USER MOD reduce.3.24.130724 H: found=0, std=0, add=943, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 943 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 108 HIS : no HD1:sc= -0.0859 X(o=-0.17,f=-0.00028) USER MOD Set 1.2: A 109 HIS : no HD1:sc= -0.0849 X(o=-0.17,f=-0.00028) USER MOD Set 2.1: A 59 SER OG : rot 95:sc= 0.949 USER MOD Set 2.2: A 60 ASN :FLIP amide:sc= 0.878 F(o=-0.48,f=1.8) USER MOD Single : A 1 MET CE :methyl -161:sc= -0.0222 (180deg=-0.572) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0.425 USER MOD Single : A 10 ASN : amide:sc=-0.00809 X(o=-0.0081,f=0) USER MOD Single : A 12 LYS NZ :NH3+ 168:sc=-0.00906 (180deg=-0.183) USER MOD Single : A 13 LYS NZ :NH3+ 166:sc= -0.0368 (180deg=-0.232) USER MOD Single : A 20 LYS NZ :NH3+ -160:sc= 1.15 (180deg=0.465) USER MOD Single : A 21 MET CE :methyl -162:sc= -0.311 (180deg=-0.967) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -165:sc= -0.0686 (180deg=-0.306) USER MOD Single : A 34 THR OG1 : rot -130:sc= -0.655 USER MOD Single : A 39 LYS NZ :NH3+ 165:sc= -0.0439 (180deg=-0.286) USER MOD Single : A 40 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0138) USER MOD Single : A 41 TYR OH : rot -127:sc= 0.205 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 1.15 (180deg=1.15) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.198 X(o=-0.2,f=-0.2) USER MOD Single : A 53 LYS NZ :NH3+ -150:sc= 1.14 (180deg=0.469) USER MOD Single : A 66 LYS NZ :NH3+ 174:sc= 1.05 (180deg=1.03) USER MOD Single : A 68 LYS NZ :NH3+ -176:sc= -2.52 (180deg=-2.58) USER MOD Single : A 72 GLN :FLIP amide:sc= -0.025 F(o=-1.9,f=-0.025) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl 177:sc= -2.68 (180deg=-2.71) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -160:sc= 1.01 (180deg=0.243) USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.136 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -179:sc= 1.12 (180deg=1.11) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 SER OG : rot -160:sc= -0.165 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 106 HIS : no HD1:sc= -0.102 X(o=-0.1,f=-0.012) USER MOD Single : A 107 HIS : no HD1:sc= -0.0306 X(o=-0.031,f=-0.035) USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.658 17.068 4.635 1.00 11.32 N ATOM 2 CA MET A 1 -1.320 15.921 3.955 1.00 13.42 C ATOM 3 C MET A 1 -0.583 14.608 4.266 1.00 14.55 C ATOM 4 O MET A 1 0.580 14.440 3.894 1.00 13.33 O ATOM 5 CB MET A 1 -1.353 16.159 2.438 1.00 52.33 C ATOM 6 CG MET A 1 -2.226 15.170 1.677 1.00 71.33 C ATOM 7 SD MET A 1 -3.978 15.349 2.070 1.00 45.23 S ATOM 8 CE MET A 1 -4.690 14.033 1.084 1.00 11.05 C ATOM 0 H1 MET A 1 -1.170 17.946 4.413 1.00 11.32 H new ATOM 0 H2 MET A 1 -0.666 16.913 5.663 1.00 11.32 H new ATOM 0 H3 MET A 1 0.325 17.147 4.304 1.00 11.32 H new ATOM 0 HA MET A 1 -2.341 15.840 4.327 1.00 13.42 H new ATOM 0 HB2 MET A 1 -1.714 17.169 2.246 1.00 52.33 H new ATOM 0 HB3 MET A 1 -0.336 16.105 2.049 1.00 52.33 H new ATOM 0 HG2 MET A 1 -2.081 15.312 0.606 1.00 71.33 H new ATOM 0 HG3 MET A 1 -1.907 14.154 1.910 1.00 71.33 H new ATOM 0 HE1 MET A 1 -5.756 14.216 0.948 1.00 11.05 H new ATOM 0 HE2 MET A 1 -4.200 14.002 0.111 1.00 11.05 H new ATOM 0 HE3 MET A 1 -4.548 13.080 1.593 1.00 11.05 H new ATOM 20 N LEU A 2 -1.264 13.681 4.935 1.00 41.33 N ATOM 21 CA LEU A 2 -0.650 12.421 5.370 1.00 13.22 C ATOM 22 C LEU A 2 -0.496 11.423 4.202 1.00 52.33 C ATOM 23 O LEU A 2 -1.388 11.291 3.359 1.00 71.14 O ATOM 24 CB LEU A 2 -1.474 11.772 6.498 1.00 3.32 C ATOM 25 CG LEU A 2 -1.726 12.642 7.755 1.00 61.25 C ATOM 26 CD1 LEU A 2 -2.966 13.522 7.593 1.00 43.40 C ATOM 27 CD2 LEU A 2 -1.840 11.766 9.006 1.00 60.44 C ATOM 0 H LEU A 2 -2.247 13.776 5.191 1.00 41.33 H new ATOM 0 HA LEU A 2 0.345 12.665 5.744 1.00 13.22 H new ATOM 0 HB2 LEU A 2 -2.440 11.475 6.089 1.00 3.32 H new ATOM 0 HB3 LEU A 2 -0.966 10.859 6.810 1.00 3.32 H new ATOM 0 HG LEU A 2 -0.868 13.304 7.874 1.00 61.25 H new ATOM 0 HD11 LEU A 2 -3.110 14.117 8.495 1.00 43.40 H new ATOM 0 HD12 LEU A 2 -2.833 14.185 6.738 1.00 43.40 H new ATOM 0 HD13 LEU A 2 -3.841 12.892 7.431 1.00 43.40 H new ATOM 0 HD21 LEU A 2 -2.017 12.397 9.877 1.00 60.44 H new ATOM 0 HD22 LEU A 2 -2.670 11.069 8.888 1.00 60.44 H new ATOM 0 HD23 LEU A 2 -0.914 11.207 9.145 1.00 60.44 H new ATOM 39 N LEU A 3 0.636 10.714 4.172 1.00 5.33 N ATOM 40 CA LEU A 3 0.935 9.740 3.105 1.00 64.43 C ATOM 41 C LEU A 3 1.498 8.428 3.690 1.00 73.32 C ATOM 42 O LEU A 3 2.493 8.440 4.419 1.00 12.42 O ATOM 43 CB LEU A 3 1.946 10.338 2.109 1.00 61.32 C ATOM 44 CG LEU A 3 1.464 11.571 1.323 1.00 14.31 C ATOM 45 CD1 LEU A 3 2.604 12.169 0.499 1.00 52.41 C ATOM 46 CD2 LEU A 3 0.288 11.204 0.423 1.00 53.42 C ATOM 0 H LEU A 3 1.368 10.794 4.877 1.00 5.33 H new ATOM 0 HA LEU A 3 0.003 9.514 2.586 1.00 64.43 H new ATOM 0 HB2 LEU A 3 2.849 10.610 2.656 1.00 61.32 H new ATOM 0 HB3 LEU A 3 2.226 9.563 1.396 1.00 61.32 H new ATOM 0 HG LEU A 3 1.131 12.323 2.038 1.00 14.31 H new ATOM 0 HD11 LEU A 3 2.240 13.039 -0.048 1.00 52.41 H new ATOM 0 HD12 LEU A 3 3.414 12.471 1.163 1.00 52.41 H new ATOM 0 HD13 LEU A 3 2.972 11.425 -0.207 1.00 52.41 H new ATOM 0 HD21 LEU A 3 -0.040 12.087 -0.125 1.00 53.42 H new ATOM 0 HD22 LEU A 3 0.597 10.433 -0.283 1.00 53.42 H new ATOM 0 HD23 LEU A 3 -0.534 10.830 1.033 1.00 53.42 H new ATOM 58 N TYR A 4 0.860 7.301 3.365 1.00 52.23 N ATOM 59 CA TYR A 4 1.282 5.982 3.876 1.00 33.20 C ATOM 60 C TYR A 4 1.300 4.925 2.760 1.00 0.02 C ATOM 61 O TYR A 4 0.627 5.072 1.740 1.00 65.01 O ATOM 62 CB TYR A 4 0.349 5.518 5.005 1.00 41.54 C ATOM 63 CG TYR A 4 0.335 6.438 6.212 1.00 71.34 C ATOM 64 CD1 TYR A 4 -0.528 7.525 6.269 1.00 1.22 C ATOM 65 CD2 TYR A 4 1.179 6.216 7.294 1.00 23.03 C ATOM 66 CE1 TYR A 4 -0.548 8.364 7.363 1.00 53.22 C ATOM 67 CE2 TYR A 4 1.162 7.053 8.393 1.00 13.41 C ATOM 68 CZ TYR A 4 0.297 8.124 8.422 1.00 3.01 C ATOM 69 OH TYR A 4 0.281 8.963 9.511 1.00 10.43 O ATOM 0 H TYR A 4 0.047 7.269 2.750 1.00 52.23 H new ATOM 0 HA TYR A 4 2.295 6.092 4.264 1.00 33.20 H new ATOM 0 HB2 TYR A 4 -0.665 5.434 4.613 1.00 41.54 H new ATOM 0 HB3 TYR A 4 0.651 4.521 5.325 1.00 41.54 H new ATOM 0 HD1 TYR A 4 -1.195 7.716 5.442 1.00 1.22 H new ATOM 0 HD2 TYR A 4 1.858 5.377 7.275 1.00 23.03 H new ATOM 0 HE1 TYR A 4 -1.224 9.206 7.389 1.00 53.22 H new ATOM 0 HE2 TYR A 4 1.824 6.868 9.226 1.00 13.41 H new ATOM 0 HH TYR A 4 0.936 8.654 10.171 1.00 10.43 H new ATOM 79 N VAL A 5 2.074 3.856 2.962 1.00 50.35 N ATOM 80 CA VAL A 5 2.180 2.769 1.976 1.00 61.15 C ATOM 81 C VAL A 5 1.980 1.386 2.628 1.00 41.11 C ATOM 82 O VAL A 5 2.586 1.081 3.655 1.00 60.20 O ATOM 83 CB VAL A 5 3.559 2.789 1.257 1.00 44.31 C ATOM 84 CG1 VAL A 5 3.652 1.672 0.216 1.00 44.34 C ATOM 85 CG2 VAL A 5 3.818 4.151 0.611 1.00 41.23 C ATOM 0 H VAL A 5 2.639 3.717 3.800 1.00 50.35 H new ATOM 0 HA VAL A 5 1.388 2.937 1.246 1.00 61.15 H new ATOM 0 HB VAL A 5 4.329 2.616 2.009 1.00 44.31 H new ATOM 0 HG11 VAL A 5 4.626 1.709 -0.272 1.00 44.34 H new ATOM 0 HG12 VAL A 5 3.528 0.706 0.706 1.00 44.34 H new ATOM 0 HG13 VAL A 5 2.868 1.803 -0.530 1.00 44.34 H new ATOM 0 HG21 VAL A 5 4.788 4.140 0.115 1.00 41.23 H new ATOM 0 HG22 VAL A 5 3.038 4.361 -0.121 1.00 41.23 H new ATOM 0 HG23 VAL A 5 3.812 4.925 1.379 1.00 41.23 H new ATOM 95 N LEU A 6 1.120 0.562 2.028 1.00 30.21 N ATOM 96 CA LEU A 6 0.911 -0.827 2.470 1.00 14.34 C ATOM 97 C LEU A 6 1.323 -1.809 1.365 1.00 65.04 C ATOM 98 O LEU A 6 0.816 -1.741 0.246 1.00 61.52 O ATOM 99 CB LEU A 6 -0.564 -1.059 2.836 1.00 52.11 C ATOM 100 CG LEU A 6 -1.093 -0.243 4.028 1.00 42.21 C ATOM 101 CD1 LEU A 6 -2.578 -0.524 4.259 1.00 21.44 C ATOM 102 CD2 LEU A 6 -0.285 -0.546 5.288 1.00 54.03 C ATOM 0 H LEU A 6 0.550 0.831 1.227 1.00 30.21 H new ATOM 0 HA LEU A 6 1.529 -0.999 3.351 1.00 14.34 H new ATOM 0 HB2 LEU A 6 -1.176 -0.831 1.963 1.00 52.11 H new ATOM 0 HB3 LEU A 6 -0.703 -2.118 3.054 1.00 52.11 H new ATOM 0 HG LEU A 6 -0.979 0.816 3.795 1.00 42.21 H new ATOM 0 HD11 LEU A 6 -2.932 0.063 5.106 1.00 21.44 H new ATOM 0 HD12 LEU A 6 -3.143 -0.251 3.368 1.00 21.44 H new ATOM 0 HD13 LEU A 6 -2.719 -1.584 4.468 1.00 21.44 H new ATOM 0 HD21 LEU A 6 -0.674 0.041 6.120 1.00 54.03 H new ATOM 0 HD22 LEU A 6 -0.364 -1.607 5.524 1.00 54.03 H new ATOM 0 HD23 LEU A 6 0.761 -0.288 5.120 1.00 54.03 H new ATOM 114 N ILE A 7 2.234 -2.727 1.677 1.00 54.02 N ATOM 115 CA ILE A 7 2.719 -3.694 0.685 1.00 1.32 C ATOM 116 C ILE A 7 2.300 -5.136 1.030 1.00 52.14 C ATOM 117 O ILE A 7 2.519 -5.615 2.145 1.00 21.30 O ATOM 118 CB