13.989 -4.568 1.00 14.13 C ATOM 913 CG ASP A 55 -2.944 14.716 -5.840 1.00 63.55 C ATOM 914 OD1 ASP A 55 -2.839 14.129 -6.936 1.00 23.04 O ATOM 915 OD2 ASP A 55 -3.360 15.891 -5.743 1.00 13.22 O ATOM 0 H ASP A 55 -2.919 13.198 -2.280 1.00 71.42 H new ATOM 0 HA ASP A 55 -4.460 13.001 -4.602 1.00 43.30 H new ATOM 0 HB2 ASP A 55 -2.596 14.686 -3.731 1.00 14.13 H new ATOM 0 HB3 ASP A 55 -1.519 13.654 -4.651 1.00 14.13 H new ATOM 920 N PHE A 56 -1.866 10.966 -4.463 1.00 12.42 N ATOM 921 CA PHE A 56 -1.276 9.757 -5.030 1.00 73.21 C ATOM 922 C PHE A 56 -2.273 8.600 -4.996 1.00 15.13 C ATOM 923 O PHE A 56 -2.458 7.903 -5.992 1.00 64.15 O ATOM 924 CB PHE A 56 -0.002 9.382 -4.264 1.00 62.14 C ATOM 925 CG PHE A 56 0.649 8.109 -4.733 1.00 32.54 C ATOM 926 CD1 PHE A 56 1.482 8.108 -5.840 1.00 23.23 C ATOM 927 CD2 PHE A 56 0.430 6.913 -4.064 1.00 71.14 C ATOM 928 CE1 PHE A 56 2.083 6.940 -6.272 1.00 5.44 C ATOM 929 CE2 PHE A 56 1.028 5.743 -4.493 1.00 1.13 C ATOM 930 CZ PHE A 56 1.856 5.757 -5.599 1.00 75.52 C ATOM 0 H PHE A 56 -1.394 11.308 -3.626 1.00 12.42 H new ATOM 0 HA PHE A 56 -1.018 9.956 -6.070 1.00 73.21 H new ATOM 0 HB2 PHE A 56 0.715 10.198 -4.353 1.00 62.14 H new ATOM 0 HB3 PHE A 56 -0.244 9.285 -3.206 1.00 62.14 H new ATOM 0 HD1 PHE A 56 1.664 9.030 -6.372 1.00 23.23 H new ATOM 0 HD2 PHE A 56 -0.215 6.896 -3.198 1.00 71.14 H new ATOM 0 HE1 PHE A 56 2.730 6.954 -7.136 1.00 5.44 H new ATOM 0 HE2 PHE A 56 0.848 4.819 -3.964 1.00 1.13 H new ATOM 0 HZ PHE A 56 2.324 4.844 -5.936 1.00 75.52 H new ATOM 940 N LEU A 57 -2.912 8.402 -3.848 1.00 53.34 N ATOM 941 CA LEU A 57 -3.915 7.356 -3.699 1.00 43.43 C ATOM 942 C LEU A 57 -5.062 7.569 -4.682 1.00 45.23 C ATOM 943 O LEU A 57 -5.543 6.624 -5.310 1.00 22.34 O ATOM 944 CB LEU A 57 -4.452 7.337 -2.265 1.00 32.34 C ATOM 945 CG LEU A 57 -3.606 6.573 -1.235 1.00 33.32 C ATOM 946 CD1 LEU A 57 -3.614 5.084 -1.532 1.00 24.21 C ATOM 947 CD2 LEU A 57 -2.175 7.089 -1.192 1.00 34.33 C ATOM 0 H LEU A 57 -2.752 8.954 -3.006 1.00 53.34 H new ATOM 0 HA LEU A 57 -3.445 6.396 -3.914 1.00 43.43 H new ATOM 0 HB2 LEU A 57 -4.558 8.367 -1.925 1.00 32.34 H new ATOM 0 HB3 LEU A 57 -5.451 6.901 -2.279 1.00 32.34 H new ATOM 0 HG LEU A 57 -4.055 6.742 -0.256 1.00 33.32 H new ATOM 0 HD11 LEU A 57 -3.009 4.562 -0.791 1.00 24.21 H new ATOM 0 HD12 LEU A 57 -4.637 4.711 -1.493 1.00 24.21 H new ATOM 0 HD13 LEU A 57 -3.201 4.909 -2.526 1.00 24.21 H new ATOM 0 HD21 LEU A 57 -1.607 6.525 -0.452 1.00 34.33 H new ATOM 0 HD22 LEU A 57 -1.715 6.968 -2.173 1.00 34.33 H new ATOM 0 HD23 LEU A 57 -2.177 8.145 -0.920 1.00 34.33 H new ATOM 959 N ARG A 58 -5.488 8.822 -4.808 1.00 51.24 N ATOM 960 CA ARG A 58 -6.534 9.203 -5.730 1.00 53.52 C ATOM 961 C ARG A 58 -6.120 8.904 -7.167 1.00 53.22 C ATOM 962 O ARG A 58 -6.876 8.307 -7.934 1.00 32.53 O ATOM 963 CB ARG A 58 -6.791 10.691 -5.571 1.00 51.22 C ATOM 964 CG ARG A 58 -7.973 11.200 -6.353 1.00 55.12 C ATOM 965 CD ARG A 58 -7.877 12.695 -6.533 1.00 14.34 C ATOM 966 NE ARG A 58 -7.615 13.402 -5.281 1.00 1.43 N ATOM 967 CZ ARG A 58 -7.567 14.730 -5.179 1.00 45.41 C ATOM 968 NH1 ARG A 58 -7.756 15.488 -6.254 1.00 52.15 N ATOM 969 NH2 ARG A 58 -7.313 15.299 -4.010 1.00 12.23 N ATOM 0 H ARG A 58 -5.111 9.600 -4.267 1.00 51.24 H new ATOM 0 HA ARG A 58 -7.437 8.634 -5.512 1.00 53.52 H new ATOM 0 HB2 ARG A 58 -6.946 10.911 -4.515 1.00 51.22 H new ATOM 0 HB3 ARG A 58 -5.901 11.237 -5.883 1.00 51.22 H new ATOM 0 HG2 ARG A 58 -8.011 10.711 -7.327 1.00 55.12 H new ATOM 0 HG3 ARG A 58 -8.897 10.948 -5.833 1.00 55.12 H new ATOM 0 HD2 ARG A 58 -7.083 12.920 -7.245 1.00 14.34 H new ATOM 0 HD3 ARG A 58 -8.807 13.064 -6.966 1.00 14.34 H new ATOM 0 HE ARG A 58 -7.460 12.848 -4.438 1.00 1.43 H new ATOM 0 HH11 ARG A 58 -7.938 15.054 -7.159 1.00 52.15 H new ATOM 0 HH12 ARG A 58 -7.719 16.504 -6.174 1.00 52.15 H new ATOM 0 HH21 ARG A 58 -7.154 14.721 -3.185 1.00 12.23 H new ATOM 0 HH22 ARG A 58 -7.277 16.316 -3.935 1.00 12.23 H new ATOM 983 N ASP A 59 -4.915 9.330 -7.519 1.00 14.54 N ATOM 984 CA ASP A 59 -4.377 9.131 -8.859 1.00 72.01 C ATOM 985 C ASP A 59 -4.243 7.650 -9.184 1.00 70.41 C ATOM 986 O ASP A 59 -4.563 7.216 -10.289 1.00 70.30 O ATOM 987 CB ASP A 59 -3.017 9.817 -8.977 1.00 42.40 C ATOM 988 CG ASP A 59 -2.352 9.589 -10.319 1.00 74.34 C ATOM 989 OD1 ASP A 59 -2.931 9.987 -11.352 1.00 0.13 O ATOM 990 OD2 ASP A 59 -1.230 9.039 -10.343 1.00 53.42 O ATOM 0 H ASP A 59 -4.284 9.822 -6.886 1.00 14.54 H new ATOM 0 HA ASP A 59 -5.071 9.572 -9.575 1.00 72.01 H new ATOM 0 HB2 ASP A 59 -3.142 10.888 -8.817 1.00 42.40 H new ATOM 0 HB3 ASP A 59 -2.362 9.451 -8.186 1.00 42.40 H new ATOM 995 N TYR A 60 -3.784 6.881 -8.207 1.00 64.04 N ATOM 996 CA TYR A 60 -3.623 5.445 -8.373 1.00 74.33 C ATOM 997 C TYR A 60 -4.988 4.787 -8.558 1.00 31.25 C ATOM 998 O TYR A 60 -5.130 3.832 -9.319 1.00 21.35 O ATOM 999 CB TYR A 60 -2.906 4.847 -7.162 1.00 53.01 C ATOM 1000 CG TYR A 60 -2.056 3.639 -7.491 1.00 43.55 C ATOM 1001 CD1 TYR A 60 -2.626 2.388 -7.689 1.00 4.13 C ATOM 1002 CD2 TYR A 60 -0.677 3.757 -7.605 1.00 25.25 C ATOM 1003 CE1 TYR A 60 -1.846 1.287 -7.991 1.00 31.33 C ATOM 1004 CE2 TYR A 60 0.110 2.664 -7.906 1.00 25.02 C ATOM 1005 CZ TYR A 60 -0.478 1.431 -8.099 1.00 33.22 C ATOM 1006 OH TYR A 60 0.308 0.340 -8.394 1.00 52.41 O ATOM 0 H TYR A 60 -3.516 7.230 -7.287 1.00 64.04 H new ATOM 0 HA TYR A 60 -3.017 5.258 -9.260 1.00 74.33 H new ATOM 0 HB2 TYR A 60 -2.274 5.612 -6.711 1.00 53.01 H new ATOM 0 HB3 TYR A 60 -3.648 4.565 -6.415 1.00 53.01 H new ATOM 0 HD1 TYR A 60 -3.697 2.273 -7.606 1.00 4.13 H new ATOM 0 HD2 TYR A 60 -0.213 4.721 -7.456 1.00 25.25 H new ATOM 0 HE1 TYR A 60 -2.304 0.321 -8.141 1.00 31.33 H new ATOM 0 HE2 TYR A 60 1.181 2.773 -7.990 1.00 25.02 H new ATOM 0 HH TYR A 60 1.248 0.615 -8.434 1.00 52.41 H new ATOM 1016 N LEU A 61 -5.989 5.312 -7.856 1.00 23.33 N ATOM 1017 CA LEU A 61 -7.367 4.851 -8.006 1.00 24.14 C ATOM 1018 C LEU A 61 -7.861 5.096 -9.427 1.00 31.15 C ATOM 1019 O LEU A 61 -8.425 4.205 -10.066 1.00 53.54 O ATOM 1020 CB LEU A 61 -8.269 5.580 -7.011 1.00 41.22 C ATOM 1021 CG LEU A 61 -9.775 5.348 -7.178 1.00 42.25 C ATOM 1022 CD1 LEU A 61 -10.135 3.896 -6.917 1.00 62.22 C ATOM 1023 CD2 LEU A 61 -10.556 6.266 -6.252 1.00 32.43 C ATOM 0 H LEU A 61 -5.871 6.061 -7.174 1.00 23.33 H new ATOM 0 HA LEU A 61 -7.400 3.780 -7.806 1.00 24.14 H new ATOM 0 HB2 LEU A 61 -7.984 5.278 -6.003 1.00 41.22 H new ATOM 0 HB3 LEU A 61 -8.075 6.650 -7.090 1.00 41.22 H new ATOM 0 HG LEU A 61 -10.043 5.581 -8.209 1.00 42.25 H new ATOM 0 HD11 LEU A 61 -11.209 3.759 -7.042 1.00 62.22 H new ATOM 0 HD12 LEU A 61 -9.603 3.257 -7.622 1.00 62.22 H new ATOM 0 HD13 LEU A 61 -9.851 3.628 -5.899 1.00 62.22 H new