USER MOD reduce.3.24.130724 H: found=0, std=0, add=917, rem=0, adj=38 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 83 LYS NZ :NH3+ 175:sc= 1.25 (180deg=0) USER MOD Set 1.2: A 87 SER OG : rot -47:sc= 0.928 USER MOD Set 2.1: A 33 HIS : no HE2:sc= -2.19! X(o=-4.9!,f=-4.5) USER MOD Set 2.2: A 36 CYS SG : rot -170:sc= -3.35! USER MOD Set 2.3: A 78 ASN : amide:sc= -0.149 K(o=-4.9,f=-5.8) USER MOD Set 2.4: A 81 THR OG1 : rot -163:sc= 0.819 USER MOD Set 3.1: A 11 HIS : no HE2:sc= -0.0877 K(o=-1.2,f=-7.5!) USER MOD Set 3.2: A 44 CYS SG : rot -10:sc= -1.09 USER MOD Set 3.3: A 60 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 18 MET CE :methyl 152:sc= -1.21 (180deg=-3.35!) USER MOD Set 4.2: A 21 TYR OH : rot 30:sc= -0.271 USER MOD Single : A 1 MET CE :methyl 169:sc=-0.00158 (180deg=-0.146) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 3 ASN : amide:sc= -0.854 K(o=-0.85,f=-5.6!) USER MOD Single : A 5 SER OG : rot -54:sc= 0.022 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot -132:sc= 1.36 USER MOD Single : A 16 SER OG : rot 141:sc= 0.0149 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 22 SER OG : rot 58:sc= 0.182 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 HIS :FLIP no HD1:sc= 0 F(o=-1.4,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0.096 USER MOD Single : A 37 MET CE :methyl -113:sc= -0.834 (180deg=-1.46) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 128:sc= -0.04 (180deg=-0.326) USER MOD Single : A 43 TYR OH : rot 30:sc= 0 USER MOD Single : A 48 GLN :FLIP amide:sc= -0.0151 F(o=-0.92,f=-0.015) USER MOD Single : A 50 HIS : no HD1:sc= -0.238 X(o=-0.24,f=-0.24) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl 157:sc= -0.827 (180deg=-1.8!) 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 152:sc= 0.494 USER MOD Single : A 69 CYS SG : rot -11:sc= 1.25 USER MOD Single : A 70 ASN :FLIP amide:sc= -0.138 F(o=-1.2,f=-0.14) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -1.68! C(o=-1.7!,f=-6.3!) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 139:sc= 0.0456 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 MET CE :methyl -133:sc= -0.5 (180deg=-2.52!) USER MOD Single : A 97 ASN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 101 LYS NZ :NH3+ 147:sc= 1.23 (180deg=0.165) USER MOD Single : A 107 HIS : no HD1:sc= -0.0171 X(o=-0.017,f=-0.032) USER MOD Single : A 108 HIS : no HE2:sc= 1.12 K(o=1.1,f=-5!) 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 K(o=0,f=-1.3) USER MOD Single : A 111 HIS : no HD1:sc= -0.147 X(o=-0.15,f=-0.29) USER MOD Single : A 112 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 15.852 -4.303 14.228 1.00 61.41 N ATOM 2 CA MET A 1 15.459 -4.150 12.812 1.00 52.03 C ATOM 3 C MET A 1 16.693 -4.057 11.925 1.00 52.54 C ATOM 4 O MET A 1 17.331 -3.005 11.821 1.00 73.10 O ATOM 5 CB MET A 1 14.581 -2.903 12.630 1.00 72.42 C ATOM 6 CG MET A 1 14.341 -2.524 11.174 1.00 65.13 C ATOM 7 SD MET A 1 13.559 -3.837 10.216 1.00 60.51 S ATOM 8 CE MET A 1 11.925 -3.879 10.951 1.00 33.23 C ATOM 0 H1 MET A 1 14.999 -4.365 14.820 1.00 61.41 H new ATOM 0 H2 MET A 1 16.415 -5.170 14.340 1.00 61.41 H new ATOM 0 H3 MET A 1 16.418 -3.482 14.522 1.00 61.41 H new ATOM 0 HA MET A 1 14.883 -5.028 12.518 1.00 52.03 H new ATOM 0 HB2 MET A 1 13.619 -3.074 13.114 1.00 72.42 H new ATOM 0 HB3 MET A 1 15.050 -2.063 13.141 1.00 72.42 H new ATOM 0 HG2 MET A 1 13.714 -1.633 11.136 1.00 65.13 H new ATOM 0 HG3 MET A 1 15.293 -2.264 10.712 1.00 65.13 H new ATOM 0 HE1 MET A 1 11.268 -4.499 10.341 1.00 33.23 H new ATOM 0 HE2 MET A 1 11.989 -4.296 11.956 1.00 33.23 H new ATOM 0 HE3 MET A 1 11.523 -2.867 11.003 1.00 33.23 H new ATOM 20 N ASN A 2 17.045 -5.177 11.318 1.00 12.22 N ATOM 21 CA ASN A 2 18.154 -5.234 10.383 1.00 73.10 C ATOM 22 C ASN A 2 17.762 -6.051 9.165 1.00 23.13 C ATOM 23 O ASN A 2 17.457 -7.241 9.266 1.00 14.21 O ATOM 24 CB ASN A 2 19.399 -5.826 11.047 1.00 61.20 C ATOM 25 CG ASN A 2 20.511 -6.101 10.054 1.00 22.23 C ATOM 26 OD1 ASN A 2 20.633 -7.212 9.536 1.00 71.34 O ATOM 27 ND2 ASN A 2 21.322 -5.095 9.770 1.00 13.04 N ATOM 0 H ASN A 2 16.572 -6.069 11.459 1.00 12.22 H new ATOM 0 HA ASN A 2 18.393 -4.219 10.067 1.00 73.10 H new ATOM 0 HB2 ASN A 2 19.761 -5.139 11.812 1.00 61.20 H new ATOM 0 HB3 ASN A 2 19.131 -6.753 11.553 1.00 61.20 H new ATOM 0 HD21 ASN A 2 22.081 -5.225 9.101 1.00 13.04 H new ATOM 0 HD22 ASN A 2 21.188 -4.189 10.220 1.00 13.04 H new ATOM 34 N ASN A 3 17.745 -5.391 8.023 1.00 64.32 N ATOM 35 CA ASN A 3 17.400 -6.025 6.763 1.00 71.44 C ATOM 36 C ASN A 3 18.091 -5.272 5.638 1.00 2.12 C ATOM 37 O ASN A 3 18.255 -4.054 5.729 1.00 61.42 O ATOM 38 CB ASN A 3 15.876 -6.015 6.562 1.00 21.32 C ATOM 39 CG ASN A 3 15.440 -6.777 5.322 1.00 44.24 C ATOM 40 OD1 ASN A 3 15.347 -6.216 4.229 1.00 25.32 O ATOM 41 ND2 ASN A 3 15.170 -8.065 5.484 1.00 1.11 N ATOM 0 H ASN A 3 17.970 -4.399 7.941 1.00 64.32 H new ATOM 0 HA ASN A 3 17.731 -7.064 6.767 1.00 71.44 H new ATOM 0 HB2 ASN A 3 15.396 -6.451 7.438 1.00 21.32 H new ATOM 0 HB3 ASN A 3 15.531 -4.984 6.489 1.00 21.32 H new ATOM 0 HD21 ASN A 3 14.873 -8.628 4.687 1.00 1.11 H new ATOM 0 HD22 ASN A 3 15.259 -8.493 6.406 1.00 1.11 H new ATOM 48 N PRO A 4 18.540 -5.982 4.587 1.00 3.05 N ATOM 49 CA PRO A 4 19.169 -5.358 3.419 1.00 43.33 C ATOM 50 C PRO A 4 18.369 -4.174 2.873 1.00 23.10 C ATOM 51 O PRO A 4 18.947 -3.212 2.367 1.00 21.33 O ATOM 52 CB PRO A 4 19.201 -6.490 2.392 1.00 32.43 C ATOM 53 CG PRO A 4 19.273 -7.733 3.205 1.00 1.33 C ATOM 54 CD PRO A 4 18.502 -7.455 4.467 1.00 13.24 C ATOM 0 HA PRO A 4 20.148 -4.946 3.663 1.00 43.33 H new ATOM 0 HB2 PRO A 4 18.311 -6.479 1.762 1.00 32.43 H new ATOM 0 HB3 PRO A 4 20.062 -6.400 1.729 1.00 32.43 H new ATOM 0 HG2 PRO A 4 18.844 -8.577 2.665 1.00 1.33 H new ATOM 0 HG3 PRO A 4 20.308 -7.991 3.430 1.00 1.33 H new ATOM 0 HD2 PRO A 4 17.479 -7.825 4.400 1.00 13.24 H new ATOM 0 HD3 PRO A 4 18.960 -7.939 5.330 1.00 13.24 H new ATOM 62 N SER A 5 17.040 -4.252 2.991 1.00 12.23 N ATOM 63 CA SER A 5 16.152 -3.204 2.498 1.00 72.00 C ATOM 64 C SER A 5 16.392 -3.005 1.006 1.00 34.34 C ATOM 65 O SER A 5 16.454 -1.883 0.502 1.00 4.14 O ATOM 66 CB SER A 5 16.390 -1.901 3.280 1.00 34.54 C ATOM 67 OG SER A 5 15.330 -0.978 3.093 1.00 74.33 O ATOM 0 H SER A 5 16.557 -5.037 3.427 1.00 12.23 H new ATOM 0 HA SER A 5 15.113 -3.497 2.648 1.00 72.00 H new ATOM 0 HB2 SER A 5 16.493 -2.127 4.341 1.00 34.54 H new ATOM 0 HB3 SER A 5 17.328 -1.449 2.958 1.00 34.54 H new ATOM 0 HG SER A 5 15.191 -0.830 2.134 1.00 74.33 H new ATOM 73 N ASP A 6 16.494 -4.123 0.300 1.00 11.44 N ATOM 74 CA ASP A 6 16.857 -4.120 -1.112 1.00 41.11 C ATOM 75 C ASP A 6 15.636 -3.893 -1.986 1.00 72.04 C ATOM 76 O ASP A 6 15.677 -4.052 -3.205 1.00 71.44 O ATOM 77 CB ASP A 6 17.522 -5.442 -1.473 1.00 21.35 C ATOM 78 CG ASP A 6 18.411 -5.329 -2.692 1.00 3.11 C ATOM 79 OD1 ASP A 6 19.412 -4.582 -2.635 1.00 2.54 O ATOM 80 OD2 ASP A 6 18.123 -6.000 -3.703 1.00 40.11 O ATOM 0 H ASP A 6 16.329 -5.052 0.686 1.00 11.44 H new ATOM 0 HA ASP A 6 17.556 -3.303 -1.289 1.00 41.11 H new ATOM 0 HB2 ASP A 6 18.114 -5.790 -0.627 1.00 21.35 H new ATOM 0 HB3 ASP A 6 16.754 -6.194 -1.656 1.00 21.35 H new ATOM 85 N PHE A 7 14.553 -3.514 -1.344 1.00 31.33 N ATOM 86 CA PHE A 7 13.317 -3.216 -2.029 1.00 52.54 C ATOM 87 C PHE A 7 13.380 -1.811 -2.606 1.00 14.25 C ATOM 88 O PHE A 7 13.543 -0.833 -1.874 1.00 21.31 O ATOM 89 CB PHE A 7 12.156 -3.339 -1.056 1.00 52.42 C ATOM 90 CG PHE A 7 12.189 -4.615 -0.263 1.00 3.42 C ATOM 91 CD1 PHE A 7 11.711 -5.797 -0.805 1.00 10.55 C ATOM 92 CD2 PHE A 7 12.720 -4.635 1.019 1.00 54.12 C ATOM 93 CE1 PHE A 7 11.758 -6.973 -0.084 1.00 71.40 C ATOM 94 CE2 PHE A 7 12.773 -5.808 1.741 1.00 35.15 C ATOM 95 CZ PHE A 7 12.291 -6.979 1.190 1.00 14.13 C ATOM 0 H PHE A 7 14.506 -3.404 -0.331 1.00 31.33 H new ATOM 0 HA PHE A 7 13.169 -3.923 -2.845 1.00 52.54 H new ATOM 0 HB2 PHE A 7 12.171 -2.491 -0.371 1.00 52.42 H new ATOM 0 HB3 PHE A 7 11.218 -3.285 -1.609 1.00 52.42 H new ATOM 0 HD1 PHE A 7 11.297 -5.798 -1.803 1.00 10.55 H new ATOM 0 HD2 PHE A 7 13.096 -3.722 1.456 1.00 54.12 H new ATOM 0 HE1 PHE A 7 11.378 -7.887 -0.516 1.00 71.40 H new ATOM 0 HE2 PHE A 7 13.191 -5.811 2.737 1.00 35.15 H new ATOM 0 HZ PHE A 7 12.331 -7.899 1.755 1.00 14.13 H new ATOM 105 N LYS A 8 13.247 -1.721 -3.917 1.00 41.52 N ATOM 106 CA LYS A 8 13.463 -0.467 -4.628 1.00 33.14 C ATOM 107 C LYS A 8 12.195 0.369 -4.736 1.00 55.33 C ATOM 108 O LYS A 8 12.145 1.362 -5.464 1.00 1.52 O ATOM 109 CB LYS A 8 14.037 -0.744 -6.010 1.00 4.13 C ATOM 110 CG LYS A 8 15.532 -1.024 -5.978 1.00 62.11 C ATOM 111 CD LYS A 8 16.119 -1.245 -7.364 1.00 14.04 C ATOM 112 CE LYS A 8 15.606 -2.523 -8.002 1.00 23.22 C ATOM 113 NZ LYS A 8 16.382 -2.873 -9.220 1.00 33.54 N ATOM 0 H LYS A 8 12.989 -2.505 -4.517 1.00 41.52 H new ATOM 0 HA LYS A 8 14.177 0.116 -4.047 1.00 33.14 H new ATOM 0 HB2 LYS A 8 13.521 -1.598 -6.449 1.00 4.13 H new ATOM 0 HB3 LYS A 8 13.845 0.112 -6.657 1.00 4.13 H new ATOM 0 HG2 LYS A 8 16.044 -0.188 -5.501 1.00 62.11 H new ATOM 0 HG3 LYS A 8 15.719 -1.905 -5.364 1.00 62.11 H new ATOM 0 HD2 LYS A 8 15.871 -0.397 -8.002 1.00 14.04 H new ATOM 0 HD3 LYS A 8 17.206 -1.285 -7.295 1.00 14.04 H new ATOM 0 HE2 LYS A 8 15.667 -3.340 -7.283 1.00 23.22 H new ATOM 0 HE3 LYS A 8 14.554 -2.405 -8.261 1.00 23.22 H new ATOM 0 HZ1 LYS A 8 16.006 -3.751 -9.631 1.00 33.54 H new ATOM 0 HZ2 LYS A 8 16.303 -2.104 -9.915 1.00 33.54 H new ATOM 0 HZ3 LYS A 8 17.382 -3.010 -8.967 1.00 33.54 H new ATOM 127 N SER A 9 11.174 -0.040 -4.023 1.00 41.20 N ATOM 128 CA SER A 9 9.975 0.763 -3.890 1.00 42.42 C ATOM 129 C SER A 9 9.347 0.538 -2.528 1.00 30.10 C ATOM 130 O SER A 9 9.481 -0.538 -1.945 1.00 32.02 O ATOM 131 CB SER A 9 8.967 0.425 -4.986 1.00 42.04 C ATOM 132 OG SER A 9 8.529 -0.917 -4.885 1.00 73.32 O ATOM 0 H SER A 9 11.146 -0.928 -3.522 1.00 41.20 H new ATOM 0 HA SER A 9 10.255 1.812 -3.990 1.00 42.42 H new ATOM 0 HB2 SER A 9 8.111 1.096 -4.915 1.00 42.04 H new ATOM 0 HB3 SER A 9 9.420 0.589 -5.963 1.00 42.04 H new ATOM 0 HG SER A 9 8.574 -1.343 -5.766 1.00 73.32 H new ATOM 138 N PHE A 10 8.659 1.551 -2.023 1.00 20.52 N ATOM 139 CA PHE A 10 7.931 1.417 -0.774 1.00 24.45 C ATOM 140 C PHE A 10 6.827 0.378 -0.923 1.00 53.05 C ATOM 141 O PHE A 10 6.457 -0.283 0.034 1.00 31.41 O ATOM 142 CB PHE A 10 7.336 2.762 -0.353 1.00 14.23 C ATOM 143 CG PHE A 10 8.368 3.834 -0.137 1.00 14.40 C ATOM 144 CD1 PHE A 10 9.282 3.732 0.900 1.00 3.04 C ATOM 145 CD2 PHE A 10 8.421 4.941 -0.968 1.00 14.35 C ATOM 146 CE1 PHE A 10 10.230 4.714 1.103 1.00 2.01 C ATOM 147 CE2 PHE A 10 9.369 5.926 -0.770 1.00 54.32 C ATOM 148 CZ PHE A 10 10.274 5.813 0.267 1.00 51.15 C ATOM 0 H PHE A 10 8.591 2.471 -2.458 1.00 20.52 H new ATOM 0 HA PHE A 10 8.625 1.089 -0.000 1.00 24.45 H new ATOM 0 HB2 PHE A 10 6.633 3.094 -1.117 1.00 14.23 H new ATOM 0 HB3 PHE A 10 6.767 2.626 0.567 1.00 14.23 H new ATOM 0 HD1 PHE A 10 9.252 2.875 1.556 1.00 3.04 H new ATOM 0 HD2 PHE A 10 7.714 5.035 -1.779 1.00 14.35 H new ATOM 0 HE1 PHE A 10 10.937 4.624 1.915 1.00 2.01 H new ATOM 0 HE2 PHE A 10 9.402 6.784 -1.426 1.00 54.32 H new ATOM 0 HZ PHE A 10 11.015 6.583 0.424 1.00 51.15 H new ATOM 158 N HIS A 11 6.335 0.223 -2.150 1.00 24.40 N ATOM 159 CA HIS A 11 5.269 -0.732 -2.443 1.00 41.05 C ATOM 160 C HIS A 11 5.762 -2.155 -2.206 1.00 11.50 C ATOM 161 O HIS A 11 5.049 -2.992 -1.655 1.00 45.31 O ATOM 162 CB HIS A 11 4.791 -0.590 -3.897 1.00 63.14 C ATOM 163 CG HIS A 11 4.193 0.747 -4.238 1.00 73.10 C ATOM 164 ND1 HIS A 11 3.432 0.960 -5.365 1.00 31.12 N ATOM 165 CD2 HIS A 11 4.270 1.947 -3.613 1.00 60.43 C ATOM 166 CE1 HIS A 11 3.068 2.223 -5.422 1.00 43.45 C ATOM 167 NE2 HIS A 11 3.565 2.849 -4.371 1.00 75.21 N ATOM 0 H HIS A 11 6.660 0.749 -2.961 1.00 24.40 H new ATOM 0 HA HIS A 11 4.432 -0.521 -1.778 1.00 41.05 H new ATOM 0 HB2 HIS A 11 5.635 -0.775 -4.562 1.00 63.14 H new ATOM 0 HB3 HIS A 11 4.051 -1.365 -4.099 1.00 63.14 H new ATOM 0 HD1 HIS A 11 3.187 0.247 -6.052 1.00 31.12 H new ATOM 0 HD2 HIS A 11 4.790 2.155 -2.689 1.00 60.43 H new ATOM 0 HE1 HIS A 11 2.465 2.672 -6.197 1.00 43.45 H new ATOM 176 N ASP A 12 6.996 -2.408 -2.624 1.00 22.51 N ATOM 177 CA ASP A 12 7.617 -3.721 -2.479 1.00 74.33 C ATOM 178 C ASP A 12 8.102 -3.915 -1.047 1.00 73.03 C ATOM 179 O ASP A 12 8.051 -5.017 -0.496 1.00 71.43 O ATOM 180 CB ASP A 12 8.789 -3.833 -3.457 1.00 64.33 C ATOM 181 CG ASP A 12 9.338 -5.239 -3.593 1.00 63.35 C ATOM 182 OD1 ASP A 12 8.554 -6.211 -3.524 1.00 13.44 O ATOM 183 OD2 ASP A 12 10.554 -5.377 -3.818 1.00 62.03 O ATOM 0 H ASP A 12 7.593 -1.713 -3.071 1.00 22.51 H new ATOM 0 HA ASP A 12 6.886 -4.498 -2.702 1.00 74.33 H new ATOM 0 HB2 ASP A 12 8.467 -3.482 -4.437 1.00 64.33 H new ATOM 0 HB3 ASP A 12 9.589 -3.170 -3.128 1.00 64.33 H new ATOM 188 N PHE A 13 8.567 -2.822 -0.452 1.00 52.13 N ATOM 189 CA PHE A 13 9.027 -2.823 0.935 1.00 13.01 C ATOM 190 C PHE A 13 7.883 -3.176 1.888 1.00 14.14 C ATOM 191 O PHE A 13 8.080 -3.907 2.864 1.00 1.42 O ATOM 192 CB PHE A 13 9.612 -1.451 1.295 1.00 34.25 C ATOM 193 CG PHE A 13 10.259 -1.401 2.652 1.00 15.30 C ATOM 194 CD1 PHE A 13 11.559 -1.849 2.830 1.00 42.24 C ATOM 195 CD2 PHE A 13 9.570 -0.911 3.748 1.00 41.15 C ATOM 196 CE1 PHE A 13 12.157 -1.809 4.075 1.00 43.51 C ATOM 197 CE2 PHE A 13 10.164 -0.871 4.997 1.00 55.42 C ATOM 198 CZ PHE A 13 11.459 -1.321 