ILE A 7 4.262 -3.619 0.532 1.00 62.11 C ATOM 119 CG1 ILE A 7 4.752 -4.656 -0.494 1.00 75.22 C ATOM 120 CG2 ILE A 7 4.957 -3.812 1.879 1.00 65.21 C ATOM 121 CD1 ILE A 7 6.250 -4.651 -0.702 1.00 34.42 C ATOM 0 H ILE A 7 2.652 -2.825 2.602 1.00 54.02 H new ATOM 0 HA ILE A 7 2.255 -3.423 -0.264 1.00 1.32 H new ATOM 0 HB ILE A 7 4.520 -2.626 0.165 1.00 62.11 H new ATOM 0 HG12 ILE A 7 4.444 -5.649 -0.168 1.00 75.22 H new ATOM 0 HG13 ILE A 7 4.262 -4.468 -1.449 1.00 75.22 H new ATOM 0 HG21 ILE A 7 6.037 -3.755 1.743 1.00 65.21 H new ATOM 0 HG22 ILE A 7 4.637 -3.031 2.569 1.00 65.21 H new ATOM 0 HG23 ILE A 7 4.694 -4.788 2.288 1.00 65.21 H new ATOM 0 HD11 ILE A 7 6.518 -5.409 -1.439 1.00 34.42 H new ATOM 0 HD12 ILE A 7 6.564 -3.670 -1.059 1.00 34.42 H new ATOM 0 HD13 ILE A 7 6.749 -4.870 0.242 1.00 34.42 H new ATOM 133 N ILE A 8 1.692 -5.817 0.060 1.00 45.11 N ATOM 134 CA ILE A 8 1.287 -7.219 0.211 1.00 73.14 C ATOM 135 C ILE A 8 2.033 -8.108 -0.799 1.00 21.43 C ATOM 136 O ILE A 8 1.714 -8.112 -1.991 1.00 13.44 O ATOM 137 CB ILE A 8 -0.241 -7.384 -0.010 1.00 63.41 C ATOM 138 CG1 ILE A 8 -1.026 -6.418 0.895 1.00 31.22 C ATOM 139 CG2 ILE A 8 -0.671 -8.832 0.240 1.00 72.13 C ATOM 140 CD1 ILE A 8 -2.521 -6.419 0.648 1.00 35.22 C ATOM 0 H ILE A 8 1.466 -5.417 -0.851 1.00 45.11 H new ATOM 0 HA ILE A 8 1.538 -7.525 1.227 1.00 73.14 H new ATOM 0 HB ILE A 8 -0.465 -7.138 -1.048 1.00 63.41 H new ATOM 0 HG12 ILE A 8 -0.840 -6.680 1.937 1.00 31.22 H new ATOM 0 HG13 ILE A 8 -0.645 -5.408 0.748 1.00 31.22 H new ATOM 0 HG21 ILE A 8 -1.745 -8.925 0.080 1.00 72.13 H new ATOM 0 HG22 ILE A 8 -0.143 -9.492 -0.448 1.00 72.13 H new ATOM 0 HG23 ILE A 8 -0.432 -9.111 1.266 1.00 72.13 H new ATOM 0 HD11 ILE A 8 -3.002 -5.713 1.325 1.00 35.22 H new ATOM 0 HD12 ILE A 8 -2.720 -6.126 -0.383 1.00 35.22 H new ATOM 0 HD13 ILE A 8 -2.918 -7.419 0.824 1.00 35.22 H new ATOM 152 N SER A 9 3.028 -8.855 -0.326 1.00 52.31 N ATOM 153 CA SER A 9 3.814 -9.735 -1.202 1.00 4.13 C ATOM 154 C SER A 9 4.560 -10.812 -0.410 1.00 30.44 C ATOM 155 O SER A 9 4.801 -10.672 0.791 1.00 15.25 O ATOM 156 CB SER A 9 4.824 -8.930 -2.036 1.00 53.05 C ATOM 157 OG SER A 9 5.601 -9.783 -2.869 1.00 31.30 O ATOM 0 H SER A 9 3.312 -8.872 0.654 1.00 52.31 H new ATOM 0 HA SER A 9 3.103 -10.224 -1.868 1.00 4.13 H new ATOM 0 HB2 SER A 9 4.294 -8.202 -2.650 1.00 53.05 H new ATOM 0 HB3 SER A 9 5.482 -8.368 -1.372 1.00 53.05 H new ATOM 0 HG SER A 9 6.233 -9.245 -3.389 1.00 31.30 H new ATOM 163 N ASN A 10 4.923 -11.886 -1.103 1.00 62.43 N ATOM 164 CA ASN A 10 5.730 -12.964 -0.524 1.00 64.32 C ATOM 165 C ASN A 10 7.164 -12.916 -1.072 1.00 52.15 C ATOM 166 O ASN A 10 8.026 -13.698 -0.668 1.00 41.15 O ATOM 167 CB ASN A 10 5.095 -14.320 -0.843 1.00 51.35 C ATOM 168 CG ASN A 10 3.681 -14.434 -0.309 1.00 22.25 C ATOM 169 OD1 ASN A 10 3.457 -14.903 0.802 1.00 2.21 O ATOM 170 ND2 ASN A 10 2.715 -14.001 -1.089 1.00 45.51 N ATOM 0 H ASN A 10 4.669 -12.037 -2.079 1.00 62.43 H new ATOM 0 HA ASN A 10 5.766 -12.830 0.557 1.00 64.32 H new ATOM 0 HB2 ASN A 10 5.086 -14.469 -1.923 1.00 51.35 H new ATOM 0 HB3 ASN A 10 5.707 -15.115 -0.416 1.00 51.35 H new ATOM 0 HD21 ASN A 10 1.746 -14.050 -0.775 1.00 45.51 H new ATOM 0 HD22 ASN A 10 2.935 -13.616 -2.008 1.00 45.51 H new ATOM 177 N ASP A 11 7.406 -11.998 -2.007 1.00 21.44 N ATOM 178 CA ASP A 11 8.723 -11.842 -2.628 1.00 71.31 C ATOM 179 C ASP A 11 9.590 -10.860 -1.817 1.00 42.22 C ATOM 180 O ASP A 11 9.377 -9.645 -1.858 1.00 50.21 O ATOM 181 CB ASP A 11 8.555 -11.351 -4.074 1.00 14.43 C ATOM 182 CG ASP A 11 9.851 -11.394 -4.867 1.00 14.54 C ATOM 183 OD1 ASP A 11 10.723 -10.535 -4.636 1.00 44.13 O ATOM 184 OD2 ASP A 11 9.999 -12.280 -5.736 1.00 1.13 O ATOM 0 H ASP A 11 6.702 -11.346 -2.354 1.00 21.44 H new ATOM 0 HA ASP A 11 9.229 -12.807 -2.638 1.00 71.31 H new ATOM 0 HB2 ASP A 11 7.807 -11.965 -4.576 1.00 14.43 H new ATOM 0 HB3 ASP A 11 8.175 -10.330 -4.064 1.00 14.43 H new ATOM 189 N LYS A 12 10.565 -11.392 -1.075 1.00 64.21 N ATOM 190 CA LYS A 12 11.416 -10.572 -0.196 1.00 62.03 C ATOM 191 C LYS A 12 12.196 -9.487 -0.959 1.00 1.34 C ATOM 192 O LYS A 12 12.529 -8.446 -0.392 1.00 3.21 O ATOM 193 CB LYS A 12 12.387 -11.462 0.599 1.00 71.23 C ATOM 194 CG LYS A 12 11.723 -12.241 1.733 1.00 23.22 C ATOM 195 CD LYS A 12 11.070 -11.306 2.753 1.00 22.33 C ATOM 196 CE LYS A 12 10.501 -12.062 3.948 1.00 75.22 C ATOM 197 NZ LYS A 12 11.563 -12.748 4.731 1.00 73.43 N ATOM 0 H LYS A 12 10.788 -12.387 -1.063 1.00 64.21 H new ATOM 0 HA LYS A 12 10.746 -10.058 0.493 1.00 62.03 H new ATOM 0 HB2 LYS A 12 12.861 -12.167 -0.084 1.00 71.23 H new ATOM 0 HB3 LYS A 12 13.179 -10.839 1.014 1.00 71.23 H new ATOM 0 HG2 LYS A 12 10.970 -12.913 1.321 1.00 23.22 H new ATOM 0 HG3 LYS A 12 12.467 -12.862 2.232 1.00 23.22 H new ATOM 0 HD2 LYS A 12 11.806 -10.581 3.101 1.00 22.33 H new ATOM 0 HD3 LYS A 12 10.272 -10.743 2.268 1.00 22.33 H new ATOM 0 HE2 LYS A 12 9.965 -11.367 4.595 1.00 75.22 H new ATOM 0 HE3 LYS A 12 9.775 -12.797 3.600 1.00 75.22 H new ATOM 0 HZ1 LYS A 12 11.170 -13.076 5.636 1.00 73.43 H new ATOM 0 HZ2 LYS A 12 11.919 -13.563 4.193 1.00 73.43 H new ATOM 0 HZ3 LYS A 12 12.344 -12.085 4.912 1.00 73.43 H new ATOM 211 N LYS A 13 12.470 -9.717 -2.241 1.00 53.34 N ATOM 212 CA LYS A 13 13.198 -8.734 -3.053 1.00 52.33 C ATOM 213 C LYS A 13 12.299 -7.528 -3.345 1.00 15.24 C ATOM 214 O LYS A 13 12.716 -6.375 -3.220 1.00 24.53 O ATOM 215 CB LYS A 13 13.692 -9.356 -4.372 1.00 33.44 C ATOM 216 CG LYS A 13 14.729 -10.470 -4.203 1.00 63.30 C ATOM 217 CD LYS A 13 14.125 -11.754 -3.635 1.00 44.13 C ATOM 218 CE LYS A 13 15.183 -12.833 -3.438 1.00 21.43 C ATOM 219 NZ LYS A 13 16.235 -12.415 -2.471 1.00 21.53 N ATOM 0 H LYS A 13 12.204 -10.566 -2.740 1.00 53.34 H new ATOM 0 HA LYS A 13 14.070 -8.406 -2.487 1.00 52.33 H new ATOM 0 HB2 LYS A 13 12.834 -9.755 -4.914 1.00 33.44 H new ATOM 0 HB3 LYS A 13 14.122 -8.569 -4.991 1.00 33.44 H new ATOM 0 HG2 LYS A 13 15.187 -10.684 -5.169 1.00 63.30 H new ATOM 0 HG3 LYS A 13 15.524 -10.124 -3.543 1.00 63.30 H new ATOM 0 HD2 LYS A 13 13.642 -11.539 -2.682 1.00 44.13 H new ATOM 0 HD3 LYS A 13 13.351 -12.122 -4.309 1.00 44.13 H new ATOM 0 HE2 LYS A 13 14.707 -13.747 -3.082 1.00 21.43 H new ATOM 0 HE3 LYS A 13 15.645 -13.067 -4.397 1.00 21.43 H new ATOM 0 HZ1 LYS A 13 16.793 -13.245 -2.185 1.00 21.53 H new ATOM 0 HZ2 LYS A 13 16.860 -11.715 -2.919 1.00 21.53 H new ATOM 0 HZ3 LYS A 13 15.788 -11.993 -1.632 1.00 21.53 H new ATOM 233 N LEU A 14 11.058 -7.818 -3.720 1.00 33.40 N ATOM 234 CA LEU A 14 10.047 -6.788 -3.953 1.00 10.12 C ATOM 235 C LEU A 14 9.786 -5.995 -2.661 1.00 3.11 C ATOM 236 O LEU A 14 9.686 -4.766 -2.677 1.00 44.05 O ATOM 237 CB LEU A 14 8.757 -7.455 -4.475 1.00 44.11 C ATOM 238 CG LEU A 14 7.700 -6.526 -5.112 1.00 21.22 C ATOM 239 CD1 LEU A 14 6.748 -7.336 -5.989 1.00 30.15 C ATOM 240 CD2 LEU A 14 6.909 -5.761 -4.052 1.00 2.44 C ATOM 0 H LEU A 14 10.723 -8.770 -3.871 1.00 33.40 H new ATOM 0 HA LEU A 14 10.404 -6.083 -4.704 1.00 10.12 H new ATOM 0 HB2 LEU A 14 9.038 -8.206 -5.213 1.00 44.11 H new ATOM 0 HB3 LEU A 14 8.288 -7.984 -3.645 1.00 44.11 H new ATOM 0 HG LEU A 14 8.228 -5.797 -5.726 1.00 21.22 H new ATOM 0 HD11 LEU A 14 6.007 -6.671 -6.433 1.00 30.15 H new ATOM 0 HD12 LEU A 14 7.313 -7.829 -6.780 1.00 30.15 H new ATOM 0 HD13 LEU A 14 6.243 -8.087 -5.381 1.00 30.15 H new ATOM 0 HD21 LEU A 14 6.175 -5.118 -4.539 1.00 2.44 H new ATOM 0 HD22 LEU A 14 6.396 -6.468 -3.400 1.00 2.44 H new ATOM 0 HD23 LEU A 14 7.590 -5.150 -3.460 1.00 2.44 H new ATOM 252 N ILE A 15 9.695 -6.714 -1.537 1.00 1.04 N ATOM 253 CA ILE A 15 9.502 -6.091 -0.221 1.00 21.21 C ATOM 254 C ILE A 15 10.658 -5.136 0.125 1.00 41.12 C ATOM 255 O ILE A 15 10.432 -4.000 0.558 1.00 51.42 O ATOM 256 CB ILE A 15 9.364 -7.163 0.895 1.00 13.41 C ATOM 257 CG1 ILE A 15 8.145 -8.067 0.623 1.00 25.05 C ATOM 258 CG2 ILE A 15 9.254 -6.503 2.274 1.00 44.11 C ATOM 259 CD1 ILE A 15 7.971 -9.183 1.631 1.00 73.32 C ATOM 0 H ILE A 15 9.752 -7.732 -1.512 1.00 1.04 H new ATOM 0 HA ILE A 15 8.578 -5.516 -0.276 1.00 21.21 H new ATOM 0 HB ILE A 15 10.261 -7.782 0.889 1.00 13.41 H new ATOM 0 HG12 ILE A 15 7.244 -7.453 0.616 1.00 25.05 H new ATOM 0 HG13 ILE A 15 8.242 -8.501 -0.372 1.00 25.05 H new ATOM 0 HG21 ILE A 15 9.158 -7.273 3.039 1.00 44.11 H new ATOM 0 HG22 ILE A 15 10.148 -5.910 2.466 1.00 44.11 H new ATOM 0 HG23 ILE A 15 8.377 -5.856 2.299 1.00 44.11 H new ATOM 0 HD11 ILE A 15 7.093 -9.774 1.371 1.00 73.32 H new ATOM 0 HD12 ILE A 15 8.854 -9.822 