ATOM 0 HD21 LEU A 61 -11.624 6.090 -6.381 1.00 32.43 H new ATOM 0 HD22 LEU A 61 -10.277 6.062 -5.218 1.00 32.43 H new ATOM 0 HD23 LEU A 61 -10.328 7.304 -6.492 1.00 32.43 H new ATOM 1035 N ILE A 62 -7.647 6.313 -9.905 1.00 35.14 N ATOM 1036 CA ILE A 62 -8.011 6.683 -11.271 1.00 1.51 C ATOM 1037 C ILE A 62 -7.267 5.810 -12.279 1.00 50.15 C ATOM 1038 O ILE A 62 -7.870 5.261 -13.200 1.00 31.04 O ATOM 1039 CB ILE A 62 -7.713 8.174 -11.552 1.00 61.34 C ATOM 1040 CG1 ILE A 62 -8.494 9.060 -10.578 1.00 63.00 C ATOM 1041 CG2 ILE A 62 -8.064 8.530 -12.994 1.00 13.53 C ATOM 1042 CD1 ILE A 62 -8.172 10.533 -10.703 1.00 53.35 C ATOM 0 H ILE A 62 -7.221 7.067 -9.366 1.00 35.14 H new ATOM 0 HA ILE A 62 -9.084 6.522 -11.378 1.00 1.51 H new ATOM 0 HB ILE A 62 -6.647 8.348 -11.407 1.00 61.34 H new ATOM 0 HG12 ILE A 62 -9.561 8.915 -10.745 1.00 63.00 H new ATOM 0 HG13 ILE A 62 -8.284 8.737 -9.558 1.00 63.00 H new ATOM 0 HG21 ILE A 62 -7.847 9.583 -13.172 1.00 13.53 H new ATOM 0 HG22 ILE A 62 -7.472 7.918 -13.674 1.00 13.53 H new ATOM 0 HG23 ILE A 62 -9.124 8.344 -13.167 1.00 13.53 H new ATOM 0 HD11 ILE A 62 -8.763 11.097 -9.982 1.00 53.35 H new ATOM 0 HD12 ILE A 62 -7.112 10.692 -10.506 1.00 53.35 H new ATOM 0 HD13 ILE A 62 -8.409 10.873 -11.711 1.00 53.35 H new ATOM 1054 N TYR A 63 -5.959 5.675 -12.078 1.00 33.34 N ATOM 1055 CA TYR A 63 -5.123 4.830 -12.924 1.00 22.32 C ATOM 1056 C TYR A 63 -5.645 3.395 -12.930 1.00 32.05 C ATOM 1057 O TYR A 63 -5.667 2.729 -13.967 1.00 43.21 O ATOM 1058 CB TYR A 63 -3.679 4.863 -12.414 1.00 51.22 C ATOM 1059 CG TYR A 63 -2.688 4.104 -13.271 1.00 63.11 C ATOM 1060 CD1 TYR A 63 -2.082 4.711 -14.365 1.00 72.35 C ATOM 1061 CD2 TYR A 63 -2.345 2.787 -12.979 1.00 72.32 C ATOM 1062 CE1 TYR A 63 -1.165 4.029 -15.140 1.00 40.43 C ATOM 1063 CE2 TYR A 63 -1.424 2.102 -13.749 1.00 15.44 C ATOM 1064 CZ TYR A 63 -0.840 2.727 -14.829 1.00 53.21 C ATOM 1065 OH TYR A 63 0.089 2.056 -15.591 1.00 3.25 O ATOM 0 H TYR A 63 -5.452 6.145 -11.329 1.00 33.34 H new ATOM 0 HA TYR A 63 -5.154 5.211 -13.945 1.00 22.32 H new ATOM 0 HB2 TYR A 63 -3.357 5.902 -12.343 1.00 51.22 H new ATOM 0 HB3 TYR A 63 -3.655 4.452 -11.405 1.00 51.22 H new ATOM 0 HD1 TYR A 63 -2.332 5.732 -14.613 1.00 72.35 H new ATOM 0 HD2 TYR A 63 -2.806 2.292 -12.137 1.00 72.32 H new ATOM 0 HE1 TYR A 63 -0.704 4.515 -15.987 1.00 40.43 H new ATOM 0 HE2 TYR A 63 -1.164 1.083 -13.505 1.00 15.44 H new ATOM 0 HH TYR A 63 0.206 1.149 -15.240 1.00 3.25 H new ATOM 1075 N MET A 64 -6.079 2.935 -11.762 1.00 1.12 N ATOM 1076 CA MET A 64 -6.609 1.587 -11.607 1.00 61.01 C ATOM 1077 C MET A 64 -7.895 1.418 -12.403 1.00 0.42 C ATOM 1078 O MET A 64 -7.980 0.575 -13.285 1.00 32.23 O ATOM 1079 CB MET A 64 -6.899 1.309 -10.130 1.00 61.11 C ATOM 1080 CG MET A 64 -7.181 -0.150 -9.815 1.00 55.14 C ATOM 1081 SD MET A 64 -5.722 -1.008 -9.198 1.00 22.12 S ATOM 1082 CE MET A 64 -5.308 0.033 -7.801 1.00 30.25 C ATOM 0 H MET A 64 -6.073 3.483 -10.901 1.00 1.12 H new ATOM 0 HA MET A 64 -5.864 0.884 -11.980 1.00 61.01 H new ATOM 0 HB2 MET A 64 -6.047 1.639 -9.536 1.00 61.11 H new ATOM 0 HB3 MET A 64 -7.755 1.908 -9.820 1.00 61.11 H new ATOM 0 HG2 MET A 64 -7.978 -0.212 -9.074 1.00 55.14 H new ATOM 0 HG3 MET A 64 -7.542 -0.651 -10.713 1.00 55.14 H new ATOM 0 HE1 MET A 64 -4.452 0.658 -8.054 1.00 30.25 H new ATOM 0 HE2 MET A 64 -6.160 0.667 -7.555 1.00 30.25 H new ATOM 0 HE3 MET A 64 -5.060 -0.591 -6.943 1.00 30.25 H new ATOM 1092 N LYS A 65 -8.869 2.268 -12.114 1.00 2.02 N ATOM 1093 CA LYS A 65 -10.204 2.146 -12.688 1.00 55.55 C ATOM 1094 C LYS A 65 -10.167 2.365 -14.201 1.00 33.54 C ATOM 1095 O LYS A 65 -10.861 1.685 -14.962 1.00 24.05 O ATOM 1096 CB LYS A 65 -11.133 3.159 -12.006 1.00 52.11 C ATOM 1097 CG LYS A 65 -12.616 2.815 -12.077 1.00 42.02 C ATOM 1098 CD LYS A 65 -13.242 3.218 -13.403 1.00 33.03 C ATOM 1099 CE LYS A 65 -14.712 2.833 -13.455 1.00 63.54 C ATOM 1100 NZ LYS A 65 -15.367 3.293 -14.708 1.00 34.44 N ATOM 0 H LYS A 65 -8.759 3.058 -11.479 1.00 2.02 H new ATOM 0 HA LYS A 65 -10.583 1.139 -12.516 1.00 55.55 H new ATOM 0 HB2 LYS A 65 -10.845 3.247 -10.959 1.00 52.11 H new ATOM 0 HB3 LYS A 65 -10.979 4.137 -12.463 1.00 52.11 H new ATOM 0 HG2 LYS A 65 -12.745 1.743 -11.928 1.00 42.02 H new ATOM 0 HG3 LYS A 65 -13.141 3.315 -11.263 1.00 42.02 H new ATOM 0 HD2 LYS A 65 -13.140 4.294 -13.545 1.00 33.03 H new ATOM 0 HD3 LYS A 65 -12.708 2.736 -14.222 1.00 33.03 H new ATOM 0 HE2 LYS A 65 -14.806 1.750 -13.374 1.00 63.54 H new ATOM 0 HE3 LYS A 65 -15.229 3.263 -12.597 1.00 63.54 H new ATOM 0 HZ1 LYS A 65 -16.368 3.009 -14.701 1.00 34.44 H new ATOM 0 HZ2 LYS A 65 -15.301 4.329 -14.774 1.00 34.44 H new ATOM 0 HZ3 LYS A 65 -14.891 2.863 -15.527 1.00 34.44 H new ATOM 1114 N LYS A 66 -9.337 3.302 -14.627 1.00 43.40 N ATOM 1115 CA LYS A 66 -9.219 3.653 -16.033 1.00 65.41 C ATOM 1116 C LYS A 66 -8.371 2.631 -16.791 1.00 62.30 C ATOM 1117 O LYS A 66 -8.864 1.942 -17.684 1.00 3.40 O ATOM 1118 CB LYS A 66 -8.602 5.047 -16.147 1.00 40.21 C ATOM 1119 CG LYS A 66 -8.277 5.495 -17.561 1.00 3.10 C ATOM 1120 CD LYS A 66 -7.587 6.848 -17.539 1.00 64.43 C ATOM 1121 CE LYS A 66 -7.038 7.235 -18.902 1.00 61.12 C ATOM 1122 NZ LYS A 66 -6.255 8.499 -18.835 1.00 34.34 N ATOM 0 H LYS A 66 -8.728 3.840 -14.011 1.00 43.40 H new ATOM 0 HA LYS A 66 -10.212 3.651 -16.482 1.00 65.41 H new ATOM 0 HB2 LYS A 66 -9.288 5.768 -15.703 1.00 40.21 H new ATOM 0 HB3 LYS A 66 -7.687 5.072 -15.555 1.00 40.21 H new ATOM 0 HG2 LYS A 66 -7.634 4.759 -18.044 1.00 3.10 H new ATOM 0 HG3 LYS A 66 -9.192 5.555 -18.150 1.00 3.10 H new ATOM 0 HD2 LYS A 66 -8.293 7.608 -17.204 1.00 64.43 H new ATOM 0 HD3 LYS A 66 -6.773 6.827 -16.814 1.00 64.43 H new ATOM 0 HE2 LYS A 66 -6.405 6.433 -19.282 1.00 61.12 H new ATOM 0 HE3 LYS A 66 -7.861 7.352 -19.607 1.00 61.12 H new ATOM 0 HZ1 LYS A 66 -5.895 8.735 -19.782 1.00 34.34 H new ATOM 0 HZ2 LYS A 66 -6.867 9.269 -18.496 1.00 34.34 H new ATOM 0 HZ3 LYS A 66 -5.456 8.378 -18.181 1.00 34.34 H new ATOM 1136 N THR A 67 -7.107 2.529 -16.417 1.00 3.04 N ATOM 1137 CA THR A 67 -6.152 1.706 -17.147 1.00 4.42 C ATOM 1138 C THR A 67 -6.264 0.223 -16.794 1.00 51.21 C ATOM 1139 O THR A 67 -6.290 -0.630 -17.682 1.00 25.43 O ATOM 1140 CB THR A 67 -4.716 2.197 -16.887 1.00 41.23 C ATOM 1141 OG1 THR A 67 -4.627 3.587 -17.227 1.00 22.22 O ATOM 1142 CG2 THR A 67 -3.696 1.406 -17.698 1.00 20.13 C ATOM 0 H THR A 67 -6.714 3.009 -15.607 1.00 3.04 H new ATOM 0 HA THR A 67 -6.391 1.807 -18.206 1.00 4.42 H new ATOM 0 HB THR A 67 -4.489 2.049 -15.831 1.00 41.23 H new ATOM 0 HG1 THR A 67 -3.715 3.906 -17.062 1.00 22.22 H new ATOM 0 HG21 THR A 67 -2.694 1.781 -17.488 1.00 20.13 H new ATOM 0 HG22 THR A 67 -3.753 0.352 -17.426 