5.160 1.00 40.05 C ATOM 0 H PHE A 13 8.636 -1.915 -0.913 1.00 52.13 H new ATOM 0 HA PHE A 13 9.804 -3.580 1.040 1.00 13.01 H new ATOM 0 HB2 PHE A 13 10.349 -1.172 0.542 1.00 34.25 H new ATOM 0 HB3 PHE A 13 8.817 -0.706 1.255 1.00 34.25 H new ATOM 0 HD1 PHE A 13 12.111 -2.234 1.985 1.00 42.24 H new ATOM 0 HD2 PHE A 13 8.557 -0.556 3.627 1.00 41.15 H new ATOM 0 HE1 PHE A 13 13.171 -2.160 4.199 1.00 43.51 H new ATOM 0 HE2 PHE A 13 9.615 -0.488 5.844 1.00 55.42 H new ATOM 0 HZ PHE A 13 11.924 -1.291 6.134 1.00 40.05 H new ATOM 208 N VAL A 14 6.690 -2.665 1.589 1.00 64.13 N ATOM 209 CA VAL A 14 5.501 -2.938 2.395 1.00 52.35 C ATOM 210 C VAL A 14 5.264 -4.436 2.553 1.00 64.54 C ATOM 211 O VAL A 14 4.921 -4.902 3.637 1.00 73.14 O ATOM 212 CB VAL A 14 4.242 -2.280 1.785 1.00 60.21 C ATOM 213 CG1 VAL A 14 2.972 -2.851 2.397 1.00 53.41 C ATOM 214 CG2 VAL A 14 4.278 -0.775 1.986 1.00 5.12 C ATOM 0 H VAL A 14 6.521 -2.056 0.789 1.00 64.13 H new ATOM 0 HA VAL A 14 5.684 -2.506 3.379 1.00 52.35 H new ATOM 0 HB VAL A 14 4.238 -2.498 0.717 1.00 60.21 H new ATOM 0 HG11 VAL A 14 2.103 -2.369 1.948 1.00 53.41 H new ATOM 0 HG12 VAL A 14 2.929 -3.924 2.210 1.00 53.41 H new ATOM 0 HG13 VAL A 14 2.973 -2.670 3.472 1.00 53.41 H new ATOM 0 HG21 VAL A 14 3.384 -0.328 1.550 1.00 5.12 H new ATOM 0 HG22 VAL A 14 4.313 -0.551 3.052 1.00 5.12 H new ATOM 0 HG23 VAL A 14 5.163 -0.364 1.500 1.00 5.12 H new ATOM 224 N ALA A 15 5.477 -5.186 1.476 1.00 62.44 N ATOM 225 CA ALA A 15 5.251 -6.625 1.489 1.00 41.42 C ATOM 226 C ALA A 15 6.115 -7.312 2.542 1.00 51.44 C ATOM 227 O ALA A 15 5.680 -8.266 3.186 1.00 44.14 O ATOM 228 CB ALA A 15 5.524 -7.218 0.114 1.00 1.01 C ATOM 0 H ALA A 15 5.806 -4.819 0.583 1.00 62.44 H new ATOM 0 HA ALA A 15 4.206 -6.797 1.747 1.00 41.42 H new ATOM 0 HB1 ALA A 15 5.351 -8.294 0.141 1.00 1.01 H new ATOM 0 HB2 ALA A 15 4.858 -6.761 -0.618 1.00 1.01 H new ATOM 0 HB3 ALA A 15 6.559 -7.024 -0.167 1.00 1.01 H new ATOM 234 N SER A 16 7.328 -6.806 2.732 1.00 35.41 N ATOM 235 CA SER A 16 8.255 -7.392 3.688 1.00 11.13 C ATOM 236 C SER A 16 7.795 -7.114 5.118 1.00 62.31 C ATOM 237 O SER A 16 7.865 -7.988 5.986 1.00 43.51 O ATOM 238 CB SER A 16 9.668 -6.843 3.464 1.00 13.11 C ATOM 239 OG SER A 16 10.635 -7.593 4.184 1.00 72.34 O ATOM 0 H SER A 16 7.691 -5.992 2.236 1.00 35.41 H new ATOM 0 HA SER A 16 8.274 -8.471 3.536 1.00 11.13 H new ATOM 0 HB2 SER A 16 9.905 -6.867 2.400 1.00 13.11 H new ATOM 0 HB3 SER A 16 9.708 -5.799 3.776 1.00 13.11 H new ATOM 0 HG SER A 16 11.439 -7.703 3.635 1.00 72.34 H new ATOM 245 N TYR A 17 7.312 -5.902 5.363 1.00 24.23 N ATOM 246 CA TYR A 17 6.832 -5.544 6.690 1.00 13.12 C ATOM 247 C TYR A 17 5.502 -6.236 6.963 1.00 43.44 C ATOM 248 O TYR A 17 5.260 -6.728 8.066 1.00 71.30 O ATOM 249 CB TYR A 17 6.684 -4.027 6.828 1.00 51.00 C ATOM 250 CG TYR A 17 6.485 -3.577 8.260 1.00 23.20 C ATOM 251 CD1 TYR A 17 7.569 -3.462 9.124 1.00 61.33 C ATOM 252 CD2 TYR A 17 5.221 -3.274 8.752 1.00 42.11 C ATOM 253 CE1 TYR A 17 7.397 -3.060 10.436 1.00 24.02 C ATOM 254 CE2 TYR A 17 5.044 -2.868 10.062 1.00 73.40 C ATOM 255 CZ TYR A 17 6.134 -2.763 10.898 1.00 35.24 C ATOM 256 OH TYR A 17 5.958 -2.362 12.204 1.00 40.40 O ATOM 0 H TYR A 17 7.243 -5.158 4.668 1.00 24.23 H new ATOM 0 HA TYR A 17 7.564 -5.877 7.425 1.00 13.12 H new ATOM 0 HB2 TYR A 17 7.572 -3.543 6.422 1.00 51.00 H new ATOM 0 HB3 TYR A 17 5.837 -3.695 6.228 1.00 51.00 H new ATOM 0 HD1 TYR A 17 8.561 -3.690 8.764 1.00 61.33 H new ATOM 0 HD2 TYR A 17 4.363 -3.357 8.101 1.00 42.11 H new ATOM 0 HE1 TYR A 17 8.249 -2.979 11.095 1.00 24.02 H new ATOM 0 HE2 TYR A 17 4.055 -2.634 10.428 1.00 73.40 H new ATOM 0 HH TYR A 17 5.007 -2.190 12.368 1.00 40.40 H new ATOM 266 N MET A 18 4.660 -6.286 5.935 1.00 0.33 N ATOM 267 CA MET A 18 3.386 -6.998 5.990 1.00 53.01 C ATOM 268 C MET A 18 3.607 -8.432 6.439 1.00 13.01 C ATOM 269 O MET A 18 2.952 -8.914 7.363 1.00 30.11 O ATOM 270 CB MET A 18 2.727 -6.985 4.605 1.00 72.01 C ATOM 271 CG MET A 18 1.432 -7.783 4.521 1.00 14.33 C ATOM 272 SD MET A 18 0.086 -7.035 5.455 1.00 4.24 S ATOM 273 CE MET A 18 -0.059 -5.456 4.624 1.00 11.43 C ATOM 0 H MET A 18 4.841 -5.834 5.039 1.00 0.33 H new ATOM 0 HA MET A 18 2.733 -6.500 6.706 1.00 53.01 H new ATOM 0 HB2 MET A 18 2.523 -5.952 4.322 1.00 72.01 H new ATOM 0 HB3 MET A 18 3.433 -7.382 3.876 1.00 72.01 H new ATOM 0 HG2 MET A 18 1.135 -7.875 3.476 1.00 14.33 H new ATOM 0 HG3 MET A 18 1.608 -8.792 4.893 1.00 14.33 H new ATOM 0 HE1 MET A 18 -1.084 -5.094 4.707 1.00 11.43 H new ATOM 0 HE2 MET A 18 0.618 -4.738 5.087 1.00 11.43 H new ATOM 0 HE3 MET A 18 0.201 -5.573 3.572 1.00 11.43 H new ATOM 283 N LYS A 19 4.564 -9.087 5.787 1.00 24.03 N ATOM 284 CA LYS A 19 4.910 -10.481 6.062 1.00 71.41 C ATOM 285 C LYS A 19 5.152 -10.721 7.551 1.00 52.14 C ATOM 286 O LYS A 19 4.799 -11.774 8.082 1.00 25.12 O ATOM 287 CB LYS A 19 6.161 -10.854 5.269 1.00 74.21 C ATOM 288 CG LYS A 19 6.581 -12.302 5.422 1.00 35.41 C ATOM 289 CD LYS A 19 7.880 -12.566 4.690 1.00 31.13 C ATOM 290 CE LYS A 19 8.229 -14.042 4.695 1.00 73.00 C ATOM 291 NZ LYS A 19 9.458 -14.329 3.911 1.00 30.54 N ATOM 0 H LYS A 19 5.126 -8.664 5.048 1.00 24.03 H new ATOM 0 HA LYS A 19 4.070 -11.106 5.759 1.00 71.41 H new ATOM 0 HB2 LYS A 19 5.984 -10.648 4.213 1.00 74.21 H new ATOM 0 HB3 LYS A 19 6.984 -10.213 5.586 1.00 74.21 H new ATOM 0 HG2 LYS A 19 6.699 -12.541 6.479 1.00 35.41 H new ATOM 0 HG3 LYS A 19 5.800 -12.955 5.033 1.00 35.41 H new ATOM 0 HD2 LYS A 19 7.798 -12.214 3.662 1.00 31.13 H new ATOM 0 HD3 LYS A 19 8.685 -11.999 5.158 1.00 31.13 H new ATOM 0 HE2 LYS A 19 8.369 -14.377 5.723 1.00 73.00 H new ATOM 0 HE3 LYS A 19 7.396 -14.612 4.284 1.00 73.00 H new ATOM 0 HZ1 LYS A 19 9.659 -15.349 3.942 1.00 30.54 H new ATOM 0 HZ2 LYS A 19 9.317 -14.033 2.924 1.00 30.54 H new ATOM 0 HZ3 LYS A 19 10.259 -13.806 4.318 1.00 30.54 H new ATOM 305 N THR A 20 5.739 -9.729 8.210 1.00 41.03 N ATOM 306 CA THR A 20 6.073 -9.824 9.626 1.00 63.01 C ATOM 307 C THR A 20 4.853 -10.204 10.475 1.00 32.34 C ATOM 308 O THR A 20 4.898 -11.171 11.237 1.00 51.20 O ATOM 309 CB THR A 20 6.672 -8.496 10.137 1.00 41.12 C ATOM 310 OG1 THR A 20 7.825 -8.147 9.351 1.00 30.54 O ATOM 311 CG2 THR A 20 7.067 -8.598 11.603 1.00 41.03 C ATOM 0 H THR A 20 5.996 -8.840 7.780 1.00 41.03 H new ATOM 0 HA THR A 20 6.816 -10.615 9.727 1.00 63.01 H new ATOM 0 HB THR A 20 5.911 -7.722 10.040 1.00 41.12 H new ATOM 0 HG1 THR A 20 8.200 -7.303 9.678 1.00 30.54 H new ATOM 0 HG21 THR A 20 7.486 -7.648 11.934 1.00 41.03 H new ATOM 0 HG22 THR A 20 6.187 -8.835 12.201 1.00 41.03 H new ATOM 0 HG23 THR A 20 7.812 -9.385 11.725 1.00 41.03 H new ATOM 319 N TYR A 21 3.759 -9.463 10.335 1.00 75.43 N ATOM 320 CA TYR A 21 2.561 -9.749 11.105 1.00 14.31 C ATOM 321 C TYR A 21 1.599 -10.649 10.334 1.00 5.02 C ATOM 322 O TYR A 21 0.621 -11.145 10.890 1.00 13.31 O ATOM 323 CB TYR A 21 1.870 -8.457 11.550 1.00 74.15 C ATOM 324 CG TYR A 21 1.697 -7.420 10.465 1.00 34.31 C ATOM 325 CD1 TYR A 21 2.677 -6.463 10.235 1.00 3.14 C ATOM 326 CD2 TYR A 21 0.546 -7.381 9.688 1.00 34.32 C ATOM 327 CE1 TYR A 21 2.517 -5.497 9.262 1.00 44.43 C ATOM 328 CE2 TYR A 21 0.381 -6.420 8.710 1.00 53.42 C ATOM 329 CZ TYR A 21 1.369 -5.481 8.503 1.00 41.02 C ATOM 330 OH TYR A 21 1.206 -4.520 7.533 1.00 34.12 O ATOM 0 H TYR A 21 3.680 -8.668 9.701 1.00 75.43 H new ATOM 0 HA TYR A 21 2.869 -10.291 11.999 1.00 14.31 H new ATOM 0 HB2 TYR A 21 0.888 -8.708 11.952 1.00 74.15 H new ATOM 0 HB3 TYR A 21 2.445 -8.017 12.364 1.00 74.15 H new ATOM 0 HD1 TYR A 21 3.580 -6.475 10.828 1.00 3.14 H new ATOM 0 HD2 TYR A 21 -0.231 -8.113 9.851 1.00 34.32 H new ATOM 0 HE1 TYR A 21 3.288 -4.759 9.097 1.00 44.43 H new ATOM 0 HE2 TYR A 21 -0.517 -6.404 8.111 1.00 53.42 H new ATOM 0 HH TYR A 21 2.082 -4.260 7.179 1.00 34.12 H new ATOM 340 N SER A 22 1.892 -10.879 9.058 1.00 42.03 N ATOM 341 CA SER A 22 1.127 -11.836 8.259 1.00 65.34 C ATOM 342 C SER A 22 1.416 -13.265 8.711 1.00 43.14 C ATOM 343 O SER A 22 0.774 -14.212 8.265 1.00 42.53 O ATOM 344 CB SER A 22 1.442 -11.682 6.772 1.00 42.24 C ATOM 345 OG SER A 22 1.031 -10.413 6.299 1.00 0.43 O ATOM 0 H SER A 22 2.650 -10.419 8.555 1.00 42.03 H new ATOM 0 HA SER A 22 0.068 -11.627 8.410 1.00 65.34 H new ATOM 0 HB2 SER A 22 2.512 -11.807 6.608 1.00 42.24 H new ATOM 0 HB3 SER A 22 0.939 -12.466 6.206 1.00 42.24 H new ATOM 0 HG SER A 22 1.474 -9.711 6.820 1.00 0.43 H new ATOM 351 N ARG A 23 2.405 -13.405 9.588 1.00 10.43 N ATOM 352 CA ARG A 23 2.755 -14.690 10.181 1.00 63.32 C ATOM 353 C ARG A 23 1.533 -15.320 10.861 1.00 44.41 C ATOM 354 O ARG A 23 1.416 -16.544 10.941 1.00 2.22 O ATOM 355 CB ARG A 23 3.892 -14.480 11.190 1.00 42.11 C ATOM 356 CG ARG A 23 4.680 -15.736 11.548 1.00 32.11 C ATOM 357 CD ARG A 23 3.972 -16.601 12.581 1.00 55.13 C ATOM 358 NE ARG A 23 4.828 -17.690 13.046 1.00 44.21 N ATOM 359 CZ ARG A 23 4.488 -18.570 13.987 1.00 23.31 C ATOM 360 NH1 ARG A 23 3.267 -18.559 14.512 1.00 51.44 N ATOM 361 NH2 ARG A 23 5.371 -19.470 14.394 1.00 73.11 N ATOM 0 H ARG A 23 2.986 -12.630 9.907 1.00 10.43 H new ATOM 0 HA ARG A 23 3.088 -15.374 9.400 1.00 63.32 H new ATOM 0 HB2 ARG A 23 4.583 -13.739 10.787 1.00 42.11 H new ATOM 0 HB3 ARG A 23 3.473 -14.060 12.104 1.00 42.11 H new ATOM 0 HG2 ARG A 23 4.850 -16.322 10.645 1.00 32.11 H new ATOM 0 HG3 ARG A 23 5.659 -15.448 11.931 1.00 32.11 H new ATOM 0 HD2 ARG A 23 3.673 -15.985 13.429 1.00 55.13 H new ATOM 0 HD3 ARG A 23 3.060 -17.013 12.149 1.00 55.13 H new ATOM 0 HE ARG A 23 5.750 -17.783 12.621 1.00 44.21 H new ATOM 0 HH11 ARG A 23 2.582 -17.873 14.195 1.00 51.44 H new ATOM 0 HH12 ARG A 23 3.015 -19.236 15.232 1.00 51.44 H new ATOM 0 HH21 ARG A 23 6.306 -19.487 13.987 1.00 73.11 H new ATOM 0 HH22 ARG A 23 5.116 -20.146 15.114 1.00 73.11 H new ATOM 375 N ARG A 24 0.613 -14.479 11.334 1.00 42.23 N ATOM 376 CA ARG A 24 -0.596 -14.958 12.003 1.00 0.23 C ATOM 377 C ARG A 24 -1.652 -15.379 10.985 1.00 53.25 C ATOM 378 O ARG A 24 -2.641 -16.027 11.328 1.00 71.30 O ATOM 379 CB ARG A 24 -1.178 -13.885 12.929 1.00 54.14 C ATOM 380 CG ARG A 24 -0.307 -13.556 14.132 1.00 1.12 C ATOM 381 CD ARG A 24 0.758 -12.520 13.804 1.00 15.52 C ATOM 382 NE ARG A 24 1.644 -12.269 14.939 1.00 31.04 N ATOM 383 CZ ARG A 24 1.394 -11.385 15.906 1.00 15.53 C ATOM 384 NH1 ARG A 24 0.268 -10.676 15.902 1.00 13.14 N ATOM 385 NH2 ARG A 24 2.270 -11.209 16.884 1.00 3.40 N ATOM 0 H ARG A 24 0.682 -13.464 11.266 1.00 42.23 H new ATOM 0 HA ARG A 24 -0.314 -15.824 12.602 1.00 0.23 H new ATOM 0 HB2 ARG A 24 -1.340 -12.974 12.353 1.00 54.14 H new ATOM 0 HB3 ARG A 24 -2.154 -14.217 13.282 1.00 54.14 H new ATOM 0 HG2 ARG A 24 -0.935 -13.185 14.942 1.00 1.12 H new ATOM 0 HG3 ARG A 24 0.173 -14.467 14.491 1.00 1.12 H new ATOM 0 HD2 ARG A 24 1.347 -12.862 12.953 1.00 15.52 H new ATOM 0 HD3 ARG A 24 0.278 -11.588 13.506 1.00 15.52 H new ATOM 0 HE ARG A 24 2.510 -12.805 14.995 1.00 31.04 H new ATOM 0 HH11 ARG A 24 -0.414 -10.806 15.155 1.00 13.14 H new ATOM 0 HH12 ARG A 24 0.087 -10.003 16.646 1.00 13.14 H new ATOM 0 HH21 ARG A 24 3.135 -11.749 16.897 1.00 3.40 H new ATOM 0 HH22 ARG A 24 2.079 -10.533 17.624 1.00 3.40 H new ATOM 399 N LEU A 25 -1.433 -15.003 9.736 1.00 52.11 N ATOM 400 CA LEU A 25 -2.343 -15.331 8.659 1.00 5.21 C ATOM 401 C LEU A 25 -1.912 -16.618 7.984 1.00 71.32 C ATOM 402 O LEU A 25 -0.737 -16.990 8.012 1.00 62.11 O ATOM 403 CB LEU A 25 -2.389 -14.204 7.616 1.00 64.30 C ATOM 404 CG LEU A 25 -3.314 -13.024 7.935 1.00 11.30 C ATOM 405 CD1 LEU A 25 -2.919 -12.351 9.237 1.00 3.22 C ATOM 406 CD2 LEU A 25 -3.295 -12.016 6.799 1.00 54.12 C ATOM 0 H LEU A 25 -0.619 -14.462 9.444 1.00 52.11 H new ATOM 0 HA LEU A 25 -3.337 -15.456 9.087 1.00 5.21 H new ATOM 0 HB2 LEU A 25 -1.378 -13.820 7.482 1.00 64.30 H new ATOM 0 HB3 LEU A 25 -2.697 -14.632 6.662 1.00 64.30 H new ATOM 0 HG LEU A 25 -4.326 -13.413 8.049 1.00 11.30 H new ATOM 0 HD11 LEU A 25 -3.594 -11.518 9.435 1.00 3.22 H new ATOM 0 HD12 LEU A 25 -2.982 -13.071 10.053 1.00 3.22 H new ATOM 0 HD13 LEU A 25 -1.897 -11.979 9.159 1.00 3.22 H new ATOM 0 HD21 LEU A 25 -3.957 -11.184 7.040 1.00 54.12 H new ATOM 0 HD22 LEU A 25 -2.280 -11.644 6.660 1.00 54.12 H new ATOM 0 HD23 LEU A 25 -3.635 -12.496 5.881 1.00 54.12 H new ATOM 418 N GLU A 26 -2.870 -17.301 7.396 1.00 11.10 N ATOM 419 CA GLU A 26 -2.598 -18.480 6.614 1.00 41.03 C ATOM 420 C GLU A 26 -1.907 -18.080 5.313 1.00 3.24 C ATOM 421 O GLU A 26 -2.066 -16.949 4.841 1.00 13.41 O ATOM 422 CB GLU A 26 -3.918 -19.186 6.325 1.00 55.23 C ATOM 423 CG GLU A 26 -3.839 -20.696 6.331 1.00 14.33 C ATOM 424 CD GLU A 26 -3.014 -21.248 5.192 1.00 63.44 C ATOM 425 OE1 GLU A 26 -3.521 -21.289 4.052 1.00 73.43 O ATOM 426 OE2 GLU A 26 -1.845 -21.619 5.422 1.00 20.44 O ATOM 0 H GLU A 26 -3.858 -17.052 7.448 1.00 11.10 H new ATOM 0 HA GLU A 26 -1.939 -19.155 7.160 1.00 41.03 H new ATOM 0 HB2 GLU A 26 -4.653 -18.871 7.066 1.00 55.23 H new ATOM 0 HB3 GLU A 26 -4.285 -18.858 5.352 1.00 55.23 H new ATOM 0 HG2 GLU A 26 -3.411 -21.028 7.277 1.00 14.33 H new ATOM 0 HG3 GLU A 26 -4.847 -21.107 6.275 1.00 14.33 H new ATOM 433 N ILE A 27 -1.161 -19.005 4.737 1.00 53.33 N ATOM 434 CA ILE A 27 -0.460 -18.760 3.481 1.00 63.10 C ATOM 435 C ILE A 27 -1.461 -18.398 2.392 1.00 31.30 C ATOM 436 O ILE A 27 -1.188 -17.561 1.529 1.00 1.40 O ATOM 437 CB ILE A 27 0.352 -19.999 3.041 1.00 12.22 C ATOM 