1.622 1.00 73.32 H new ATOM 0 HD13 ILE A 15 7.841 -8.758 2.626 1.00 73.32 H new ATOM 271 N GLU A 16 11.896 -5.590 -0.073 1.00 23.34 N ATOM 272 CA GLU A 16 13.067 -4.752 0.198 1.00 15.24 C ATOM 273 C GLU A 16 13.091 -3.511 -0.710 1.00 3.34 C ATOM 274 O GLU A 16 13.180 -2.385 -0.226 1.00 5.15 O ATOM 275 CB GLU A 16 14.368 -5.551 0.028 1.00 22.04 C ATOM 276 CG GLU A 16 14.608 -6.591 1.120 1.00 31.45 C ATOM 277 CD GLU A 16 15.978 -7.243 1.016 1.00 44.31 C ATOM 278 OE1 GLU A 16 16.986 -6.554 1.278 1.00 41.34 O ATOM 279 OE2 GLU A 16 16.061 -8.437 0.657 1.00 11.33 O ATOM 0 H GLU A 16 12.114 -6.525 -0.417 1.00 23.34 H new ATOM 0 HA GLU A 16 12.993 -4.419 1.233 1.00 15.24 H new ATOM 0 HB2 GLU A 16 14.350 -6.053 -0.939 1.00 22.04 H new ATOM 0 HB3 GLU A 16 15.208 -4.857 0.011 1.00 22.04 H new ATOM 0 HG2 GLU A 16 14.509 -6.117 2.096 1.00 31.45 H new ATOM 0 HG3 GLU A 16 13.838 -7.360 1.059 1.00 31.45 H new ATOM 286 N GLU A 17 12.989 -3.722 -2.022 1.00 40.52 N ATOM 287 CA GLU A 17 13.047 -2.621 -2.995 1.00 73.10 C ATOM 288 C GLU A 17 11.967 -1.558 -2.743 1.00 10.42 C ATOM 289 O GLU A 17 12.183 -0.368 -3.000 1.00 32.01 O ATOM 290 CB GLU A 17 12.942 -3.167 -4.426 1.00 4.20 C ATOM 291 CG GLU A 17 14.204 -3.889 -4.886 1.00 34.51 C ATOM 292 CD GLU A 17 15.436 -2.999 -4.799 1.00 13.24 C ATOM 293 OE1 GLU A 17 15.623 -2.148 -5.694 1.00 51.24 O ATOM 294 OE2 GLU A 17 16.211 -3.127 -3.828 1.00 11.43 O ATOM 0 H GLU A 17 12.866 -4.644 -2.440 1.00 40.52 H new ATOM 0 HA GLU A 17 14.012 -2.130 -2.868 1.00 73.10 H new ATOM 0 HB2 GLU A 17 12.097 -3.852 -4.486 1.00 4.20 H new ATOM 0 HB3 GLU A 17 12.733 -2.343 -5.108 1.00 4.20 H new ATOM 0 HG2 GLU A 17 14.356 -4.778 -4.274 1.00 34.51 H new ATOM 0 HG3 GLU A 17 14.073 -4.227 -5.914 1.00 34.51 H new ATOM 301 N ALA A 18 10.808 -1.987 -2.248 1.00 22.40 N ATOM 302 CA ALA A 18 9.756 -1.054 -1.838 1.00 24.43 C ATOM 303 C ALA A 18 10.234 -0.172 -0.671 1.00 44.32 C ATOM 304 O ALA A 18 10.019 1.043 -0.665 1.00 30.13 O ATOM 305 CB ALA A 18 8.492 -1.818 -1.453 1.00 22.13 C ATOM 0 H ALA A 18 10.572 -2.971 -2.121 1.00 22.40 H new ATOM 0 HA ALA A 18 9.524 -0.403 -2.681 1.00 24.43 H new ATOM 0 HB1 ALA A 18 7.718 -1.112 -1.150 1.00 22.13 H new ATOM 0 HB2 ALA A 18 8.142 -2.396 -2.308 1.00 22.13 H new ATOM 0 HB3 ALA A 18 8.712 -2.492 -0.625 1.00 22.13 H new ATOM 311 N ARG A 19 10.899 -0.796 0.305 1.00 22.31 N ATOM 312 CA ARG A 19 11.470 -0.077 1.453 1.00 21.14 C ATOM 313 C ARG A 19 12.453 1.024 1.014 1.00 54.23 C ATOM 314 O ARG A 19 12.411 2.140 1.530 1.00 42.11 O ATOM 315 CB ARG A 19 12.176 -1.063 2.397 1.00 41.24 C ATOM 316 CG ARG A 19 11.222 -1.902 3.240 1.00 4.21 C ATOM 317 CD ARG A 19 11.947 -3.037 3.963 1.00 22.04 C ATOM 318 NE ARG A 19 13.259 -2.636 4.473 1.00 33.54 N ATOM 319 CZ ARG A 19 13.471 -2.071 5.633 1.00 3.12 C ATOM 320 NH1 ARG A 19 12.487 -1.703 6.391 1.00 43.21 N ATOM 321 NH2 ARG A 19 14.683 -1.843 6.021 1.00 5.12 N ATOM 0 H ARG A 19 11.057 -1.803 0.325 1.00 22.31 H new ATOM 0 HA ARG A 19 10.646 0.406 1.978 1.00 21.14 H new ATOM 0 HB2 ARG A 19 12.805 -1.729 1.806 1.00 41.24 H new ATOM 0 HB3 ARG A 19 12.837 -0.505 3.061 1.00 41.24 H new ATOM 0 HG2 ARG A 19 10.727 -1.263 3.972 1.00 4.21 H new ATOM 0 HG3 ARG A 19 10.443 -2.318 2.601 1.00 4.21 H new ATOM 0 HD2 ARG A 19 11.331 -3.386 4.792 1.00 22.04 H new ATOM 0 HD3 ARG A 19 12.069 -3.878 3.280 1.00 22.04 H new ATOM 0 HE ARG A 19 14.069 -2.810 3.879 1.00 33.54 H new ATOM 0 HH11 ARG A 19 11.525 -1.852 6.086 1.00 43.21 H new ATOM 0 HH12 ARG A 19 12.674 -1.264 7.292 1.00 43.21 H new ATOM 0 HH21 ARG A 19 15.467 -2.104 5.423 1.00 5.12 H new ATOM 0 HH22 ARG A 19 14.855 -1.403 6.925 1.00 5.12 H new ATOM 335 N LYS A 20 13.334 0.705 0.062 1.00 10.03 N ATOM 336 CA LYS A 20 14.310 1.688 -0.450 1.00 61.10 C ATOM 337 C LYS A 20 13.608 2.966 -0.939 1.00 21.54 C ATOM 338 O LYS A 20 13.964 4.077 -0.542 1.00 71.11 O ATOM 339 CB LYS A 20 15.156 1.090 -1.590 1.00 24.32 C ATOM 340 CG LYS A 20 16.273 0.143 -1.137 1.00 10.04 C ATOM 341 CD LYS A 20 15.736 -1.088 -0.419 1.00 42.43 C ATOM 342 CE LYS A 20 16.815 -2.138 -0.181 1.00 31.24 C ATOM 343 NZ LYS A 20 17.406 -2.625 -1.458 1.00 40.00 N ATOM 0 H LYS A 20 13.397 -0.216 -0.371 1.00 10.03 H new ATOM 0 HA LYS A 20 14.971 1.947 0.377 1.00 61.10 H new ATOM 0 HB2 LYS A 20 14.495 0.551 -2.269 1.00 24.32 H new ATOM 0 HB3 LYS A 20 15.600 1.906 -2.160 1.00 24.32 H new ATOM 0 HG2 LYS A 20 16.854 -0.170 -2.005 1.00 10.04 H new ATOM 0 HG3 LYS A 20 16.953 0.679 -0.475 1.00 10.04 H new ATOM 0 HD2 LYS A 20 15.306 -0.789 0.537 1.00 42.43 H new ATOM 0 HD3 LYS A 20 14.930 -1.526 -1.008 1.00 42.43 H new ATOM 0 HE2 LYS A 20 17.601 -1.716 0.445 1.00 31.24 H new ATOM 0 HE3 LYS A 20 16.389 -2.979 0.366 1.00 31.24 H new ATOM 0 HZ1 LYS A 20 17.868 -3.543 -1.299 1.00 40.00 H new ATOM 0 HZ2 LYS A 20 16.655 -2.734 -2.169 1.00 40.00 H new ATOM 0 HZ3 LYS A 20 18.109 -1.939 -1.799 1.00 40.00 H new ATOM 357 N MET A 21 12.597 2.798 -1.787 1.00 51.22 N ATOM 358 CA MET A 21 11.822 3.935 -2.294 1.00 21.31 C ATOM 359 C MET A 21 11.087 4.667 -1.165 1.00 14.22 C ATOM 360 O MET A 21 11.015 5.897 -1.160 1.00 54.22 O ATOM 361 CB MET A 21 10.818 3.472 -3.356 1.00 70.45 C ATOM 362 CG MET A 21 11.452 3.159 -4.700 1.00 64.03 C ATOM 363 SD MET A 21 12.246 4.605 -5.437 1.00 3.33 S ATOM 364 CE MET A 21 10.870 5.753 -5.495 1.00 1.22 C ATOM 0 H MET A 21 12.293 1.890 -2.139 1.00 51.22 H new ATOM 0 HA MET A 21 12.527 4.633 -2.747 1.00 21.31 H new ATOM 0 HB2 MET A 21 10.301 2.584 -2.992 1.00 70.45 H new ATOM 0 HB3 MET A 21 10.063 4.246 -3.492 1.00 70.45 H new ATOM 0 HG2 MET A 21 12.190 2.366 -4.575 1.00 64.03 H new ATOM 0 HG3 MET A 21 10.689 2.780 -5.380 1.00 64.03 H new ATOM 0 HE1 MET A 21 11.096 6.556 -6.196 1.00 1.22 H new ATOM 0 HE2 MET A 21 9.972 5.228 -5.821 1.00 1.22 H new ATOM 0 HE3 MET A 21 10.705 6.173 -4.503 1.00 1.22 H new ATOM 374 N ALA A 22 10.547 3.908 -0.214 1.00 51.12 N ATOM 375 CA ALA A 22 9.871 4.495 0.949 1.00 23.21 C ATOM 376 C ALA A 22 10.825 5.389 1.758 1.00 32.54 C ATOM 377 O ALA A 22 10.412 6.395 2.333 1.00 63.42 O ATOM 378 CB ALA A 22 9.291 3.395 1.834 1.00 45.34 C ATOM 0 H ALA A 22 10.562 2.888 -0.222 1.00 51.12 H new ATOM 0 HA ALA A 22 9.057 5.121 0.585 1.00 23.21 H new ATOM 0 HB1 ALA A 22 8.792 3.844 2.693 1.00 45.34 H new ATOM 0 HB2 ALA A 22 8.571 2.809 1.262 1.00 45.34 H new ATOM 0 HB3 ALA A 22 10.095 2.745 2.180 1.00 45.34 H new ATOM 384 N GLU A 23 12.102 5.013 1.792 1.00 10.35 N ATOM 385 CA GLU A 23 13.132 5.820 2.457 1.00 4.22 C ATOM 386 C GLU A 23 13.486 7.059 1.625 1.00 72.24 C ATOM 387 O GLU A 23 13.607 8.159 2.161 1.00 24.04 O ATOM 388 CB GLU A 23 14.391 4.981 2.707 1.00 53.30 C ATOM 389 CG GLU A 23 14.153 3.750 3.575 1.00 52.14 C ATOM 390 CD GLU A 23 13.630 4.090 4.963 1.00 32.43 C ATOM 391 OE1 GLU A 23 14.452 4.305 5.876 1.00 2.14 O ATOM 392 OE2 GLU A 23 12.395 4.132 5.151 1.00 62.43 O ATOM 0 H GLU A 23 12.452 4.154 1.367 1.00 10.35 H new ATOM 0 HA GLU A 23 12.730 6.152 3.414 1.00 4.22 H new ATOM 0 HB2 GLU A 23 14.800 4.663 1.748 1.00 53.30 H new ATOM 0 HB3 GLU A 23 15.145 5.608 3.183 1.00 53.30 H new ATOM 0 HG2 GLU A 23 13.441 3.093 3.076 1.00 52.14 H new ATOM 0 HG3 GLU A 23 15.086 3.195 3.671 1.00 52.14 H new ATOM 399 N LYS A 24 13.639 6.879 0.311 1.00 4.51 N ATOM 400 CA LYS A 24 13.953 8.000 -0.592 1.00 63.04 C ATOM 401 C LYS A 24 12.820 9.038 -0.601 1.00 3.34 C ATOM 402 O LYS A 24 13.053 10.228 -0.823 1.00 63.44 O ATOM 403 CB LYS A 24 14.212 7.502 -2.027 1.00 10.14 C ATOM 404 CG LYS A 24 15.301 6.435 -2.138 1.00 3.32 C ATOM 405 CD LYS A 24 16.598 6.844 -1.440 1.00 52.01 C ATOM 406 CE LYS A 24 17.219 8.099 -2.047 1.00 50.04 C ATOM 407 NZ LYS A 24 18.452 8.516 -1.327 1.00 34.11 N ATOM 0 H LYS A 24 13.552 5.975 -0.154 1.00 4.51 H new ATOM 0 HA LYS A 24 14.860 8.474 -0.216 1.00 63.04 H new ATOM 0 HB2 LYS A 24 13.283 7.100 -2.432 1.00 10.14 H new ATOM 0 HB3 LYS A 24 14.489 8.353 -2.649 1.00 10.14 H new ATOM 0 HG2 LYS A 24 14.937 5.504 -1.704 1.00 3.32 H new ATOM 0 HG3 LYS A 24 15.506 6.238 -3.190 1.00 3.32 H new ATOM 0 HD2 LYS A 24 16.399 7.017 -0.382 1.00 52.01 H new ATOM 0 HD3 LYS A 24 17.313 6.024 -1.500 1.00 52.01 H new ATOM 0 HE2 LYS A 24 17.456 7.915 -3.095 1.00 50.04 H new ATOM 0 HE3 LYS A 24 16.493 8.911 -2.022 1.00 50.04 H new ATOM 0 HZ1 LYS A 24 18.841 9.372 -1.772 1.00 34.11 H new ATOM 0 HZ2 LYS A 24 18.222 8.716 -0.333 1.00 34.11 H new ATOM 0 HZ3 LYS A 24 19.156 7.752 -1.372 1.00 34.11 H new ATOM 421 N ALA A 25 11.593 8.570 -0.380 1.00 13.23 N ATOM 422 CA ALA A 25 10.425 9.454 -0.267 1.00 