1.00 20.13 H new ATOM 0 HG23 THR A 67 -3.910 1.518 -18.761 1.00 20.13 H new ATOM 1150 N LEU A 68 -6.348 -0.085 -15.507 1.00 35.25 N ATOM 1151 CA LEU A 68 -6.277 -1.472 -15.052 1.00 51.53 C ATOM 1152 C LEU A 68 -7.665 -2.089 -14.899 1.00 52.34 C ATOM 1153 O LEU A 68 -7.788 -3.224 -14.433 1.00 41.44 O ATOM 1154 CB LEU A 68 -5.525 -1.557 -13.721 1.00 54.33 C ATOM 1155 CG LEU A 68 -4.114 -0.962 -13.731 1.00 14.23 C ATOM 1156 CD1 LEU A 68 -3.500 -1.014 -12.340 1.00 73.15 C ATOM 1157 CD2 LEU A 68 -3.234 -1.697 -14.730 1.00 30.43 C ATOM 0 H LEU A 68 -6.465 0.601 -14.761 1.00 35.25 H new ATOM 0 HA LEU A 68 -5.738 -2.037 -15.812 1.00 51.53 H new ATOM 0 HB2 LEU A 68 -6.112 -1.047 -12.957 1.00 54.33 H new ATOM 0 HB3 LEU A 68 -5.459 -2.604 -13.426 1.00 54.33 H new ATOM 0 HG LEU A 68 -4.184 0.082 -14.035 1.00 14.23 H new ATOM 0 HD11 LEU A 68 -2.498 -0.587 -12.369 1.00 73.15 H new ATOM 0 HD12 LEU A 68 -4.119 -0.443 -11.648 1.00 73.15 H new ATOM 0 HD13 LEU A 68 -3.443 -2.050 -12.006 1.00 73.15 H new ATOM 0 HD21 LEU A 68 -2.235 -1.261 -14.724 1.00 30.43 H new ATOM 0 HD22 LEU A 68 -3.172 -2.750 -14.455 1.00 30.43 H new ATOM 0 HD23 LEU A 68 -3.663 -1.607 -15.728 1.00 30.43 H new ATOM 1169 N CYS A 69 -8.699 -1.336 -15.286 1.00 45.15 N ATOM 1170 CA CYS A 69 -10.086 -1.800 -15.197 1.00 65.40 C ATOM 1171 C CYS A 69 -10.504 -1.942 -13.727 1.00 62.30 C ATOM 1172 O CYS A 69 -9.839 -1.410 -12.837 1.00 65.24 O ATOM 1173 CB CYS A 69 -10.246 -3.131 -15.956 1.00 55.33 C ATOM 1174 SG CYS A 69 -11.957 -3.659 -16.235 1.00 33.22 S ATOM 0 H CYS A 69 -8.599 -0.395 -15.667 1.00 45.15 H new ATOM 0 HA CYS A 69 -10.742 -1.064 -15.662 1.00 65.40 H new ATOM 0 HB2 CYS A 69 -9.748 -3.042 -16.921 1.00 55.33 H new ATOM 0 HB3 CYS A 69 -9.727 -3.912 -15.400 1.00 55.33 H new ATOM 0 HG CYS A 69 -12.303 -4.513 -15.318 1.00 33.22 H new ATOM 1180 N ASN A 70 -11.612 -2.643 -13.486 1.00 53.24 N ATOM 1181 CA ASN A 70 -12.136 -2.874 -12.132 1.00 24.34 C ATOM 1182 C ASN A 70 -12.758 -1.601 -11.573 1.00 21.23 C ATOM 1183 O ASN A 70 -12.907 -0.606 -12.284 1.00 70.33 O ATOM 1184 CB ASN A 70 -11.049 -3.385 -11.171 1.00 70.23 C ATOM 1185 CG ASN A 70 -10.401 -4.674 -11.635 1.00 23.45 C ATOM 1186 OD1 ASN A 70 -10.876 -5.767 -11.337 1.00 71.14 O ATOM 1187 ND2 ASN A 70 -9.298 -4.550 -12.358 1.00 45.04 N ATOM 0 H ASN A 70 -12.175 -3.069 -14.222 1.00 53.24 H new ATOM 0 HA ASN A 70 -12.901 -3.646 -12.215 1.00 24.34 H new ATOM 0 HB2 ASN A 70 -10.281 -2.619 -11.061 1.00 70.23 H new ATOM 0 HB3 ASN A 70 -11.488 -3.541 -10.186 1.00 70.23 H new ATOM 0 HD21 ASN A 70 -8.809 -5.382 -12.690 1.00 45.04 H new ATOM 0 HD22 ASN A 70 -8.937 -3.623 -12.583 1.00 45.04 H new ATOM 1194 N ALA A 71 -13.140 -1.644 -10.308 1.00 75.13 N ATOM 1195 CA ALA A 71 -13.719 -0.488 -9.642 1.00 41.45 C ATOM 1196 C ALA A 71 -12.971 -0.176 -8.347 1.00 50.52 C ATOM 1197 O ALA A 71 -11.942 -0.792 -8.051 1.00 13.45 O ATOM 1198 CB ALA A 71 -15.193 -0.729 -9.362 1.00 25.42 C ATOM 0 H ALA A 71 -13.059 -2.472 -9.718 1.00 75.13 H new ATOM 0 HA ALA A 71 -13.624 0.374 -10.302 1.00 41.45 H new ATOM 0 HB1 ALA A 71 -15.616 0.143 -8.863 1.00 25.42 H new ATOM 0 HB2 ALA A 71 -15.719 -0.900 -10.301 1.00 25.42 H new ATOM 0 HB3 ALA A 71 -15.303 -1.603 -8.720 1.00 25.42 H new ATOM 1204 N ASP A 72 -13.506 0.770 -7.579 1.00 10.53 N ATOM 1205 CA ASP A 72 -12.883 1.227 -6.331 1.00 74.55 C ATOM 1206 C ASP A 72 -12.632 0.071 -5.364 1.00 12.35 C ATOM 1207 O ASP A 72 -11.593 0.024 -4.712 1.00 13.25 O ATOM 1208 CB ASP A 72 -13.762 2.295 -5.667 1.00 2.33 C ATOM 1209 CG ASP A 72 -13.228 2.775 -4.330 1.00 14.11 C ATOM 1210 OD1 ASP A 72 -12.246 3.544 -4.312 1.00 45.40 O ATOM 1211 OD2 ASP A 72 -13.815 2.411 -3.288 1.00 70.14 O ATOM 0 H ASP A 72 -14.382 1.243 -7.800 1.00 10.53 H new ATOM 0 HA ASP A 72 -11.914 1.659 -6.581 1.00 74.55 H new ATOM 0 HB2 ASP A 72 -13.854 3.148 -6.340 1.00 2.33 H new ATOM 0 HB3 ASP A 72 -14.765 1.892 -5.525 1.00 2.33 H new ATOM 1216 N SER A 73 -13.566 -0.874 -5.305 1.00 34.52 N ATOM 1217 CA SER A 73 -13.454 -2.015 -4.400 1.00 0.42 C ATOM 1218 C SER A 73 -12.137 -2.770 -4.611 1.00 53.20 C ATOM 1219 O SER A 73 -11.444 -3.113 -3.648 1.00 62.22 O ATOM 1220 CB SER A 73 -14.634 -2.963 -4.614 1.00 30.52 C ATOM 1221 OG SER A 73 -15.863 -2.252 -4.638 1.00 0.43 O ATOM 0 H SER A 73 -14.412 -0.872 -5.875 1.00 34.52 H new ATOM 0 HA SER A 73 -13.466 -1.637 -3.378 1.00 0.42 H new ATOM 0 HB2 SER A 73 -14.505 -3.504 -5.552 1.00 30.52 H new ATOM 0 HB3 SER A 73 -14.656 -3.707 -3.818 1.00 30.52 H new ATOM 0 HG SER A 73 -16.602 -2.880 -4.778 1.00 0.43 H new ATOM 1227 N THR A 74 -11.787 -3.002 -5.872 1.00 61.44 N ATOM 1228 CA THR A 74 -10.578 -3.740 -6.208 1.00 20.01 C ATOM 1229 C THR A 74 -9.337 -2.858 -6.060 1.00 4.24 C ATOM 1230 O THR A 74 -8.243 -3.340 -5.771 1.00 4.23 O ATOM 1231 CB THR A 74 -10.663 -4.315 -7.637 1.00 71.13 C ATOM 1232 OG1 THR A 74 -11.840 -5.123 -7.750 1.00 21.21 O ATOM 1233 CG2 THR A 74 -9.441 -5.158 -7.975 1.00 44.10 C ATOM 0 H THR A 74 -12.326 -2.688 -6.679 1.00 61.44 H new ATOM 0 HA THR A 74 -10.491 -4.571 -5.508 1.00 20.01 H new ATOM 0 HB THR A 74 -10.703 -3.481 -8.337 1.00 71.13 H new ATOM 0 HG1 THR A 74 -11.899 -5.489 -8.657 1.00 21.21 H new ATOM 0 HG21 THR A 74 -9.536 -5.546 -8.989 1.00 44.10 H new ATOM 0 HG22 THR A 74 -8.544 -4.543 -7.905 1.00 44.10 H new ATOM 0 HG23 THR A 74 -9.367 -5.989 -7.274 1.00 44.10 H new ATOM 1241 N ALA A 75 -9.513 -1.562 -6.239 1.00 71.51 N ATOM 1242 CA ALA A 75 -8.415 -0.630 -6.074 1.00 20.13 C ATOM 1243 C ALA A 75 -8.052 -0.480 -4.601 1.00 23.14 C ATOM 1244 O ALA A 75 -6.875 -0.492 -4.237 1.00 41.12 O ATOM 1245 CB ALA A 75 -8.776 0.715 -6.676 1.00 70.22 C ATOM 0 H ALA A 75 -10.402 -1.133 -6.497 1.00 71.51 H new ATOM 0 HA ALA A 75 -7.544 -1.023 -6.598 1.00 20.13 H new ATOM 0 HB1 ALA A 75 -7.944 1.407 -6.546 1.00 70.22 H new ATOM 0 HB2 ALA A 75 -8.985 0.594 -7.739 1.00 70.22 H new ATOM 0 HB3 ALA A 75 -9.659 1.112 -6.176 1.00 70.22 H new ATOM 1251 N GLN A 76 -9.071 -0.372 -3.759 1.00 53.04 N ATOM 1252 CA GLN A 76 -8.887 -0.158 -2.338 1.00 61.31 C ATOM 1253 C GLN A 76 -8.138 -1.320 -1.690 1.00 1.04 C ATOM 1254 O GLN A 76 -7.218 -1.109 -0.900 1.00 55.41 O ATOM 1255 CB GLN A 76 -10.248 0.019 -1.674 1.00 22.20 C ATOM 1256 CG GLN A 76 -10.914 1.351 -1.992 1.00 2.41 C ATOM 1257 CD GLN A 76 -10.068 2.554 -1.625 1.00 12.02 C ATOM 1258 OE1 GLN A 76 -9.272 2.517 -0.686 1.00 31.51 O ATOM 1259 NE2 GLN A 76 -10.238 3.638 -2.369 1.00 22.14 N ATOM 0 H GLN A 76 -10.048 -0.431 -4.047 1.00 53.04 H new ATOM 0 HA GLN A 76 -8.287 0.741 -2.201 1.00 61.31 H new ATOM 0 HB2 GLN A 76 -10.905 -0.791 -1.991 1.00 22.20 H new ATOM 0 HB3 GLN A 76 -10.130 -0.070 -0.594 1.00 22.20 H new ATOM 0 HG2 GLN A 76 -11.142 1.389 -3.057 1.00 