438 CG1 ILE A 27 1.328 -20.412 4.145 1.00 74.35 C ATOM 439 CG2 ILE A 27 1.103 -19.713 1.745 1.00 4.42 C ATOM 440 CD1 ILE A 27 2.110 -21.666 3.823 1.00 15.13 C ATOM 0 H ILE A 27 -1.022 -19.940 5.119 1.00 53.33 H new ATOM 0 HA ILE A 27 0.232 -17.933 3.638 1.00 63.10 H new ATOM 0 HB ILE A 27 -0.340 -20.822 2.862 1.00 12.22 H new ATOM 0 HG12 ILE A 27 2.026 -19.595 4.326 1.00 74.35 H new ATOM 0 HG13 ILE A 27 0.773 -20.567 5.070 1.00 74.35 H new ATOM 0 HG21 ILE A 27 1.669 -20.596 1.450 1.00 4.42 H new ATOM 0 HG22 ILE A 27 0.391 -19.460 0.960 1.00 4.42 H new ATOM 0 HG23 ILE A 27 1.787 -18.878 1.897 1.00 4.42 H new ATOM 0 HD11 ILE A 27 2.781 -21.898 4.650 1.00 15.13 H new ATOM 0 HD12 ILE A 27 1.420 -22.496 3.671 1.00 15.13 H new ATOM 0 HD13 ILE A 27 2.693 -21.508 2.916 1.00 15.13 H new ATOM 452 N GLY A 28 -2.636 -19.021 2.462 1.00 65.23 N ATOM 453 CA GLY A 28 -3.694 -18.750 1.512 1.00 51.44 C ATOM 454 C GLY A 28 -4.109 -17.290 1.491 1.00 74.20 C ATOM 455 O GLY A 28 -4.419 -16.748 0.431 1.00 35.44 O ATOM 0 H GLY A 28 -2.872 -19.716 3.170 1.00 65.23 H new ATOM 0 HA2 GLY A 28 -3.364 -19.043 0.515 1.00 51.44 H new ATOM 0 HA3 GLY A 28 -4.560 -19.365 1.755 1.00 51.44 H new ATOM 459 N THR A 29 -4.111 -16.646 2.651 1.00 31.15 N ATOM 460 CA THR A 29 -4.481 -15.243 2.737 1.00 40.21 C ATOM 461 C THR A 29 -3.317 -14.356 2.301 1.00 4.24 C ATOM 462 O THR A 29 -3.489 -13.433 1.501 1.00 33.43 O ATOM 463 CB THR A 29 -4.903 -14.874 4.172 1.00 24.51 C ATOM 464 OG1 THR A 29 -5.881 -15.810 4.644 1.00 12.34 O ATOM 465 CG2 THR A 29 -5.480 -13.466 4.228 1.00 64.53 C ATOM 0 H THR A 29 -3.861 -17.074 3.543 1.00 31.15 H new ATOM 0 HA THR A 29 -5.327 -15.078 2.069 1.00 40.21 H new ATOM 0 HB THR A 29 -4.018 -14.910 4.808 1.00 24.51 H new ATOM 0 HG1 THR A 29 -6.146 -15.574 5.557 1.00 12.34 H new ATOM 0 HG21 THR A 29 -5.769 -13.232 5.252 1.00 64.53 H new ATOM 0 HG22 THR A 29 -4.729 -12.751 3.891 1.00 64.53 H new ATOM 0 HG23 THR A 29 -6.355 -13.405 3.581 1.00 64.53 H new ATOM 473 N PHE A 30 -2.132 -14.671 2.810 1.00 75.32 N ATOM 474 CA PHE A 30 -0.924 -13.891 2.542 1.00 40.02 C ATOM 475 C PHE A 30 -0.607 -13.799 1.044 1.00 14.44 C ATOM 476 O PHE A 30 -0.285 -12.721 0.538 1.00 13.52 O ATOM 477 CB PHE A 30 0.258 -14.510 3.300 1.00 13.32 C ATOM 478 CG PHE A 30 1.574 -13.818 3.073 1.00 21.24 C ATOM 479 CD1 PHE A 30 1.719 -12.465 3.333 1.00 64.33 C ATOM 480 CD2 PHE A 30 2.671 -14.528 2.609 1.00 24.22 C ATOM 481 CE1 PHE A 30 2.932 -11.832 3.135 1.00 14.23 C ATOM 482 CE2 PHE A 30 3.885 -13.900 2.408 1.00 33.21 C ATOM 483 CZ PHE A 30 4.016 -12.552 2.670 1.00 61.34 C ATOM 0 H PHE A 30 -1.979 -15.474 3.420 1.00 75.32 H new ATOM 0 HA PHE A 30 -1.099 -12.873 2.890 1.00 40.02 H new ATOM 0 HB2 PHE A 30 0.035 -14.499 4.367 1.00 13.32 H new ATOM 0 HB3 PHE A 30 0.355 -15.555 3.005 1.00 13.32 H new ATOM 0 HD1 PHE A 30 0.874 -11.898 3.695 1.00 64.33 H new ATOM 0 HD2 PHE A 30 2.575 -15.584 2.402 1.00 24.22 H new ATOM 0 HE1 PHE A 30 3.032 -10.777 3.343 1.00 14.23 H new ATOM 0 HE2 PHE A 30 4.732 -14.464 2.046 1.00 33.21 H new ATOM 0 HZ PHE A 30 4.964 -12.060 2.512 1.00 61.34 H new ATOM 493 N ARG A 31 -0.721 -14.920 0.335 1.00 44.54 N ATOM 494 CA ARG A 31 -0.368 -14.980 -1.087 1.00 31.33 C ATOM 495 C ARG A 31 -1.221 -14.035 -1.939 1.00 51.11 C ATOM 496 O ARG A 31 -0.826 -13.679 -3.048 1.00 72.42 O ATOM 497 CB ARG A 31 -0.498 -16.412 -1.619 1.00 61.55 C ATOM 498 CG ARG A 31 -1.883 -17.013 -1.437 1.00 71.13 C ATOM 499 CD ARG A 31 -1.952 -18.440 -1.956 1.00 52.53 C ATOM 500 NE ARG A 31 -1.996 -18.497 -3.418 1.00 63.31 N ATOM 501 CZ ARG A 31 -2.651 -19.433 -4.105 1.00 13.12 C ATOM 502 NH1 ARG A 31 -3.342 -20.372 -3.471 1.00 44.41 N ATOM 503 NH2 ARG A 31 -2.613 -19.429 -5.430 1.00 62.33 N ATOM 0 H ARG A 31 -1.056 -15.803 0.721 1.00 44.54 H new ATOM 0 HA ARG A 31 0.670 -14.655 -1.165 1.00 31.33 H new ATOM 0 HB2 ARG A 31 -0.246 -16.420 -2.679 1.00 61.55 H new ATOM 0 HB3 ARG A 31 0.231 -17.045 -1.113 1.00 61.55 H new ATOM 0 HG2 ARG A 31 -2.150 -16.997 -0.380 1.00 71.13 H new ATOM 0 HG3 ARG A 31 -2.617 -16.400 -1.960 1.00 71.13 H new ATOM 0 HD2 ARG A 31 -1.086 -18.997 -1.599 1.00 52.53 H new ATOM 0 HD3 ARG A 31 -2.836 -18.930 -1.549 1.00 52.53 H new ATOM 0 HE ARG A 31 -1.496 -17.778 -3.942 1.00 63.31 H new ATOM 0 HH11 ARG A 31 -3.374 -20.381 -2.452 1.00 44.41 H new ATOM 0 HH12 ARG A 31 -3.841 -21.085 -4.003 1.00 44.41 H new ATOM 0 HH21 ARG A 31 -2.083 -18.710 -5.923 1.00 62.33 H new ATOM 0 HH22 ARG A 31 -3.114 -20.145 -5.957 1.00 62.33 H new ATOM 517 N HIS A 32 -2.381 -13.629 -1.418 1.00 13.54 N ATOM 518 CA HIS A 32 -3.305 -12.768 -2.167 1.00 50.23 C ATOM 519 C HIS A 32 -2.624 -11.494 -2.659 1.00 33.12 C ATOM 520 O HIS A 32 -2.702 -11.160 -3.840 1.00 52.14 O ATOM 521 CB HIS A 32 -4.522 -12.379 -1.318 1.00 74.30 C ATOM 522 CG HIS A 32 -5.652 -13.363 -1.367 1.00 74.20 C ATOM 523 ND1 HIS A 32 -5.979 -14.380 -0.538 1.00 12.34 N flip ATOM 524 CD2 HIS A 32 -6.628 -13.339 -2.337 1.00 34.04 C flip ATOM 525 CE1 HIS A 32 -7.135 -14.948 -1.014 1.00 23.34 C flip ATOM 526 NE2 HIS A 32 -7.504 -14.298 -2.103 1.00 24.43 N flip ATOM 0 H HIS A 32 -2.704 -13.880 -0.484 1.00 13.54 H new ATOM 0 HA HIS A 32 -3.633 -13.351 -3.028 1.00 50.23 H new ATOM 0 HB2 HIS A 32 -4.204 -12.261 -0.282 1.00 74.30 H new ATOM 0 HB3 HIS A 32 -4.887 -11.408 -1.652 1.00 74.30 H new ATOM 0 HD2 HIS A 32 -6.670 -12.643 -3.162 1.00 34.04 H new ATOM 0 HE1 HIS A 32 -7.655 -15.785 -0.572 1.00 23.34 H new ATOM 0 HE2 HIS A 32 -8.328 -14.503 -2.668 1.00 24.43 H new ATOM 535 N HIS A 33 -1.950 -10.790 -1.757 1.00 64.31 N ATOM 536 CA HIS A 33 -1.355 -9.500 -2.096 1.00 61.15 C ATOM 537 C HIS A 33 0.170 -9.598 -2.122 1.00 51.33 C ATOM 538 O HIS A 33 0.863 -8.626 -2.420 1.00 22.03 O ATOM 539 CB HIS A 33 -1.816 -8.428 -1.095 1.00 24.22 C ATOM 540 CG HIS A 33 -1.432 -7.022 -1.464 1.00 33.11 C ATOM 541 ND1 HIS A 33 -2.007 -6.332 -2.508 1.00 75.05 N ATOM 542 CD2 HIS A 33 -0.530 -6.174 -0.909 1.00 40.04 C ATOM 543 CE1 HIS A 33 -1.478 -5.123 -2.578 1.00 75.02 C ATOM 544 NE2 HIS A 33 -0.580 -4.999 -1.620 1.00 0.44 N ATOM 0 H HIS A 33 -1.802 -11.086 -0.792 1.00 64.31 H new ATOM 0 HA HIS A 33 -1.689 -9.212 -3.093 1.00 61.15 H new ATOM 0 HB2 HIS A 33 -2.900 -8.481 -0.999 1.00 24.22 H new ATOM 0 HB3 HIS A 33 -1.398 -8.660 -0.116 1.00 24.22 H new ATOM 0 HD1 HIS A 33 -2.728 -6.697 -3.130 1.00 75.05 H new ATOM 0 HD2 HIS A 33 0.109 -6.384 -0.064 1.00 40.04 H new ATOM 0 HE1 HIS A 33 -1.738 -4.363 -3.300 1.00 75.02 H new ATOM 553 N LYS A 34 0.682 -10.782 -1.827 1.00 72.11 N ATOM 554 CA LYS A 34 2.120 -11.005 -1.777 1.00 41.32 C ATOM 555 C LYS A 34 2.752 -10.876 -3.163 1.00 70.40 C ATOM 556 O LYS A 34 3.716 -10.135 -3.358 1.00 42.31 O ATOM 557 CB LYS A 34 2.416 -12.399 -1.223 1.00 32.23 C ATOM 558 CG LYS A 34 3.899 -12.700 -1.124 1.00 62.14 C ATOM 559 CD LYS A 34 4.174 -14.193 -1.062 1.00 24.21 C ATOM 560 CE LYS A 34 5.666 -14.467 -1.080 1.00 3.01 C ATOM 561 NZ LYS A 34 5.977 -15.901 -1.298 1.00 51.15 N ATOM 0 H LYS A 34 0.121 -11.608 -1.617 1.00 72.11 H new ATOM 0 HA LYS A 34 2.549 -10.245 -1.124 1.00 41.32 H new ATOM 0 HB2 LYS A 34 1.966 -12.493 -0.235 1.00 32.23 H new ATOM 0 HB3 LYS A 34 1.942 -13.145 -1.861 1.00 32.23 H new ATOM 0 HG2 LYS A 34 4.414 -12.272 -1.984 1.00 62.14 H new ATOM 0 HG3 LYS A 34 4.308 -12.219 -0.236 1.00 62.14 H new ATOM 0 HD2 LYS A 34 3.734 -14.611 -0.157 1.00 24.21 H new ATOM 0 HD3 LYS A 34 3.698 -14.690 -1.907 1.00 24.21 H new ATOM 0 HE2 LYS A 34 6.132 -13.874 -1.867 1.00 3.01 H new ATOM 0 HE3 LYS A 34 6.103 -14.143 -0.136 1.00 3.01 H new ATOM 0 HZ1 LYS A 34 7.008 -16.036 -1.302 1.00 51.15 H new ATOM 0 HZ2 LYS A 34 5.557 -16.467 -0.534 1.00 51.15 H new ATOM 0 HZ3 LYS A 34 5.584 -16.206 -2.211 1.00 51.15 H new ATOM 575 N SER A 35 2.194 -11.596 -4.120 1.00 62.53 N ATOM 576 CA SER A 35 2.778 -11.707 -5.448 1.00 75.24 C ATOM 577 C SER A 35 2.325 -10.585 -6.386 1.00 14.15 C ATOM 578 O SER A 35 2.510 -10.673 -7.599 1.00 52.33 O ATOM 579 CB SER A 35 2.416 -13.072 -6.029 1.00 72.41 C ATOM 580 OG SER A 35 1.204 -13.555 -5.458 1.00 1.15 O ATOM 0 H SER A 35 1.326 -12.119 -4.001 1.00 62.53 H new ATOM 0 HA SER A 35 3.860 -11.609 -5.355 1.00 75.24 H new ATOM 0 HB2 SER A 35 2.309 -12.996 -7.111 1.00 72.41 H new ATOM 0 HB3 SER A 35 3.222 -13.780 -5.837 1.00 72.41 H new ATOM 0 HG SER A 35 0.987 -14.430 -5.843 1.00 1.15 H new ATOM 586 N CYS A 36 1.761 -9.522 -5.826 1.00 51.01 N ATOM 587 CA CYS A 36 1.272 -8.411 -6.634 1.00 3.41 C ATOM 588 C CYS A 36 2.422 -7.514 -7.098 1.00 31.23 C ATOM 589 O CYS A 36 2.737 -7.456 -8.290 1.00 75.02 O ATOM 590 CB CYS A 36 0.253 -7.586 -5.847 1.00 45.14 C ATOM 591 SG CYS A 36 -1.177 -8.533 -5.277 1.00 31.11 S ATOM 0 H CYS A 36 1.631 -9.405 -4.821 1.00 51.01 H new ATOM 0 HA CYS A 36 0.788 -8.830 -7.516 1.00 3.41 H new ATOM 0 HB2 CYS A 36 0.749 -7.142 -4.984 1.00 45.14 H new ATOM 0 HB3 CYS A 36 -0.095 -6.764 -6.473 1.00 45.14 H new ATOM 0 HG CYS A 36 -2.077 -7.720 -4.808 1.00 31.11 H new ATOM 597 N MET A 37 3.058 -6.835 -6.145 1.00 51.15 N ATOM 598 CA MET A 37 4.103 -5.859 -6.455 1.00 34.45 C ATOM 599 C MET A 37 5.328 -6.524 -7.076 1.00 21.21 C ATOM 600 O MET A 37 6.028 -5.919 -7.889 1.00 13.42 O ATOM 601 CB MET A 37 4.518 -5.084 -5.195 1.00 12.42 C ATOM 602 CG MET A 37 3.402 -4.242 -4.590 1.00 74.01 C ATOM 603 SD MET A 37 2.178 -5.219 -3.692 1.00 34.33 S ATOM 604 CE MET A 37 3.150 -5.766 -2.291 1.00 10.44 C ATOM 0 H MET A 37 2.868 -6.943 -5.149 1.00 51.15 H new ATOM 0 HA MET A 37 3.686 -5.163 -7.182 1.00 34.45 H new ATOM 0 HB2 MET A 37 4.872 -5.792 -4.446 1.00 12.42 H new ATOM 0 HB3 MET A 37 5.357 -4.434 -5.441 1.00 12.42 H new ATOM 0 HG2 MET A 37 3.837 -3.506 -3.913 1.00 74.01 H new ATOM 0 HG3 MET A 37 2.903 -3.688 -5.385 1.00 74.01 H new ATOM 0 HE1 MET A 37 3.290 -6.846 -2.345 1.00 10.44 H new ATOM 0 HE2 MET A 37 4.122 -5.272 -2.307 1.00 10.44 H new ATOM 0 HE3 MET A 37 2.630 -5.513 -1.367 1.00 10.44 H new ATOM 614 N ARG A 38 5.572 -7.772 -6.696 1.00 1.04 N ATOM 615 CA ARG A 38 6.723 -8.520 -7.184 1.00 3.43 C ATOM 616 C ARG A 38 6.595 -8.865 -8.666 1.00 63.02 C ATOM 617 O ARG A 38 7.587 -8.857 -9.393 1.00 12.01 O ATOM 618 CB ARG A 38 6.891 -9.797 -6.365 1.00 41.53 C ATOM 619 CG ARG A 38 7.614 -9.600 -5.042 1.00 71.21 C ATOM 620 CD ARG A 38 9.111 -9.404 -5.240 1.00 11.21 C ATOM 621 NE ARG A 38 9.485 -8.001 -5.397 1.00 34.03 N ATOM 622 CZ ARG A 38 10.121 -7.506 -6.460 1.00 11.32 C ATOM 623 NH1 ARG A 38 10.304 -8.248 -7.544 1.00 61.45 N ATOM 624 NH2 ARG A 38 10.563 -6.259 -6.443 1.00 44.24 N ATOM 0 H ARG A 38 4.982 -8.291 -6.045 1.00 1.04 H new ATOM 0 HA ARG A 38 7.603 -7.887 -7.070 1.00 3.43 H new ATOM 0 HB2 ARG A 38 5.906 -10.221 -6.168 1.00 41.53 H new ATOM 0 HB3 ARG A 38 7.439 -10.527 -6.960 1.00 41.53 H new ATOM 0 HG2 ARG A 38 7.199 -8.734 -4.526 1.00 71.21 H new ATOM 0 HG3 ARG A 38 7.442 -10.465 -4.401 1.00 71.21 H new ATOM 0 HD2 ARG A 38 9.643 -9.823 -4.386 1.00 11.21 H new ATOM 0 HD3 ARG A 38 9.432 -9.961 -6.120 1.00 11.21 H new ATOM 0 HE ARG A 38 9.244 -7.357 -4.644 1.00 34.03 H new ATOM 0 HH11 ARG A 38 9.957 -9.207 -7.570 1.00 61.45 H new ATOM 0 HH12 ARG A 38 10.792 -7.860 -8.351 1.00 61.45 H new ATOM 0 HH21 ARG A 38 10.417 -5.677 -5.618 1.00 44.24 H new ATOM 0 HH22 ARG A 38 11.049 -5.879 -7.255 1.00 44.24 H new ATOM 638 N LYS A 39 5.380 -9.166 -9.112 1.00 53.50 N ATOM 639 CA LYS A 39 5.156 -9.560 -10.485 1.00 3.11 C ATOM 640 C LYS A 39 5.230 -8.353 -11.413 1.00 23.13 C ATOM 641 O LYS A 39 5.908 -8.384 -12.439 1.00 4.35 O ATOM 642 CB LYS A 39 3.786 -10.210 -10.600 1.00 23.15 C ATOM 643 CG LYS A 39 3.478 -10.720 -11.986 1.00 14.14 C ATOM 644 CD LYS A 39 2.019 -10.521 -12.320 1.00 1.22 C ATOM 645 CE LYS A 39 1.678 -9.045 -12.495 1.00 33.31 C ATOM 646 NZ LYS A 39 0.285 -8.842 -12.972 1.00 74.54 N ATOM 0 H LYS A 39 4.538 -9.142 -8.536 1.00 53.50 H new ATOM 0 HA LYS A 39 5.931 -10.268 -10.780 1.00 3.11 H new ATOM 0 HB2 LYS A 39 3.725 -11.039 -9.894 1.00 23.15 H new ATOM 0 HB3 LYS A 39 3.024 -9.487 -10.309 1.00 23.15 H new ATOM 0 HG2 LYS A 39 4.097 -10.198 -12.716 1.00 14.14 H new ATOM 0 HG3 LYS A 39 3.730 -11.778 -12.053 1.00 14.14 H new ATOM 0 HD2 LYS A 39 1.778 -11.061 -13.235 1.00 1.22 H new ATOM 0 HD3 LYS A 39 1.403 -10.946 -11.528 1.00 1.22 H new ATOM 0 HE2 LYS A 39 1.814 -8.528 -11.545 1.00 33.31 H new ATOM 0 HE3 LYS A 39 2.372 -8.595 -13.205 1.00 33.31 H new ATOM 0 HZ1 LYS A 39 0.099 -7.824 -13.076 1.00 74.54 H new ATOM 0 HZ2 LYS A 39 0.161 -9.313 -13.891 1.00 74.54 H new ATOM 0 HZ3 LYS A 39 -0.380 -9.247 -12.283 1.00 74.54 H new ATOM 660 N PHE A 40 4.532 -7.288 -11.034 1.00 73.24 N ATOM 661 CA PHE A 40 4.444 -6.092 -11.863 1.00 63.23 C ATOM 662 C PHE A 40 5.764 -5.326 -11.861 1.00 63.53 C ATOM 663 O PHE A 40 6.044 -4.551 -12.780 1.00 5.11 O ATOM 664 CB PHE A 40 3.312 -5.188 -11.364 1.00 22.22 C ATOM 665 CG PHE A 40 3.093 -3.964 -12.209 1.00 64.33 C ATOM 666 CD1 PHE A 40 2.490 -4.063 -13.453 1.00 1.43 C ATOM 667 CD2 PHE A 40 3.498 -2.715 -11.763 1.00 74.44 C ATOM 668 CE1 PHE A 40 2.294 -2.940 -14.235 1.00 10.20 C ATOM 669 CE2 PHE A 40 3.304 -1.589 -12.541 1.00 61.15 C ATOM 670 CZ PHE A 40 2.702 -1.702 -13.778 1.00 2.43 C ATOM 0 H PHE A 40 4.018 -7.229 -10.155 1.00 73.24 H new ATOM 0 HA PHE A 40 4.231 -6.402 -12.886 1.00 63.23 H new ATOM 0 HB2 PHE A 40 2.388 -5.765 -11.331 1.00 22.22 H new ATOM 0 HB3 PHE A 40 3.531 -4.878 -10.342 1.00 22.22 H new ATOM 0 HD1 PHE A 40 2.170 -5.029 -13.816 1.00 1.43 H new ATOM 0 HD2 PHE A 40 3.971 -2.621 -10.796 1.00 74.44 H new ATOM 0 HE1 PHE A 40 1.822 -3.031 -15.202 1.00 10.20 H new ATOM 0 HE2 PHE A 40 3.623 -0.622 -12.181 1.00 61.15 H new ATOM 0 HZ PHE A 40 2.550 -0.824 -14.388 1.00 2.43 H new ATOM 680 N LYS A 41 6.569 -5.583 -10.833 1.00 5.23 N ATOM 681 CA LYS A 41 7.821 -4.866 -10.601 1.00 4.05 C ATOM 682 C LYS A 41 7.536 -3.416 -10.239 1.00 44.13 C ATOM 683 O LYS A 41 7.728 -2.507 -11.049 1.00 12.52 O ATOM 684 CB LYS A 41 8.765 -4.927 -11.808 1.00 21.12 C ATOM 685 CG LYS A 41 9.195 -6.329 -12.204 1.00 14.20 C ATOM 686 CD LYS A 41 10.251 -6.281 -13.297 1.00 3.32 C ATOM 687 CE LYS A 41 10.565 -7.662 -13.844 1.00 14.11 C ATOM 688 NZ LYS A 41 9.382 -8.281 -14.497 1.00 75.43 N ATOM 0 H LYS A 41 6.370 -6.298 -10.134 1.00 5.23 H new ATOM 0 HA LYS A 41 8.324 -5.362 -9.771 1.00 4.05 H new ATOM 0 HB2 LYS A 41 8.274 -4.457 -12.660 1.00 21.12 H new ATOM 0 HB3 LYS A 41 9.655 -4.337 -11.587 1.00 21.12 H new ATOM 0 HG2 LYS A 41 9.590 -6.853 -11.333 1.00 14.20 H new ATOM 0 HG3 LYS A 41 8.331 -6.895 -12.552 1.00 14.20 H new ATOM 0 HD2 LYS A 41 9.905 -5.640 -14.108 1.00 3.32 H new ATOM 0 HD3 LYS A 41 11.162 -5.832 -12.902 1.00 3.32 H new ATOM 0 HE2 LYS A 41 11.381 -7.591 -14.563 1.00 14.11 H new ATOM 0 HE3 LYS A 41 10.910 -8.304 -13.033 1.00 14.11 H new ATOM 0 HZ1 LYS A 41 9.641 -8.602 -15.452 1.00 75.43 H new ATOM 0 HZ2 LYS A 41 9.060 -9.094 -13.934 1.00 75.43 H new ATOM 0 HZ3 LYS A 41 8.616 -7.581 -14.563 1.00 75.43 H new ATOM 702 N GLU A 42 7.033 -3.218 -9.034 1.00 14.34 N ATOM 703 CA GLU A 42 6.754 -1.885 -8.529 1.00 53.34 C ATOM 704 C GLU A 42 8.054 -1.154 -8.223 1.00 0.24 C ATOM 705 O GLU A 42 8.875 -1.628 -7.434 1.00 72.24 O ATOM 706 CB GLU A 42 5.894 -1.975 -7.270 1.00 65.40 C ATOM 707 CG GLU A 42 4.452 -2.364 -7.542 1.00 31.21 C ATOM 708 CD GLU A 42 3.622 -1.196 -8.030 1.00 22.12 C ATOM 709 OE1 GLU A 42 3.790 -0.785 -9.195 1.00 22.12 O ATOM 710 OE2 GLU A 42 2.818 -0.669 -7.233 1.00 23.22 O ATOM 0 H GLU A 42 6.808 -3.969 -8.382 1.00 14.34 H new ATOM 0 HA GLU A 42 6.211 -1.326 -9.291 1.00 53.34 H new ATOM 0 HB2 GLU A 42 6.336 -2.704 -6.590 1.00 65.40 H new ATOM 0 HB3 GLU A 42 5.911 -1.012 -6.759 1.00 65.40 H new ATOM 0 HG2 GLU A 42 4.427 -3.160 -8.286 1.00 31.21 H new ATOM 0 HG3 GLU A 42 4.009 -2.766 -6.631 1.00 31.21 H new ATOM 717 N TYR A 43 8.244 -0.006 -8.854 1.00 71.33 N ATOM 718 CA TYR A 43 9.432 0.801 -8.630 1.00 34.24 C ATOM 719 C TYR A 43 9.054 2.214 -8.230 1.00 63.20 C ATOM 720 O TYR A 43 8.152 2.818 -8.809 1.00 53.11 O ATOM 721 CB TYR A 43 10.315 0.837 -9.877 1.00 74.24 C ATOM 722 CG TYR A 43 10.973 -0.485 -10.192 1.00 44.33 C ATOM 723 CD1 TYR A 43 11.940 -1.014 -9.347 1.00 51.23 C ATOM 724 CD2 TYR A 43 10.627 -1.207 -11.328 1.00 23.00 C ATOM 725 CE1 TYR A 43 12.544 -2.223 -9.626 1.00 12.14 C ATOM 726 CE2 TYR A 43 11.228 -2.419 -11.613 1.00 31.21 C ATOM 727 CZ TYR A 43 12.186 -2.921 -10.758 1.00 4.21 C ATOM 728 OH TYR A 43 12.787 -4.128 -11.032 1.00 40.32 O ATOM 0 H TYR A 43 7.588 0.389 -9.528 1.00 71.33 H new ATOM 0 HA TYR A 43 9.994 0.341 -7.818 1.00 34.24 H new ATOM 0 HB2 TYR A 43 9.711 1.145 -10.731 1.00 74.24 H new ATOM 0 HB3 TYR A 43 11.087 1.595 -9.743 1.00 74.24 H new ATOM 0 HD1 TYR A 43 12.224 -0.471 -8.458 1.00 51.23 H new ATOM 0 HD2 TYR A 43 9.877 -0.815 -11.999 1.00 23.00 H new ATOM 0 HE1 TYR A 43 13.295 -2.620 -8.959 1.00 12.14 H new ATOM 0 HE2 TYR A 43 10.949 -2.969 -12.500 1.00 31.21 H new ATOM 0 HH TYR A 43 13.040 -4.566 -10.192 1.00 40.32 H new ATOM 738 N CYS A 44 9.742 2.729 -7.228 1.00 1.35 N ATOM 739 CA CYS A 44 9.519 4.085 -6.760 1.00 23.44 C ATOM 740 C CYS A 44 10.850 4.714 -6.392 1.00 74.44 C ATOM 741 O CYS A 44 11.335 4.551 -5.273 1.00 74.01 O ATOM 742 CB CYS A 44 8.578 4.098 -5.548 1.00 71.54 C ATOM 743 SG CYS A 44 6.979 3.302 -5.837 1.00 44.43 S ATOM 0 H CYS A 44 10.467 2.223 -6.718 1.00 1.35 H new ATOM 0 HA CYS A 44 9.050 4.660 -7.558 1.00 23.44 H new ATOM 0 HB2 CYS A 44 9.073 3.601 -4.714 1.00 71.54 H new ATOM 0 HB3 CYS A 44 8.407 5.132 -5.247 1.00 71.54 H new ATOM 0 HG CYS A 44 6.847 3.040 -7.104 1.00 44.43 H new ATOM 749 N GLU A 45 11.456 5.409 -7.341 1.00 60.34 N ATOM 750 CA GLU A 45 12.748 6.038 -7.113 1.00 23.32 C ATOM 751 C GLU A 45 12.542 7.459 -6.609 1.00 45.12 C ATOM 752 O GLU A 45 13.178 8.407 -7.070 1.00 35.24 O ATOM 753 CB GLU A 45 13.578 6.032 -8.396 1.00 71.34 C ATOM 754 CG GLU A 45 15.030 5.637 -8.174 1.00 12.31 C ATOM 755 CD GLU A 45 15.753 6.551 -7.205 1.00 3.55 C ATOM 756 OE1 GLU A 45 15.600 6.372 -5.977 1.00 2.25 O ATOM 757 OE2 GLU A 45 16.487 7.451 -7.667 1.00 42.25 O ATOM 0 H GLU A 45 11.075 5.552 -8.276 1.00 60.34 H new ATOM 0 HA GLU A 45 13.294 5.473 -6.357 1.00 23.32 H new ATOM 0 HB2 GLU A 45 13.126 5.342 -9.109 1.00 71.34 H new ATOM 0 HB3 GLU A 45 13.544 7.024 -8.847 1.00 71.34 H new ATOM 0 HG2 GLU A 45 15.069 4.615 -7.798 1.00 12.31 H new ATOM 0 HG3 GLU A 45 15.553 5.645 -9.130 1.00 12.31 H new ATOM 764 N GLY A 46 11.650 7.587 -5.645 1.00 24.45 N ATOM 765 CA GLY A 46 11.321 8.871 -5.086 1.00 2.42 C ATOM 766 C GLY A 46 10.221 8.745 -4.064 1.00 33.24 C ATOM 767 O GLY A 46 10.309 7.911 -3.166 1.00 75.03 O ATOM 0 H GLY A 46 11.140 6.805 -5.234 1.00 24.45 H new ATOM 0 HA2 GLY A 46 12.205 9.308 -4.623 1.00 2.42 H new ATOM 0 HA3 GLY A 46 11.009 9.549 -5.880 1.00 2.42 H new ATOM 771 N LEU A 47 9.174 9.540 -4.241 1.00 42.03 N ATOM 772 CA LEU A 47 8.051 9.611 -3.305 1.00 25.32 C ATOM 773 C LEU A 47 8.513 10.200 -1.977 1.00 32.34 C ATOM 774 O LEU A 47 9.387 9.667 -1.299 1.00 64.14 O ATOM 775 CB LEU A 47 7.386 8.236 -3.108 1.00 73.42 C ATOM 776 CG LEU A 47 6.014 8.244 -2.410 1.00 43.20 C ATOM 777 CD1 LEU A 47 6.147 8.420 -0.905 1.00 22.22 C ATOM 778 CD2 LEU A 47 5.121 9.331 -2.990 1.00 72.53 C ATOM 0 H LEU A 47 9.076 10.161 -5.044 1.00 42.03 H new ATOM 0 HA LEU A 47 7.294 10.269 -3.731 1.00 25.32 H new ATOM 0 HB2 LEU A 47 7.272 7.766 -4.085 1.00 73.42 H new ATOM 0 HB3 LEU A 47 8.062 7.607 -2.529 1.00 73.42 H new ATOM 0 HG LEU A 47 5.553 7.273 -2.592 1.00 43.20 H new ATOM 0 HD11 LEU A 47 5.157 8.420 -0.450 1.00 22.22 H new ATOM 0 HD12 LEU A 47 6.735 7.600 -0.493 1.00 22.22 H new ATOM 0 HD13 LEU A 47 6.645 9.366 -0.692 1.00 22.22 H new ATOM 0 HD21 LEU A 47 4.157 9.319 -2.482 1.00 72.53 H new ATOM 0 HD22 LEU A 47 5.593 10.303 -2.849 1.00 72.53 H new ATOM 0 HD23 LEU A 47 4.973 9.151 -4.055 1.00 72.53 H new ATOM 790 N GLN A 48 7.917 11.313 -1.614 1.00 35.34 N ATOM 791 CA GLN A 48 8.325 12.045 -0.438 1.00 24.40 C ATOM 792 C GLN A 48 7.241 11.964 0.628 1.00 42.33 C ATOM 793 O GLN A 48 6.113 11.560 0.341 1.00 24.14 O ATOM 794 CB GLN A 48 8.590 13.499 -0.807 1.00 62.55 C ATOM 795 CG GLN A 48 9.611 13.679 -1.925 1.00 52.24 C ATOM 796 CD GLN A 48 11.000 13.186 -1.556 1.00 15.43 C ATOM 797 OE1 GLN A 48 11.281 11.924 -1.844 1.00 21.35 O flip ATOM 798 NE2 GLN A 48 11.812 13.934 -1.014 1.00 42.20 N flip ATOM 0 H GLN A 48 7.140 11.734 -2.123 1.00 35.34 H new ATOM 0 HA GLN A 48 9.240 11.605 -0.041 1.00 24.40 H new ATOM 0 HB2 GLN A 48 7.651 13.964 -1.108 1.00 62.55 H new ATOM 0 HB3 GLN A 48 8.939 14.030 0.079 1.00 62.55 H new ATOM 0 HG2 GLN A 48 9.267 13.145 -2.811 1.00 52.24 H new ATOM 0 HG3 GLN A 48 9.666 14.735 -2.190 1.00 52.24 H new ATOM 0 HE21 GLN A 48 11.557 14.900 -0.809 1.00 42.20 H new ATOM 0 HE22 GLN A 48 12.740 13.588 -0.770 1.00 42.20 H new ATOM 807 N PHE A 49 7.574 12.372 1.846 1.00 24.12 N ATOM 808 CA PHE A 49 6.637 12.284 2.962 1.00 23.01 C ATOM 809 C PHE A 49 5.409 13.155 2.715 1.00 1.21 C ATOM 810 O PHE A 49 4.292 12.763 3.028 1.00 44.45 O ATOM 811 CB PHE A 49 7.322 12.670 4.282 1.00 20.32 C ATOM 812 CG PHE A 49 7.787 14.103 4.366 1.00 1.44 C ATOM 813 CD1 PHE A 49 9.003 14.486 3.821 1.00 42.51 C ATOM 814 CD2 PHE A 49 7.010 15.063 5.002 1.00 2.20 C ATOM 815 CE1 PHE A 49 9.433 15.796 3.903 1.00 11.40 C ATOM 816 CE2 PHE A 49 7.437 16.375 5.084 1.00 1.11 C ATOM 817 CZ PHE A 49 8.649 16.742 4.535 1.00 21.02 C ATOM 0 H PHE A 49 8.483 12.766 2.087 1.00 24.12 H new ATOM 0 HA PHE A 49 6.305 11.249 3.041 1.00 23.01 H new ATOM 0 HB2 PHE A 49 6.629 12.480 5.102 1.00 20.32 H new ATOM 0 HB3 PHE A 49 8.181 12.016 4.433 1.00 20.32 H new ATOM 0 HD1 PHE A 49 9.621 13.751 3.327 1.00 42.51 H new ATOM 0 HD2 PHE A 49 6.062 14.781 5.437 1.00 2.20 H new ATOM 0 HE1 PHE A 49 10.382 16.081 3.473 1.00 11.40 H new ATOM 0 HE2 PHE A 49 6.822 17.113 5.578 1.00 1.11 H new ATOM 0 HZ PHE A 49 8.984 17.767 4.599 1.00 21.02 H new ATOM 827 N HIS A 50 5.624 14.326 2.129 1.00 3.34 N ATOM 828 CA HIS A 50 4.528 15.244 1.825 1.00 52.44 C ATOM 829 C HIS A 50 4.006 15.007 0.404 1.00 21.34 C ATOM 830 O HIS A 50 3.159 15.745 -0.091 1.00 24.33 O ATOM 831 CB HIS A 50 4.984 16.701 2.003 1.00 44.21 C ATOM 832 CG HIS A 50 3.874 17.706 1.877 1.00 24.02 C ATOM 833 ND1 HIS A 50 3.911 18.769 1.003 1.00 23.42 N ATOM 834 CD2 HIS A 50 2.683 17.792 2.516 1.00 35.01 C ATOM 835 CE1 HIS A 50 2.796 19.463 1.111 1.00 74.53 C ATOM 836 NE2 HIS A 50 2.029 18.894 2.022 1.00 63.04 N ATOM 0 H HIS A 50 6.546 14.665 1.854 1.00 3.34 H new ATOM 0 HA HIS A 50 3.712 15.053 2.522 1.00 52.44 H new ATOM 0 HB2 HIS A 50 5.449 16.809 2.983 1.00 44.21 H new ATOM 0 HB3 HIS A 50 5.750 16.925 1.260 1.00 44.21 H new ATOM 0 HD2 HIS A 50 2.315 17.118 3.275 1.00 35.01 H new ATOM 0 HE1 HIS A 50 2.550 20.351 0.547 1.00 74.53 H new ATOM 0 HE2 HIS A 50 1.106 19.218 2.311 1.00 63.04 H new ATOM 845 N GLU A 51 4.504 13.964 -0.244 1.00 75.21 N ATOM 846 CA GLU A 51 4.048 13.621 -1.585 1.00 34.23 C ATOM 847 C GLU A 51 2.935 12.587 -1.517 1.00 50.41 C ATOM 848 O GLU A 51 2.072 12.526 -2.392 1.00 13.25 O ATOM 849 CB GLU A 51 5.202 13.096 -2.433 1.00 24.32 C ATOM 850 CG GLU A 51 5.068 13.435 -3.907 1.00 53.22 C ATOM 851 CD GLU A 51 6.280 13.023 -4.712 1.00 12.44 C ATOM 852 OE1 GLU A 51 6.438 11.819 -4.991 1.00 63.11 O ATOM 853 OE2 GLU A 51 7.079 13.907 -5.077 1.00 1.44 O ATOM 0 H GLU A 51 5.220 13.343 0.133 1.00 75.21 H new ATOM 0 HA GLU A 51 3.661 14.526 -2.054 1.00 34.23 H new ATOM 0 HB2 GLU A 51 6.138 13.509 -2.056 1.00 24.32 H new ATOM 0 HB3 GLU A 51 5.263 12.014 -2.321 1.00 24.32 H new ATOM 0 HG2 GLU A 51 4.184 12.941 -4.310 1.00 53.22 H new ATOM 0 HG3 GLU A 51 4.912 14.508 -4.016 1.00 53.22 H new ATOM 860 N LEU A 52 2.959 11.778 -0.467 1.00 25.23 N ATOM 861 CA LEU A 52 1.922 10.786 -0.252 1.00 75.01 C ATOM 862 C LEU A 52 0.694 11.472 0.334 1.00 61.44 C ATOM 863 O LEU A 52 0.514 11.526 1.549 1.00 52.54 O ATOM 864 CB LEU A 52 2.433 9.676 0.675 1.00 2.12 C ATOM 865 CG LEU A 52 1.729 8.317 0.555 1.00 72.31 C ATOM 866 CD1 LEU A 52 0.292 8.382 1.054 1.00 15.24 C ATOM 867 CD2 LEU A 52 1.773 7.819 -0.882 1.00 73.42 C ATOM 0 H LEU A 52 3.687 11.791 0.248 1.00 25.23 H new ATOM 0 HA LEU A 52 1.649 10.323 -1.200 1.00 75.01 H new ATOM 0 HB2 LEU A 52 3.496 9.530 0.482 1.00 2.12 H new ATOM 0 HB3 LEU A 52 2.341 10.020 1.705 1.00 2.12 H new ATOM 0 HG LEU A 52 2.266 7.611 1.188 1.00 72.31 H new ATOM 0 HD11 LEU A 52 -0.173 7.401 0.953 1.00 15.24 H new ATOM 0 HD12 LEU A 52 0.284 8.681 2.102 1.00 15.24 H new ATOM 0 HD13 LEU A 52 -0.265 9.110 0.465 1.00 15.24 H new ATOM 0 HD21 LEU A 52 1.269 6.855 -0.948 1.00 73.42 H new ATOM 0 HD22 LEU A 52 1.271 8.536 -1.531 1.00 73.42 H new ATOM 0 HD23 LEU A 52 2.811 7.709 -1.197 1.00 73.42 H new ATOM 879 N THR A 53 -0.124 12.029 -0.542 1.00 52.02 N ATOM 880 CA THR A 53 -1.285 12.796 -0.126 1.00 11.41 C ATOM 881 C THR A 53 -2.547 12.317 -0.837 1.00 34.14 C ATOM 882 O THR A 53 -2.511 11.345 -1.594 1.00 21.20 O ATOM 883 CB THR A 53 -1.076 14.294 -0.418 1.00 20.12 C ATOM 884 OG1 THR A 53 -0.654 14.465 -1.778 1.00 51.34 O ATOM 885 CG2 THR A 53 -0.041 14.899 0.520 1.00 11.41 C ATOM 0 H THR A 53 -0.004 11.963 -1.553 1.00 52.02 H new ATOM 0 HA THR A 53 -1.408 12.648 0.947 1.00 11.41 H new ATOM 0 HB THR A 53 -2.023 14.809 -0.257 1.00 20.12 H new ATOM 0 HG1 THR A 53 -0.523 15.419 -1.962 1.00 51.34 H new ATOM 0 HG21 THR A 53 0.085 15.957 0.289 1.00 11.41 H new ATOM 0 HG22 THR A 53 -0.377 14.790 1.551 1.00 11.41 H new ATOM 0 HG23 THR A 53 0.911 14.384 0.392 1.00 11.41 H new ATOM 893 N GLU A 54 -3.658 13.010 -0.595 1.00 71.10 N ATOM 894 CA GLU A 54 -4.944 12.660 -1.192 1.00 11.53 C ATOM 895 C GLU A 54 -4.843 12.661 -2.715 1.00 63.34 C ATOM 896 O GLU A 54 -5.367 11.769 -3.382 1.00 43.10 O ATOM 897 CB GLU A 54 -6.016 13.648 -0.706 1.00 71.41 C ATOM 898 CG GLU A 54 -7.428 13.377 -1.218 1.00 15.42 C ATOM 899 CD GLU A 54 -7.744 14.092 -2.518 1.00 14.41 C ATOM 900 OE1 GLU A 54 -7.746 15.342 -2.528 1.00 62.21 O ATOM 901 OE2 GLU A 54 -8.018 13.412 -3.527 1.00 65.13 O ATOM 0 H GLU A 54 -3.692 13.825 0.017 1.00 71.10 H new ATOM 0 HA GLU A 54 -5.228 11.654 -0.881 1.00 11.53 H new ATOM 0 HB2 GLU A 54 -6.033 13.634 0.384 1.00 71.41 H new ATOM 0 HB3 GLU A 54 -5.724 14.654 -1.008 1.00 71.41 H new ATOM 0 HG2 GLU A 54 -7.555 12.304 -1.362 1.00 15.42 H new ATOM 0 HG3 GLU A 54 -8.147 13.684 -0.459 1.00 15.42 H new ATOM 908 N ASP A 55 -4.131 13.650 -3.247 1.00 72.13 N ATOM 909 CA ASP A 55 -3.950 13.787 -4.689 1.00 30.13 C ATOM 910 C ASP A 55 -3.255 12.563 -5.273 1.00 3.10 C ATOM 911 O ASP A 55 -3.667 12.033 -6.306 1.00 31.40 O ATOM 912 CB ASP A 55 -3.133 15.040 -5.005 1.00 33.03 C ATOM 913 CG ASP A 55 -2.966 15.261 -6.492 1.00 0.14 C ATOM 914 OD1 ASP A 55 -3.882 15.835 -7.116 1.00 64.11 O ATOM 915 OD2 ASP A 55 -1.916 14.869 -7.044 1.00 22.11 O ATOM 0 H ASP A 55 -3.667 14.373 -2.697 