31.24 C ATOM 423 C ALA A 25 10.136 9.814 1.201 1.00 34.04 C ATOM 424 O ALA A 25 9.318 10.690 1.491 1.00 52.22 O ATOM 425 CB ALA A 25 9.208 8.786 -0.897 1.00 54.13 C ATOM 0 H ALA A 25 11.377 7.579 -0.275 1.00 13.23 H new ATOM 0 HA ALA A 25 10.644 10.379 -0.800 1.00 31.24 H new ATOM 0 HB1 ALA A 25 8.345 9.446 -0.810 1.00 54.13 H new ATOM 0 HB2 ALA A 25 9.407 8.586 -1.950 1.00 54.13 H new ATOM 0 HB3 ALA A 25 9.001 7.848 -0.382 1.00 54.13 H new ATOM 431 N ASN A 26 10.817 9.117 2.117 1.00 31.35 N ATOM 432 CA ASN A 26 10.668 9.327 3.565 1.00 12.41 C ATOM 433 C ASN A 26 9.244 8.994 4.057 1.00 1.33 C ATOM 434 O ASN A 26 8.834 9.415 5.141 1.00 34.13 O ATOM 435 CB ASN A 26 11.050 10.766 3.941 1.00 34.35 C ATOM 436 CG ASN A 26 12.451 11.121 3.477 1.00 1.22 C ATOM 437 OD1 ASN A 26 12.643 11.681 2.402 1.00 65.53 O ATOM 438 ND2 ASN A 26 13.441 10.797 4.277 1.00 41.31 N ATOM 0 H ASN A 26 11.489 8.389 1.876 1.00 31.35 H new ATOM 0 HA ASN A 26 11.349 8.639 4.066 1.00 12.41 H new ATOM 0 HB2 ASN A 26 10.335 11.459 3.498 1.00 34.35 H new ATOM 0 HB3 ASN A 26 10.984 10.888 5.022 1.00 34.35 H new ATOM 0 HD21 ASN A 26 14.402 11.010 4.011 1.00 41.31 H new ATOM 0 HD22 ASN A 26 13.248 10.332 5.164 1.00 41.31 H new ATOM 445 N LEU A 27 8.514 8.199 3.271 1.00 14.11 N ATOM 446 CA LEU A 27 7.137 7.816 3.610 1.00 52.22 C ATOM 447 C LEU A 27 7.101 6.557 4.492 1.00 41.12 C ATOM 448 O LEU A 27 8.027 5.740 4.476 1.00 43.41 O ATOM 449 CB LEU A 27 6.319 7.578 2.332 1.00 21.01 C ATOM 450 CG LEU A 27 6.196 8.791 1.392 1.00 12.54 C ATOM 451 CD1 LEU A 27 5.343 8.452 0.171 1.00 71.23 C ATOM 452 CD2 LEU A 27 5.626 10.002 2.130 1.00 30.01 C ATOM 0 H LEU A 27 8.853 7.806 2.393 1.00 14.11 H new ATOM 0 HA LEU A 27 6.697 8.638 4.174 1.00 52.22 H new ATOM 0 HB2 LEU A 27 6.772 6.755 1.779 1.00 21.01 H new ATOM 0 HB3 LEU A 27 5.317 7.257 2.617 1.00 21.01 H new ATOM 0 HG LEU A 27 7.197 9.047 1.046 1.00 12.54 H new ATOM 0 HD11 LEU A 27 5.272 9.326 -0.477 1.00 71.23 H new ATOM 0 HD12 LEU A 27 5.803 7.630 -0.377 1.00 71.23 H new ATOM 0 HD13 LEU A 27 4.345 8.158 0.495 1.00 71.23 H new ATOM 0 HD21 LEU A 27 5.550 10.844 1.442 1.00 30.01 H new ATOM 0 HD22 LEU A 27 4.637 9.759 2.518 1.00 30.01 H new ATOM 0 HD23 LEU A 27 6.285 10.267 2.957 1.00 30.01 H new ATOM 464 N GLU A 28 6.020 6.405 5.254 1.00 53.03 N ATOM 465 CA GLU A 28 5.857 5.263 6.162 1.00 13.23 C ATOM 466 C GLU A 28 5.282 4.037 5.432 1.00 55.31 C ATOM 467 O GLU A 28 4.144 4.059 4.956 1.00 13.02 O ATOM 468 CB GLU A 28 4.949 5.657 7.335 1.00 44.32 C ATOM 469 CG GLU A 28 5.481 6.835 8.148 1.00 52.25 C ATOM 470 CD GLU A 28 4.581 7.207 9.318 1.00 10.23 C ATOM 471 OE1 GLU A 28 4.543 6.447 10.308 1.00 75.33 O ATOM 472 OE2 GLU A 28 3.924 8.271 9.264 1.00 34.14 O ATOM 0 H GLU A 28 5.238 7.060 5.263 1.00 53.03 H new ATOM 0 HA GLU A 28 6.842 4.989 6.541 1.00 13.23 H new ATOM 0 HB2 GLU A 28 3.960 5.908 6.951 1.00 44.32 H new ATOM 0 HB3 GLU A 28 4.826 4.797 7.994 1.00 44.32 H new ATOM 0 HG2 GLU A 28 6.474 6.590 8.525 1.00 52.25 H new ATOM 0 HG3 GLU A 28 5.593 7.700 7.494 1.00 52.25 H new ATOM 479 N LEU A 29 6.076 2.968 5.353 1.00 2.54 N ATOM 480 CA LEU A 29 5.681 1.737 4.652 1.00 12.33 C ATOM 481 C LEU A 29 5.478 0.571 5.637 1.00 61.20 C ATOM 482 O LEU A 29 6.351 0.275 6.454 1.00 32.54 O ATOM 483 CB LEU A 29 6.748 1.388 3.592 1.00 1.42 C ATOM 484 CG LEU A 29 6.485 0.127 2.734 1.00 34.21 C ATOM 485 CD1 LEU A 29 7.165 0.252 1.375 1.00 72.31 C ATOM 486 CD2 LEU A 29 6.977 -1.139 3.440 1.00 51.51 C ATOM 0 H LEU A 29 7.006 2.927 5.769 1.00 2.54 H new ATOM 0 HA LEU A 29 4.725 1.906 4.156 1.00 12.33 H new ATOM 0 HB2 LEU A 29 6.854 2.241 2.921 1.00 1.42 H new ATOM 0 HB3 LEU A 29 7.704 1.261 4.100 1.00 1.42 H new ATOM 0 HG LEU A 29 5.407 0.047 2.591 1.00 34.21 H new ATOM 0 HD11 LEU A 29 6.969 -0.644 0.786 1.00 72.31 H new ATOM 0 HD12 LEU A 29 6.773 1.124 0.851 1.00 72.31 H new ATOM 0 HD13 LEU A 29 8.240 0.366 1.515 1.00 72.31 H new ATOM 0 HD21 LEU A 29 6.778 -2.007 2.811 1.00 51.51 H new ATOM 0 HD22 LEU A 29 8.049 -1.061 3.622 1.00 51.51 H new ATOM 0 HD23 LEU A 29 6.455 -1.252 4.390 1.00 51.51 H new ATOM 498 N ARG A 30 4.324 -0.088 5.551 1.00 31.14 N ATOM 499 CA ARG A 30 4.012 -1.246 6.401 1.00 74.51 C ATOM 500 C ARG A 30 3.699 -2.492 5.553 1.00 13.34 C ATOM 501 O ARG A 30 3.207 -2.381 4.430 1.00 45.32 O ATOM 502 CB ARG A 30 2.821 -0.927 7.315 1.00 45.13 C ATOM 503 CG ARG A 30 3.086 0.153 8.370 1.00 24.21 C ATOM 504 CD ARG A 30 4.092 -0.303 9.428 1.00 1.22 C ATOM 505 NE ARG A 30 5.465 -0.311 8.923 1.00 4.43 N ATOM 506 CZ ARG A 30 6.400 -1.136 9.311 1.00 24.35 C ATOM 507 NH1 ARG A 30 6.151 -2.075 10.167 1.00 52.03 N ATOM 508 NH2 ARG A 30 7.588 -1.025 8.821 1.00 35.22 N ATOM 0 H ARG A 30 3.581 0.159 4.897 1.00 31.14 H new ATOM 0 HA ARG A 30 4.890 -1.459 7.011 1.00 74.51 H new ATOM 0 HB2 ARG A 30 1.981 -0.611 6.696 1.00 45.13 H new ATOM 0 HB3 ARG A 30 2.516 -1.842 7.822 1.00 45.13 H new ATOM 0 HG2 ARG A 30 3.460 1.052 7.880 1.00 24.21 H new ATOM 0 HG3 ARG A 30 2.148 0.421 8.856 1.00 24.21 H new ATOM 0 HD2 ARG A 30 4.030 0.357 10.293 1.00 1.22 H new ATOM 0 HD3 ARG A 30 3.827 -1.304 9.770 1.00 1.22 H new ATOM 0 HE ARG A 30 5.711 0.380 8.214 1.00 4.43 H new ATOM 0 HH11 ARG A 30 5.212 -2.180 10.550 1.00 52.03 H new ATOM 0 HH12 ARG A 30 6.894 -2.710 10.458 1.00 52.03 H new ATOM 0 HH21 ARG A 30 7.791 -0.297 8.136 1.00 35.22 H new ATOM 0 HH22 ARG A 30 8.324 -1.665 9.119 1.00 35.22 H new ATOM 522 N THR A 31 3.973 -3.674 6.104 1.00 12.43 N ATOM 523 CA THR A 31 3.755 -4.945 5.389 1.00 40.21 C ATOM 524 C THR A 31 2.437 -5.620 5.803 1.00 75.40 C ATOM 525 O THR A 31 2.083 -5.652 6.985 1.00 5.22 O ATOM 526 CB THR A 31 4.915 -5.935 5.648 1.00 22.04 C ATOM 527 OG1 THR A 31 5.050 -6.176 7.056 1.00 31.53 O ATOM 528 CG2 THR A 31 6.231 -5.399 5.095 1.00 13.33 C ATOM 0 H THR A 31 4.348 -3.785 7.046 1.00 12.43 H new ATOM 0 HA THR A 31 3.708 -4.695 4.329 1.00 40.21 H new ATOM 0 HB THR A 31 4.680 -6.868 5.137 1.00 22.04 H new ATOM 0 HG1 THR A 31 5.785 -6.805 7.211 1.00 31.53 H new ATOM 0 HG21 THR A 31 7.028 -6.116 5.292 1.00 13.33 H new ATOM 0 HG22 THR A 31 6.138 -5.246 4.020 1.00 13.33 H new ATOM 0 HG23 THR A 31 6.469 -4.451 5.577 1.00 13.33 H new ATOM 536 N VAL A 32 1.722 -6.169 4.819 1.00 34.03 N ATOM 537 CA VAL A 32 0.445 -6.858 5.054 1.00 2.11 C ATOM 538 C VAL A 32 0.417 -8.235 4.363 1.00 5.42 C ATOM 539 O VAL A 32 0.963 -8.403 3.273 1.00 25.04 O ATOM 540 CB VAL A 32 -0.750 -6.019 4.529 1.00 73.32 C ATOM 541 CG1 VAL A 32 -2.064 -6.779 4.689 1.00 43.54 C ATOM 542 CG2 VAL A 32 -0.823 -4.668 5.234 1.00 63.52 C ATOM 0 H VAL A 32 2.007 -6.151 3.840 1.00 34.03 H new ATOM 0 HA VAL A 32 0.353 -6.990 6.132 1.00 2.11 H new ATOM 0 HB VAL A 32 -0.587 -5.839 3.466 1.00 73.32 H new ATOM 0 HG11 VAL A 32 -2.885 -6.169 4.313 1.00 43.54 H new ATOM 0 HG12 VAL A 32 -2.017 -7.710 4.125 1.00 43.54 H new ATOM 0 HG13 VAL A 32 -2.230 -7.001 5.743 1.00 43.54 H new ATOM 0 HG21 VAL A 32 -1.669 -4.101 4.847 1.00 63.52 H new ATOM 0 HG22 VAL A 32 -0.950 -4.823 6.305 1.00 63.52 H new ATOM 0 HG23 VAL A 32 0.098 -4.114 5.054 1.00 63.52 H new ATOM 552 N LYS A 33 -0.218 -9.220 5.003 1.00 75.21 N ATOM 553 CA LYS A 33 -0.382 -10.551 4.402 1.00 33.42 C ATOM 554 C LYS A 33 -1.868 -10.940 4.277 1.00 42.34 C ATOM 555 O LYS A 33 -2.376 -11.140 3.169 1.00 23.41 O ATOM 556 CB LYS A 33 0.370 -11.610 5.225 1.00 62.51 C ATOM 557 CG LYS A 33 1.881 -11.394 5.280 1.00 4.21 C ATOM 558 CD LYS A 33 2.577 -12.487 6.084 1.00 2.50 C ATOM 559 CE LYS A 33 4.090 -12.306 6.092 1.00 64.41 C ATOM 560 NZ LYS A 33 4.666 -12.339 4.720 1.00 72.43 N ATOM 0 H LYS A 33 -0.626 -9.125 5.933 1.00 75.21 H new ATOM 0 HA LYS A 33 0.041 -10.510 3.398 1.00 33.42 H new ATOM 0 HB2 LYS A 33 -0.024 -11.613 6.241 1.00 62.51 H new ATOM 0 HB3 LYS A 33 0.169 -12.594 4.802 1.00 62.51 H new ATOM 0 HG2 LYS A 33 2.283 -11.375 4.267 1.00 4.21 H new ATOM 0 HG3 LYS A 33 2.094 -10.422 5.726 1.00 4.21 H new ATOM 0 HD2 LYS A 33 2.204 -12.478 7.108 1.00 2.50 H new ATOM 0 HD3 LYS A 33 2.330 -13.462 5.663 1.00 2.50 H new ATOM 0 HE2 LYS A 33 4.338 -11.356 6.566 1.00 64.41 H new ATOM 0 HE3 LYS A 33 4.545 -13.092 6.695 1.00 64.41 H new ATOM 0 HZ1 LYS A 33 5.696 -12.468 4.779 1.00 72.43 H new ATOM 0 HZ2 LYS A 33 4.248 -13.128 4.187 1.00 72.43 H new ATOM 0 HZ3 LYS A 33 4.457 -11.444 4.234 1.00 72.43 H new ATOM 574 N THR A 34 -2.561 -11.041 5.411 1.00 32.04 N ATOM 575 CA THR A 34 -3.970 -11.489 5.430 1.00 52.10 C ATOM 576 C THR A 34 -4.972 -10.325 5.342 1.00 73.33 C ATOM 577 O THR A 34 -4.602 -9.149 5.418 1.00 3.40 O