2.41 H new ATOM 0 HG3 GLN A 76 -11.864 1.409 -1.460 1.00 2.41 H new ATOM 0 HE21 GLN A 76 -10.908 3.629 -3.138 1.00 22.14 H new ATOM 0 HE22 GLN A 76 -9.699 4.481 -2.172 1.00 22.14 H new ATOM 1268 N ARG A 77 -8.523 -2.546 -2.039 1.00 40.52 N ATOM 1269 CA ARG A 77 -7.888 -3.735 -1.469 1.00 43.21 C ATOM 1270 C ARG A 77 -6.418 -3.818 -1.874 1.00 25.03 C ATOM 1271 O ARG A 77 -5.603 -4.399 -1.161 1.00 74.34 O ATOM 1272 CB ARG A 77 -8.652 -5.013 -1.866 1.00 12.52 C ATOM 1273 CG ARG A 77 -8.906 -5.165 -3.360 1.00 22.23 C ATOM 1274 CD ARG A 77 -7.739 -5.814 -4.091 1.00 23.03 C ATOM 1275 NE ARG A 77 -7.756 -7.270 -3.976 1.00 20.32 N ATOM 1276 CZ ARG A 77 -7.454 -8.097 -4.977 1.00 14.34 C ATOM 1277 NH1 ARG A 77 -7.070 -7.610 -6.151 1.00 72.42 N ATOM 1278 NH2 ARG A 77 -7.534 -9.409 -4.801 1.00 55.41 N ATOM 0 H ARG A 77 -9.266 -2.743 -2.709 1.00 40.52 H new ATOM 0 HA ARG A 77 -7.927 -3.650 -0.383 1.00 43.21 H new ATOM 0 HB2 ARG A 77 -8.090 -5.879 -1.517 1.00 12.52 H new ATOM 0 HB3 ARG A 77 -9.610 -5.024 -1.346 1.00 12.52 H new ATOM 0 HG2 ARG A 77 -9.804 -5.764 -3.513 1.00 22.23 H new ATOM 0 HG3 ARG A 77 -9.100 -4.184 -3.793 1.00 22.23 H new ATOM 0 HD2 ARG A 77 -7.771 -5.534 -5.144 1.00 23.03 H new ATOM 0 HD3 ARG A 77 -6.802 -5.430 -3.688 1.00 23.03 H new ATOM 0 HE ARG A 77 -8.014 -7.678 -3.077 1.00 20.32 H new ATOM 0 HH11 ARG A 77 -7.006 -6.601 -6.288 1.00 72.42 H new ATOM 0 HH12 ARG A 77 -6.839 -8.245 -6.916 1.00 72.42 H new ATOM 0 HH21 ARG A 77 -7.827 -9.786 -3.899 1.00 55.41 H new ATOM 0 HH22 ARG A 77 -7.303 -10.041 -5.567 1.00 55.41 H new ATOM 1292 N ASN A 78 -6.082 -3.230 -3.019 1.00 23.12 N ATOM 1293 CA ASN A 78 -4.708 -3.161 -3.466 1.00 23.21 C ATOM 1294 C ASN A 78 -3.958 -2.077 -2.703 1.00 4.45 C ATOM 1295 O ASN A 78 -2.886 -2.317 -2.150 1.00 14.55 O ATOM 1296 CB ASN A 78 -4.673 -2.879 -4.964 1.00 32.44 C ATOM 1297 CG ASN A 78 -3.272 -2.868 -5.519 1.00 24.40 C ATOM 1298 OD1 ASN A 78 -3.080 -2.114 -6.577 1.00 12.23 O flip ATOM 1299 ND2 ASN A 78 -2.376 -3.538 -5.011 1.00 62.13 N flip ATOM 0 H ASN A 78 -6.752 -2.794 -3.652 1.00 23.12 H new ATOM 0 HA ASN A 78 -4.219 -4.116 -3.272 1.00 23.21 H new ATOM 0 HB2 ASN A 78 -5.261 -3.634 -5.486 1.00 32.44 H new ATOM 0 HB3 ASN A 78 -5.145 -1.916 -5.160 1.00 32.44 H new ATOM 0 HD21 ASN A 78 -2.570 -4.110 -4.189 1.00 62.13 H new ATOM 0 HD22 ASN A 78 -1.438 -3.522 -5.411 1.00 62.13 H new ATOM 1306 N LEU A 79 -4.559 -0.897 -2.655 1.00 61.52 N ATOM 1307 CA LEU A 79 -3.969 0.260 -1.983 1.00 60.45 C ATOM 1308 C LEU A 79 -3.713 -0.023 -0.505 1.00 2.30 C ATOM 1309 O LEU A 79 -2.769 0.502 0.081 1.00 42.44 O ATOM 1310 CB LEU A 79 -4.893 1.473 -2.125 1.00 54.30 C ATOM 1311 CG LEU A 79 -5.097 1.974 -3.558 1.00 32.43 C ATOM 1312 CD1 LEU A 79 -6.101 3.115 -3.587 1.00 54.41 C ATOM 1313 CD2 LEU A 79 -3.772 2.411 -4.164 1.00 40.11 C ATOM 0 H LEU A 79 -5.468 -0.711 -3.079 1.00 61.52 H new ATOM 0 HA LEU A 79 -3.011 0.471 -2.458 1.00 60.45 H new ATOM 0 HB2 LEU A 79 -5.866 1.220 -1.704 1.00 54.30 H new ATOM 0 HB3 LEU A 79 -4.489 2.289 -1.526 1.00 54.30 H new ATOM 0 HG LEU A 79 -5.494 1.154 -4.156 1.00 32.43 H new ATOM 0 HD11 LEU A 79 -6.233 3.458 -4.613 1.00 54.41 H new ATOM 0 HD12 LEU A 79 -7.057 2.768 -3.195 1.00 54.41 H new ATOM 0 HD13 LEU A 79 -5.734 3.938 -2.974 1.00 54.41 H new ATOM 0 HD21 LEU A 79 -3.936 2.764 -5.182 1.00 40.11 H new ATOM 0 HD22 LEU A 79 -3.346 3.216 -3.565 1.00 40.11 H new ATOM 0 HD23 LEU A 79 -3.083 1.567 -4.179 1.00 40.11 H new ATOM 1325 N SER A 80 -4.554 -0.864 0.082 1.00 4.15 N ATOM 1326 CA SER A 80 -4.450 -1.205 1.496 1.00 5.22 C ATOM 1327 C SER A 80 -3.097 -1.838 1.842 1.00 61.21 C ATOM 1328 O SER A 80 -2.617 -1.688 2.963 1.00 72.42 O ATOM 1329 CB SER A 80 -5.589 -2.149 1.896 1.00 44.01 C ATOM 1330 OG SER A 80 -6.855 -1.527 1.723 1.00 60.11 O ATOM 0 H SER A 80 -5.323 -1.327 -0.404 1.00 4.15 H new ATOM 0 HA SER A 80 -4.529 -0.276 2.060 1.00 5.22 H new ATOM 0 HB2 SER A 80 -5.541 -3.057 1.294 1.00 44.01 H new ATOM 0 HB3 SER A 80 -5.467 -2.450 2.937 1.00 44.01 H new ATOM 0 HG SER A 80 -7.111 -1.563 0.778 1.00 60.11 H new ATOM 1336 N THR A 81 -2.472 -2.521 0.886 1.00 32.22 N ATOM 1337 CA THR A 81 -1.187 -3.163 1.152 1.00 53.32 C ATOM 1338 C THR A 81 -0.102 -2.118 1.406 1.00 75.00 C ATOM 1339 O THR A 81 0.686 -2.238 2.345 1.00 14.12 O ATOM 1340 CB THR A 81 -0.756 -4.103 0.005 1.00 63.32 C ATOM 1341 OG1 THR A 81 -0.668 -3.385 -1.235 1.00 74.34 O ATOM 1342 CG2 THR A 81 -1.740 -5.254 -0.139 1.00 1.13 C ATOM 0 H THR A 81 -2.826 -2.643 -0.063 1.00 32.22 H new ATOM 0 HA THR A 81 -1.317 -3.771 2.047 1.00 53.32 H new ATOM 0 HB THR A 81 0.228 -4.504 0.250 1.00 63.32 H new ATOM 0 HG1 THR A 81 -1.570 -3.201 -1.571 1.00 74.34 H new ATOM 0 HG21 THR A 81 -1.421 -5.906 -0.952 1.00 1.13 H new ATOM 0 HG22 THR A 81 -1.774 -5.822 0.790 1.00 1.13 H new ATOM 0 HG23 THR A 81 -2.732 -4.859 -0.359 1.00 1.13 H new ATOM 1350 N ILE A 82 -0.085 -1.081 0.575 1.00 31.33 N ATOM 1351 CA ILE A 82 0.821 0.043 0.769 1.00 62.00 C ATOM 1352 C ILE A 82 0.372 0.860 1.979 1.00 75.20 C ATOM 1353 O ILE A 82 1.194 1.354 2.751 1.00 33.00 O ATOM 1354 CB ILE A 82 0.871 0.951 -0.486 1.00 63.22 C ATOM 1355 CG1 ILE A 82 1.366 0.155 -1.697 1.00 1.43 C ATOM 1356 CG2 ILE A 82 1.770 2.158 -0.245 1.00 3.15 C ATOM 1357 CD1 ILE A 82 1.239 0.902 -3.009 1.00 43.51 C ATOM 0 H ILE A 82 -0.691 -0.997 -0.241 1.00 31.33 H new ATOM 0 HA ILE A 82 1.822 -0.353 0.940 1.00 62.00 H new ATOM 0 HB ILE A 82 -0.138 1.310 -0.689 1.00 63.22 H new ATOM 0 HG12 ILE A 82 2.411 -0.114 -1.542 1.00 1.43 H new ATOM 0 HG13 ILE A 82 0.804 -0.776 -1.763 1.00 1.43 H new ATOM 0 HG21 ILE A 82 1.790 2.781 -1.139 1.00 3.15 H new ATOM 0 HG22 ILE A 82 1.383 2.738 0.593 1.00 3.15 H new ATOM 0 HG23 ILE A 82 2.780 1.819 -0.016 1.00 3.15 H new ATOM 0 HD11 ILE A 82 1.609 0.276 -3.821 1.00 43.51 H new ATOM 0 HD12 ILE A 82 0.192 1.148 -3.188 1.00 43.51 H new ATOM 0 HD13 ILE A 82 1.824 1.820 -2.963 1.00 43.51 H new ATOM 1369 N LYS A 83 -0.945 0.968 2.140 1.00 22.00 N ATOM 1370 CA LYS A 83 -1.540 1.690 3.257 1.00 74.21 C ATOM 1371 C LYS A 83 -1.007 1.198 4.596 1.00 52.33 C ATOM 1372 O LYS A 83 -0.622 1.999 5.428 1.00 53.24 O ATOM 1373 CB LYS A 83 -3.066 1.562 3.237 1.00 1.31 C ATOM 1374 CG LYS A 83 -3.726 2.023 4.527 1.00 61.23 C ATOM 1375 CD LYS A 83 -5.220 1.774 4.507 1.00 31.33 C ATOM 1376 CE LYS A 83 -5.841 1.993 5.877 1.00 74.31 C ATOM 1377 NZ LYS A 83 -7.296 1.687 5.885 1.00 51.41 N ATOM 0 H LYS A 83 -1.626 0.558 1.501 1.00 22.00 H new ATOM 0 HA LYS A 83 -1.263 2.738 3.141 1.00 74.21 H new ATOM 0 HB2 LYS A 83 -3.462 2.146 2.406 1.00 1.31 H new ATOM 0 HB3 LYS A 83 -3.334 0.522 3.052 1.00 1.31 H new ATOM 0 HG2 LYS A 83 -3.280 1.499 5.372 1.00 61.23 H new ATOM 0 HG3 LYS A 83 -3.535 