1.00 72.13 H new ATOM 0 HA ASP A 55 -4.937 13.875 -5.142 1.00 30.13 H new ATOM 0 HB2 ASP A 55 -3.621 15.909 -4.564 1.00 33.03 H new ATOM 0 HB3 ASP A 55 -2.150 14.956 -4.540 1.00 33.03 H new ATOM 920 N PHE A 56 -2.204 12.108 -4.597 1.00 71.11 N ATOM 921 CA PHE A 56 -1.447 10.951 -5.059 1.00 72.02 C ATOM 922 C PHE A 56 -2.323 9.702 -5.041 1.00 14.51 C ATOM 923 O PHE A 56 -2.345 8.935 -6.003 1.00 21.23 O ATOM 924 CB PHE A 56 -0.203 10.742 -4.187 1.00 31.33 C ATOM 925 CG PHE A 56 0.734 9.685 -4.708 1.00 75.35 C ATOM 926 CD1 PHE A 56 1.724 10.010 -5.623 1.00 62.22 C ATOM 927 CD2 PHE A 56 0.626 8.369 -4.286 1.00 21.20 C ATOM 928 CE1 PHE A 56 2.586 9.043 -6.106 1.00 21.12 C ATOM 929 CE2 PHE A 56 1.485 7.398 -4.764 1.00 35.41 C ATOM 930 CZ PHE A 56 2.466 7.734 -5.676 1.00 1.22 C ATOM 0 H PHE A 56 -1.859 12.522 -3.731 1.00 71.11 H new ATOM 0 HA PHE A 56 -1.125 11.135 -6.084 1.00 72.02 H new ATOM 0 HB2 PHE A 56 0.337 11.686 -4.108 1.00 31.33 H new ATOM 0 HB3 PHE A 56 -0.518 10.470 -3.180 1.00 31.33 H new ATOM 0 HD1 PHE A 56 1.823 11.031 -5.962 1.00 62.22 H new ATOM 0 HD2 PHE A 56 -0.140 8.099 -3.574 1.00 21.20 H new ATOM 0 HE1 PHE A 56 3.353 9.310 -6.819 1.00 21.12 H new ATOM 0 HE2 PHE A 56 1.389 6.377 -4.425 1.00 35.41 H new ATOM 0 HZ PHE A 56 3.138 6.977 -6.052 1.00 1.22 H new ATOM 940 N LEU A 57 -3.051 9.511 -3.945 1.00 21.34 N ATOM 941 CA LEU A 57 -3.951 8.373 -3.809 1.00 12.15 C ATOM 942 C LEU A 57 -5.017 8.392 -4.898 1.00 71.12 C ATOM 943 O LEU A 57 -5.280 7.376 -5.533 1.00 41.50 O ATOM 944 CB LEU A 57 -4.612 8.383 -2.426 1.00 54.30 C ATOM 945 CG LEU A 57 -3.807 7.739 -1.290 1.00 31.33 C ATOM 946 CD1 LEU A 57 -3.717 6.234 -1.486 1.00 41.24 C ATOM 947 CD2 LEU A 57 -2.415 8.339 -1.182 1.00 23.22 C ATOM 0 H LEU A 57 -3.034 10.132 -3.136 1.00 21.34 H new ATOM 0 HA LEU A 57 -3.365 7.460 -3.917 1.00 12.15 H new ATOM 0 HB2 LEU A 57 -4.823 9.417 -2.154 1.00 54.30 H new ATOM 0 HB3 LEU A 57 -5.571 7.871 -2.500 1.00 54.30 H new ATOM 0 HG LEU A 57 -4.333 7.944 -0.358 1.00 31.33 H new ATOM 0 HD11 LEU A 57 -3.142 5.795 -0.671 1.00 41.24 H new ATOM 0 HD12 LEU A 57 -4.720 5.808 -1.494 1.00 41.24 H new ATOM 0 HD13 LEU A 57 -3.224 6.019 -2.434 1.00 41.24 H new ATOM 0 HD21 LEU A 57 -1.874 7.859 -0.367 1.00 23.22 H new ATOM 0 HD22 LEU A 57 -1.877 8.181 -2.117 1.00 23.22 H new ATOM 0 HD23 LEU A 57 -2.494 9.408 -0.985 1.00 23.22 H new ATOM 959 N ARG A 58 -5.610 9.559 -5.120 1.00 40.14 N ATOM 960 CA ARG A 58 -6.662 9.714 -6.117 1.00 22.21 C ATOM 961 C ARG A 58 -6.152 9.372 -7.516 1.00 44.14 C ATOM 962 O ARG A 58 -6.788 8.613 -8.248 1.00 42.32 O ATOM 963 CB ARG A 58 -7.214 11.147 -6.067 1.00 31.15 C ATOM 964 CG ARG A 58 -8.224 11.481 -7.157 1.00 45.13 C ATOM 965 CD ARG A 58 -7.564 12.178 -8.338 1.00 14.43 C ATOM 966 NE ARG A 58 -8.525 12.525 -9.385 1.00 50.34 N ATOM 967 CZ ARG A 58 -8.288 13.420 -10.346 1.00 62.43 C ATOM 968 NH1 ARG A 58 -7.145 14.093 -10.372 1.00 34.32 N ATOM 969 NH2 ARG A 58 -9.205 13.661 -11.274 1.00 70.21 N ATOM 0 H ARG A 58 -5.378 10.417 -4.619 1.00 40.14 H new ATOM 0 HA ARG A 58 -7.468 9.017 -5.887 1.00 22.21 H new ATOM 0 HB2 ARG A 58 -7.682 11.307 -5.096 1.00 31.15 H new ATOM 0 HB3 ARG A 58 -6.380 11.845 -6.138 1.00 31.15 H new ATOM 0 HG2 ARG A 58 -8.708 10.566 -7.498 1.00 45.13 H new ATOM 0 HG3 ARG A 58 -9.005 12.121 -6.746 1.00 45.13 H new ATOM 0 HD2 ARG A 58 -7.066 13.083 -7.991 1.00 14.43 H new ATOM 0 HD3 ARG A 58 -6.793 11.530 -8.755 1.00 14.43 H new ATOM 0 HE ARG A 58 -9.430 12.055 -9.380 1.00 50.34 H new ATOM 0 HH11 ARG A 58 -6.440 13.928 -9.654 1.00 34.32 H new ATOM 0 HH12 ARG A 58 -6.972 14.775 -11.110 1.00 34.32 H new ATOM 0 HH21 ARG A 58 -10.094 13.162 -11.254 1.00 70.21 H new ATOM 0 HH22 ARG A 58 -9.021 14.346 -12.007 1.00 70.21 H new ATOM 983 N ASP A 59 -5.003 9.928 -7.873 1.00 65.31 N ATOM 984 CA ASP A 59 -4.435 9.730 -9.205 1.00 13.23 C ATOM 985 C ASP A 59 -4.006 8.279 -9.413 1.00 1.42 C ATOM 986 O ASP A 59 -4.277 7.681 -10.457 1.00 1.32 O ATOM 987 CB ASP A 59 -3.245 10.669 -9.414 1.00 2.30 C ATOM 988 CG ASP A 59 -2.648 10.555 -10.803 1.00 32.40 C ATOM 989 OD1 ASP A 59 -3.152 11.225 -11.730 1.00 1.21 O ATOM 990 OD2 ASP A 59 -1.662 9.814 -10.975 1.00 5.34 O ATOM 0 H ASP A 59 -4.443 10.521 -7.260 1.00 65.31 H new ATOM 0 HA ASP A 59 -5.206 9.961 -9.940 1.00 13.23 H new ATOM 0 HB2 ASP A 59 -3.564 11.697 -9.243 1.00 2.30 H new ATOM 0 HB3 ASP A 59 -2.477 10.446 -8.673 1.00 2.30 H new ATOM 995 N TYR A 60 -3.358 7.709 -8.404 1.00 43.12 N ATOM 996 CA TYR A 60 -2.842 6.348 -8.494 1.00 41.32 C ATOM 997 C TYR A 60 -3.989 5.341 -8.506 1.00 73.24 C ATOM 998 O TYR A 60 -3.903 4.294 -9.146 1.00 34.43 O ATOM 999 CB TYR A 60 -1.899 6.060 -7.325 1.00 12.12 C ATOM 1000 CG TYR A 60 -0.806 5.066 -7.657 1.00 20.43 C ATOM 1001 CD1 TYR A 60 0.360 5.485 -8.289 1.00 1.14 C ATOM 1002 CD2 TYR A 60 -0.930 3.720 -7.338 1.00 11.04 C ATOM 1003 CE1 TYR A 60 1.370 4.591 -8.596 1.00 75.22 C ATOM 1004 CE2 TYR A 60 0.078 2.818 -7.639 1.00 51.35 C ATOM 1005 CZ TYR A 60 1.226 3.259 -8.269 1.00 34.44 C ATOM 1006 OH TYR A 60 2.243 2.370 -8.563 1.00 52.30 O ATOM 0 H TYR A 60 -3.177 8.169 -7.512 1.00 43.12 H new ATOM 0 HA TYR A 60 -2.285 6.251 -9.426 1.00 41.32 H new ATOM 0 HB2 TYR A 60 -1.442 6.994 -6.999 1.00 12.12 H new ATOM 0 HB3 TYR A 60 -2.481 5.680 -6.485 1.00 12.12 H new ATOM 0 HD1 TYR A 60 0.479 6.528 -8.545 1.00 1.14 H new ATOM 0 HD2 TYR A 60 -1.826 3.371 -6.847 1.00 11.04 H new ATOM 0 HE1 TYR A 60 2.267 4.935 -9.089 1.00 75.22 H new ATOM 0 HE2 TYR A 60 -0.033 1.775 -7.382 1.00 51.35 H new ATOM 0 HH TYR A 60 1.987 1.471 -8.268 1.00 52.30 H new ATOM 1016 N LEU A 61 -5.058 5.670 -7.789 1.00 40.11 N ATOM 1017 CA LEU A 61 -6.270 4.859 -7.783 1.00 35.44 C ATOM 1018 C LEU A 61 -6.837 4.739 -9.192 1.00 34.31 C ATOM 1019 O LEU A 61 -7.145 3.643 -9.663 1.00 2.44 O ATOM 1020 CB LEU A 61 -7.310 5.490 -6.855 1.00 62.43 C ATOM 1021 CG LEU A 61 -8.688 4.826 -6.858 1.00 4.50 C ATOM 1022 CD1 LEU A 61 -8.606 3.405 -6.323 1.00 34.14 C ATOM 1023 CD2 LEU A 61 -9.673 5.647 -6.045 1.00 50.33 C ATOM 0 H LEU A 61 -5.109 6.501 -7.199 1.00 40.11 H new ATOM 0 HA LEU A 61 -6.022 3.861 -7.421 1.00 35.44 H new ATOM 0 HB2 LEU A 61 -6.920 5.473 -5.837 1.00 62.43 H new ATOM 0 HB3 LEU A 61 -7.430 6.537 -7.132 1.00 62.43 H new ATOM 0 HG LEU A 61 -9.042 4.779 -7.888 1.00 4.50 H new ATOM 0 HD11 LEU A 61 -9.598 2.954 -6.335 1.00 34.14 H new ATOM 0 HD12 LEU A 61 -7.933 2.819 -6.949 1.00 34.14 H new ATOM 0 HD13 LEU A 61 -8.228 3.422 -5.301 1.00 34.14 H new ATOM 0 HD21 LEU A 61 -10.649 5.161 -6.057 1.00 50.33 H new ATOM 0 HD22 LEU A 61 -9.320 5.726 -5.017 1.00 50.33 H new ATOM 0 HD23 LEU A 61 -9.759 6.644 -6.477 1.00 50.33 H new ATOM 1035 N ILE A 62 -6.965 5.877 -9.859 1.00 33.14 N ATOM 1036 CA ILE A 62 -7.441 5.909 -11.240 1.00 15.50 C ATOM 1037 C ILE A 62 -6.514 5.098 -12.148 1.00 53.50 C ATOM 1038 O ILE A 62 -6.974 4.312 -12.970 1.00 64.12 O ATOM 1039 CB ILE A 62 -7.549 7.353 -11.774 1.00 2.43 C ATOM 1040 CG1 ILE A 62 -8.505 8.176 -10.905 1.00 43.14 C ATOM 1041 CG2 ILE A 62 -8.020 7.348 -13.221 1.00 31.25 C ATOM 1042 CD1 ILE A 62 -8.613 9.627 -11.323 1.00 55.14 C ATOM 0 H ILE A 62 -6.746 6.793 -9.468 1.00 33.14 H new ATOM 0 HA ILE A 62 -8.437 5.466 -11.247 1.00 15.50 H new ATOM 0 HB ILE A 62 -6.561 7.812 -11.731 1.00 2.43 H new ATOM 0 HG12 ILE A 62 -9.495 7.722 -10.941 1.00 43.14 H new ATOM 0 HG13 ILE A 62 -8.170 8.130 -9.869 1.00 43.14 H new ATOM 0 HG21 ILE A 62 -8.091 8.373 -13.584 1.00 31.25 H new ATOM 0 HG22 ILE A 62 -7.308 6.795 -13.834 1.00 31.25 H new ATOM 0 HG23 ILE A 62 -8.999 6.872 -13.283 1.00 31.25 H new ATOM 0 HD11 ILE A 62 -9.307 10.145 -10.662 1.00 55.14 H new ATOM 0 HD12 ILE A 62 -7.632 10.098 -11.260 1.00 55.14 H new ATOM 0 HD13 ILE A 62 -8.978 9.684 -12.349 1.00 55.14 H new ATOM 1054 N TYR A 63 -5.209 5.282 -11.974 1.00 4.43 N ATOM 1055 CA TYR A 63 -4.210 4.555 -12.756 1.00 74.51 C ATOM 1056 C TYR A 63 -4.346 3.046 -12.531 1.00 41.02 C ATOM 1057 O TYR A 63 -4.184 2.245 -13.454 1.00 54.21 O ATOM 1058 CB TYR A 63 -2.806 5.030 -12.363 1.00 1.42 C ATOM 1059 CG TYR A 63 -1.690 4.501 -13.240 1.00 11.13 C ATOM 1060 CD1 TYR A 63 -1.371 5.125 -14.441 1.00 53.24 C ATOM 1061 CD2 TYR A 63 -0.947 3.388 -12.861 1.00 14.05 C ATOM 1062 CE1 TYR A 63 -0.346 4.655 -15.238 1.00 23.41 C ATOM 1063 CE2 TYR A 63 0.080 2.915 -13.654 1.00 12.11 C ATOM 1064 CZ TYR A 63 0.375 3.553 -14.840 1.00 74.32 C ATOM 1065 OH TYR A 63 1.398 3.086 -15.629 1.00 20.41 O ATOM 0 H TYR A 63 -4.815 5.932 -11.294 1.00 4.43 H new ATOM 0 HA TYR A 63 -4.372 4.756 -13.815 1.00 74.51 H new ATOM 0 HB2 TYR A 63 -2.785 6.119 -12.390 1.00 1.42 H new ATOM 0 HB3 TYR A 63 -2.612 4.733 -11.332 1.00 1.42 H new ATOM 0 HD1 TYR A 63 -1.934 5.991 -14.756 1.00 53.24 H new ATOM 0 HD2 TYR A 63 -1.177 2.886 -11.933 1.00 14.05 H new ATOM 0 HE1 TYR A 63 -0.112 5.150 -16.169 1.00 23.41 H new ATOM 0 HE2 TYR A 63 0.649 2.050 -13.347 1.00 12.11 H new ATOM 0 HH TYR A 63 1.807 2.303 -15.205 1.00 20.41 H new ATOM 1075 N MET A 64 -4.661 2.677 -11.299 1.00 43.01 N ATOM 1076 CA MET A 64 -4.843 1.280 -10.918 1.00 73.24 C ATOM 1077 C MET A 64 -6.055 0.677 -11.625 1.00 42.23 C ATOM 1078 O MET A 64 -6.029 -0.472 -12.068 1.00 73.01 O ATOM 1079 CB MET A 64 -5.042 1.188 -9.408 1.00 54.24 C ATOM 1080 CG MET A 64 -4.989 -0.227 -8.858 1.00 14.53 C ATOM 1081 SD MET A 64 -3.382 -0.631 -8.150 1.00 14.22 S ATOM 1082 CE MET A 64 -3.223 0.669 -6.926 1.00 1.43 C ATOM 0 H MET A 64 -4.798 3.336 -10.533 1.00 43.01 H new ATOM 0 HA MET A 64 -3.955 0.722 -11.213 1.00 73.24 H new ATOM 0 HB2 MET A 64 -4.276 1.786 -8.915 1.00 54.24 H new ATOM 0 HB3 MET A 64 -6.005 1.629 -9.152 1.00 54.24 H new ATOM 0 HG2 MET A 64 -5.759 -0.346 -8.096 1.00 14.53 H new ATOM 0 HG3 MET A 64 -5.219 -0.933 -9.656 1.00 14.53 H new ATOM 0 HE1 MET A 64 -2.527 0.354 -6.149 1.00 1.43 H new ATOM 0 HE2 MET A 64 -2.848 1.574 -7.403 1.00 1.43 H new ATOM 0 HE3 MET A 64 -4.197 0.871 -6.481 1.00 1.43 H new ATOM 1092 N LYS A 65 -7.116 1.462 -11.722 1.00 54.34 N ATOM 1093 CA LYS A 65 -8.368 0.995 -12.309 1.00 42.21 C ATOM 1094 C LYS A 65 -8.320 1.077 -13.837 1.00 35.41 C ATOM 1095 O LYS A 65 -8.851 0.215 -14.537 1.00 73.51 O ATOM 1096 CB LYS A 65 -9.529 1.831 -11.754 1.00 32.01 C ATOM 1097 CG LYS A 65 -10.830 1.060 -11.566 1.00 63.44 C ATOM 1098 CD LYS A 65 -11.550 0.811 -12.880 1.00 74.11 C ATOM 1099 CE LYS A 65 -12.778 -0.061 -12.674 1.00 35.52 C ATOM 1100 NZ LYS A 65 -13.574 -0.212 -13.918 1.00 2.04 N ATOM 0 H LYS A 65 -7.138 2.430 -11.401 1.00 54.34 H new ATOM 0 HA LYS A 65 -8.519 -0.051 -12.042 1.00 42.21 H new ATOM 0 HB2 LYS A 65 -9.230 2.253 -10.795 1.00 32.01 H new ATOM 0 HB3 LYS A 65 -9.712 2.668 -12.428 1.00 32.01 H new ATOM 0 HG2 LYS A 65 -10.617 0.105 -11.085 1.00 63.44 H new ATOM 0 HG3 LYS A 65 -11.485 1.616 -10.895 1.00 63.44 H new ATOM 0 HD2 LYS A 65 -11.846 1.762 -13.322 1.00 74.11 H new ATOM 0 HD3 LYS A 65 -10.872 0.329 -13.584 1.00 74.11 H new ATOM 0 HE2 LYS A 65 -12.468 -1.045 -12.322 1.00 35.52 H new ATOM 0 HE3 LYS A 65 -13.404 0.374 -11.895 1.00 35.52 H new ATOM 0 HZ1 LYS A 65 -14.401 -0.814 -13.730 1.00 2.04 H new ATOM 0 HZ2 LYS A 65 -13.893 0.723 -14.242 1.00 2.04 H new ATOM 0 HZ3 LYS A 65 -12.986 -0.651 -14.655 1.00 2.04 H new ATOM 1114 N LYS A 66 -7.666 2.111 -14.352 1.00 54.13 N ATOM 1115 CA LYS A 66 -7.592 2.336 -15.790 1.00 53.44 C ATOM 1116 C LYS A 66 -6.502 1.484 -16.435 1.00 34.32 C ATOM 1117 O LYS A 66 -6.789 0.598 -17.239 1.00 15.12 O ATOM 1118 CB LYS A 66 -7.329 3.818 -16.085 1.00 62.12 C ATOM 1119 CG LYS A 66 -7.164 4.128 -17.565 1.00 63.22 C ATOM 1120 CD LYS A 66 -8.429 3.808 -18.341 1.00 31.22 C ATOM 1121 CE LYS A 66 -8.221 3.956 -19.836 1.00 53.24 C ATOM 1122 NZ LYS A 66 -9.475 3.702 -20.591 1.00 12.41 N ATOM 0 H LYS A 66 -7.177 2.810 -13.792 1.00 54.13 H new ATOM 0 HA LYS A 66 -8.551 2.044 -16.217 1.00 53.44 H new ATOM 0 HB2 LYS A 66 -8.154 4.410 -15.689 1.00 62.12 H new ATOM 0 HB3 LYS A 66 -6.429 4.131 -15.555 1.00 62.12 H new ATOM 0 HG2 LYS A 66 -6.914 5.181 -17.692 1.00 63.22 H new ATOM 0 HG3 LYS A 66 -6.332 3.551 -17.969 1.00 63.22 H new ATOM 0 HD2 LYS A 66 -8.746 2.790 -18.117 1.00 31.22 H new ATOM 0 HD3 LYS A 66 -9.232 4.470 -18.018 1.00 31.22 H new ATOM 0 HE2 LYS A 66 -7.861 4.961 -20.056 1.00 53.24 H new ATOM 0 HE3 LYS A 66 -7.449 3.261 -20.167 1.00 53.24 H new ATOM 0 HZ1 LYS A 66 -9.295 3.812 -21.609 1.00 12.41 H new ATOM 0 HZ2 LYS A 66 -9.805 2.734 -20.400 1.00 12.41 H new ATOM 0 HZ3 LYS A 66 -10.204 4.382 -20.293 1.00 12.41 H new ATOM 1136 N THR A 67 -5.259 1.743 -16.062 1.00 11.24 N ATOM 1137 CA THR A 67 -4.120 1.103 -16.698 1.00 72.02 C ATOM 1138 C THR A 67 -3.936 -0.326 -16.199 1.00 11.42 C ATOM 1139 O THR A 67 -3.790 -1.258 -16.989 1.00 25.01 O ATOM 1140 CB THR A 67 -2.837 1.913 -16.441 1.00 61.53 C ATOM 1141 OG1 THR A 67 -3.067 3.289 -16.769 1.00 33.53 O ATOM 1142 CG2 THR A 67 -1.676 1.376 -17.267 1.00 22.12 C ATOM 0 H THR A 67 -5.013 2.396 -15.318 1.00 11.24 H new ATOM 0 HA THR A 67 -4.316 1.069 -17.770 1.00 72.02 H new ATOM 0 HB THR A 67 -2.577 1.822 -15.386 1.00 61.53 H new ATOM 0 HG1 THR A 67 -2.478 3.857 -16.230 1.00 33.53 H new ATOM 0 HG21 THR A 67 -0.782 1.967 -17.066 1.00 22.12 H new ATOM 0 HG22 THR A 67 -1.491 0.335 -17.001 1.00 22.12 H new ATOM 0 HG23 THR A 67 -1.923 1.441 -18.327 1.00 22.12 H new ATOM 1150 N LEU A 68 -3.954 -0.497 -14.885 1.00 22.11 N ATOM 1151 CA LEU A 68 -3.771 -1.814 -14.295 1.00 