ATOM 578 CB THR A 34 -4.293 -12.292 6.710 1.00 44.40 C ATOM 579 OG1 THR A 34 -4.197 -11.439 7.861 1.00 1.14 O ATOM 580 CG2 THR A 34 -3.347 -13.479 6.871 1.00 72.44 C ATOM 0 H THR A 34 -2.179 -10.821 6.331 1.00 32.04 H new ATOM 0 HA THR A 34 -4.078 -12.118 4.546 1.00 52.10 H new ATOM 0 HB THR A 34 -5.310 -12.674 6.621 1.00 44.40 H new ATOM 0 HG1 THR A 34 -3.639 -11.870 8.542 1.00 1.14 H new ATOM 0 HG21 THR A 34 -3.599 -14.024 7.780 1.00 72.44 H new ATOM 0 HG22 THR A 34 -3.445 -14.142 6.011 1.00 72.44 H new ATOM 0 HG23 THR A 34 -2.320 -13.120 6.937 1.00 72.44 H new ATOM 588 N GLU A 35 -6.252 -10.674 5.186 1.00 31.43 N ATOM 589 CA GLU A 35 -7.343 -9.691 5.119 1.00 3.21 C ATOM 590 C GLU A 35 -7.423 -8.846 6.400 1.00 3.31 C ATOM 591 O GLU A 35 -7.450 -7.613 6.348 1.00 73.04 O ATOM 592 CB GLU A 35 -8.681 -10.416 4.910 1.00 65.41 C ATOM 593 CG GLU A 35 -9.885 -9.484 4.787 1.00 41.14 C ATOM 594 CD GLU A 35 -11.214 -10.224 4.827 1.00 11.44 C ATOM 595 OE1 GLU A 35 -11.527 -10.954 3.866 1.00 0.41 O ATOM 596 OE2 GLU A 35 -11.957 -10.078 5.825 1.00 22.04 O ATOM 0 H GLU A 35 -6.563 -11.642 5.103 1.00 31.43 H new ATOM 0 HA GLU A 35 -7.139 -9.025 4.281 1.00 3.21 H new ATOM 0 HB2 GLU A 35 -8.614 -11.026 4.009 1.00 65.41 H new ATOM 0 HB3 GLU A 35 -8.847 -11.097 5.745 1.00 65.41 H new ATOM 0 HG2 GLU A 35 -9.857 -8.754 5.596 1.00 41.14 H new ATOM 0 HG3 GLU A 35 -9.813 -8.927 3.853 1.00 41.14 H new ATOM 603 N ASP A 36 -7.459 -9.522 7.548 1.00 52.41 N ATOM 604 CA ASP A 36 -7.584 -8.850 8.844 1.00 12.12 C ATOM 605 C ASP A 36 -6.449 -7.837 9.065 1.00 3.23 C ATOM 606 O ASP A 36 -6.674 -6.754 9.603 1.00 74.22 O ATOM 607 CB ASP A 36 -7.606 -9.886 9.974 1.00 5.32 C ATOM 608 CG ASP A 36 -7.813 -9.253 11.340 1.00 22.41 C ATOM 609 OD1 ASP A 36 -8.937 -8.775 11.616 1.00 61.42 O ATOM 610 OD2 ASP A 36 -6.855 -9.222 12.140 1.00 23.12 O ATOM 0 H ASP A 36 -7.403 -10.539 7.608 1.00 52.41 H new ATOM 0 HA ASP A 36 -8.524 -8.298 8.848 1.00 12.12 H new ATOM 0 HB2 ASP A 36 -8.402 -10.606 9.787 1.00 5.32 H new ATOM 0 HB3 ASP A 36 -6.668 -10.440 9.973 1.00 5.32 H new ATOM 615 N GLU A 37 -5.236 -8.196 8.638 1.00 74.13 N ATOM 616 CA GLU A 37 -4.082 -7.291 8.729 1.00 4.34 C ATOM 617 C GLU A 37 -4.311 -6.006 7.920 1.00 15.13 C ATOM 618 O GLU A 37 -4.152 -4.901 8.439 1.00 5.22 O ATOM 619 CB GLU A 37 -2.808 -7.989 8.238 1.00 1.13 C ATOM 620 CG GLU A 37 -2.360 -9.146 9.121 1.00 11.53 C ATOM 621 CD GLU A 37 -1.110 -9.827 8.589 1.00 50.10 C ATOM 622 OE1 GLU A 37 -0.009 -9.248 8.726 1.00 2.50 O ATOM 623 OE2 GLU A 37 -1.226 -10.928 8.012 1.00 23.41 O ATOM 0 H GLU A 37 -5.025 -9.105 8.226 1.00 74.13 H new ATOM 0 HA GLU A 37 -3.962 -7.021 9.778 1.00 4.34 H new ATOM 0 HB2 GLU A 37 -2.975 -8.360 7.227 1.00 1.13 H new ATOM 0 HB3 GLU A 37 -2.003 -7.256 8.180 1.00 1.13 H new ATOM 0 HG2 GLU A 37 -2.169 -8.778 10.129 1.00 11.53 H new ATOM 0 HG3 GLU A 37 -3.165 -9.877 9.195 1.00 11.53 H new ATOM 630 N LEU A 38 -4.691 -6.162 6.651 1.00 55.42 N ATOM 631 CA LEU A 38 -4.966 -5.021 5.765 1.00 60.13 C ATOM 632 C LEU A 38 -5.970 -4.057 6.420 1.00 45.24 C ATOM 633 O LEU A 38 -5.712 -2.855 6.535 1.00 11.33 O ATOM 634 CB LEU A 38 -5.491 -5.543 4.406 1.00 25.13 C ATOM 635 CG LEU A 38 -5.440 -4.561 3.210 1.00 55.33 C ATOM 636 CD1 LEU A 38 -6.493 -3.464 3.333 1.00 3.40 C ATOM 637 CD2 LEU A 38 -4.045 -3.950 3.070 1.00 42.21 C ATOM 0 H LEU A 38 -4.817 -7.072 6.208 1.00 55.42 H new ATOM 0 HA LEU A 38 -4.045 -4.464 5.593 1.00 60.13 H new ATOM 0 HB2 LEU A 38 -4.918 -6.431 4.140 1.00 25.13 H new ATOM 0 HB3 LEU A 38 -6.525 -5.859 4.541 1.00 25.13 H new ATOM 0 HG LEU A 38 -5.663 -5.134 2.310 1.00 55.33 H new ATOM 0 HD11 LEU A 38 -6.424 -2.796 2.475 1.00 3.40 H new ATOM 0 HD12 LEU A 38 -7.485 -3.914 3.364 1.00 3.40 H new ATOM 0 HD13 LEU A 38 -6.323 -2.897 4.248 1.00 3.40 H new ATOM 0 HD21 LEU A 38 -4.032 -3.263 2.224 1.00 42.21 H new ATOM 0 HD22 LEU A 38 -3.792 -3.408 3.981 1.00 42.21 H new ATOM 0 HD23 LEU A 38 -3.315 -4.743 2.905 1.00 42.21 H new ATOM 649 N LYS A 39 -7.102 -4.597 6.868 1.00 52.44 N ATOM 650 CA LYS A 39 -8.110 -3.804 7.579 1.00 13.22 C ATOM 651 C LYS A 39 -7.544 -3.221 8.890 1.00 73.24 C ATOM 652 O LYS A 39 -7.848 -2.090 9.261 1.00 63.35 O ATOM 653 CB LYS A 39 -9.339 -4.672 7.891 1.00 31.43 C ATOM 654 CG LYS A 39 -10.527 -3.886 8.438 1.00 42.41 C ATOM 655 CD LYS A 39 -11.646 -4.810 8.922 1.00 62.24 C ATOM 656 CE LYS A 39 -11.248 -5.567 10.183 1.00 21.52 C ATOM 657 NZ LYS A 39 -11.044 -4.647 11.336 1.00 0.22 N ATOM 0 H LYS A 39 -7.347 -5.580 6.752 1.00 52.44 H new ATOM 0 HA LYS A 39 -8.400 -2.976 6.932 1.00 13.22 H new ATOM 0 HB2 LYS A 39 -9.646 -5.190 6.983 1.00 31.43 H new ATOM 0 HB3 LYS A 39 -9.057 -5.437 8.615 1.00 31.43 H new ATOM 0 HG2 LYS A 39 -10.196 -3.254 9.262 1.00 42.41 H new ATOM 0 HG3 LYS A 39 -10.912 -3.224 7.663 1.00 42.41 H new ATOM 0 HD2 LYS A 39 -12.543 -4.223 9.118 1.00 62.24 H new ATOM 0 HD3 LYS A 39 -11.896 -5.521 8.135 1.00 62.24 H new ATOM 0 HE2 LYS A 39 -12.021 -6.294 10.430 1.00 21.52 H new ATOM 0 HE3 LYS A 39 -10.331 -6.127 9.997 1.00 21.52 H new ATOM 0 HZ1 LYS A 39 -11.027 -5.196 12.219 1.00 0.22 H new ATOM 0 HZ2 LYS A 39 -10.141 -4.144 11.223 1.00 0.22 H new ATOM 0 HZ3 LYS A 39 -11.822 -3.958 11.372 1.00 0.22 H new ATOM 671 N LYS A 40 -6.712 -4.006 9.580 1.00 15.35 N ATOM 672 CA LYS A 40 -6.117 -3.598 10.862 1.00 61.14 C ATOM 673 C LYS A 40 -5.290 -2.311 10.714 1.00 21.40 C ATOM 674 O LYS A 40 -5.344 -1.422 11.568 1.00 43.01 O ATOM 675 CB LYS A 40 -5.248 -4.738 11.423 1.00 14.24 C ATOM 676 CG LYS A 40 -4.564 -4.417 12.752 1.00 22.41 C ATOM 677 CD LYS A 40 -3.937 -5.659 13.388 1.00 62.45 C ATOM 678 CE LYS A 40 -2.862 -6.289 12.504 1.00 62.45 C ATOM 679 NZ LYS A 40 -1.675 -5.409 12.341 1.00 74.35 N ATOM 0 H LYS A 40 -6.431 -4.937 9.271 1.00 15.35 H new ATOM 0 HA LYS A 40 -6.926 -3.389 11.561 1.00 61.14 H new ATOM 0 HB2 LYS A 40 -5.871 -5.623 11.554 1.00 14.24 H new ATOM 0 HB3 LYS A 40 -4.485 -4.992 10.688 1.00 14.24 H new ATOM 0 HG2 LYS A 40 -3.793 -3.664 12.590 1.00 22.41 H new ATOM 0 HG3 LYS A 40 -5.292 -3.986 13.439 1.00 22.41 H new ATOM 0 HD2 LYS A 40 -3.500 -5.390 14.350 1.00 62.45 H new ATOM 0 HD3 LYS A 40 -4.717 -6.394 13.587 1.00 62.45 H new ATOM 0 HE2 LYS A 40 -2.550 -7.239 12.938 1.00 62.45 H new ATOM 0 HE3 LYS A 40 -3.285 -6.510 11.524 1.00 62.45 H new ATOM 0 HZ1 LYS A 40 -0.947 -5.907 11.790 1.00 74.35 H new ATOM 0 HZ2 LYS A 40 -1.953 -4.540 11.842 1.00 74.35 H new ATOM 0 HZ3 LYS A 40 -1.294 -5.164 13.277 1.00 74.35 H new ATOM 693 N TYR A 41 -4.532 -2.212 9.625 1.00 21.53 N ATOM 694 CA TYR A 41 -3.792 -0.986 9.313 1.00 13.33 C ATOM 695 C TYR A 41 -4.754 0.148 8.922 1.00 45.21 C ATOM 696 O TYR A 41 -4.614 1.285 9.382 1.00 4.14 O ATOM 697 CB TYR A 41 -2.779 -1.233 8.189 1.00 34.32 C ATOM 698 CG TYR A 41 -1.580 -2.064 8.613 1.00 30.11 C ATOM 699 CD1 TYR A 41 -0.472 -1.465 9.203 1.00 65.51 C ATOM 700 CD2 TYR A 41 -1.550 -3.440 8.419 1.00 61.40 C ATOM 701 CE1 TYR A 41 0.627 -2.213 9.583 1.00 71.10 C ATOM 702 CE2 TYR A 41 -0.455 -4.193 8.797 1.00 41.23 C ATOM 703 CZ TYR A 41 0.631 -3.575 9.378 1.00 41.44 C ATOM 704 OH TYR A 41 1.729 -4.320 9.748 1.00 53.44 O ATOM 0 H TYR A 41 -4.412 -2.962 8.944 1.00 21.53 H new ATOM 0 HA TYR A 41 -3.249 -0.685 10.209 1.00 13.33 H new ATOM 0 HB2 TYR A 41 -3.283 -1.735 7.363 1.00 34.32 H new ATOM 0 HB3 TYR A 41 -2.428 -0.272 7.812 1.00 34.32 H new ATOM 0 HD1 TYR A 41 -0.470 -0.398 9.367 1.00 65.51 H new ATOM 0 HD2 TYR A 41 -2.398 -3.930 7.964 1.00 61.40 H new ATOM 0 HE1 TYR A 41 1.479 -1.731 10.039 1.00 71.10 H new ATOM 0 HE2 TYR A 41 -0.450 -5.261 8.638 1.00 41.23 H new ATOM 0 HH TYR A 41 2.033 -4.855 8.985 1.00 53.44 H new ATOM 714 N LEU A 42 -5.734 -0.174 8.075 1.00 52.43 N ATOM 715 CA LEU A 42 -6.747 0.802 7.652 1.00 43.13 C ATOM 716 C LEU A 42 -7.524 1.380 8.845 1.00 20.53 C ATOM 717 O LEU A 42 -7.991 2.516 8.788 1.00 42.02 O ATOM 718 CB LEU A 42 -7.726 0.172 6.654 1.00 0.43 C ATOM 719 CG LEU A 42 -7.143 -0.178 5.276 1.00 42.41 C ATOM 720 CD1 LEU A 42 -8.240 -0.713 4.359 1.00 32.01 C ATOM 721 CD2 LEU A 42 -6.456 1.034 4.647 1.00 22.03 C ATOM 0 H LEU A 42 -5.850 -1.102 7.667 1.00 52.43 H new ATOM 0 HA LEU A 42 -6.215 1.621 7.168 1.00 43.13 H new ATOM 0 HB2 LEU A 42 -8.132 -0.737 7.097 1.00 0.43 H new ATOM 0 HB3 LEU A 42 -8.561 0.858 6.511 1.00 0.43 H new ATOM 0 HG LEU A 42 -6.391 -0.955 5.410 1.00 42.41 H new ATOM 0 HD11 LEU A 42 -7.814 -0.957 3.386 1.00 32.01 H new ATOM 0 HD12 LEU A 42 -8.677 -1.609 4.799 1.00 32.01 H new ATOM 0 HD13 LEU A 42 -9.014 0.045 4.236 1.00 32.01 