3.086 4.675 1.00 61.23 H new ATOM 0 HD2 LYS A 83 -5.691 2.439 3.783 1.00 31.33 H new ATOM 0 HD3 LYS A 83 -5.415 0.754 4.177 1.00 31.33 H new ATOM 0 HE2 LYS A 83 -5.334 1.364 6.609 1.00 74.31 H new ATOM 0 HE3 LYS A 83 -5.686 3.027 6.184 1.00 74.31 H new ATOM 0 HZ1 LYS A 83 -7.680 1.850 6.838 1.00 51.41 H new ATOM 0 HZ2 LYS A 83 -7.784 2.304 5.205 1.00 51.41 H new ATOM 0 HZ3 LYS A 83 -7.443 0.693 5.618 1.00 51.41 H new ATOM 1391 N ILE A 84 -0.981 -0.115 4.796 1.00 65.41 N ATOM 1392 CA ILE A 84 -0.539 -0.685 6.069 1.00 22.12 C ATOM 1393 C ILE A 84 0.862 -0.197 6.436 1.00 35.31 C ATOM 1394 O ILE A 84 1.122 0.142 7.587 1.00 74.24 O ATOM 1395 CB ILE A 84 -0.559 -2.232 6.039 1.00 4.24 C ATOM 1396 CG1 ILE A 84 -1.988 -2.746 5.826 1.00 65.22 C ATOM 1397 CG2 ILE A 84 0.029 -2.809 7.319 1.00 2.22 C ATOM 1398 CD1 ILE A 84 -2.970 -2.282 6.883 1.00 15.42 C ATOM 0 H ILE A 84 -1.259 -0.805 4.098 1.00 65.41 H new ATOM 0 HA ILE A 84 -1.243 -0.345 6.829 1.00 22.12 H new ATOM 0 HB ILE A 84 0.058 -2.563 5.203 1.00 4.24 H new ATOM 0 HG12 ILE A 84 -2.340 -2.418 4.848 1.00 65.22 H new ATOM 0 HG13 ILE A 84 -1.973 -3.836 5.811 1.00 65.22 H new ATOM 0 HG21 ILE A 84 0.003 -3.898 7.273 1.00 2.22 H new ATOM 0 HG22 ILE A 84 1.061 -2.475 7.428 1.00 2.22 H new ATOM 0 HG23 ILE A 84 -0.555 -2.468 8.174 1.00 2.22 H new ATOM 0 HD11 ILE A 84 -3.958 -2.686 6.664 1.00 15.42 H new ATOM 0 HD12 ILE A 84 -2.643 -2.633 7.862 1.00 15.42 H new ATOM 0 HD13 ILE A 84 -3.016 -1.193 6.884 1.00 15.42 H new ATOM 1410 N TYR A 85 1.750 -0.132 5.451 1.00 45.24 N ATOM 1411 CA TYR A 85 3.102 0.345 5.700 1.00 34.32 C ATOM 1412 C TYR A 85 3.086 1.840 5.975 1.00 44.12 C ATOM 1413 O TYR A 85 3.686 2.309 6.941 1.00 52.23 O ATOM 1414 CB TYR A 85 4.029 0.040 4.519 1.00 23.24 C ATOM 1415 CG TYR A 85 5.391 0.689 4.648 1.00 35.01 C ATOM 1416 CD1 TYR A 85 6.333 0.202 5.546 1.00 62.33 C ATOM 1417 CD2 TYR A 85 5.724 1.802 3.884 1.00 21.32 C ATOM 1418 CE1 TYR A 85 7.567 0.808 5.681 1.00 50.42 C ATOM 1419 CE2 TYR A 85 6.959 2.409 4.010 1.00 63.34 C ATOM 1420 CZ TYR A 85 7.873 1.910 4.911 1.00 63.12 C ATOM 1421 OH TYR A 85 9.102 2.516 5.044 1.00 54.32 O ATOM 0 H TYR A 85 1.561 -0.400 4.485 1.00 45.24 H new ATOM 0 HA TYR A 85 3.486 -0.180 6.575 1.00 34.32 H new ATOM 0 HB2 TYR A 85 4.154 -1.039 4.433 1.00 23.24 H new ATOM 0 HB3 TYR A 85 3.557 0.380 3.597 1.00 23.24 H new ATOM 0 HD1 TYR A 85 6.097 -0.663 6.147 1.00 62.33 H new ATOM 0 HD2 TYR A 85 5.006 2.198 3.181 1.00 21.32 H new ATOM 0 HE1 TYR A 85 8.288 0.421 6.386 1.00 50.42 H new ATOM 0 HE2 TYR A 85 7.206 3.269 3.406 1.00 63.34 H new ATOM 0 HH TYR A 85 9.779 1.989 4.571 1.00 54.32 H new ATOM 1431 N VAL A 86 2.393 2.580 5.121 1.00 74.21 N ATOM 1432 CA VAL A 86 2.288 4.024 5.263 1.00 61.51 C ATOM 1433 C VAL A 86 1.649 4.391 6.598 1.00 20.12 C ATOM 1434 O VAL A 86 2.230 5.131 7.388 1.00 41.55 O ATOM 1435 CB VAL A 86 1.466 4.641 4.111 1.00 32.10 C ATOM 1436 CG1 VAL A 86 1.245 6.128 4.337 1.00 64.34 C ATOM 1437 CG2 VAL A 86 2.158 4.405 2.778 1.00 65.44 C ATOM 0 H VAL A 86 1.892 2.200 4.318 1.00 74.21 H new ATOM 0 HA VAL A 86 3.299 4.429 5.227 1.00 61.51 H new ATOM 0 HB VAL A 86 0.492 4.152 4.090 1.00 32.10 H new ATOM 0 HG11 VAL A 86 0.664 6.539 3.512 1.00 64.34 H new ATOM 0 HG12 VAL A 86 0.704 6.278 5.272 1.00 64.34 H new ATOM 0 HG13 VAL A 86 2.208 6.635 4.390 1.00 64.34 H new ATOM 0 HG21 VAL A 86 1.565 4.846 1.977 1.00 65.44 H new ATOM 0 HG22 VAL A 86 3.146 4.866 2.794 1.00 65.44 H new ATOM 0 HG23 VAL A 86 2.260 3.334 2.606 1.00 65.44 H new ATOM 1447 N SER A 87 0.468 3.842 6.842 1.00 62.43 N ATOM 1448 CA SER A 87 -0.281 4.093 8.060 1.00 24.34 C ATOM 1449 C SER A 87 0.545 3.769 9.305 1.00 75.33 C ATOM 1450 O SER A 87 0.575 4.556 10.253 1.00 45.24 O ATOM 1451 CB SER A 87 -1.585 3.286 8.034 1.00 41.53 C ATOM 1452 OG SER A 87 -2.629 4.019 7.409 1.00 34.44 O ATOM 0 H SER A 87 0.001 3.206 6.195 1.00 62.43 H new ATOM 0 HA SER A 87 -0.521 5.155 8.108 1.00 24.34 H new ATOM 0 HB2 SER A 87 -1.425 2.349 7.501 1.00 41.53 H new ATOM 0 HB3 SER A 87 -1.877 3.028 9.052 1.00 41.53 H new ATOM 0 HG SER A 87 -2.683 4.914 7.805 1.00 34.44 H new ATOM 1458 N ALA A 88 1.238 2.636 9.288 1.00 63.22 N ATOM 1459 CA ALA A 88 2.094 2.261 10.406 1.00 1.33 C ATOM 1460 C ALA A 88 3.259 3.235 10.540 1.00 13.14 C ATOM 1461 O ALA A 88 3.599 3.662 11.641 1.00 55.22 O ATOM 1462 CB ALA A 88 2.607 0.838 10.239 1.00 24.23 C ATOM 0 H ALA A 88 1.224 1.966 8.519 1.00 63.22 H new ATOM 0 HA ALA A 88 1.500 2.306 11.319 1.00 1.33 H new ATOM 0 HB1 ALA A 88 3.244 0.579 11.085 1.00 24.23 H new ATOM 0 HB2 ALA A 88 1.763 0.150 10.196 1.00 24.23 H new ATOM 0 HB3 ALA A 88 3.182 0.765 9.316 1.00 24.23 H new ATOM 1468 N ALA A 89 3.843 3.610 9.406 1.00 42.54 N ATOM 1469 CA ALA A 89 4.983 4.523 9.386 1.00 32.22 C ATOM 1470 C ALA A 89 4.604 5.893 9.913 1.00 3.34 C ATOM 1471 O ALA A 89 5.455 6.641 10.397 1.00 60.23 O ATOM 1472 CB ALA A 89 5.562 4.633 7.984 1.00 72.33 C ATOM 0 H ALA A 89 3.544 3.294 8.483 1.00 42.54 H new ATOM 0 HA ALA A 89 5.747 4.110 10.045 1.00 32.22 H new ATOM 0 HB1 ALA A 89 6.410 5.318 7.993 1.00 72.33 H new ATOM 0 HB2 ALA A 89 5.893 3.650 7.649 1.00 72.33 H new ATOM 0 HB3 ALA A 89 4.798 5.010 7.304 1.00 72.33 H new ATOM 1478 N ILE A 90 3.330 6.220 9.820 1.00 53.42 N ATOM 1479 CA ILE A 90 2.834 7.485 10.322 1.00 53.43 C ATOM 1480 C ILE A 90 2.996 7.555 11.831 1.00 32.02 C ATOM 1481 O ILE A 90 3.597 8.490 12.361 1.00 50.35 O ATOM 1482 CB ILE A 90 1.351 7.696 9.957 1.00 61.10 C ATOM 1483 CG1 ILE A 90 1.187 7.685 8.444 1.00 34.52 C ATOM 1484 CG2 ILE A 90 0.828 9.002 10.544 1.00 64.23 C ATOM 1485 CD1 ILE A 90 -0.238 7.546 7.985 1.00 74.22 C ATOM 0 H ILE A 90 2.617 5.624 9.399 1.00 53.42 H new ATOM 0 HA ILE A 90 3.421 8.275 9.853 1.00 53.43 H new ATOM 0 HB ILE A 90 0.766 6.881 10.383 1.00 61.10 H new ATOM 0 HG12 ILE A 90 1.601 8.608 8.037 1.00 34.52 H new ATOM 0 HG13 ILE A 90 1.773 6.864 8.031 1.00 34.52 H new ATOM 0 HG21 ILE A 90 -0.220 9.129 10.273 1.00 64.23 H new ATOM 0 HG22 ILE A 90 0.922 8.976 11.630 1.00 64.23 H new ATOM 0 HG23 ILE A 90 1.408 9.836 10.150 1.00 64.23 H new ATOM 0 HD11 ILE A 90 -0.271 7.546 6.896 1.00 74.22 H new ATOM 0 HD12 ILE A 90 -0.651 6.610 8.360 1.00 74.22 H new ATOM 0 HD13 ILE A 90 -0.826 8.381 8.366 1.00 74.22 H new ATOM 1497 N LYS A 91 2.482 6.543 12.511 1.00 33.23 N ATOM 1498 CA LYS A 91 2.540 6.498 13.964 1.00 71.24 C ATOM 1499 C LYS A 91 3.934 6.089 14.431 1.00 31.13 C ATOM 1500 O LYS A 91 4.383 6.484 15.509 1.00 35.31 O ATOM 1501 CB LYS A 91 1.482 5.535 14.524 1.00 43.50 C ATOM 1502 CG LYS A 91 0.037 6.003 14.339 1.00 61.35 C ATOM 1503 CD LYS A 91 -0.471 5.798 12.915 1.00 44.14 C ATOM 1504 CE LYS A 91 -1.913 6.267 12.763 1.00 33.50 C ATOM 1505 NZ LYS A 