2.32 C ATOM 1152 C LEU A 68 -5.058 -2.625 -14.395 1.00 25.02 C ATOM 1153 O LEU A 68 -5.038 -3.853 -14.307 1.00 1.43 O ATOM 1154 CB LEU A 68 -3.314 -1.695 -12.839 1.00 40.14 C ATOM 1155 CG LEU A 68 -2.024 -0.898 -12.634 1.00 44.11 C ATOM 1156 CD1 LEU A 68 -1.645 -0.868 -11.163 1.00 71.31 C ATOM 1157 CD2 LEU A 68 -0.894 -1.492 -13.462 1.00 41.13 C ATOM 0 H LEU A 68 -4.093 0.256 -14.211 1.00 22.11 H new ATOM 0 HA LEU A 68 -2.993 -2.337 -14.851 1.00 2.32 H new ATOM 0 HB2 LEU A 68 -4.110 -1.226 -12.260 1.00 40.14 H new ATOM 0 HB3 LEU A 68 -3.173 -2.697 -12.434 1.00 40.14 H new ATOM 0 HG LEU A 68 -2.195 0.126 -12.967 1.00 44.11 H new ATOM 0 HD11 LEU A 68 -0.725 -0.297 -11.036 1.00 71.31 H new ATOM 0 HD12 LEU A 68 -2.445 -0.399 -10.591 1.00 71.31 H new ATOM 0 HD13 LEU A 68 -1.492 -1.886 -10.806 1.00 71.31 H new ATOM 0 HD21 LEU A 68 0.016 -0.913 -13.304 1.00 41.13 H new ATOM 0 HD22 LEU A 68 -0.724 -2.525 -13.158 1.00 41.13 H new ATOM 0 HD23 LEU A 68 -1.163 -1.464 -14.518 1.00 41.13 H new ATOM 1169 N CYS A 69 -6.172 -1.918 -14.574 1.00 74.31 N ATOM 1170 CA CYS A 69 -7.477 -2.537 -14.810 1.00 23.11 C ATOM 1171 C CYS A 69 -7.917 -3.414 -13.636 1.00 73.43 C ATOM 1172 O CYS A 69 -8.612 -4.412 -13.826 1.00 35.22 O ATOM 1173 CB CYS A 69 -7.449 -3.361 -16.103 1.00 0.23 C ATOM 1174 SG CYS A 69 -6.935 -2.426 -17.567 1.00 62.34 S ATOM 0 H CYS A 69 -6.196 -0.898 -14.560 1.00 74.31 H new ATOM 0 HA CYS A 69 -8.205 -1.732 -14.910 1.00 23.11 H new ATOM 0 HB2 CYS A 69 -6.772 -4.205 -15.968 1.00 0.23 H new ATOM 0 HB3 CYS A 69 -8.442 -3.774 -16.279 1.00 0.23 H new ATOM 0 HG CYS A 69 -6.898 -1.158 -17.281 1.00 62.34 H new ATOM 1180 N ASN A 70 -7.520 -3.046 -12.425 1.00 45.34 N ATOM 1181 CA ASN A 70 -7.972 -3.768 -11.240 1.00 50.13 C ATOM 1182 C ASN A 70 -9.202 -3.089 -10.661 1.00 3.33 C ATOM 1183 O ASN A 70 -9.407 -1.889 -10.856 1.00 30.53 O ATOM 1184 CB ASN A 70 -6.879 -3.869 -10.165 1.00 31.31 C ATOM 1185 CG ASN A 70 -5.822 -4.922 -10.476 1.00 43.31 C ATOM 1186 OD1 ASN A 70 -5.501 -5.104 -11.747 1.00 0.14 O flip ATOM 1187 ND2 ASN A 70 -5.296 -5.572 -9.570 1.00 40.11 N flip ATOM 0 H ASN A 70 -6.894 -2.263 -12.237 1.00 45.34 H new ATOM 0 HA ASN A 70 -8.217 -4.783 -11.552 1.00 50.13 H new ATOM 0 HB2 ASN A 70 -6.394 -2.899 -10.057 1.00 31.31 H new ATOM 0 HB3 ASN A 70 -7.343 -4.102 -9.206 1.00 31.31 H new ATOM 0 HD21 ASN A 70 -5.566 -5.407 -8.600 1.00 40.11 H new ATOM 0 HD22 ASN A 70 -4.590 -6.275 -9.790 1.00 40.11 H new ATOM 1194 N ALA A 71 -10.021 -3.857 -9.960 1.00 12.40 N ATOM 1195 CA ALA A 71 -11.227 -3.327 -9.350 1.00 53.12 C ATOM 1196 C ALA A 71 -10.878 -2.502 -8.121 1.00 4.43 C ATOM 1197 O ALA A 71 -9.842 -2.726 -7.493 1.00 53.41 O ATOM 1198 CB ALA A 71 -12.172 -4.459 -8.986 1.00 13.03 C ATOM 0 H ALA A 71 -9.870 -4.853 -9.800 1.00 12.40 H new ATOM 0 HA ALA A 71 -11.728 -2.677 -10.068 1.00 53.12 H new ATOM 0 HB1 ALA A 71 -13.073 -4.049 -8.529 1.00 13.03 H new ATOM 0 HB2 ALA A 71 -12.441 -5.012 -9.886 1.00 13.03 H new ATOM 0 HB3 ALA A 71 -11.681 -5.130 -8.281 1.00 13.03 H new ATOM 1204 N ASP A 72 -11.741 -1.554 -7.781 1.00 34.42 N ATOM 1205 CA ASP A 72 -11.496 -0.656 -6.652 1.00 53.45 C ATOM 1206 C ASP A 72 -11.351 -1.425 -5.342 1.00 53.00 C ATOM 1207 O ASP A 72 -10.637 -0.988 -4.442 1.00 21.04 O ATOM 1208 CB ASP A 72 -12.599 0.405 -6.531 1.00 51.12 C ATOM 1209 CG ASP A 72 -13.962 -0.172 -6.202 1.00 31.44 C ATOM 1210 OD1 ASP A 72 -14.649 -0.663 -7.125 1.00 51.50 O ATOM 1211 OD2 ASP A 72 -14.359 -0.125 -5.021 1.00 34.50 O ATOM 0 H ASP A 72 -12.620 -1.384 -8.270 1.00 34.42 H new ATOM 0 HA ASP A 72 -10.553 -0.147 -6.850 1.00 53.45 H new ATOM 0 HB2 ASP A 72 -12.320 1.120 -5.757 1.00 51.12 H new ATOM 0 HB3 ASP A 72 -12.664 0.958 -7.468 1.00 51.12 H new ATOM 1216 N SER A 73 -12.004 -2.580 -5.243 1.00 24.12 N ATOM 1217 CA SER A 73 -11.871 -3.429 -4.064 1.00 55.33 C ATOM 1218 C SER A 73 -10.422 -3.879 -3.880 1.00 3.50 C ATOM 1219 O SER A 73 -9.939 -4.005 -2.754 1.00 33.41 O ATOM 1220 CB SER A 73 -12.787 -4.649 -4.175 1.00 3.33 C ATOM 1221 OG SER A 73 -14.145 -4.260 -4.300 1.00 61.25 O ATOM 0 H SER A 73 -12.628 -2.948 -5.962 1.00 24.12 H new ATOM 0 HA SER A 73 -12.167 -2.845 -3.193 1.00 55.33 H new ATOM 0 HB2 SER A 73 -12.496 -5.248 -5.038 1.00 3.33 H new ATOM 0 HB3 SER A 73 -12.666 -5.279 -3.294 1.00 3.33 H new ATOM 0 HG SER A 73 -14.709 -5.058 -4.371 1.00 61.25 H new ATOM 1227 N THR A 74 -9.737 -4.115 -4.993 1.00 42.40 N ATOM 1228 CA THR A 74 -8.331 -4.488 -4.966 1.00 12.14 C ATOM 1229 C THR A 74 -7.456 -3.242 -4.899 1.00 0.42 C ATOM 1230 O THR A 74 -6.496 -3.181 -4.130 1.00 42.45 O ATOM 1231 CB THR A 74 -7.957 -5.312 -6.214 1.00 3.41 C ATOM 1232 OG1 THR A 74 -8.875 -6.405 -6.356 1.00 31.43 O ATOM 1233 CG2 THR A 74 -6.539 -5.855 -6.110 1.00 44.34 C ATOM 0 H THR A 74 -10.137 -4.054 -5.929 1.00 42.40 H new ATOM 0 HA THR A 74 -8.162 -5.098 -4.079 1.00 12.14 H new ATOM 0 HB THR A 74 -8.012 -4.659 -7.085 1.00 3.41 H new ATOM 0 HG1 THR A 74 -8.640 -6.929 -7.150 1.00 31.43 H new ATOM 0 HG21 THR A 74 -6.304 -6.432 -7.004 1.00 44.34 H new ATOM 0 HG22 THR A 74 -5.838 -5.026 -6.018 1.00 44.34 H new ATOM 0 HG23 THR A 74 -6.459 -6.497 -5.233 1.00 44.34 H new ATOM 1241 N ALA A 75 -7.818 -2.240 -5.697 1.00 11.42 N ATOM 1242 CA ALA A 75 -7.072 -0.988 -5.768 1.00 32.20 C ATOM 1243 C ALA A 75 -6.921 -0.346 -4.394 1.00 42.45 C ATOM 1244 O ALA A 75 -5.833 0.091 -4.019 1.00 43.30 O ATOM 1245 CB ALA A 75 -7.757 -0.026 -6.727 1.00 22.42 C ATOM 0 H ALA A 75 -8.633 -2.273 -6.310 1.00 11.42 H new ATOM 0 HA ALA A 75 -6.072 -1.215 -6.139 1.00 32.20 H new ATOM 0 HB1 ALA A 75 -7.193 0.905 -6.773 1.00 22.42 H new ATOM 0 HB2 ALA A 75 -7.802 -0.473 -7.720 1.00 22.42 H new ATOM 0 HB3 ALA A 75 -8.768 0.180 -6.376 1.00 22.42 H new ATOM 1251 N GLN A 76 -8.012 -0.313 -3.639 1.00 52.53 N ATOM 1252 CA GLN A 76 -8.017 0.292 -2.325 1.00 73.31 C ATOM 1253 C GLN A 76 -7.114 -0.465 -1.359 1.00 43.22 C ATOM 1254 O GLN A 76 -6.500 0.130 -0.481 1.00 73.12 O ATOM 1255 CB GLN A 76 -9.446 0.349 -1.800 1.00 51.10 C ATOM 1256 CG GLN A 76 -10.281 1.455 -2.436 1.00 3.12 C ATOM 1257 CD GLN A 76 -9.800 2.851 -2.069 1.00 4.45 C ATOM 1258 OE1 GLN A 76 -8.618 3.075 -1.819 1.00 45.41 O ATOM 1259 NE2 GLN A 76 -10.717 3.803 -2.045 1.00 61.42 N ATOM 0 H GLN A 76 -8.910 -0.704 -3.923 1.00 52.53 H new ATOM 0 HA GLN A 76 -7.622 1.305 -2.406 1.00 73.31 H new ATOM 0 HB2 GLN A 76 -9.930 -0.611 -1.980 1.00 51.10 H new ATOM 0 HB3 GLN A 76 -9.423 0.497 -0.720 1.00 51.10 H new ATOM 0 HG2 GLN A 76 -10.258 1.342 -3.520 1.00 3.12 H new ATOM 0 HG3 GLN A 76 -11.320 1.342 -2.126 1.00 3.12 H new ATOM 0 HE21 GLN A 76 -11.689 3.580 -2.258 1.00 61.42 H new ATOM 0 HE22 GLN A 76 -10.452 4.760 -1.813 1.00 61.42 H new ATOM 1268 N ARG A 77 -7.025 -1.778 -1.531 1.00 31.44 N ATOM 1269 CA ARG A 77 -6.134 -2.592 -0.707 1.00 11.43 C ATOM 1270 C ARG A 77 -4.679 -2.359 -1.088 1.00 12.54 C ATOM 1271 O ARG A 77 -3.803 -2.314 -0.222 1.00 33.55 O ATOM 1272 CB ARG A 77 -6.474 -4.080 -0.818 1.00 54.25 C ATOM 1273 CG ARG A 77 -7.409 -4.572 0.274 1.00 31.50 C ATOM 1274 CD ARG A 77 -8.744 -3.852 0.243 1.00 30.35 C ATOM 1275 NE ARG A 77 -9.594 -4.241 1.364 1.00 23.44 N ATOM 1276 CZ ARG A 77 -10.759 -4.865 1.233 1.00 14.44 C ATOM 1277 NH1 ARG A 77 -11.203 -5.198 0.028 1.00 73.22 N ATOM 1278 NH2 ARG A 77 -11.472 -5.163 2.312 1.00 24.23 N ATOM 0 H ARG A 77 -7.554 -2.301 -2.228 1.00 31.44 H new ATOM 0 HA ARG A 77 -6.279 -2.286 0.329 1.00 11.43 H new ATOM 0 HB2 ARG A 77 -6.932 -4.268 -1.789 1.00 54.25 H new ATOM 0 HB3 ARG A 77 -5.551 -4.659 -0.783 1.00 54.25 H new ATOM 0 HG2 ARG A 77 -7.572 -5.643 0.157 1.00 31.50 H new ATOM 0 HG3 ARG A 77 -6.940 -4.425 1.247 1.00 31.50 H new ATOM 0 HD2 ARG A 77 -8.577 -2.775 0.269 1.00 30.35 H new ATOM 0 HD3 ARG A 77 -9.255 -4.073 -0.694 1.00 30.35 H new ATOM 0 HE ARG A 77 -9.273 -4.020 2.307 1.00 23.44 H new ATOM 0 HH11 ARG A 77 -10.649 -4.975 -0.799 1.00 73.22 H new ATOM 0 HH12 ARG A 77 -12.098 -5.677 -0.071 1.00 73.22 H new ATOM 0 HH21 ARG A 77 -11.125 -4.913 3.238 1.00 24.23 H new ATOM 0 HH22 ARG A 77 -12.367 -5.642 2.215 1.00 24.23 H new ATOM 1292 N ASN A 78 -4.426 -2.209 -2.381 1.00 42.15 N ATOM 1293 CA ASN A 78 -3.088 -1.899 -2.871 1.00 45.10 C ATOM 1294 C ASN A 78 -2.607 -0.577 -2.288 1.00 72.23 C ATOM 1295 O ASN A 78 -1.447 -0.432 -1.900 1.00 52.34 O ATOM 1296 CB ASN A 78 -3.078 -1.836 -4.402 1.00 55.43 C ATOM 1297 CG ASN A 78 -3.160 -3.201 -5.064 1.00 63.24 C ATOM 1298 OD1 ASN A 78 -3.666 -4.165 -4.490 1.00 11.23 O ATOM 1299 ND2 ASN A 78 -2.661 -3.292 -6.288 1.00 43.12 N ATOM 0 H ASN A 78 -5.132 -2.297 -3.112 1.00 42.15 H new ATOM 0 HA ASN A 78 -2.411 -2.692 -2.552 1.00 45.10 H new ATOM 0 HB2 ASN A 78 -3.917 -1.227 -4.738 1.00 55.43 H new ATOM 0 HB3 ASN A 78 -2.168 -1.335 -4.731 1.00 55.43 H new ATOM 0 HD21 ASN A 78 -2.689 -4.182 -6.785 1.00 43.12 H new ATOM 0 HD22 ASN A 78 -2.249 -2.472 -6.733 1.00 43.12 H new ATOM 1306 N LEU A 79 -3.519 0.377 -2.211 1.00 1.33 N ATOM 1307 CA LEU A 79 -3.221 1.678 -1.631 1.00 23.11 C ATOM 1308 C LEU A 79 -3.147 1.588 -0.108 1.00 40.32 C ATOM 1309 O LEU A 79 -2.311 2.234 0.523 1.00 55.02 O ATOM 1310 CB LEU A 79 -4.286 2.692 -2.052 1.00 20.11 C ATOM 1311 CG LEU A 79 -4.399 2.923 -3.561 1.00 34.42 C ATOM 1312 CD1 LEU A 79 -5.539 3.879 -3.864 1.00 72.04 C ATOM 1313 CD2 LEU A 79 -3.092 3.464 -4.118 1.00 65.23 C ATOM 0 H LEU A 79 -4.478 0.275 -2.545 1.00 1.33 H new ATOM 0 HA LEU A 79 -2.250 2.008 -1.999 1.00 23.11 H new ATOM 0 HB2 LEU A 79 -5.253 2.357 -1.678 1.00 20.11 H new ATOM 0 HB3 LEU A 79 -4.070 3.645 -1.569 1.00 20.11 H new ATOM 0 HG LEU A 79 -4.608 1.967 -4.042 1.00 34.42 H new ATOM 0 HD11 LEU A 79 -5.607 4.034 -4.941 1.00 72.04 H new ATOM 0 HD12 LEU A 79 -6.475 3.457 -3.498 1.00 72.04 H new ATOM 0 HD13 LEU A 79 -5.354 4.833 -3.371 1.00 72.04 H new ATOM 0 HD21 LEU A 79 -3.192 3.622 -5.192 1.00 65.23 H new ATOM 0 HD22 LEU A 79 -2.854 4.410 -3.633 1.00 65.23 H new ATOM 0 HD23 LEU A 79 -2.292 2.748 -3.929 1.00 65.23 H new ATOM 1325 N SER A 80 -4.016 0.766 0.472 1.00 4.11 N ATOM 1326 CA SER A 80 -4.075 0.596 1.920 1.00 22.13 C ATOM 1327 C SER A 80 -2.778 0.009 2.467 1.00 40.55 C ATOM 1328 O SER A 80 -2.351 0.364 3.565 1.00 11.33 O ATOM 1329 CB SER A 80 -5.260 -0.292 2.308 1.00 23.20 C ATOM 1330 OG SER A 80 -5.388 -0.407 3.718 1.00 12.14 O ATOM 0 H SER A 80 -4.694 0.204 -0.043 1.00 4.11 H new ATOM 0 HA SER A 80 -4.211 1.583 2.362 1.00 22.13 H new ATOM 0 HB2 SER A 80 -6.178 0.123 1.891 1.00 23.20 H new ATOM 0 HB3 SER A 80 -5.131 -1.283 1.872 1.00 23.20 H new ATOM 0 HG SER A 80 -6.155 -0.979 3.931 1.00 12.14 H new ATOM 1336 N THR A 81 -2.147 -0.882 1.713 1.00 73.21 N ATOM 1337 CA THR A 81 -0.886 -1.459 2.152 1.00 61.52 C ATOM 1338 C THR A 81 0.208 -0.394 2.204 1.00 0.14 C ATOM 1339 O THR A 81 1.086 -0.439 3.063 1.00 22.01 O ATOM 1340 CB THR A 81 -0.456 -2.654 1.272 1.00 32.30 C ATOM 1341 OG1 THR A 81 -0.627 -2.360 -0.122 1.00 64.12 O ATOM 1342 CG2 THR A 81 -1.267 -3.888 1.630 1.00 12.24 C ATOM 0 H THR A 81 -2.482 -1.216 0.809 1.00 73.21 H new ATOM 0 HA THR A 81 -1.039 -1.845 3.160 1.00 61.52 H new ATOM 0 HB THR A 81 0.601 -2.843 1.461 1.00 32.30 H new ATOM 0 HG1 THR A 81 -0.615 -3.194 -0.636 1.00 64.12 H new ATOM 0 HG21 THR A 81 -0.955 -4.723 1.003 1.00 12.24 H new ATOM 0 HG22 THR A 81 -1.103 -4.140 2.678 1.00 12.24 H new ATOM 0 HG23 THR A 81 -2.326 -3.688 1.466 1.00 12.24 H new ATOM 1350 N ILE A 82 0.127 0.583 1.310 1.00 52.01 N ATOM 1351 CA ILE A 82 1.045 1.715 1.339 1.00 52.40 C ATOM 1352 C ILE A 82 0.717 2.591 2.545 1.00 61.23 C ATOM 1353 O ILE A 82 1.603 3.086 3.244 1.00 11.41 O ATOM 1354 CB ILE A 82 0.938 2.563 0.053 1.00 30.52 C ATOM 1355 CG1 ILE A 82 1.069 1.675 -1.189 1.00 14.34 C ATOM 1356 CG2 ILE A 82 2.001 3.656 0.045 1.00 75.21 C ATOM 1357 CD1 ILE A 82 0.751 2.397 -2.481 1.00 32.04 C ATOM 0 H ILE A 82 -0.562 0.615 0.559 1.00 52.01 H new ATOM 0 HA ILE A 82 2.062 1.329 1.409 1.00 52.40 H new ATOM 0 HB ILE A 82 -0.043 3.037 0.033 1.00 30.52 H new ATOM 0 HG12 ILE A 82 2.085 1.283 -1.241 1.00 14.34 H new ATOM 0 HG13 ILE A 82 0.402 0.819 -1.086 1.00 14.34 H new ATOM 0 HG21 ILE A 82 1.911 4.244 -0.868 1.00 75.21 H new ATOM 0 HG22 ILE A 82 1.862 4.305 0.910 1.00 75.21 H new ATOM 0 HG23 ILE A 82 2.991 3.201 0.088 1.00 75.21 H new ATOM 0 HD11 ILE A 82 0.864 1.709 -3.319 1.00 32.04 H new ATOM 0 HD12 ILE A 82 -0.274 2.765 -2.449 1.00 32.04 H new ATOM 0 HD13 ILE A 82 1.434 3.237 -2.606 1.00 32.04 H new ATOM 1369 N LYS A 83 -0.580 2.744 2.778 1.00 24.31 N ATOM 1370 CA LYS A 83 -1.110 3.516 3.895 1.00 5.01 C ATOM 1371 C LYS A 83 -0.567 2.996 5.218 1.00 11.42 C ATOM 1372 O LYS A 83 -0.251 3.779 6.105 1.00 0.32 O ATOM 1373 CB LYS A 83 -2.643 3.441 3.856 1.00 12.25 C ATOM 1374 CG LYS A 83 -3.372 4.533 4.624 1.00 34.42 C ATOM 1375 CD LYS A 83 -3.425 4.254 6.111 1.00 55.44 C ATOM 1376 CE LYS A 83 -4.414 5.174 6.802 1.00 73.45 C ATOM 1377 NZ LYS A 83 -4.349 5.054 8.277 1.00 3.43 N ATOM 0 H LYS A 83 -1.303 2.330 2.189 1.00 24.31 H new ATOM 0 HA LYS A 83 -0.796 4.556 3.807 1.00 5.01 H new ATOM 0 HB2 LYS A 83 -2.965 3.476 2.815 1.00 12.25 H new ATOM 0 HB3 LYS A 83 -2.952 2.474 4.252 1.00 12.25 H new ATOM 0 HG2 LYS A 83 -2.874 5.488 4.454 1.00 34.42 H new ATOM 0 HG3 LYS A 83 -4.387 4.629 4.238 1.00 34.42 H new ATOM 0 HD2 LYS A 83 -3.710 3.215 6.280 1.00 55.44 H new ATOM 0 HD3 LYS A 83 -2.434 4.387 6.545 1.00 55.44 H new ATOM 0 HE2 LYS A 83 -4.212 6.205 6.513 