H new ATOM 0 HD21 LEU A 42 -6.052 0.758 3.673 1.00 22.03 H new ATOM 0 HD22 LEU A 42 -7.180 1.840 4.525 1.00 22.03 H new ATOM 0 HD23 LEU A 42 -5.645 1.369 5.294 1.00 22.03 H new ATOM 733 N GLU A 43 -7.666 0.598 9.916 1.00 24.12 N ATOM 734 CA GLU A 43 -8.311 1.075 11.150 1.00 3.31 C ATOM 735 C GLU A 43 -7.667 2.382 11.638 1.00 61.13 C ATOM 736 O GLU A 43 -8.358 3.336 11.996 1.00 3.32 O ATOM 737 CB GLU A 43 -8.216 0.004 12.249 1.00 11.54 C ATOM 738 CG GLU A 43 -9.093 -1.225 12.017 1.00 31.24 C ATOM 739 CD GLU A 43 -10.578 -0.941 12.189 1.00 75.54 C ATOM 740 OE1 GLU A 43 -10.988 -0.562 13.306 1.00 1.44 O ATOM 741 OE2 GLU A 43 -11.349 -1.111 11.221 1.00 51.33 O ATOM 0 H GLU A 43 -7.345 -0.369 9.958 1.00 24.12 H new ATOM 0 HA GLU A 43 -9.360 1.269 10.929 1.00 3.31 H new ATOM 0 HB2 GLU A 43 -7.178 -0.318 12.336 1.00 11.54 H new ATOM 0 HB3 GLU A 43 -8.491 0.455 13.202 1.00 11.54 H new ATOM 0 HG2 GLU A 43 -8.916 -1.605 11.011 1.00 31.24 H new ATOM 0 HG3 GLU A 43 -8.797 -2.011 12.711 1.00 31.24 H new ATOM 748 N GLU A 44 -6.336 2.419 11.638 1.00 73.25 N ATOM 749 CA GLU A 44 -5.594 3.621 12.031 1.00 13.11 C ATOM 750 C GLU A 44 -5.723 4.723 10.964 1.00 0.51 C ATOM 751 O GLU A 44 -6.015 5.879 11.272 1.00 62.22 O ATOM 752 CB GLU A 44 -4.113 3.282 12.244 1.00 61.02 C ATOM 753 CG GLU A 44 -3.286 4.428 12.833 1.00 34.15 C ATOM 754 CD GLU A 44 -3.591 4.690 14.303 1.00 74.30 C ATOM 755 OE1 GLU A 44 -3.236 3.836 15.144 1.00 42.44 O ATOM 756 OE2 GLU A 44 -4.191 5.737 14.620 1.00 5.30 O ATOM 0 H GLU A 44 -5.746 1.631 11.370 1.00 73.25 H new ATOM 0 HA GLU A 44 -6.020 3.990 12.964 1.00 13.11 H new ATOM 0 HB2 GLU A 44 -4.041 2.419 12.906 1.00 61.02 H new ATOM 0 HB3 GLU A 44 -3.678 2.988 11.289 1.00 61.02 H new ATOM 0 HG2 GLU A 44 -2.226 4.197 12.723 1.00 34.15 H new ATOM 0 HG3 GLU A 44 -3.475 5.336 12.261 1.00 34.15 H new ATOM 763 N PHE A 45 -5.514 4.351 9.701 1.00 22.33 N ATOM 764 CA PHE A 45 -5.560 5.312 8.589 1.00 34.22 C ATOM 765 C PHE A 45 -6.948 5.957 8.442 1.00 73.33 C ATOM 766 O PHE A 45 -7.071 7.097 7.989 1.00 54.24 O ATOM 767 CB PHE A 45 -5.153 4.629 7.278 1.00 10.12 C ATOM 768 CG PHE A 45 -3.785 3.990 7.328 1.00 3.21 C ATOM 769 CD1 PHE A 45 -2.738 4.604 8.006 1.00 40.21 C ATOM 770 CD2 PHE A 45 -3.549 2.773 6.706 1.00 23.12 C ATOM 771 CE1 PHE A 45 -1.488 4.016 8.057 1.00 12.25 C ATOM 772 CE2 PHE A 45 -2.300 2.184 6.757 1.00 1.03 C ATOM 773 CZ PHE A 45 -1.270 2.805 7.432 1.00 3.13 C ATOM 0 H PHE A 45 -5.311 3.392 9.418 1.00 22.33 H new ATOM 0 HA PHE A 45 -4.851 6.108 8.817 1.00 34.22 H new ATOM 0 HB2 PHE A 45 -5.892 3.867 7.031 1.00 10.12 H new ATOM 0 HB3 PHE A 45 -5.172 5.364 6.474 1.00 10.12 H new ATOM 0 HD1 PHE A 45 -2.903 5.551 8.498 1.00 40.21 H new ATOM 0 HD2 PHE A 45 -4.350 2.280 6.176 1.00 23.12 H new ATOM 0 HE1 PHE A 45 -0.682 4.504 8.586 1.00 12.25 H new ATOM 0 HE2 PHE A 45 -2.130 1.236 6.268 1.00 1.03 H new ATOM 0 HZ PHE A 45 -0.294 2.344 7.471 1.00 3.13 H new ATOM 783 N ARG A 46 -7.985 5.221 8.830 1.00 24.20 N ATOM 784 CA ARG A 46 -9.358 5.736 8.813 1.00 72.50 C ATOM 785 C ARG A 46 -9.507 6.906 9.795 1.00 53.21 C ATOM 786 O ARG A 46 -10.198 7.885 9.520 1.00 42.42 O ATOM 787 CB ARG A 46 -10.335 4.614 9.184 1.00 11.05 C ATOM 788 CG ARG A 46 -11.808 5.001 9.100 1.00 3.21 C ATOM 789 CD ARG A 46 -12.696 3.877 9.620 1.00 22.32 C ATOM 790 NE ARG A 46 -12.303 3.483 10.973 1.00 43.25 N ATOM 791 CZ ARG A 46 -12.251 2.251 11.405 1.00 41.13 C ATOM 792 NH1 ARG A 46 -12.661 1.269 10.665 1.00 14.22 N ATOM 793 NH2 ARG A 46 -11.803 2.007 12.593 1.00 61.30 N ATOM 0 H ARG A 46 -7.904 4.260 9.163 1.00 24.20 H new ATOM 0 HA ARG A 46 -9.585 6.096 7.810 1.00 72.50 H new ATOM 0 HB2 ARG A 46 -10.158 3.764 8.525 1.00 11.05 H new ATOM 0 HB3 ARG A 46 -10.118 4.282 10.199 1.00 11.05 H new ATOM 0 HG2 ARG A 46 -11.984 5.907 9.680 1.00 3.21 H new ATOM 0 HG3 ARG A 46 -12.070 5.228 8.067 1.00 3.21 H new ATOM 0 HD2 ARG A 46 -13.737 4.201 9.619 1.00 22.32 H new ATOM 0 HD3 ARG A 46 -12.629 3.017 8.953 1.00 22.32 H new ATOM 0 HE ARG A 46 -12.051 4.224 11.627 1.00 43.25 H new ATOM 0 HH11 ARG A 46 -13.030 1.453 9.732 1.00 14.22 H new ATOM 0 HH12 ARG A 46 -12.614 0.312 11.015 1.00 14.22 H new ATOM 0 HH21 ARG A 46 -11.492 2.775 13.188 1.00 61.30 H new ATOM 0 HH22 ARG A 46 -11.760 1.047 12.935 1.00 61.30 H new ATOM 807 N LYS A 47 -8.839 6.790 10.938 1.00 63.24 N ATOM 808 CA LYS A 47 -8.837 7.846 11.952 1.00 34.04 C ATOM 809 C LYS A 47 -8.279 9.161 11.384 1.00 51.31 C ATOM 810 O LYS A 47 -8.750 10.251 11.720 1.00 75.30 O ATOM 811 CB LYS A 47 -7.993 7.402 13.151 1.00 54.11 C ATOM 812 CG LYS A 47 -8.469 6.096 13.784 1.00 34.40 C ATOM 813 CD LYS A 47 -7.422 5.512 14.732 1.00 11.02 C ATOM 814 CE LYS A 47 -7.055 6.478 15.850 1.00 64.40 C ATOM 815 NZ LYS A 47 -5.988 5.928 16.724 1.00 64.34 N ATOM 0 H LYS A 47 -8.287 5.970 11.189 1.00 63.24 H new ATOM 0 HA LYS A 47 -9.866 8.022 12.267 1.00 34.04 H new ATOM 0 HB2 LYS A 47 -6.957 7.285 12.832 1.00 54.11 H new ATOM 0 HB3 LYS A 47 -8.007 8.188 13.906 1.00 54.11 H new ATOM 0 HG2 LYS A 47 -9.396 6.273 14.330 1.00 34.40 H new ATOM 0 HG3 LYS A 47 -8.694 5.373 13.000 1.00 34.40 H new ATOM 0 HD2 LYS A 47 -7.802 4.586 15.164 1.00 11.02 H new ATOM 0 HD3 LYS A 47 -6.526 5.256 14.167 1.00 11.02 H new ATOM 0 HE2 LYS A 47 -6.722 7.423 15.420 1.00 64.40 H new ATOM 0 HE3 LYS A 47 -7.940 6.695 16.449 1.00 64.40 H new ATOM 0 HZ1 LYS A 47 -5.765 6.614 17.473 1.00 64.34 H new ATOM 0 HZ2 LYS A 47 -6.315 5.039 17.154 1.00 64.34 H new ATOM 0 HZ3 LYS A 47 -5.135 5.745 16.158 1.00 64.34 H new ATOM 829 N GLU A 48 -7.271 9.045 10.519 1.00 62.11 N ATOM 830 CA GLU A 48 -6.625 10.210 9.900 1.00 25.54 C ATOM 831 C GLU A 48 -7.177 10.475 8.482 1.00 73.34 C ATOM 832 O GLU A 48 -6.620 11.275 7.727 1.00 52.22 O ATOM 833 CB GLU A 48 -5.105 9.979 9.821 1.00 50.04 C ATOM 834 CG GLU A 48 -4.485 9.372 11.083 1.00 61.25 C ATOM 835 CD GLU A 48 -4.666 10.232 12.328 1.00 31.04 C ATOM 836 OE1 GLU A 48 -3.886 11.191 12.517 1.00 51.31 O ATOM 837 OE2 GLU A 48 -5.579 9.944 13.133 1.00 62.51 O ATOM 0 H GLU A 48 -6.879 8.149 10.227 1.00 62.11 H new ATOM 0 HA GLU A 48 -6.840 11.081 10.519 1.00 25.54 H new ATOM 0 HB2 GLU A 48 -4.894 9.323 8.977 1.00 50.04 H new ATOM 0 HB3 GLU A 48 -4.616 10.931 9.614 1.00 50.04 H new ATOM 0 HG2 GLU A 48 -4.929 8.393 11.261 1.00 61.25 H new ATOM 0 HG3 GLU A 48 -3.420 9.213 10.914 1.00 61.25 H new ATOM 844 N SER A 49 -8.300 9.827 8.149 1.00 3.13 N ATOM 845 CA SER A 49 -8.865 9.839 6.779 1.00 41.30 C ATOM 846 C SER A 49 -9.069 11.249 6.197 1.00 61.31 C ATOM 847 O SER A 49 -9.133 11.415 4.978 1.00 13.34 O ATOM 848 CB SER A 49 -10.211 9.099 6.750 1.00 14.20 C ATOM 849 OG SER A 49 -10.832 9.182 5.470 1.00 53.41 O ATOM 0 H SER A 49 -8.847 9.279 8.813 1.00 3.13 H new ATOM 0 HA SER A 49 -8.125 9.336 6.157 1.00 41.30 H new ATOM 0 HB2 SER A 49 -10.056 8.052 7.012 1.00 14.20 H new ATOM 0 HB3 SER A 49 -10.875 9.522 7.504 1.00 14.20 H new ATOM 0 HG SER A 49 -11.685 8.699 5.488 1.00 53.41 H new ATOM 855 N GLN A 50 -9.167 12.254 7.059 1.00 63.45 N ATOM 856 CA GLN A 50 -9.521 13.612 6.625 1.00 55.13 C ATOM 857 C GLN A 50 -8.496 14.223 5.646 1.00 11.35 C ATOM 858 O GLN A 50 -8.867 15.010 4.770 1.00 12.41 O ATOM 859 CB GLN A 50 -9.701 14.520 7.848 1.00 34.22 C ATOM 860 CG GLN A 50 -10.718 13.981 8.848 1.00 40.21 C ATOM 861 CD GLN A 50 -11.115 14.996 9.904 1.00 60.22 C ATOM 862 OE1 GLN A 50 -10.489 15.104 10.952 1.00 14.15 O ATOM 863 NE2 GLN A 50 -12.165 15.747 9.638 1.00 10.23 N ATOM 0 H GLN A 50 -9.008 12.161 8.062 1.00 63.45 H new ATOM 0 HA GLN A 50 -10.461 13.536 6.078 1.00 55.13 H new ATOM 0 HB2 GLN A 50 -8.740 14.643 8.347 1.00 34.22 H new ATOM 0 HB3 GLN A 50 -10.016 15.509 7.516 1.00 34.22 H new ATOM 0 HG2 GLN A 50 -11.610 13.658 8.311 1.00 40.21 H new ATOM 0 HG3 GLN A 50 -10.304 13.100 9.338 1.00 40.21 H new ATOM 0 HE21 GLN A 50 -12.664 15.632 8.756 1.00 10.23 H new ATOM 0 HE22 GLN A 50 -12.478 16.443 10.314 1.00 10.23 H new ATOM 872 N ASN A 51 -7.215 13.868 5.786 1.00 41.44 N ATOM 873 CA ASN A 51 -6.159 14.401 4.897 1.00 52.34 C ATOM 874 C ASN A 51 -5.107 13.328 4.556 1.00 64.10 C ATOM 875 O ASN A 51 -3.911 13.608 4.555 1.00 54.23 O ATOM 876 CB ASN A 51 -5.449 15.603 5.552 1.00 40.35 C ATOM 877 CG ASN A 51 -6.407 16.662 6.065 1.00 21.21 C ATOM 878 OD1 ASN A 51 -6.848 17.539 5.325 1.00 15.42 O ATOM 879 ND2 ASN A 51 -6.712 16.607 7.345 1.00 51.25 N ATOM 0 H ASN A 51 -6.879 13.220 6.498 1.00 41.44 H new ATOM 0 HA ASN A 51 -6.650 14.718 3.977 1.00 52.34 H new ATOM 0 HB2 ASN A 51 -4.836 15.247 6.380 1.00 40.35 H