91 -2.470 5.974 11.412 1.00 21.42 N ATOM 0 H LYS A 91 2.020 5.742 12.081 1.00 33.23 H new ATOM 0 HA LYS A 91 2.326 7.497 14.344 1.00 71.24 H new ATOM 0 HB2 LYS A 91 1.601 4.565 14.042 1.00 43.50 H new ATOM 0 HB3 LYS A 91 1.670 5.388 15.588 1.00 43.50 H new ATOM 0 HG2 LYS A 91 -0.607 5.462 15.032 1.00 61.35 H new ATOM 0 HG3 LYS A 91 -0.034 7.060 14.597 1.00 61.35 H new ATOM 0 HD2 LYS A 91 0.165 6.344 12.219 1.00 44.14 H new ATOM 0 HD3 LYS A 91 -0.401 4.743 12.651 1.00 44.14 H new ATOM 0 HE2 LYS A 91 -2.531 5.783 13.520 1.00 33.50 H new ATOM 0 HE3 LYS A 91 -1.964 7.340 12.948 1.00 33.50 H new ATOM 0 HZ1 LYS A 91 -2.736 6.865 10.945 1.00 21.42 H new ATOM 0 HZ2 LYS A 91 -1.753 5.484 10.840 1.00 21.42 H new ATOM 0 HZ3 LYS A 91 -3.310 5.369 11.507 1.00 21.42 H new ATOM 1519 N LYS A 92 4.618 5.304 13.605 1.00 52.22 N ATOM 1520 CA LYS A 92 5.959 4.830 13.923 1.00 53.04 C ATOM 1521 C LYS A 92 6.949 5.993 13.963 1.00 44.23 C ATOM 1522 O LYS A 92 7.787 6.069 14.856 1.00 14.40 O ATOM 1523 CB LYS A 92 6.408 3.780 12.905 1.00 54.00 C ATOM 1524 CG LYS A 92 7.574 2.929 13.370 1.00 41.22 C ATOM 1525 CD LYS A 92 7.889 1.834 12.362 1.00 11.12 C ATOM 1526 CE LYS A 92 8.890 0.831 12.913 1.00 43.43 C ATOM 1527 NZ LYS A 92 10.208 1.450 13.211 1.00 61.53 N ATOM 0 H LYS A 92 4.262 4.981 12.705 1.00 52.22 H new ATOM 0 HA LYS A 92 5.934 4.369 14.911 1.00 53.04 H new ATOM 0 HB2 LYS A 92 5.565 3.128 12.675 1.00 54.00 H new ATOM 0 HB3 LYS A 92 6.685 4.282 11.978 1.00 54.00 H new ATOM 0 HG2 LYS A 92 8.452 3.558 13.515 1.00 41.22 H new ATOM 0 HG3 LYS A 92 7.339 2.482 14.336 1.00 41.22 H new ATOM 0 HD2 LYS A 92 6.970 1.317 12.088 1.00 11.12 H new ATOM 0 HD3 LYS A 92 8.287 2.282 11.451 1.00 11.12 H new ATOM 0 HE2 LYS A 92 8.488 0.383 13.822 1.00 43.43 H new ATOM 0 HE3 LYS A 92 9.025 0.024 12.193 1.00 43.43 H new ATOM 0 HZ1 LYS A 92 10.855 0.726 13.584 1.00 61.53 H new ATOM 0 HZ2 LYS A 92 10.606 1.855 12.340 1.00 61.53 H new ATOM 0 HZ3 LYS A 92 10.086 2.203 13.918 1.00 61.53 H new ATOM 1541 N GLY A 93 6.849 6.894 12.992 1.00 1.02 N ATOM 1542 CA GLY A 93 7.683 8.083 13.012 1.00 33.32 C ATOM 1543 C GLY A 93 8.315 8.414 11.672 1.00 40.31 C ATOM 1544 O GLY A 93 9.528 8.613 11.589 1.00 31.20 O ATOM 0 H GLY A 93 6.212 6.825 12.198 1.00 1.02 H new ATOM 0 HA2 GLY A 93 7.081 8.931 13.338 1.00 33.32 H new ATOM 0 HA3 GLY A 93 8.472 7.949 13.752 1.00 33.32 H new ATOM 1548 N TYR A 94 7.506 8.460 10.618 1.00 73.20 N ATOM 1549 CA TYR A 94 7.972 8.933 9.319 1.00 41.11 C ATOM 1550 C TYR A 94 6.898 9.775 8.635 1.00 21.31 C ATOM 1551 O TYR A 94 7.033 10.992 8.521 1.00 35.23 O ATOM 1552 CB TYR A 94 8.371 7.767 8.412 1.00 72.22 C ATOM 1553 CG TYR A 94 8.909 8.224 7.069 1.00 54.12 C ATOM 1554 CD1 TYR A 94 10.104 8.928 6.981 1.00 24.24 C ATOM 1555 CD2 TYR A 94 8.208 7.978 5.895 1.00 0.31 C ATOM 1556 CE1 TYR A 94 10.587 9.369 5.765 1.00 22.23 C ATOM 1557 CE2 TYR A 94 8.683 8.421 4.673 1.00 53.45 C ATOM 1558 CZ TYR A 94 9.875 9.115 4.615 1.00 54.13 C ATOM 1559 OH TYR A 94 10.347 9.566 3.403 1.00 72.04 O ATOM 0 H TYR A 94 6.527 8.176 10.638 1.00 73.20 H new ATOM 0 HA TYR A 94 8.853 9.551 9.493 1.00 41.11 H new ATOM 0 HB2 TYR A 94 9.127 7.164 8.915 1.00 72.22 H new ATOM 0 HB3 TYR A 94 7.505 7.125 8.252 1.00 72.22 H new ATOM 0 HD1 TYR A 94 10.665 9.134 7.880 1.00 24.24 H new ATOM 0 HD2 TYR A 94 7.277 7.432 5.937 1.00 0.31 H new ATOM 0 HE1 TYR A 94 11.520 9.911 5.717 1.00 22.23 H new ATOM 0 HE2 TYR A 94 8.124 8.225 3.770 1.00 53.45 H new ATOM 0 HH TYR A 94 10.646 8.804 2.864 1.00 72.04 H new ATOM 1569 N MET A 95 5.832 9.120 8.189 1.00 54.21 N ATOM 1570 CA MET A 95 4.736 9.801 7.516 1.00 51.34 C ATOM 1571 C MET A 95 4.027 10.751 8.465 1.00 11.35 C ATOM 1572 O MET A 95 3.833 10.445 9.640 1.00 73.42 O ATOM 1573 CB MET A 95 3.752 8.783 6.948 1.00 53.23 C ATOM 1574 CG MET A 95 4.232 8.099 5.677 1.00 54.55 C ATOM 1575 SD MET A 95 4.286 9.217 4.265 1.00 43.13 S ATOM 1576 CE MET A 95 2.546 9.609 4.076 1.00 2.24 C ATOM 0 H MET A 95 5.705 8.112 8.283 1.00 54.21 H new ATOM 0 HA MET A 95 5.148 10.387 6.694 1.00 51.34 H new ATOM 0 HB2 MET A 95 3.554 8.023 7.704 1.00 53.23 H new ATOM 0 HB3 MET A 95 2.805 9.283 6.744 1.00 53.23 H new ATOM 0 HG2 MET A 95 5.226 7.684 5.845 1.00 54.55 H new ATOM 0 HG3 MET A 95 3.572 7.262 5.448 1.00 54.55 H new ATOM 0 HE1 MET A 95 2.191 9.236 3.115 1.00 2.24 H new ATOM 0 HE2 MET A 95 1.978 9.140 4.879 1.00 2.24 H new ATOM 0 HE3 MET A 95 2.410 10.690 4.119 1.00 2.24 H new ATOM 1586 N GLU A 96 3.660 11.909 7.949 1.00 2.51 N ATOM 1587 CA GLU A 96 3.045 12.947 8.757 1.00 70.45 C ATOM 1588 C GLU A 96 1.592 12.605 9.077 1.00 2.14 C ATOM 1589 O GLU A 96 1.168 12.658 10.234 1.00 61.21 O ATOM 1590 CB GLU A 96 3.117 14.283 8.019 1.00 51.54 C ATOM 1591 CG GLU A 96 2.724 15.474 8.872 1.00 55.24 C ATOM 1592 CD GLU A 96 2.773 16.774 8.101 1.00 51.40 C ATOM 1593 OE1 GLU A 96 3.883 17.281 7.850 1.00 3.41 O ATOM 1594 OE2 GLU A 96 1.698 17.296 7.749 1.00 0.14 O ATOM 0 H GLU A 96 3.778 12.156 6.966 1.00 2.51 H new ATOM 0 HA GLU A 96 3.590 13.020 9.698 1.00 70.45 H new ATOM 0 HB2 GLU A 96 4.132 14.430 7.651 1.00 51.54 H new ATOM 0 HB3 GLU A 96 2.465 14.241 7.147 1.00 51.54 H new ATOM 0 HG2 GLU A 96 1.717 15.323 9.261 1.00 55.24 H new ATOM 0 HG3 GLU A 96 3.391 15.539 9.731 1.00 55.24 H new ATOM 1601 N ASN A 97 0.846 12.222 8.052 1.00 24.54 N ATOM 1602 CA ASN A 97 -0.591 12.000 8.188 1.00 4.22 C ATOM 1603 C ASN A 97 -1.061 10.884 7.275 1.00 33.52 C ATOM 1604 O ASN A 97 -0.395 10.550 6.293 1.00 12.31 O ATOM 1605 CB ASN A 97 -1.371 13.281 7.874 1.00 75.55 C ATOM 1606 CG ASN A 97 -1.550 14.180 9.081 1.00 20.05 C ATOM 1607 OD1 ASN A 97 -1.741 13.580 10.245 1.00 22.44 O flip ATOM 1608 ND2 ASN A 97 -1.547 15.406 8.963 1.00 0.45 N flip ATOM 0 H ASN A 97 1.210 12.057 7.114 1.00 24.54 H new ATOM 0 HA ASN A 97 -0.781 11.710 9.222 1.00 4.22 H new ATOM 0 HB2 ASN A 97 -0.851 13.833 7.091 1.00 75.55 H new ATOM 0 HB3 ASN A 97 -2.351 13.015 7.479 1.00 75.55 H new ATOM 0 HD21 ASN A 97 -1.396 15.830 8.048 1.00 0.45 H new ATOM 0 HD22 ASN A 97 -1.695 15.997 9.781 1.00 0.45 H new ATOM 1615 N ASP A 98 -2.207 10.309 7.618 1.00 52.53 N ATOM 1616 CA ASP A 98 -2.809 9.251 6.831 1.00 33.22 C ATOM 1617 C ASP A 98 -3.355 9.813 5.520 1.00 3.12 C ATOM 1618 O ASP A 98 -3.915 10.910 5.493 1.00 32.45 O ATOM 1619 CB ASP A 98 -3.939 8.585 7.627 1.00 12.15 C ATOM 1620 CG ASP A 98 -3.440 7.687 8.746 1.00 41.53 C ATOM 1621 OD1 ASP A 98 -3.184 6.489 8.490 1.00 73.43 O ATOM 1622 OD2 ASP A 98 -3.305 8.175 9.890 1.00 63.43 O ATOM 0 H ASP A 98 -2.741 10.565 8.448 1.00 52.53 H new ATOM 0 HA ASP A 98 -2.047 8.506 6.603 1.00 33.22 H new ATOM 0 HB2 ASP A 98 -4.580 9.358 8.050 1.00 12.15 H new ATOM 0 HB3 ASP A 98 -4.555 7.997 6.947 1.00 