1.00 73.45 H new ATOM 0 HE3 LYS A 83 -5.423 4.940 6.464 1.00 73.45 H new ATOM 0 HZ1 LYS A 83 -4.979 5.759 8.711 1.00 3.43 H new ATOM 0 HZ2 LYS A 83 -4.649 4.100 8.561 1.00 3.43 H new ATOM 0 HZ3 LYS A 83 -3.373 5.219 8.596 1.00 3.43 H new ATOM 1391 N ILE A 84 -0.438 1.683 5.340 1.00 33.33 N ATOM 1392 CA ILE A 84 0.106 1.080 6.550 1.00 13.45 C ATOM 1393 C ILE A 84 1.531 1.576 6.817 1.00 11.14 C ATOM 1394 O ILE A 84 1.881 1.902 7.953 1.00 2.43 O ATOM 1395 CB ILE A 84 0.095 -0.462 6.460 1.00 23.31 C ATOM 1396 CG1 ILE A 84 -1.345 -0.964 6.324 1.00 54.41 C ATOM 1397 CG2 ILE A 84 0.759 -1.077 7.685 1.00 13.53 C ATOM 1398 CD1 ILE A 84 -1.462 -2.461 6.136 1.00 65.24 C ATOM 0 H ILE A 84 -0.702 1.014 4.617 1.00 33.33 H new ATOM 0 HA ILE A 84 -0.532 1.383 7.380 1.00 13.45 H new ATOM 0 HB ILE A 84 0.661 -0.765 5.579 1.00 23.31 H new ATOM 0 HG12 ILE A 84 -1.905 -0.675 7.214 1.00 54.41 H new ATOM 0 HG13 ILE A 84 -1.814 -0.464 5.476 1.00 54.41 H new ATOM 0 HG21 ILE A 84 0.741 -2.164 7.602 1.00 13.53 H new ATOM 0 HG22 ILE A 84 1.792 -0.735 7.749 1.00 13.53 H new ATOM 0 HG23 ILE A 84 0.220 -0.773 8.582 1.00 13.53 H new ATOM 0 HD11 ILE A 84 -2.513 -2.736 6.048 1.00 65.24 H new ATOM 0 HD12 ILE A 84 -0.933 -2.756 5.230 1.00 65.24 H new ATOM 0 HD13 ILE A 84 -1.025 -2.971 6.994 1.00 65.24 H new ATOM 1410 N TYR A 85 2.337 1.654 5.762 1.00 43.33 N ATOM 1411 CA TYR A 85 3.712 2.137 5.877 1.00 33.52 C ATOM 1412 C TYR A 85 3.730 3.628 6.199 1.00 30.31 C ATOM 1413 O TYR A 85 4.448 4.075 7.093 1.00 11.40 O ATOM 1414 CB TYR A 85 4.478 1.868 4.576 1.00 65.23 C ATOM 1415 CG TYR A 85 5.905 2.374 4.581 1.00 41.40 C ATOM 1416 CD1 TYR A 85 6.902 1.703 5.282 1.00 5.12 C ATOM 1417 CD2 TYR A 85 6.259 3.518 3.875 1.00 21.45 C ATOM 1418 CE1 TYR A 85 8.208 2.161 5.278 1.00 72.14 C ATOM 1419 CE2 TYR A 85 7.560 3.981 3.869 1.00 32.32 C ATOM 1420 CZ TYR A 85 8.531 3.299 4.570 1.00 71.31 C ATOM 1421 OH TYR A 85 9.830 3.756 4.558 1.00 1.01 O ATOM 0 H TYR A 85 2.062 1.389 4.816 1.00 43.33 H new ATOM 0 HA TYR A 85 4.200 1.601 6.691 1.00 33.52 H new ATOM 0 HB2 TYR A 85 4.486 0.795 4.387 1.00 65.23 H new ATOM 0 HB3 TYR A 85 3.942 2.333 3.749 1.00 65.23 H new ATOM 0 HD1 TYR A 85 6.653 0.811 5.838 1.00 5.12 H new ATOM 0 HD2 TYR A 85 5.503 4.054 3.321 1.00 21.45 H new ATOM 0 HE1 TYR A 85 8.971 1.629 5.827 1.00 72.14 H new ATOM 0 HE2 TYR A 85 7.815 4.874 3.317 1.00 32.32 H new ATOM 0 HH TYR A 85 10.065 4.051 3.653 1.00 1.01 H new ATOM 1431 N VAL A 86 2.923 4.385 5.470 1.00 53.21 N ATOM 1432 CA VAL A 86 2.824 5.827 5.657 1.00 35.31 C ATOM 1433 C VAL A 86 2.322 6.163 7.059 1.00 30.32 C ATOM 1434 O VAL A 86 2.877 7.023 7.743 1.00 14.51 O ATOM 1435 CB VAL A 86 1.882 6.448 4.606 1.00 3.12 C ATOM 1436 CG1 VAL A 86 1.667 7.932 4.863 1.00 52.20 C ATOM 1437 CG2 VAL A 86 2.435 6.224 3.208 1.00 22.13 C ATOM 0 H VAL A 86 2.319 4.019 4.734 1.00 53.21 H new ATOM 0 HA VAL A 86 3.822 6.247 5.533 1.00 35.31 H new ATOM 0 HB VAL A 86 0.914 5.954 4.686 1.00 3.12 H new ATOM 0 HG11 VAL A 86 0.998 8.339 4.105 1.00 52.20 H new ATOM 0 HG12 VAL A 86 1.224 8.070 5.849 1.00 52.20 H new ATOM 0 HG13 VAL A 86 2.624 8.451 4.819 1.00 52.20 H new ATOM 0 HG21 VAL A 86 1.761 6.667 2.475 1.00 22.13 H new ATOM 0 HG22 VAL A 86 3.417 6.690 3.126 1.00 22.13 H new ATOM 0 HG23 VAL A 86 2.524 5.154 3.019 1.00 22.13 H new ATOM 1447 N SER A 87 1.279 5.465 7.480 1.00 70.33 N ATOM 1448 CA SER A 87 0.705 5.642 8.801 1.00 22.41 C ATOM 1449 C SER A 87 1.703 5.268 9.901 1.00 40.52 C ATOM 1450 O SER A 87 1.757 5.920 10.944 1.00 34.41 O ATOM 1451 CB SER A 87 -0.577 4.818 8.906 1.00 34.03 C ATOM 1452 OG SER A 87 -1.705 5.581 8.517 1.00 53.03 O ATOM 0 H SER A 87 0.808 4.760 6.914 1.00 70.33 H new ATOM 0 HA SER A 87 0.463 6.695 8.944 1.00 22.41 H new ATOM 0 HB2 SER A 87 -0.497 3.933 8.275 1.00 34.03 H new ATOM 0 HB3 SER A 87 -0.706 4.468 9.930 1.00 34.03 H new ATOM 0 HG SER A 87 -1.673 6.458 8.953 1.00 53.03 H new ATOM 1458 N ALA A 88 2.504 4.231 9.661 1.00 42.21 N ATOM 1459 CA ALA A 88 3.550 3.851 10.605 1.00 14.41 C ATOM 1460 C ALA A 88 4.622 4.934 10.665 1.00 51.41 C ATOM 1461 O ALA A 88 5.177 5.227 11.726 1.00 53.12 O ATOM 1462 CB ALA A 88 4.163 2.514 10.219 1.00 63.24 C ATOM 0 H ALA A 88 2.449 3.644 8.828 1.00 42.21 H new ATOM 0 HA ALA A 88 3.103 3.746 11.594 1.00 14.41 H new ATOM 0 HB1 ALA A 88 4.940 2.250 10.936 1.00 63.24 H new ATOM 0 HB2 ALA A 88 3.390 1.745 10.222 1.00 63.24 H new ATOM 0 HB3 ALA A 88 4.598 2.587 9.222 1.00 63.24 H new ATOM 1468 N ALA A 89 4.883 5.543 9.516 1.00 32.11 N ATOM 1469 CA ALA A 89 5.830 6.643 9.413 1.00 5.24 C ATOM 1470 C ALA A 89 5.362 7.851 10.210 1.00 34.22 C ATOM 1471 O ALA A 89 6.154 8.727 10.542 1.00 21.51 O ATOM 1472 CB ALA A 89 6.062 7.022 7.960 1.00 54.33 C ATOM 0 H ALA A 89 4.445 5.288 8.631 1.00 32.11 H new ATOM 0 HA ALA A 89 6.776 6.305 9.837 1.00 5.24 H new ATOM 0 HB1 ALA A 89 6.773 7.846 7.908 1.00 54.33 H new ATOM 0 HB2 ALA A 89 6.461 6.164 7.419 1.00 54.33 H new ATOM 0 HB3 ALA A 89 5.118 7.328 7.509 1.00 54.33 H new ATOM 1478 N ILE A 90 4.069 7.925 10.472 1.00 22.43 N ATOM 1479 CA ILE A 90 3.532 9.006 11.279 1.00 10.24 C ATOM 1480 C ILE A 90 3.821 8.765 12.761 1.00 74.02 C ATOM 1481 O ILE A 90 4.049 9.707 13.523 1.00 13.51 O ATOM 1482 CB ILE A 90 2.005 9.171 11.078 1.00 13.53 C ATOM 1483 CG1 ILE A 90 1.676 9.373 9.598 1.00 42.44 C ATOM 1484 CG2 ILE A 90 1.477 10.337 11.904 1.00 11.53 C ATOM 1485 CD1 ILE A 90 0.192 9.463 9.311 1.00 4.14 C ATOM 0 H ILE A 90 3.376 7.254 10.140 1.00 22.43 H new ATOM 0 HA ILE A 90 4.024 9.922 10.952 1.00 10.24 H new ATOM 0 HB ILE A 90 1.516 8.259 11.419 1.00 13.53 H new ATOM 0 HG12 ILE A 90 2.161 10.285 9.248 1.00 42.44 H new ATOM 0 HG13 ILE A 90 2.098 8.548 9.025 1.00 42.44 H new ATOM 0 HG21 ILE A 90 0.403 10.436 11.749 1.00 11.53 H new ATOM 0 HG22 ILE A 90 1.676 10.154 12.960 1.00 11.53 H new ATOM 0 HG23 ILE A 90 1.974 11.256 11.595 1.00 11.53 H new ATOM 0 HD11 ILE A 90 0.036 9.606 8.242 1.00 4.14 H new ATOM 0 HD12 ILE A 90 -0.297 8.542 9.629 1.00 4.14 H new ATOM 0 HD13 ILE A 90 -0.233 10.306 9.856 1.00 4.14 H new ATOM 1497 N LYS A 91 3.840 7.494 13.156 1.00 34.10 N ATOM 1498 CA LYS A 91 4.025 7.124 14.558 1.00 12.30 C ATOM 1499 C LYS A 91 5.421 7.471 15.045 1.00 5.41 C ATOM 1500 O LYS A 91 5.588 8.002 16.144 1.00 44.12 O ATOM 1501 CB LYS A 91 3.781 5.624 14.769 1.00 54.14 C ATOM 1502 CG LYS A 91 2.356 5.269 15.161 1.00 32.45 C ATOM 1503 CD LYS A 91 1.367 5.553 14.051 1.00 12.31 C ATOM 1504 CE LYS A 91 -0.036 5.148 14.458 1.00 22.01 C ATOM 1505 NZ LYS A 91 -1.004 5.330 13.351 1.00 3.43 N ATOM 0 H LYS A 91 3.729 6.701 12.524 1.00 34.10 H new ATOM 0 HA LYS A 91 3.296 7.694 15.134 1.00 12.30 H new ATOM 0 HB2 LYS A 91 4.035 5.094 13.851 1.00 54.14 H new ATOM 0 HB3 LYS A 91 4.458 5.263 15.543 1.00 54.14 H new ATOM 0 HG2 LYS A 91 2.307 4.213 15.427 1.00 32.45 H new ATOM 0 HG3 LYS A 91 2.074 5.835 16.049 1.00 32.45 H new ATOM 0 HD2 LYS A 91 1.386 6.615 13.805 1.00 12.31 H new ATOM 0 HD3 LYS A 91 1.659 5.012 13.151 1.00 12.31 H new ATOM 0 HE2 LYS A 91 -0.036 4.105 14.773 1.00 22.01 H new ATOM 0 HE3 LYS A 91 -0.351 5.740 15.317 1.00 22.01 H new ATOM 0 HZ1 LYS A 91 -1.952 5.042 13.668 1.00 3.43 H new ATOM 0 HZ2 LYS A 91 -1.023 6.330 13.067 1.00 3.43 H new ATOM 0 HZ3 LYS A 91 -0.718 4.745 12.540 1.00 3.43 H new ATOM 1519 N LYS A 92 6.416 7.166 14.226 1.00 71.23 N ATOM 1520 CA LYS A 92 7.800 7.430 14.575 1.00 31.35 C ATOM 1521 C LYS A 92 8.665 7.429 13.319 1.00 65.31 C ATOM 1522 O LYS A 92 9.612 6.649 13.199 1.00 31.01 O ATOM 1523 CB LYS A 92 8.299 6.367 15.560 1.00 4.11 C ATOM 1524 CG LYS A 92 9.643 6.689 16.188 1.00 55.34 C ATOM 1525 CD LYS A 92 10.174 5.502 16.969 1.00 52.52 C ATOM 1526 CE LYS A 92 11.434 5.855 17.737 1.00 14.43 C ATOM 1527 NZ LYS A 92 12.004 4.672 18.432 1.00 64.31 N ATOM 0 H LYS A 92 6.288 6.733 13.311 1.00 71.23 H new ATOM 0 HA LYS A 92 7.868 8.410 15.047 1.00 31.35 H new ATOM 0 HB2 LYS A 92 7.560 6.244 16.352 1.00 4.11 H new ATOM 0 HB3 LYS A 92 8.372 5.411 15.041 1.00 4.11 H new ATOM 0 HG2 LYS A 92 10.355 6.966 15.411 1.00 55.34 H new ATOM 0 HG3 LYS A 92 9.543 7.549 16.850 1.00 55.34 H new ATOM 0 HD2 LYS A 92 9.410 5.152 17.664 1.00 52.52 H new ATOM 0 HD3 LYS A 92 10.383 4.680 16.285 1.00 52.52 H new ATOM 0 HE2 LYS A 92 12.175 6.266 17.051 1.00 14.43 H new ATOM 0 HE3 LYS A 92 11.209 6.633 18.467 1.00 14.43 H new ATOM 0 HZ1 LYS A 92 12.864 4.952 18.946 1.00 64.31 H new ATOM 0 HZ2 LYS A 92 11.306 4.295 19.105 1.00 64.31 H new ATOM 0 HZ3 LYS A 92 12.242 3.940 17.733 1.00 64.31 H new ATOM 1541 N GLY A 93 8.325 8.284 12.369 1.00 34.45 N ATOM 1542 CA GLY A 93 9.084 8.336 11.138 1.00 75.34 C ATOM 1543 C GLY A 93 9.249 9.737 10.588 1.00 5.21 C ATOM 1544 O GLY A 93 10.103 10.500 11.046 1.00 2.50 O ATOM 0 H GLY A 93 7.544 8.938 12.426 1.00 34.45 H new ATOM 0 HA2 GLY A 93 10.070 7.903 11.310 1.00 75.34 H new ATOM 0 HA3 GLY A 93 8.590 7.716 10.390 1.00 75.34 H new ATOM 1548 N TYR A 94 8.424 10.082 9.610 1.00 32.43 N ATOM 1549 CA TYR A 94 8.600 11.314 8.869 1.00 0.45 C ATOM 1550 C TYR A 94 7.262 11.972 8.548 1.00 0.41 C ATOM 1551 O TYR A 94 7.187 13.189 8.375 1.00 45.30 O ATOM 1552 CB TYR A 94 9.340 11.006 7.575 1.00 10.51 C ATOM 1553 CG TYR A 94 10.671 11.709 7.448 1.00 42.10 C ATOM 1554 CD1 TYR A 94 11.833 11.114 7.918 1.00 50.30 C ATOM 1555 CD2 TYR A 94 10.764 12.962 6.856 1.00 61.13 C ATOM 1556 CE1 TYR A 94 13.054 11.748 7.803 1.00 40.20 C ATOM 1557 CE2 TYR A 94 11.981 13.601 6.736 1.00 44.54 C ATOM 1558 CZ TYR A 94 13.123 12.991 7.212 1.00 3.14 C ATOM 1559 OH TYR A 94 14.337 13.627 7.093 1.00 54.25 O ATOM 0 H TYR A 94 7.625 9.521 9.314 1.00 32.43 H new ATOM 0 HA TYR A 94 9.173 12.009 9.483 1.00 0.45 H new ATOM 0 HB2 TYR A 94 9.501 9.930 7.507 1.00 10.51 H new ATOM 0 HB3 TYR A 94 8.710 11.288 6.732 1.00 10.51 H new ATOM 0 HD1 TYR A 94 11.782 10.140 8.381 1.00 50.30 H new ATOM 0 HD2 TYR A 94 9.871 13.443 6.484 1.00 61.13 H new ATOM 0 HE1 TYR A 94 13.950 11.273 8.174 1.00 40.20 H new ATOM 0 HE2 TYR A 94 12.039 14.574 6.272 1.00 44.54 H new ATOM 0 HH TYR A 94 14.211 14.493 6.653 1.00 54.25 H new ATOM 1569 N MET A 95 6.211 11.165 8.474 1.00 32.43 N ATOM 1570 CA MET A 95 4.893 11.662 8.099 1.00 12.43 C ATOM 1571 C MET A 95 4.171 12.219 9.320 1.00 51.23 C ATOM 1572 O MET A 95 4.641 12.074 10.451 1.00 41.12 O ATOM 1573 CB MET A 95 4.071 10.542 7.456 1.00 1.12 C ATOM 1574 CG MET A 95 3.428 10.919 6.128 1.00 31.01 C ATOM 1575 SD MET A 95 2.297 12.317 6.262 1.00 1.33 S ATOM 1576 CE MET A 95 1.647 12.381 4.592 1.00 23.43 C ATOM 0 H MET A 95 6.245 10.164 8.669 1.00 32.43 H new ATOM 0 HA MET A 95 5.014 12.466 7.373 1.00 12.43 H new ATOM 0 HB2 MET A 95 4.716 9.677 7.301 1.00 1.12 H new ATOM 0 HB3 MET A 95 3.289 10.236 8.151 1.00 1.12 H new ATOM 0 HG2 MET A 95 4.210 11.160 5.408 1.00 31.01 H new ATOM 0 HG3 MET A 95 2.887 10.058 5.736 1.00 31.01 H new ATOM 0 HE1 MET A 95 1.670 13.409 4.232 1.00 23.43 H new ATOM 0 HE2 MET A 95 2.256 11.754 3.940 1.00 23.43 H new ATOM 0 HE3 MET A 95 0.619 12.018 4.587 1.00 23.43 H new ATOM 1586 N GLU A 96 3.031 12.845 9.092 1.00 10.20 N ATOM 1587 CA GLU A 96 2.299 13.497 10.164 1.00 71.44 C ATOM 1588 C GLU A 96 0.808 13.529 9.864 1.00 3.32 C ATOM 1589 O GLU A 96 -0.020 13.260 10.734 1.00 53.51 O ATOM 1590 CB GLU A 96 2.810 14.925 10.343 1.00 53.22 C ATOM 1591 CG GLU A 96 2.316 15.602 11.609 1.00 64.34 C ATOM 1592 CD GLU A 96 2.740 17.052 11.685 1.00 0.24 C ATOM 1593 OE1 GLU A 96 3.952 17.312 11.857 1.00 51.32 O ATOM 1594 OE2 GLU A 96 1.866 17.933 11.580 1.00 1.54 O ATOM 0 H GLU A 96 2.591 12.916 8.174 1.00 10.20 H new ATOM 0 HA GLU A 96 2.458 12.929 11.080 1.00 71.44 H new ATOM 0 HB2 GLU A 96 3.900 14.912 10.352 1.00 53.22 H new ATOM 0 HB3 GLU A 96 2.505 15.520 9.482 1.00 53.22 H new ATOM 0 HG2 GLU A 96 1.229 15.541 11.651 1.00 64.34 H new ATOM 0 HG3 GLU A 96 2.699 15.067 12.478 1.00 64.34 H new ATOM 1601 N ASN A 97 0.475 13.847 8.624 1.00 43.41 N ATOM 1602 CA ASN A 97 -0.917 14.053 8.236 1.00 41.22 C ATOM 1603 C ASN A 97 -1.409 12.910 7.368 1.00 61.43 C ATOM 1604 O ASN A 97 -0.913 12.710 6.262 1.00 24.22 O ATOM 1605 CB ASN A 97 -1.085 15.381 7.484 1.00 0.32 C ATOM 1606 CG ASN A 97 -0.649 16.580 8.304 1.00 33.03 C ATOM 1607 OD1 ASN A 97 -0.715 16.566 9.532 1.00 4.42 O ATOM 1608 ND2 ASN A 97 -0.219 17.634 7.630 1.00 32.32 N ATOM 0 H ASN A 97 1.147 13.969 7.866 1.00 43.41 H new ATOM 0 HA ASN A 97 -1.513 14.087 9.148 1.00 41.22 H new ATOM 0 HB2 ASN A 97 -0.505 15.347 6.562 1.00 0.32 H new ATOM 0 HB3 ASN A 97 -2.130 15.502 7.199 1.00 0.32 H new ATOM 0 HD21 ASN A 97 0.073 18.474 8.129 1.00 32.32 H new ATOM 0 HD22 ASN A 97 -0.179 17.606 6.611 1.00 32.32 H new ATOM 1615 N ASP A 98 -2.375 12.155 7.875 1.00 21.14 N ATOM 1616 CA ASP A 98 -2.959 11.061 7.107 1.00 35.01 C ATOM 1617 C ASP A 98 -3.615 11.574 5.833 1.00 22.52 C ATOM 1618 O ASP A 98 -4.270 12.619 5.837 1.00 64.33 O ATOM 1619 CB ASP A 98 -3.995 10.314 7.948 1.00 53.10 C ATOM 1620 CG ASP A 98 -3.797 8.813 7.927 1.00 20.14 C ATOM 1621 OD1 ASP A 98 -2.909 8.305 8.641 1.00 61.24 O ATOM 1622 OD2 ASP A 98 -4.549 8.133 7.198 1.00 60.12 O ATOM 0 H ASP A 98 -2.769 12.278 8.808 1.00 21.14 H new ATOM 0 HA ASP A 98 -2.153 10.380 6.834 1.00 35.01 H new ATOM 0 HB2 ASP A 98 -3.944 10.668 8.978 1.00 53.10 H new ATOM 0 HB3 ASP A 98 -4.993 10.549 7.579 1.00 53.10 H new ATOM 1627 N PRO A 99 -3.473 10.828 4.729 1.00 33.24 N ATOM 1628 CA PRO A 99 -4.077 11.196 