new ATOM 0 HB3 ASN A 51 -4.773 16.056 4.827 1.00 40.35 H new ATOM 0 HD21 ASN A 51 -7.333 17.307 7.752 1.00 51.25 H new ATOM 0 HD22 ASN A 51 -6.327 15.865 7.929 1.00 51.25 H new ATOM 886 N ILE A 52 -5.544 12.115 4.229 1.00 2.45 N ATOM 887 CA ILE A 52 -4.610 10.991 4.053 1.00 75.03 C ATOM 888 C ILE A 52 -4.669 10.374 2.641 1.00 42.41 C ATOM 889 O ILE A 52 -5.702 10.410 1.973 1.00 74.32 O ATOM 890 CB ILE A 52 -4.900 9.877 5.092 1.00 61.43 C ATOM 891 CG1 ILE A 52 -3.731 8.883 5.176 1.00 63.25 C ATOM 892 CG2 ILE A 52 -6.198 9.143 4.747 1.00 42.33 C ATOM 893 CD1 ILE A 52 -3.932 7.801 6.218 1.00 61.34 C ATOM 0 H ILE A 52 -6.525 11.880 4.081 1.00 2.45 H new ATOM 0 HA ILE A 52 -3.612 11.403 4.199 1.00 75.03 H new ATOM 0 HB ILE A 52 -5.016 10.350 6.067 1.00 61.43 H new ATOM 0 HG12 ILE A 52 -3.591 8.416 4.201 1.00 63.25 H new ATOM 0 HG13 ILE A 52 -2.815 9.429 5.403 1.00 63.25 H new ATOM 0 HG21 ILE A 52 -6.384 8.365 5.488 1.00 42.33 H new ATOM 0 HG22 ILE A 52 -7.027 9.850 4.748 1.00 42.33 H new ATOM 0 HG23 ILE A 52 -6.108 8.690 3.760 1.00 42.33 H new ATOM 0 HD11 ILE A 52 -3.069 7.135 6.222 1.00 61.34 H new ATOM 0 HD12 ILE A 52 -4.042 8.259 7.201 1.00 61.34 H new ATOM 0 HD13 ILE A 52 -4.830 7.230 5.981 1.00 61.34 H new ATOM 905 N LYS A 53 -3.537 9.825 2.195 1.00 4.00 N ATOM 906 CA LYS A 53 -3.489 8.978 0.995 1.00 32.43 C ATOM 907 C LYS A 53 -2.688 7.699 1.290 1.00 70.21 C ATOM 908 O LYS A 53 -1.510 7.767 1.649 1.00 3.22 O ATOM 909 CB LYS A 53 -2.847 9.706 -0.201 1.00 73.15 C ATOM 910 CG LYS A 53 -3.524 11.016 -0.599 1.00 35.43 C ATOM 911 CD LYS A 53 -3.119 11.465 -2.009 1.00 24.41 C ATOM 912 CE LYS A 53 -3.437 10.399 -3.057 1.00 22.13 C ATOM 913 NZ LYS A 53 -3.269 10.885 -4.455 1.00 51.21 N ATOM 0 H LYS A 53 -2.633 9.952 2.649 1.00 4.00 H new ATOM 0 HA LYS A 53 -4.517 8.731 0.731 1.00 32.43 H new ATOM 0 HB2 LYS A 53 -1.803 9.911 0.036 1.00 73.15 H new ATOM 0 HB3 LYS A 53 -2.853 9.036 -1.061 1.00 73.15 H new ATOM 0 HG2 LYS A 53 -4.606 10.893 -0.554 1.00 35.43 H new ATOM 0 HG3 LYS A 53 -3.261 11.793 0.119 1.00 35.43 H new ATOM 0 HD2 LYS A 53 -3.640 12.389 -2.260 1.00 24.41 H new ATOM 0 HD3 LYS A 53 -2.052 11.686 -2.028 1.00 24.41 H new ATOM 0 HE2 LYS A 53 -2.789 9.537 -2.898 1.00 22.13 H new ATOM 0 HE3 LYS A 53 -4.463 10.057 -2.919 1.00 22.13 H new ATOM 0 HZ1 LYS A 53 -3.931 10.382 -5.079 1.00 51.21 H new ATOM 0 HZ2 LYS A 53 -3.465 11.906 -4.494 1.00 51.21 H new ATOM 0 HZ3 LYS A 53 -2.294 10.708 -4.769 1.00 51.21 H new ATOM 927 N VAL A 54 -3.324 6.536 1.152 1.00 34.12 N ATOM 928 CA VAL A 54 -2.646 5.253 1.398 1.00 52.21 C ATOM 929 C VAL A 54 -2.419 4.467 0.093 1.00 31.33 C ATOM 930 O VAL A 54 -3.371 4.057 -0.565 1.00 0.50 O ATOM 931 CB VAL A 54 -3.451 4.366 2.382 1.00 32.43 C ATOM 932 CG1 VAL A 54 -2.705 3.066 2.678 1.00 22.10 C ATOM 933 CG2 VAL A 54 -3.751 5.128 3.673 1.00 34.13 C ATOM 0 H VAL A 54 -4.301 6.450 0.873 1.00 34.12 H new ATOM 0 HA VAL A 54 -1.680 5.498 1.839 1.00 52.21 H new ATOM 0 HB VAL A 54 -4.400 4.109 1.910 1.00 32.43 H new ATOM 0 HG11 VAL A 54 -3.290 2.461 3.371 1.00 22.10 H new ATOM 0 HG12 VAL A 54 -2.555 2.513 1.751 1.00 22.10 H new ATOM 0 HG13 VAL A 54 -1.737 3.295 3.124 1.00 22.10 H new ATOM 0 HG21 VAL A 54 -4.317 4.488 4.350 1.00 34.13 H new ATOM 0 HG22 VAL A 54 -2.815 5.422 4.148 1.00 34.13 H new ATOM 0 HG23 VAL A 54 -4.336 6.019 3.442 1.00 34.13 H new ATOM 943 N LEU A 55 -1.155 4.251 -0.269 1.00 53.34 N ATOM 944 CA LEU A 55 -0.805 3.480 -1.469 1.00 41.42 C ATOM 945 C LEU A 55 -0.644 1.987 -1.130 1.00 53.21 C ATOM 946 O LEU A 55 0.248 1.612 -0.371 1.00 62.24 O ATOM 947 CB LEU A 55 0.499 4.020 -2.080 1.00 75.31 C ATOM 948 CG LEU A 55 0.970 3.316 -3.365 1.00 33.42 C ATOM 949 CD1 LEU A 55 0.019 3.602 -4.526 1.00 42.34 C ATOM 950 CD2 LEU A 55 2.399 3.727 -3.713 1.00 54.10 C ATOM 0 H LEU A 55 -0.350 4.600 0.252 1.00 53.34 H new ATOM 0 HA LEU A 55 -1.613 3.586 -2.193 1.00 41.42 H new ATOM 0 HB2 LEU A 55 0.367 5.080 -2.295 1.00 75.31 H new ATOM 0 HB3 LEU A 55 1.289 3.942 -1.333 1.00 75.31 H new ATOM 0 HG LEU A 55 0.961 2.241 -3.185 1.00 33.42 H new ATOM 0 HD11 LEU A 55 0.375 3.093 -5.422 1.00 42.34 H new ATOM 0 HD12 LEU A 55 -0.979 3.242 -4.276 1.00 42.34 H new ATOM 0 HD13 LEU A 55 -0.018 4.676 -4.710 1.00 42.34 H new ATOM 0 HD21 LEU A 55 2.712 3.218 -4.625 1.00 54.10 H new ATOM 0 HD22 LEU A 55 2.440 4.805 -3.867 1.00 54.10 H new ATOM 0 HD23 LEU A 55 3.066 3.452 -2.896 1.00 54.10 H new ATOM 962 N ILE A 56 -1.509 1.142 -1.687 1.00 61.25 N ATOM 963 CA ILE A 56 -1.470 -0.303 -1.414 1.00 61.41 C ATOM 964 C ILE A 56 -0.962 -1.092 -2.636 1.00 34.33 C ATOM 965 O ILE A 56 -1.568 -1.048 -3.703 1.00 34.25 O ATOM 966 CB ILE A 56 -2.872 -0.838 -1.011 1.00 34.31 C ATOM 967 CG1 ILE A 56 -3.423 -0.051 0.194 1.00 45.22 C ATOM 968 CG2 ILE A 56 -2.806 -2.334 -0.694 1.00 23.34 C ATOM 969 CD1 ILE A 56 -4.814 -0.477 0.627 1.00 21.15 C ATOM 0 H ILE A 56 -2.247 1.428 -2.331 1.00 61.25 H new ATOM 0 HA ILE A 56 -0.779 -0.448 -0.584 1.00 61.41 H new ATOM 0 HB ILE A 56 -3.550 -0.697 -1.853 1.00 34.31 H new ATOM 0 HG12 ILE A 56 -2.740 -0.169 1.035 1.00 45.22 H new ATOM 0 HG13 ILE A 56 -3.440 1.010 -0.056 1.00 45.22 H new ATOM 0 HG21 ILE A 56 -3.797 -2.691 -0.414 1.00 23.34 H new ATOM 0 HG22 ILE A 56 -2.460 -2.877 -1.573 1.00 23.34 H new ATOM 0 HG23 ILE A 56 -2.114 -2.501 0.131 1.00 23.34 H new ATOM 0 HD11 ILE A 56 -5.130 0.124 1.480 1.00 21.15 H new ATOM 0 HD12 ILE A 56 -5.512 -0.332 -0.197 1.00 21.15 H new ATOM 0 HD13 ILE A 56 -4.801 -1.530 0.910 1.00 21.15 H new ATOM 981 N LEU A 57 0.150 -1.807 -2.472 1.00 3.05 N ATOM 982 CA LEU A 57 0.728 -2.616 -3.556 1.00 75.54 C ATOM 983 C LEU A 57 0.431 -4.109 -3.350 1.00 45.11 C ATOM 984 O LEU A 57 0.777 -4.684 -2.320 1.00 32.13 O ATOM 985 CB LEU A 57 2.252 -2.402 -3.658 1.00 35.15 C ATOM 986 CG LEU A 57 2.711 -1.034 -4.202 1.00 14.10 C ATOM 987 CD1 LEU A 57 2.060 -0.741 -5.551 1.00 71.22 C ATOM 988 CD2 LEU A 57 2.418 0.086 -3.208 1.00 31.01 C ATOM 0 H LEU A 57 0.674 -1.846 -1.598 1.00 3.05 H new ATOM 0 HA LEU A 57 0.264 -2.289 -4.486 1.00 75.54 H new ATOM 0 HB2 LEU A 57 2.685 -2.540 -2.667 1.00 35.15 H new ATOM 0 HB3 LEU A 57 2.666 -3.182 -4.298 1.00 35.15 H new ATOM 0 HG LEU A 57 3.791 -1.080 -4.344 1.00 14.10 H new ATOM 0 HD11 LEU A 57 2.398 0.229 -5.915 1.00 71.22 H new ATOM 0 HD12 LEU A 57 2.340 -1.515 -6.266 1.00 71.22 H new ATOM 0 HD13 LEU A 57 0.976 -0.728 -5.437 1.00 71.22 H new ATOM 0 HD21 LEU A 57 2.754 1.037 -3.622 1.00 31.01 H new ATOM 0 HD22 LEU A 57 1.346 0.132 -3.017 1.00 31.01 H new ATOM 0 HD23 LEU A 57 2.945 -0.109 -2.274 1.00 31.01 H new ATOM 1000 N VAL A 58 -0.202 -4.731 -4.339 1.00 22.13 N ATOM 1001 CA VAL A 58 -0.544 -6.157 -4.269 1.00 75.45 C ATOM 1002 C VAL A 58 0.084 -6.946 -5.429 1.00 5.41 C ATOM 1003 O VAL A 58 0.487 -6.369 -6.436 1.00 74.33 O ATOM 1004 CB VAL A 58 -2.074 -6.363 -4.297 1.00 0.33 C ATOM 1005 CG1 VAL A 58 -2.741 -5.645 -3.125 1.00 62.54 C ATOM 1006 CG2 VAL A 58 -2.649 -5.890 -5.627 1.00 32.52 C ATOM 0 H VAL A 58 -0.492 -4.273 -5.203 1.00 22.13 H new ATOM 0 HA VAL A 58 -0.143 -6.530 -3.327 1.00 75.45 H new ATOM 0 HB VAL A 58 -2.280 -7.428 -4.195 1.00 0.33 H new ATOM 0 HG11 VAL A 58 -3.818 -5.805 -3.166 1.00 62.54 H new ATOM 0 HG12 VAL A 58 -2.351 -6.040 -2.187 1.00 62.54 H new ATOM 0 HG13 VAL A 58 -2.530 -4.577 -3.185 1.00 62.54 H new ATOM 0 HG21 VAL A 58 -3.728 -6.042 -5.631 1.00 32.52 H new ATOM 0 HG22 VAL A 58 -2.431 -4.831 -5.761 1.00 32.52 H new ATOM 0 HG23 VAL A 58 -2.199 -6.459 -6.441 1.00 32.52 H new ATOM 1016 N SER A 59 0.147 -8.266 -5.279 1.00 21.33 N ATOM 1017 CA SER A 59 0.757 -9.149 -6.290 1.00 12.45 C ATOM 1018 C SER A 59 -0.220 -9.506 -7.425 1.00 73.34 C ATOM 1019 O SER A 59 0.074 -9.299 -8.602 1.00 4.30 O ATOM 1020 CB SER A 59 1.258 -10.434 -5.619 1.00 61.41 C ATOM 1021 OG SER A 59 0.205 -11.088 -4.927 1.00 63.55 O ATOM 0 H SER A 59 -0.218 -8.758 -4.463 1.00 21.33 H new ATOM 0 HA SER A 59 1.590 -8.605 -6.736 1.00 12.45 H new ATOM 0 HB2 SER A 59 1.675 -11.103 -6.372 1.00 61.41 H new ATOM 0 HB3 SER A 59 2.063 -10.196 -4.924 1.00 61.41 H new ATOM 0 HG SER A 59 -0.193 -11.771 -5.507 1.00 63.55 H new ATOM 1027 N ASN A 60 -1.382 -10.056 -7.070 1.00 34.35 N ATOM 1028 CA ASN A 60 -2.368 -10.491 -8.075 1.00 20.14 C ATOM 1029 C ASN A 60 -3.698 -9.726 -7.945 1.00 13.43 C ATOM 1030 O ASN A 60 -3.884 -8.914 -7.038 1.00 42.11 O ATOM 1031 CB ASN A 60 -2.626 -11.998 -7.957 1.00 20.30 C ATOM 1032 CG ASN A 60 -1.341 -12.799 -7.893 1.00 64.01 C ATOM 1033 OD1 ASN A 60 -0.843 -13.019 -6.694 1.00 35.33 O flip ATOM 1034 