12.15 H new ATOM 1627 N PRO A 99 -3.223 9.055 4.424 1.00 51.05 N ATOM 1628 CA PRO A 99 -3.667 9.501 3.102 1.00 12.31 C ATOM 1629 C PRO A 99 -5.187 9.449 2.946 1.00 21.32 C ATOM 1630 O PRO A 99 -5.784 10.321 2.322 1.00 14.52 O ATOM 1631 CB PRO A 99 -2.972 8.520 2.153 1.00 43.11 C ATOM 1632 CG PRO A 99 -2.785 7.276 2.955 1.00 14.33 C ATOM 1633 CD PRO A 99 -2.597 7.719 4.383 1.00 64.33 C ATOM 0 HA PRO A 99 -3.414 10.544 2.909 1.00 12.31 H new ATOM 0 HB2 PRO A 99 -3.578 8.331 1.267 1.00 43.11 H new ATOM 0 HB3 PRO A 99 -2.016 8.915 1.808 1.00 43.11 H new ATOM 0 HG2 PRO A 99 -3.650 6.620 2.862 1.00 14.33 H new ATOM 0 HG3 PRO A 99 -1.919 6.714 2.605 1.00 14.33 H new ATOM 0 HD2 PRO A 99 -3.075 7.032 5.081 1.00 64.33 H new ATOM 0 HD3 PRO A 99 -1.542 7.764 4.652 1.00 64.33 H new ATOM 1641 N PHE A 100 -5.813 8.444 3.545 1.00 34.20 N ATOM 1642 CA PHE A 100 -7.261 8.277 3.442 1.00 42.42 C ATOM 1643 C PHE A 100 -7.987 9.292 4.315 1.00 75.25 C ATOM 1644 O PHE A 100 -9.172 9.567 4.133 1.00 30.23 O ATOM 1645 CB PHE A 100 -7.667 6.850 3.820 1.00 70.43 C ATOM 1646 CG PHE A 100 -7.267 6.431 5.209 1.00 1.12 C ATOM 1647 CD1 PHE A 100 -6.020 5.876 5.449 1.00 1.23 C ATOM 1648 CD2 PHE A 100 -8.143 6.582 6.272 1.00 13.22 C ATOM 1649 CE1 PHE A 100 -5.656 5.480 6.720 1.00 51.00 C ATOM 1650 CE2 PHE A 100 -7.783 6.189 7.546 1.00 33.04 C ATOM 1651 CZ PHE A 100 -6.539 5.638 7.772 1.00 32.44 C ATOM 0 H PHE A 100 -5.344 7.733 4.106 1.00 34.20 H new ATOM 0 HA PHE A 100 -7.551 8.453 2.406 1.00 42.42 H new ATOM 0 HB2 PHE A 100 -8.749 6.757 3.724 1.00 70.43 H new ATOM 0 HB3 PHE A 100 -7.223 6.158 3.104 1.00 70.43 H new ATOM 0 HD1 PHE A 100 -5.325 5.752 4.632 1.00 1.23 H new ATOM 0 HD2 PHE A 100 -9.119 7.012 6.102 1.00 13.22 H new ATOM 0 HE1 PHE A 100 -4.682 5.047 6.893 1.00 51.00 H new ATOM 0 HE2 PHE A 100 -8.476 6.313 8.365 1.00 33.04 H new ATOM 0 HZ PHE A 100 -6.255 5.331 8.768 1.00 32.44 H new ATOM 1661 N LYS A 101 -7.250 9.858 5.250 1.00 62.44 N ATOM 1662 CA LYS A 101 -7.775 10.857 6.157 1.00 1.21 C ATOM 1663 C LYS A 101 -8.011 12.178 5.418 1.00 24.12 C ATOM 1664 O LYS A 101 -8.866 12.976 5.801 1.00 22.21 O ATOM 1665 CB LYS A 101 -6.773 11.016 7.314 1.00 63.10 C ATOM 1666 CG LYS A 101 -7.120 12.076 8.348 1.00 74.44 C ATOM 1667 CD LYS A 101 -6.663 13.460 7.915 1.00 12.01 C ATOM 1668 CE LYS A 101 -5.161 13.520 7.675 1.00 65.24 C ATOM 1669 NZ LYS A 101 -4.715 14.884 7.284 1.00 13.13 N ATOM 0 H LYS A 101 -6.266 9.636 5.402 1.00 62.44 H new ATOM 0 HA LYS A 101 -8.740 10.548 6.558 1.00 1.21 H new ATOM 0 HB2 LYS A 101 -6.678 10.056 7.822 1.00 63.10 H new ATOM 0 HB3 LYS A 101 -5.795 11.252 6.893 1.00 63.10 H new ATOM 0 HG2 LYS A 101 -8.198 12.084 8.512 1.00 74.44 H new ATOM 0 HG3 LYS A 101 -6.654 11.821 9.300 1.00 74.44 H new ATOM 0 HD2 LYS A 101 -7.187 13.745 7.003 1.00 12.01 H new ATOM 0 HD3 LYS A 101 -6.936 14.187 8.680 1.00 12.01 H new ATOM 0 HE2 LYS A 101 -4.636 13.212 8.579 1.00 65.24 H new ATOM 0 HE3 LYS A 101 -4.890 12.811 6.892 1.00 65.24 H new ATOM 0 HZ1 LYS A 101 -3.686 14.882 7.130 1.00 13.13 H new ATOM 0 HZ2 LYS A 101 -5.196 15.168 6.407 1.00 13.13 H new ATOM 0 HZ3 LYS A 101 -4.950 15.557 8.042 1.00 13.13 H new ATOM 1683 N ASP A 102 -7.271 12.378 4.334 1.00 55.10 N ATOM 1684 CA ASP A 102 -7.286 13.648 3.608 1.00 30.00 C ATOM 1685 C ASP A 102 -8.266 13.608 2.435 1.00 22.14 C ATOM 1686 O ASP A 102 -8.336 14.541 1.635 1.00 51.14 O ATOM 1687 CB ASP A 102 -5.872 13.959 3.112 1.00 4.43 C ATOM 1688 CG ASP A 102 -5.719 15.362 2.548 1.00 22.32 C ATOM 1689 OD1 ASP A 102 -6.084 16.331 3.244 1.00 70.44 O ATOM 1690 OD2 ASP A 102 -5.231 15.502 1.406 1.00 24.44 O ATOM 0 H ASP A 102 -6.649 11.675 3.935 1.00 55.10 H new ATOM 0 HA ASP A 102 -7.620 14.434 4.285 1.00 30.00 H new ATOM 0 HB2 ASP A 102 -5.170 13.829 3.936 1.00 4.43 H new ATOM 0 HB3 ASP A 102 -5.598 13.236 2.344 1.00 4.43 H new ATOM 1695 N PHE A 103 -9.035 12.531 2.348 1.00 11.44 N ATOM 1696 CA PHE A 103 -9.968 12.343 1.239 1.00 22.32 C ATOM 1697 C PHE A 103 -11.175 13.278 1.320 1.00 21.44 C ATOM 1698 O PHE A 103 -12.255 12.894 1.778 1.00 44.04 O ATOM 1699 CB PHE A 103 -10.438 10.890 1.147 1.00 35.41 C ATOM 1700 CG PHE A 103 -9.631 10.066 0.183 1.00 1.43 C ATOM 1701 CD1 PHE A 103 -9.969 10.027 -1.160 1.00 23.42 C ATOM 1702 CD2 PHE A 103 -8.539 9.332 0.615 1.00 43.00 C ATOM 1703 CE1 PHE A 103 -9.233 9.275 -2.053 1.00 13.13 C ATOM 1704 CE2 PHE A 103 -7.799 8.576 -0.274 1.00 4.14 C ATOM 1705 CZ PHE A 103 -8.146 8.547 -1.610 1.00 33.02 C ATOM 0 H PHE A 103 -9.033 11.773 3.031 1.00 11.44 H new ATOM 0 HA PHE A 103 -9.416 12.595 0.334 1.00 22.32 H new ATOM 0 HB2 PHE A 103 -10.386 10.435 2.136 1.00 35.41 H new ATOM 0 HB3 PHE A 103 -11.484 10.872 0.843 1.00 35.41 H new ATOM 0 HD1 PHE A 103 -10.819 10.592 -1.513 1.00 23.42 H new ATOM 0 HD2 PHE A 103 -8.263 9.351 1.659 1.00 43.00 H new ATOM 0 HE1 PHE A 103 -9.507 9.256 -3.098 1.00 13.13 H new ATOM 0 HE2 PHE A 103 -6.950 8.008 0.076 1.00 4.14 H new ATOM 0 HZ PHE A 103 -7.569 7.957 -2.307 1.00 33.02 H new ATOM 1715 N GLY A 104 -10.950 14.520 0.917 1.00 42.13 N ATOM 1716 CA GLY A 104 -12.024 15.460 0.679 1.00 64.24 C ATOM 1717 C GLY A 104 -12.579 16.080 1.937 1.00 64.43 C ATOM 1718 O GLY A 104 -12.082 17.107 2.406 1.00 52.34 O ATOM 0 H GLY A 104 -10.018 14.899 0.747 1.00 42.13 H new ATOM 0 HA2 GLY A 104 -11.663 16.252 0.023 1.00 64.24 H new ATOM 0 HA3 GLY A 104 -12.830 14.951 0.150 1.00 64.24 H new ATOM 1722 N LEU A 105 -13.591 15.421 2.484 1.00 75.42 N ATOM 1723 CA LEU A 105 -14.408 15.960 3.575 1.00 75.20 C ATOM 1724 C LEU A 105 -15.108 17.244 3.124 1.00 14.53 C ATOM 1725 O LEU A 105 -14.542 18.338 3.199 1.00 43.34 O ATOM 1726 CB LEU A 105 -13.563 16.220 4.828 1.00 61.42 C ATOM 1727 CG LEU A 105 -14.341 16.731 6.046 1.00 22.13 C ATOM 1728 CD1 LEU A 105 -15.338 15.690 6.528 1.00 23.42 C ATOM 1729 CD2 LEU A 105 -13.385 17.109 7.165 1.00 1.25 C ATOM 0 H LEU A 105 -13.875 14.488 2.184 1.00 75.42 H new ATOM 0 HA LEU A 105 -15.163 15.217 3.832 1.00 75.20 H new ATOM 0 HB2 LEU A 105 -13.056 15.295 5.103 1.00 61.42 H new ATOM 0 HB3 LEU A 105 -12.789 16.947 4.580 1.00 61.42 H new ATOM 0 HG LEU A 105 -14.896 17.620 5.747 1.00 22.13 H new ATOM 0 HD11 LEU A 105 -15.878 16.076 7.393 1.00 23.42 H new ATOM 0 HD12 LEU A 105 -16.045 15.466 5.729 1.00 23.42 H new ATOM 0 HD13 LEU A 105 -14.807 14.780 6.808 1.00 23.42 H new ATOM 0 HD21 LEU A 105 -13.953 17.470 8.022 1.00 1.25 H new ATOM 0 HD22 LEU A 105 -12.803 16.235 7.457 1.00 1.25 H new ATOM 0 HD23 LEU A 105 -12.712 17.894 6.819 1.00 1.25 H new ATOM 1741 N GLU A 106 -16.338 17.110 2.648 1.00 63.11 N ATOM 1742 CA GLU A 106 -17.044 18.241 2.062 1.00 62.15 C ATOM 1743 C GLU A 106 -18.260 18.658 2.893 1.00 73.12 C ATOM 1744 O GLU A 106 -19.155 17.856 3.160 1.00 13.41 O ATOM 1745 CB GLU A 106 -17.468 17.928 0.621 1.00 55.42 C ATOM 1746 CG GLU A 106 -18.314 16.673 0.478 1.00 55.32 C ATOM 1747 CD GLU A 106 -18.950 16.559 -0.890 1.00 20.44 C ATOM 1748 OE1 GLU A 106 -20.063 17.102 -1.077 1.00 43.45 O ATOM 1749 OE2 GLU A 106 -18.344 15.936 -1.786 1.00 33.42 O ATOM 0 H GLU A 106 -16.865 16.236 2.656 1.00 63.11 H new ATOM 0 HA GLU A 106 -16.349 19.081 2.055 1.00 62.15 H new ATOM 0 HB2 GLU A 106 -18.027 18.776 0.227 1.00 55.42 H new ATOM 0 HB3 GLU A 106 -16.574 17.822 0.006 1.00 55.42 H new ATOM 0 HG2 GLU A 106 -17.693 15.796 0.661 1.00 55.32 H new ATOM 0 HG3 GLU A 106 -19.094 16.675 1.239 1.00 55.32 H new ATOM 1756 N HIS A 107 -18.262 19.922 3.304 1.00 25.24 N ATOM 1757 CA HIS A 107 -19.390 20.538 4.003 1.00 34.31 C ATOM 1758 C HIS A 107 -19.165 22.043 4.094 1.00 22.30 C ATOM 1759 O HIS A 107 -18.224 22.494 4.744 1.00 62.40 O ATOM 1760 CB HIS A 107 -19.572 19.953 5.413 1.00 15.34 C ATOM 1761 CG HIS A 107 -20.734 19.009 5.528 1.00 64.01 C ATOM 1762 ND1 HIS A 107 -20.608 17.694 5.922 1.00 44.50 N ATOM 1763 CD2 HIS A 107 -22.056 19.204 5.308 1.00 62.51 C ATOM 1764 CE1 HIS A 107 -21.798 17.125 5.937 1.00 40.11 C ATOM 1765 NE2 HIS A 107 -22.694 18.018 5.570 1.00 60.50 N ATOM 0 H HIS A 107 -17.475 20.555 3.161 1.00 25.24 H new ATOM 0 HA HIS A 107 -20.297 20.327 3.437 1.00 34.31 H new ATOM 0 HB2 HIS A 107 -18.660 19.430 5.700 1.00 15.34 H new ATOM 0 HB3 HIS A 107 -19.707 20.770 6.121 1.00 15.34 H new ATOM 0 HD2 HIS A 107 -22.522 20.123 4.986 1.00 62.51 H new ATOM 0 HE1 HIS A 107 -22.003 16.099 6.205 1.00 40.11 H new ATOM 0 HE2 HIS A 107 -23.698 17.855 5.493 1.00 60.50 H new ATOM 1774 N HIS A 108 -20.006 22.819 3.427 1.00 64.21 N ATOM 1775 CA HIS A 108 -19.829 24.268 3.386 1.00 51.54 C ATOM 1776 C HIS A 108 -20.988 25.003 4.041 1.00 21.31 C ATOM 1777 O HIS A 108 -22.158 24.663 3.844 1.00 52.12 O ATOM 1778 CB HIS A 108 -19.662 24.767 1.947 1.00 25.31 C ATOM 1779 CG HIS A 108 -18.290 24.563 1.387 1.00 73.45 C ATOM 1780 ND1 HIS A 108 -17.996 24.703 0.050 1.00 55.23 N ATOM 1781 CD2 HIS A 108 -17.123 24.251 1.995 1.00 33.13 C ATOM 1782 CE1 HIS A 108 -16.710 24.483 -0.140 1.00 65.25 C ATOM 1783 NE2 HIS A 108 -16.152 24.209 1.025 1.00 73.01 N ATOM 0 H HIS A 108 -20.814 22.475 2.909 1.00 64.21 H new ATOM 0 HA HIS A 108 -18.921 24.483 3.949 1.00 51.54 H new ATOM 0 HB2 HIS A 108 -20.383 24.255 1.310 1.00 25.31 H new ATOM 0 HB3 HIS A 108 -19.903 25.829 1.912 1.00 25.31 H new ATOM 0 HD2 HIS A 108 -16.981 24.068 3.050 1.00 33.13 H new ATOM 0 HE1 HIS A 108 -16.198 24.521 -1.090 1.00 65.25 H new ATOM 0 HE2 HIS A 108 -15.165 24.001 1.179 1.00 73.01 H new ATOM 1792 N HIS A 109 -20.636 26.007 4.824 1.00 2.31 N ATOM 1793 CA HIS A 109 -21.596 26.918 5.420 1.00 24.45 C ATOM 1794 C HIS A 109 -20.965 28.298 5.527 1.00 62.40 C ATOM 1795 O HIS A 109 -20.143 28.547 6.414 1.00 41.33 O ATOM 1796 CB HIS A 109 -22.045 26.417 6.802 1.00 53.42 C ATOM 1797 CG HIS A 109 -22.874 27.405 7.570 1.00 3.22 C ATOM 1798 ND1 HIS A 109 -24.159 27.756 7.216 1.00 15.24 N ATOM 1799 CD2 HIS A 109 -22.587 28.124 8.680 1.00 70.24 C ATOM 1800 CE1 HIS A 109 -24.623 28.645 8.070 1.00 33.50 C ATOM 1801 NE2 HIS A 109 -23.690 28.885 8.969 1.00 2.51 N ATOM 0 H HIS A 109 -19.667 26.215 5.066 1.00 2.31 H new ATOM 0 HA HIS A 109 -22.483 26.970 4.788 1.00 24.45 H new ATOM 0 HB2 HIS A 109 -22.618 25.498 6.676 1.00 53.42 H new ATOM 0 HB3 HIS A 109 -21.163 26.164 7.390 1.00 53.42 H new ATOM 0 HD2 HIS A 109 -21.661 28.102 9.235 1.00 70.24 H new ATOM 0 HE1 HIS A 109 -25.602 29.100 8.039 1.00 33.50 H new ATOM 0 HE2 HIS A 109 -23.775 29.532 9.753 1.00 2.51 H new ATOM 1810 N HIS A 110 -21.326 29.186 4.614 1.00 51.54 N ATOM 1811 CA HIS A 110 -20.723 30.510 4.577 1.00 4.03 C ATOM 1812 C HIS A 110 -21.710 31.571 4.083 1.00 4.51 C ATOM 1813 O HIS A 110 -22.449 32.149 4.885 1.00 44.25 O ATOM 1814 CB HIS A 110 -19.451 30.490 3.707 1.00 72.43 C ATOM 1815 CG HIS A 110 -18.807 31.835 3.501 1.00 72.34 C ATOM 1816 ND1 HIS A 110 -18.526 32.707 4.528 1.00 31.20 N ATOM 1817 CD2 HIS A 110 -18.408 32.457 2.366 1.00 45.42 C ATOM 1818 CE1 HIS A 110 -17.983 33.805 4.036 1.00 20.31 C ATOM 1819 NE2 HIS A 110 -17.900 33.681 2.726 1.00 33.22 N ATOM 0 H HIS A 110 -22.028 29.017 3.894 1.00 51.54 H new ATOM 0 HA HIS A 110 -20.447 30.782 5.596 1.00 4.03 H new ATOM 0 HB2 HIS A 110 -18.724 29.821 4.167 1.00 72.43 H new ATOM 0 HB3 HIS A 110 -19.700 30.069 2.733 1.00 72.43 H new ATOM 0 HD2 HIS A 110 -18.477 32.063 1.363 1.00 45.42 H new ATOM 0 HE1 HIS A 110 -17.661 34.661 4.610 1.00 20.31 H new ATOM 0 HE2 HIS A 110 -17.521 34.379 2.086 1.00 33.22 H new ATOM 1828 N HIS A 111 -21.746 31.780 2.763 1.00 41.04 N ATOM 1829 CA HIS A 111 -22.420 32.934 2.161 1.00 34.44 C ATOM 1830 C HIS A 111 -21.800 34.235 2.691 1.00 53.30 C ATOM 1831 O HIS A 111 -20.981 34.856 2.022 1.00 4.22 O ATOM 1832 CB HIS A 111 -23.935 32.904 2.418 1.00 20.03 C ATOM 1833 CG HIS A 111 -24.680 34.017 1.741 1.00 15.30 C ATOM 1834 ND1 HIS A 111 -25.285 35.045 2.432 1.00 32.44 N ATOM 1835 CD2 HIS A 111 -24.912 34.262 0.430 1.00 33.01 C ATOM 1836 CE1 HIS A 111 -25.859 35.870 1.575 1.00 65.45 C ATOM 1837 NE2 HIS A 111 -25.645 35.420 0.355 1.00 51.33 N ATOM 0 H HIS A 111 -21.310 31.156 2.084 1.00 41.04 H new ATOM 0 HA HIS A 111 -22.277 32.887 1.081 1.00 34.44 H new ATOM 0 HB2 HIS A 111 -24.335 31.949 2.076 1.00 20.03 H new ATOM 0 HB3 HIS A 111 -24.114 32.958 3.492 1.00 20.03 H new ATOM 0 HD2 HIS A 111 -24.582 33.658 -0.402 1.00 33.01 H new ATOM 0 HE1 HIS A 111 -26.411 36.763 1.831 1.00 65.45 H new ATOM 0 HE2 HIS A 111 -25.971 35.861 -0.505 1.00 51.33 H new ATOM 1846 N HIS A 112 -22.185 34.621 3.901 1.00 34.12 N ATOM 1847 CA HIS A 112 -21.602 35.764 4.594 1.00 73.04 C ATOM 1848 C HIS A 112 -21.530 35.457 6.082 1.00 44.03 C ATOM 1849 O HIS A 112 -20.465 35.007 6.550 1.00 39.05 O ATOM 1850 CB HIS A 112 -22.420 37.044 4.380 1.00 2.22 C ATOM 1851 CG HIS A 112 -22.037 37.839 3.169 1.00 21.33 C ATOM 1852 ND1 HIS A 112 -20.981 37.738 2.330 1.00 41.24 N flip ATOM 1853 CD2 HIS A 112 -22.784 38.901 2.709 1.00 14.41 C flip ATOM 1854 CE1 HIS A 112 -21.114 38.725 1.389 1.00 13.01 C flip ATOM 1855 NE2 HIS A 112 -22.209 39.412 1.639 1.00 2.21 N flip ATOM 1856 OXT HIS A 112 -22.560 35.626 6.767 1.00 39.05 O ATOM 0 H HIS A 112 -22.915 34.147 4.433 1.00 34.12 H new ATOM 0 HA HIS A 112 -20.606 35.934 4.185 1.00 73.04 H new ATOM 0 HB2 HIS A 112 -23.474 36.776 4.303 1.00 2.22 H new ATOM 0 HB3 HIS A 112 -22.315 37.677 5.261 1.00 2.22 H new ATOM 0 HD1 HIS A 112 -20.226 37.054 2.387 1.00 41.24 H new ATOM 0 HD2 HIS A 112 -23.699 39.259 3.156 1.00 14.41 H new ATOM 0 HE1 HIS A 112 -20.431 38.910 0.573 1.00 13.01 H new TER 1865 HIS A 112