3.453 1.00 25.02 C ATOM 1629 C PRO A 99 -5.579 10.936 3.433 1.00 14.03 C ATOM 1630 O PRO A 99 -6.337 11.667 2.798 1.00 41.15 O ATOM 1631 CB PRO A 99 -3.357 10.297 2.445 1.00 2.33 C ATOM 1632 CG PRO A 99 -2.935 9.104 3.231 1.00 54.13 C ATOM 1633 CD PRO A 99 -2.674 9.591 4.632 1.00 31.40 C ATOM 0 HA PRO A 99 -3.971 12.260 3.239 1.00 25.02 H new ATOM 0 HB2 PRO A 99 -4.017 10.016 1.624 1.00 2.33 H new ATOM 0 HB3 PRO A 99 -2.499 10.805 2.005 1.00 2.33 H new ATOM 0 HG2 PRO A 99 -3.712 8.339 3.224 1.00 54.13 H new ATOM 0 HG3 PRO A 99 -2.040 8.653 2.803 1.00 54.13 H new ATOM 0 HD2 PRO A 99 -2.983 8.856 5.375 1.00 31.40 H new ATOM 0 HD3 PRO A 99 -1.614 9.785 4.797 1.00 31.40 H new ATOM 1641 N PHE A 100 -6.008 9.907 4.161 1.00 64.55 N ATOM 1642 CA PHE A 100 -7.414 9.520 4.189 1.00 33.22 C ATOM 1643 C PHE A 100 -8.255 10.525 4.969 1.00 1.43 C ATOM 1644 O PHE A 100 -9.487 10.498 4.910 1.00 61.00 O ATOM 1645 CB PHE A 100 -7.573 8.115 4.772 1.00 35.21 C ATOM 1646 CG PHE A 100 -7.278 7.020 3.784 1.00 54.24 C ATOM 1647 CD1 PHE A 100 -5.987 6.801 3.328 1.00 34.44 C ATOM 1648 CD2 PHE A 100 -8.298 6.212 3.310 1.00 1.44 C ATOM 1649 CE1 PHE A 100 -5.720 5.795 2.418 1.00 0.04 C ATOM 1650 CE2 PHE A 100 -8.036 5.204 2.401 1.00 30.42 C ATOM 1651 CZ PHE A 100 -6.745 4.995 1.954 1.00 2.10 C ATOM 0 H PHE A 100 -5.400 9.327 4.739 1.00 64.55 H new ATOM 0 HA PHE A 100 -7.777 9.513 3.161 1.00 33.22 H new ATOM 0 HB2 PHE A 100 -6.909 8.009 5.630 1.00 35.21 H new ATOM 0 HB3 PHE A 100 -8.592 7.996 5.141 1.00 35.21 H new ATOM 0 HD1 PHE A 100 -5.181 7.423 3.688 1.00 34.44 H new ATOM 0 HD2 PHE A 100 -9.309 6.371 3.654 1.00 1.44 H new ATOM 0 HE1 PHE A 100 -4.710 5.635 2.070 1.00 0.04 H new ATOM 0 HE2 PHE A 100 -8.840 4.580 2.040 1.00 30.42 H new ATOM 0 HZ PHE A 100 -6.539 4.208 1.244 1.00 2.10 H new ATOM 1661 N LYS A 101 -7.588 11.433 5.669 1.00 71.50 N ATOM 1662 CA LYS A 101 -8.267 12.483 6.391 1.00 21.31 C ATOM 1663 C LYS A 101 -8.892 13.462 5.399 1.00 15.51 C ATOM 1664 O LYS A 101 -9.982 13.987 5.624 1.00 41.35 O ATOM 1665 CB LYS A 101 -7.266 13.170 7.331 1.00 35.43 C ATOM 1666 CG LYS A 101 -7.838 14.336 8.116 1.00 2.43 C ATOM 1667 CD LYS A 101 -7.679 15.646 7.367 1.00 13.32 C ATOM 1668 CE LYS A 101 -6.228 16.092 7.309 1.00 51.11 C ATOM 1669 NZ LYS A 101 -6.073 17.385 6.592 1.00 2.21 N ATOM 0 H LYS A 101 -6.571 11.457 5.748 1.00 71.50 H new ATOM 0 HA LYS A 101 -9.074 12.074 6.999 1.00 21.31 H new ATOM 0 HB2 LYS A 101 -6.880 12.431 8.033 1.00 35.43 H new ATOM 0 HB3 LYS A 101 -6.419 13.525 6.743 1.00 35.43 H new ATOM 0 HG2 LYS A 101 -8.894 14.157 8.317 1.00 2.43 H new ATOM 0 HG3 LYS A 101 -7.337 14.405 9.082 1.00 2.43 H new ATOM 0 HD2 LYS A 101 -8.065 15.534 6.354 1.00 13.32 H new ATOM 0 HD3 LYS A 101 -8.277 16.417 7.853 1.00 13.32 H new ATOM 0 HE2 LYS A 101 -5.838 16.190 8.322 1.00 51.11 H new ATOM 0 HE3 LYS A 101 -5.633 15.327 6.810 1.00 51.11 H new ATOM 0 HZ1 LYS A 101 -5.287 17.922 7.011 1.00 2.21 H new ATOM 0 HZ2 LYS A 101 -5.872 17.203 5.588 1.00 2.21 H new ATOM 0 HZ3 LYS A 101 -6.952 17.935 6.675 1.00 2.21 H new ATOM 1683 N ASP A 102 -8.204 13.687 4.287 1.00 52.34 N ATOM 1684 CA ASP A 102 -8.717 14.541 3.232 1.00 23.45 C ATOM 1685 C ASP A 102 -9.381 13.710 2.149 1.00 43.40 C ATOM 1686 O ASP A 102 -10.260 14.186 1.434 1.00 31.32 O ATOM 1687 CB ASP A 102 -7.589 15.374 2.631 1.00 63.21 C ATOM 1688 CG ASP A 102 -7.131 16.485 3.552 1.00 4.23 C ATOM 1689 OD1 ASP A 102 -7.890 17.458 3.738 1.00 53.15 O ATOM 1690 OD2 ASP A 102 -6.009 16.397 4.087 1.00 71.13 O ATOM 0 H ASP A 102 -7.286 13.286 4.095 1.00 52.34 H new ATOM 0 HA ASP A 102 -9.461 15.211 3.664 1.00 23.45 H new ATOM 0 HB2 ASP A 102 -6.744 14.724 2.404 1.00 63.21 H new ATOM 0 HB3 ASP A 102 -7.923 15.804 1.687 1.00 63.21 H new ATOM 1695 N PHE A 103 -8.954 12.462 2.050 1.00 74.25 N ATOM 1696 CA PHE A 103 -9.468 11.533 1.048 1.00 23.23 C ATOM 1697 C PHE A 103 -10.926 11.179 1.335 1.00 62.43 C ATOM 1698 O PHE A 103 -11.746 11.096 0.421 1.00 10.42 O ATOM 1699 CB PHE A 103 -8.609 10.263 1.031 1.00 62.32 C ATOM 1700 CG PHE A 103 -8.950 9.289 -0.064 1.00 55.40 C ATOM 1701 CD1 PHE A 103 -8.437 9.454 -1.341 1.00 61.31 C ATOM 1702 CD2 PHE A 103 -9.765 8.196 0.189 1.00 4.14 C ATOM 1703 CE1 PHE A 103 -8.733 8.550 -2.345 1.00 13.31 C ATOM 1704 CE2 PHE A 103 -10.067 7.292 -0.813 1.00 60.21 C ATOM 1705 CZ PHE A 103 -9.550 7.469 -2.080 1.00 51.03 C ATOM 0 H PHE A 103 -8.242 12.061 2.660 1.00 74.25 H new ATOM 0 HA PHE A 103 -9.420 12.013 0.070 1.00 23.23 H new ATOM 0 HB2 PHE A 103 -7.562 10.550 0.931 1.00 62.32 H new ATOM 0 HB3 PHE A 103 -8.711 9.759 1.992 1.00 62.32 H new ATOM 0 HD1 PHE A 103 -7.799 10.299 -1.555 1.00 61.31 H new ATOM 0 HD2 PHE A 103 -10.169 8.049 1.180 1.00 4.14 H new ATOM 0 HE1 PHE A 103 -8.325 8.690 -3.335 1.00 13.31 H new ATOM 0 HE2 PHE A 103 -10.707 6.448 -0.604 1.00 60.21 H new ATOM 0 HZ PHE A 103 -9.784 6.763 -2.863 1.00 51.03 H new ATOM 1715 N GLY A 104 -11.238 10.965 2.606 1.00 74.53 N ATOM 1716 CA GLY A 104 -12.601 10.658 2.992 1.00 61.04 C ATOM 1717 C GLY A 104 -13.492 11.883 2.954 1.00 51.12 C ATOM 1718 O GLY A 104 -14.702 11.768 2.756 1.00 24.22 O ATOM 0 H GLY A 104 -10.571 10.999 3.377 1.00 74.53 H new ATOM 0 HA2 GLY A 104 -13.004 9.896 2.325 1.00 61.04 H new ATOM 0 HA3 GLY A 104 -12.607 10.237 3.997 1.00 61.04 H new ATOM 1722 N LEU A 105 -12.878 13.052 3.172 1.00 3.34 N ATOM 1723 CA LEU A 105 -13.566 14.350 3.114 1.00 52.32 C ATOM 1724 C LEU A 105 -14.521 14.541 4.299 1.00 31.33 C ATOM 1725 O LEU A 105 -15.089 15.621 4.473 1.00 22.13 O ATOM 1726 CB LEU A 105 -14.318 14.501 1.778 1.00 13.44 C ATOM 1727 CG LEU A 105 -15.054 15.831 1.574 1.00 75.02 C ATOM 1728 CD1 LEU A 105 -14.081 16.999 1.608 1.00 44.13 C ATOM 1729 CD2 LEU A 105 -15.827 15.813 0.264 1.00 33.52 C ATOM 0 H LEU A 105 -11.885 13.126 3.395 1.00 3.34 H new ATOM 0 HA LEU A 105 -12.807 15.130 3.179 1.00 52.32 H new ATOM 0 HB2 LEU A 105 -13.604 14.374 0.964 1.00 13.44 H new ATOM 0 HB3 LEU A 105 -15.042 13.690 1.696 1.00 13.44 H new ATOM 0 HG LEU A 105 -15.763 15.960 2.392 1.00 75.02 H new ATOM 0 HD11 LEU A 105 -14.626 17.931 1.461 1.00 44.13 H new ATOM 0 HD12 LEU A 105 -13.575 17.023 2.573 1.00 44.13 H new ATOM 0 HD13 LEU A 105 -13.343 16.881 0.814 1.00 44.13 H new ATOM 0 HD21 LEU A 105 -16.344 16.764 0.134 1.00 33.52 H new ATOM 0 HD22 LEU A 105 -15.135 15.659 -0.564 1.00 33.52 H new ATOM 0 HD23 LEU A 105 -16.556 15.003 0.283 1.00 33.52 H new ATOM 1741 N GLU A 106 -14.655 13.501 5.122 1.00 1.14 N ATOM 1742 CA GLU A 106 -15.590 13.485 6.248 1.00 42.15 C ATOM 1743 C GLU A 106 -17.038 13.445 5.754 1.00 10.10 C ATOM 1744 O GLU A 106 -17.418 14.153 4.820 1.00 1.35 O ATOM 1745 CB GLU A 106 -15.364 14.686 7.179 1.00 22.34 C ATOM 1746 CG GLU A 106 -16.210 14.651 8.440 1.00 74.00 C ATOM 1747 CD GLU A 106 -16.076 13.339 9.183 1.00 1.22 C ATOM 1748 OE1 GLU A 106 -15.076 13.154 9.898 1.00 35.03 O ATOM 1749 OE2 GLU A 106 -16.966 12.475 9.035 1.00 43.41 O ATOM 0 H GLU A 106 -14.115 12.641 5.026 1.00 1.14 H new ATOM 0 HA GLU A 106 -15.401 12.578 6.823 1.00 42.15 H new ATOM 0 HB2 GLU A 106 -14.311 14.723 7.460 1.00 22.34 H new ATOM 0 HB3 GLU A 106 -15.581 15.604 6.632 1.00 22.34 H new ATOM 0 HG2 GLU A 106 -15.915 15.470 9.096 1.00 74.00 H new ATOM 0 HG3 GLU A 106 -17.256 14.813 8.178 1.00 74.00 H new ATOM 1756 N HIS A 107 -17.843 12.609 6.385 1.00 72.22 N ATOM 1757 CA HIS A 107 -19.231 12.449 5.985 1.00 12.01 C ATOM 1758 C HIS A 107 -20.149 13.106 7.013 1.00 43.20 C ATOM 1759 O HIS A 107 -21.363 13.162 6.837 1.00 23.24 O ATOM 1760 CB HIS A 107 -19.564 10.961 5.827 1.00 10.31 C ATOM 1761 CG HIS A 107 -20.874 10.699 5.150 1.00 51.54 C ATOM 1762 ND1 HIS A 107 -21.923 10.059 5.768 1.00 2.51 N ATOM 1763 CD2 HIS A 107 -21.295 10.974 3.893 1.00 23.53 C ATOM 1764 CE1 HIS A 107 -22.929 9.953 4.923 1.00 31.40 C ATOM 1765 NE2 HIS A 107 -22.577 10.500 3.777 1.00 11.02 N ATOM 0 H HIS A 107 -17.560 12.030 7.176 1.00 72.22 H new ATOM 0 HA HIS A 107 -19.386 12.938 5.023 1.00 12.01 H new ATOM 0 HB2 HIS A 107 -18.769 10.480 5.257 1.00 10.31 H new ATOM 0 HB3 HIS A 107 -19.576 10.495 6.812 1.00 10.31 H new ATOM 0 HD2 HIS A 107 -20.726 11.474 3.123 1.00 23.53 H new ATOM 0 HE1 HIS A 107 -23.883 9.494 5.135 1.00 31.40 H new ATOM 0 HE2 HIS A 107 -23.161 10.561 2.943 1.00 11.02 H new ATOM 1774 N HIS A 108 -19.550 13.600 8.085 1.00 64.44 N ATOM 1775 CA HIS A 108 -20.292 14.286 9.137 1.00 62.21 C ATOM 1776 C HIS A 108 -20.165 15.791 8.969 1.00 32.14 C ATOM 1777 O HIS A 108 -19.421 16.263 8.110 1.00 61.21 O ATOM 1778 CB HIS A 108 -19.759 13.895 10.518 1.00 41.14 C ATOM 1779 CG HIS A 108 -19.881 12.437 10.838 1.00 51.33 C ATOM 1780 ND1 HIS A 108 -18.893 11.525 10.556 1.00 60.34 N ATOM 1781 CD2 HIS A 108 -20.870 11.743 11.443 1.00 32.50 C ATOM 1782 CE1 HIS A 108 -19.266 10.333 10.975 1.00 55.44 C ATOM 1783 NE2 HIS A 108 -20.463 10.435 11.518 1.00 34.20 N ATOM 0 H HIS A 108 -18.546 13.539 8.252 1.00 64.44 H new ATOM 0 HA HIS A 108 -21.339 13.991 9.059 1.00 62.21 H new ATOM 0 HB2 HIS A 108 -18.710 14.182 10.584 1.00 41.14 H new ATOM 0 HB3 HIS A 108 -20.294 14.467 11.276 1.00 41.14 H new ATOM 0 HD1 HIS A 108 -18.009 11.738 10.094 1.00 60.34 H new ATOM 0 HD2 HIS A 108 -21.807 12.144 11.801 1.00 32.50 H new ATOM 0 HE1 HIS A 108 -18.688 9.425 10.888 1.00 55.44 H new ATOM 1792 N HIS A 109 -20.883 16.542 9.791 1.00 53.40 N ATOM 1793 CA HIS A 109 -20.744 17.991 9.813 1.00 71.00 C ATOM 1794 C HIS A 109 -20.385 18.451 11.222 1.00 13.14 C ATOM 1795 O HIS A 109 -21.195 18.359 12.147 1.00 20.53 O ATOM 1796 CB HIS A 109 -22.028 18.678 9.337 1.00 23.34 C ATOM 1797 CG HIS A 109 -21.862 20.150 9.088 1.00 10.34 C ATOM 1798 ND1 HIS A 109 -21.270 20.657 7.952 1.00 54.44 N ATOM 1799 CD2 HIS A 109 -22.207 21.225 9.836 1.00 63.13 C ATOM 1800 CE1 HIS A 109 -21.258 21.974 8.012 1.00 34.32 C ATOM 1801 NE2 HIS A 109 -21.818 22.345 9.145 1.00 1.04 N ATOM 0 H HIS A 109 -21.567 16.173 10.451 1.00 53.40 H new ATOM 0 HA HIS A 109 -19.944 18.272 9.128 1.00 71.00 H new ATOM 0 HB2 HIS A 109 -22.369 18.198 8.419 1.00 23.34 H new ATOM 0 HB3 HIS A 109 -22.808 18.529 10.083 1.00 23.34 H new ATOM 0 HD2 HIS A 109 -22.697 21.205 10.798 1.00 63.13 H new ATOM 0 HE1 HIS A 109 -20.857 22.637 7.259 1.00 34.32 H new ATOM 0 HE2 HIS A 109 -21.942 23.308 9.458 1.00 1.04 H new ATOM 1810 N HIS A 110 -19.167 18.935 11.372 1.00 44.22 N ATOM 1811 CA HIS A 110 -18.650 19.351 12.665 1.00 41.14 C ATOM 1812 C HIS A 110 -18.582 20.874 12.729 1.00 65.35 C ATOM 1813 O HIS A 110 -17.957 21.500 11.874 1.00 11.30 O ATOM 1814 CB HIS A 110 -17.255 18.748 12.865 1.00 54.21 C ATOM 1815 CG HIS A 110 -16.664 18.964 14.224 1.00 12.13 C ATOM 1816 ND1 HIS A 110 -15.956 20.095 14.564 1.00 35.32 N ATOM 1817 CD2 HIS A 110 -16.654 18.174 15.323 1.00 22.53 C ATOM 1818 CE1 HIS A 110 -15.535 19.991 15.808 1.00 52.33 C ATOM 1819 NE2 HIS A 110 -15.945 18.837 16.291 1.00 62.11 N ATOM 0 H HIS A 110 -18.507 19.052 10.603 1.00 44.22 H new ATOM 0 HA HIS A 110 -19.311 18.999 13.457 1.00 41.14 H new ATOM 0 HB2 HIS A 110 -17.308 17.676 12.674 1.00 54.21 H new ATOM 0 HB3 HIS A 110 -16.582 19.172 12.120 1.00 54.21 H new ATOM 0 HD2 HIS A 110 -17.118 17.203 15.419 1.00 22.53 H new ATOM 0 HE1 HIS A 110 -14.952 20.728 16.341 1.00 52.33 H new ATOM 0 HE2 HIS A 110 -15.764 18.492 17.234 1.00 62.11 H new ATOM 1828 N HIS A 111 -19.221 21.475 13.732 1.00 24.30 N ATOM 1829 CA HIS A 111 -19.196 22.929 13.855 1.00 3.20 C ATOM 1830 C HIS A 111 -17.817 23.374 14.331 1.00 14.43 C ATOM 1831 O HIS A 111 -17.371 23.014 15.421 1.00 43.41 O ATOM 1832 CB HIS A 111 -20.325 23.470 14.768 1.00 41.10 C ATOM 1833 CG HIS A 111 -20.201 23.176 16.239 1.00 41.02 C ATOM 1834 ND1 HIS A 111 -19.596 24.040 17.128 1.00 43.41 N ATOM 1835 CD2 HIS A 111 -20.653 22.139 16.983 1.00 54.12 C ATOM 1836 CE1 HIS A 111 -19.679 23.546 18.349 1.00 21.32 C ATOM 1837 NE2 HIS A 111 -20.316 22.395 18.290 1.00 34.20 N ATOM 0 H HIS A 111 -19.751 20.989 14.456 1.00 24.30 H new ATOM 0 HA HIS A 111 -19.387 23.357 12.871 1.00 3.20 H new ATOM 0 HB2 HIS A 111 -20.378 24.551 14.640 1.00 41.10 H new ATOM 0 HB3 HIS A 111 -21.272 23.061 14.417 1.00 41.10 H new ATOM 0 HD2 HIS A 111 -21.181 21.271 16.617 1.00 54.12 H new ATOM 0 HE1 HIS A 111 -19.290 24.008 19.245 1.00 21.32 H new ATOM 0 HE2 HIS A 111 -20.525 21.792 19.085 1.00 34.20 H new ATOM 1846 N HIS A 112 -17.128 24.112 13.477 1.00 32.00 N ATOM 1847 CA HIS A 112 -15.759 24.518 13.736 1.00 51.44 C ATOM 1848 C HIS A 112 -15.501 25.884 13.116 1.00 41.33 C ATOM 1849 O HIS A 112 -15.462 26.881 13.863 1.00 36.14 O ATOM 1850 CB HIS A 112 -14.787 23.473 13.165 1.00 43.43 C ATOM 1851 CG HIS A 112 -13.337 23.789 13.383 1.00 1.23 C ATOM 1852 ND1 HIS A 112 -12.465 24.072 12.354 1.00 51.43 N ATOM 1853 CD2 HIS A 112 -12.602 23.843 14.518 1.00 51.02 C ATOM 1854 CE1 HIS A 112 -11.259 24.283 12.847 1.00 44.33 C ATOM 1855 NE2 HIS A 112 -11.315 24.151 14.158 1.00 61.15 N ATOM 1856 OXT HIS A 112 -15.361 25.957 11.882 1.00 36.14 O ATOM 0 H HIS A 112 -17.501 24.445 12.588 1.00 32.00 H new ATOM 0 HA HIS A 112 -15.600 24.588 14.812 1.00 51.44 H new ATOM 0 HB2 HIS A 112 -15.007 22.506 13.616 1.00 43.43 H new ATOM 0 HB3 HIS A 112 -14.967 23.374 12.095 1.00 43.43 H new ATOM 0 HD2 HIS A 112 -12.962 23.675 15.522 1.00 51.02 H new ATOM 0 HE1 HIS A 112 -10.376 24.523 12.274 1.00 44.33 H new ATOM 0 HE2 HIS A 112 -10.529 24.260 14.799 1.00 61.15 H new TER 1865 HIS A 112