ND2 ASN A 60 -0.798 -13.215 -8.913 1.00 43.10 N flip ATOM 0 H ASN A 60 -1.667 -10.212 -6.103 1.00 34.35 H new ATOM 0 HA ASN A 60 -1.946 -10.269 -9.055 1.00 20.14 H new ATOM 0 HB2 ASN A 60 -3.218 -12.194 -7.063 1.00 20.30 H new ATOM 0 HB3 ASN A 60 -3.217 -12.331 -8.810 1.00 20.30 H new ATOM 0 HD21 ASN A 60 -1.213 -13.025 -9.825 1.00 43.10 H new ATOM 0 HD22 ASN A 60 0.068 -13.750 -8.848 1.00 43.10 H new ATOM 1041 N ASP A 61 -4.622 -10.004 -8.864 1.00 11.52 N ATOM 1042 CA ASP A 61 -5.913 -9.308 -8.915 1.00 25.05 C ATOM 1043 C ASP A 61 -6.841 -9.658 -7.736 1.00 41.51 C ATOM 1044 O ASP A 61 -7.722 -8.869 -7.388 1.00 11.41 O ATOM 1045 CB ASP A 61 -6.609 -9.589 -10.250 1.00 21.11 C ATOM 1046 CG ASP A 61 -5.833 -9.007 -11.419 1.00 65.42 C ATOM 1047 OD1 ASP A 61 -4.894 -9.674 -11.910 1.00 43.13 O ATOM 1048 OD2 ASP A 61 -6.130 -7.863 -11.830 1.00 54.23 O ATOM 0 H ASP A 61 -4.502 -10.711 -9.589 1.00 11.52 H new ATOM 0 HA ASP A 61 -5.700 -8.243 -8.829 1.00 25.05 H new ATOM 0 HB2 ASP A 61 -6.718 -10.665 -10.385 1.00 21.11 H new ATOM 0 HB3 ASP A 61 -7.614 -9.167 -10.233 1.00 21.11 H new ATOM 1053 N GLU A 62 -6.659 -10.827 -7.120 1.00 51.11 N ATOM 1054 CA GLU A 62 -7.498 -11.213 -5.973 1.00 43.53 C ATOM 1055 C GLU A 62 -7.208 -10.338 -4.743 1.00 55.22 C ATOM 1056 O GLU A 62 -8.120 -9.752 -4.159 1.00 0.11 O ATOM 1057 CB GLU A 62 -7.303 -12.691 -5.620 1.00 42.12 C ATOM 1058 CG GLU A 62 -8.103 -13.127 -4.395 1.00 20.14 C ATOM 1059 CD GLU A 62 -8.108 -14.631 -4.192 1.00 31.20 C ATOM 1060 OE1 GLU A 62 -7.180 -15.159 -3.545 1.00 15.34 O ATOM 1061 OE2 GLU A 62 -9.045 -15.295 -4.678 1.00 53.50 O ATOM 0 H GLU A 62 -5.954 -11.515 -7.385 1.00 51.11 H new ATOM 0 HA GLU A 62 -8.536 -11.057 -6.268 1.00 43.53 H new ATOM 0 HB2 GLU A 62 -7.595 -13.303 -6.473 1.00 42.12 H new ATOM 0 HB3 GLU A 62 -6.244 -12.878 -5.440 1.00 42.12 H new ATOM 0 HG2 GLU A 62 -7.688 -12.648 -3.508 1.00 20.14 H new ATOM 0 HG3 GLU A 62 -9.130 -12.776 -4.496 1.00 20.14 H new ATOM 1068 N GLU A 63 -5.937 -10.249 -4.356 1.00 45.03 N ATOM 1069 CA GLU A 63 -5.526 -9.354 -3.268 1.00 62.23 C ATOM 1070 C GLU A 63 -5.809 -7.887 -3.638 1.00 41.52 C ATOM 1071 O GLU A 63 -6.109 -7.065 -2.774 1.00 21.43 O ATOM 1072 CB GLU A 63 -4.039 -9.552 -2.885 1.00 43.10 C ATOM 1073 CG GLU A 63 -3.106 -9.929 -4.038 1.00 70.41 C ATOM 1074 CD GLU A 63 -3.044 -11.435 -4.279 1.00 24.15 C ATOM 1075 OE1 GLU A 63 -2.205 -12.108 -3.649 1.00 42.14 O ATOM 1076 OE2 GLU A 63 -3.834 -11.946 -5.097 1.00 65.13 O ATOM 0 H GLU A 63 -5.175 -10.782 -4.775 1.00 45.03 H new ATOM 0 HA GLU A 63 -6.119 -9.611 -2.391 1.00 62.23 H new ATOM 0 HB2 GLU A 63 -3.673 -8.631 -2.431 1.00 43.10 H new ATOM 0 HB3 GLU A 63 -3.979 -10.329 -2.123 1.00 43.10 H new ATOM 0 HG2 GLU A 63 -3.442 -9.433 -4.949 1.00 70.41 H new ATOM 0 HG3 GLU A 63 -2.104 -9.558 -3.825 1.00 70.41 H new ATOM 1083 N LEU A 64 -5.720 -7.576 -4.932 1.00 1.14 N ATOM 1084 CA LEU A 64 -6.136 -6.267 -5.457 1.00 10.44 C ATOM 1085 C LEU A 64 -7.619 -6.000 -5.145 1.00 43.43 C ATOM 1086 O LEU A 64 -7.990 -4.927 -4.659 1.00 54.45 O ATOM 1087 CB LEU A 64 -5.902 -6.232 -6.976 1.00 33.33 C ATOM 1088 CG LEU A 64 -6.220 -4.903 -7.687 1.00 22.32 C ATOM 1089 CD1 LEU A 64 -5.306 -3.789 -7.193 1.00 43.42 C ATOM 1090 CD2 LEU A 64 -6.105 -5.064 -9.203 1.00 51.45 C ATOM 0 H LEU A 64 -5.362 -8.214 -5.642 1.00 1.14 H new ATOM 0 HA LEU A 64 -5.543 -5.489 -4.977 1.00 10.44 H new ATOM 0 HB2 LEU A 64 -4.858 -6.480 -7.167 1.00 33.33 H new ATOM 0 HB3 LEU A 64 -6.505 -7.017 -7.433 1.00 33.33 H new ATOM 0 HG LEU A 64 -7.247 -4.627 -7.447 1.00 22.32 H new ATOM 0 HD11 LEU A 64 -5.551 -2.861 -7.710 1.00 43.42 H new ATOM 0 HD12 LEU A 64 -5.444 -3.654 -6.120 1.00 43.42 H new ATOM 0 HD13 LEU A 64 -4.268 -4.054 -7.394 1.00 43.42 H new ATOM 0 HD21 LEU A 64 -6.333 -4.115 -9.688 1.00 51.45 H new ATOM 0 HD22 LEU A 64 -5.091 -5.369 -9.461 1.00 51.45 H new ATOM 0 HD23 LEU A 64 -6.809 -5.824 -9.543 1.00 51.45 H new ATOM 1102 N ASP A 65 -8.458 -6.997 -5.428 1.00 61.01 N ATOM 1103 CA ASP A 65 -9.894 -6.919 -5.155 1.00 4.12 C ATOM 1104 C ASP A 65 -10.166 -6.769 -3.650 1.00 4.23 C ATOM 1105 O ASP A 65 -10.840 -5.831 -3.224 1.00 64.23 O ATOM 1106 CB ASP A 65 -10.591 -8.171 -5.702 1.00 63.22 C ATOM 1107 CG ASP A 65 -12.094 -8.141 -5.492 1.00 42.11 C ATOM 1108 OD1 ASP A 65 -12.786 -7.430 -6.249 1.00 23.03 O ATOM 1109 OD2 ASP A 65 -12.586 -8.827 -4.574 1.00 63.52 O ATOM 0 H ASP A 65 -8.164 -7.877 -5.851 1.00 61.01 H new ATOM 0 HA ASP A 65 -10.294 -6.036 -5.654 1.00 4.12 H new ATOM 0 HB2 ASP A 65 -10.378 -8.265 -6.767 1.00 63.22 H new ATOM 0 HB3 ASP A 65 -10.177 -9.054 -5.216 1.00 63.22 H new ATOM 1114 N LYS A 66 -9.622 -7.690 -2.858 1.00 70.24 N ATOM 1115 CA LYS A 66 -9.811 -7.689 -1.401 1.00 44.22 C ATOM 1116 C LYS A 66 -9.361 -6.368 -0.758 1.00 63.21 C ATOM 1117 O LYS A 66 -10.079 -5.785 0.058 1.00 10.05 O ATOM 1118 CB LYS A 66 -9.043 -8.862 -0.778 1.00 62.31 C ATOM 1119 CG LYS A 66 -9.540 -10.233 -1.233 1.00 52.05 C ATOM 1120 CD LYS A 66 -10.964 -10.509 -0.757 1.00 25.23 C ATOM 1121 CE LYS A 66 -11.054 -10.548 0.767 1.00 14.23 C ATOM 1122 NZ LYS A 66 -12.438 -10.806 1.243 1.00 63.14 N ATOM 0 H LYS A 66 -9.041 -8.455 -3.201 1.00 70.24 H new ATOM 0 HA LYS A 66 -10.878 -7.798 -1.208 1.00 44.22 H new ATOM 0 HB2 LYS A 66 -7.986 -8.767 -1.029 1.00 62.31 H new ATOM 0 HB3 LYS A 66 -9.120 -8.799 0.307 1.00 62.31 H new ATOM 0 HG2 LYS A 66 -9.503 -10.290 -2.321 1.00 52.05 H new ATOM 0 HG3 LYS A 66 -8.873 -11.006 -0.851 1.00 52.05 H new ATOM 0 HD2 LYS A 66 -11.632 -9.738 -1.141 1.00 25.23 H new ATOM 0 HD3 LYS A 66 -11.306 -11.460 -1.166 1.00 25.23 H new ATOM 0 HE2 LYS A 66 -10.390 -11.324 1.148 1.00 14.23 H new ATOM 0 HE3 LYS A 66 -10.703 -9.600 1.174 1.00 14.23 H new ATOM 0 HZ1 LYS A 66 -12.433 -10.925 2.276 1.00 63.14 H new ATOM 0 HZ2 LYS A 66 -13.048 -10.003 0.990 1.00 63.14 H new ATOM 0 HZ3 LYS A 66 -12.803 -11.672 0.797 1.00 63.14 H new ATOM 1136 N ALA A 67 -8.171 -5.902 -1.128 1.00 22.14 N ATOM 1137 CA ALA A 67 -7.620 -4.656 -0.585 1.00 42.54 C ATOM 1138 C ALA A 67 -8.548 -3.456 -0.835 1.00 55.32 C ATOM 1139 O ALA A 67 -8.823 -2.671 0.076 1.00 31.23 O ATOM 1140 CB ALA A 67 -6.238 -4.389 -1.174 1.00 73.21 C ATOM 0 H ALA A 67 -7.565 -6.368 -1.804 1.00 22.14 H new ATOM 0 HA ALA A 67 -7.534 -4.780 0.494 1.00 42.54 H new ATOM 0 HB1 ALA A 67 -5.840 -3.461 -0.763 1.00 73.21 H new ATOM 0 HB2 ALA A 67 -5.570 -5.213 -0.923 1.00 73.21 H new ATOM 0 HB3 ALA A 67 -6.315 -4.302 -2.258 1.00 73.21 H new ATOM 1146 N LYS A 68 -9.032 -3.307 -2.072 1.00 71.13 N ATOM 1147 CA LYS A 68 -9.922 -2.189 -2.406 1.00 23.14 C ATOM 1148 C LYS A 68 -11.311 -2.375 -1.769 1.00 31.32 C ATOM 1149 O LYS A 68 -11.944 -1.403 -1.358 1.00 11.23 O ATOM 1150 CB LYS A 68 -10.048 -2.006 -3.932 1.00 61.45 C ATOM 1151 CG LYS A 68 -10.993 -2.990 -4.623 1.00 63.41 C ATOM 1152 CD LYS A 68 -11.148 -2.678 -6.112 1.00 24.21 C ATOM 1153 CE LYS A 68 -12.286 -3.472 -6.744 1.00 15.41 C ATOM 1154 NZ LYS A 68 -12.066 -4.938 -6.658 1.00 61.14 N ATOM 0 H LYS A 68 -8.827 -3.936 -2.849 1.00 71.13 H new ATOM 0 HA LYS A 68 -9.475 -1.284 -1.994 1.00 23.14 H new ATOM 0 HB2 LYS A 68 -10.392 -0.992 -4.134 1.00 61.45 H new ATOM 0 HB3 LYS A 68 -9.058 -2.102 -4.378 1.00 61.45 H new ATOM 0 HG2 LYS A 68 -10.613 -4.005 -4.502 1.00 63.41 H new ATOM 0 HG3 LYS A 68 -11.970 -2.955 -4.141 1.00 63.41 H new ATOM 0 HD2 LYS A 68 -11.333 -1.612 -6.242 1.00 24.21 H new ATOM 0 HD3 LYS A 68 -10.216 -2.905 -6.629 1.00 24.21 H new ATOM 0 HE2 LYS A 68 -13.223 -3.218 -6.248 1.00 15.41 H new ATOM 0 HE3 LYS A 68 -12.390 -3.183 -7.790 1.00 15.41 H new ATOM 0 HZ1 LYS A 68 -12.830 -5.434 -7.160 1.00 61.14 H new ATOM 0 HZ2 LYS A 68 -11.153 -5.178 -7.094 1.00 61.14 H new ATOM 0 HZ3 LYS A 68 -12.060 -5.230 -5.660 1.00 61.14 H new ATOM 1168 N GLU A 69 -11.777 -3.625 -1.681 1.00 42.42 N ATOM 1169 CA GLU A 69 -13.063 -3.929 -1.039 1.00 61.01 C ATOM 1170 C GLU A 69 -13.098 -3.411 0.402 1.00 73.32 C ATOM 1171 O GLU A 69 -13.986 -2.639 0.768 1.00 61.44 O ATOM 1172 CB GLU A 69 -13.341 -5.443 -1.059 1.00 13.31 C ATOM 1173 CG GLU A 69 -13.815 -5.972 -2.409 1.00 54.14 C ATOM 1174 CD GLU A 69 -15.183 -5.437 -2.806 1.00 13.30 C ATOM 1175 OE1 GLU A 69 -16.205 -6.016 -2.378 1.00 20.30 O ATOM 1176 OE2 GLU A 69 -15.247 -4.439 -3.551 1.00 43.50 O ATOM 0 H GLU A 69 -11.286 -4.442 -2.045 1.00 42.42 H new ATOM 0 HA GLU A 69 -13.842 -3.421 -1.608 1.00 61.01 H new ATOM 0 HB2 GLU A 69 -12.432 -5.972 -0.772 1.00 13.31 H new ATOM 0 HB3 GLU A 69 -14.095 -5.673 -0.306 1.00 13.31 H new ATOM 0 HG2 GLU A 69 -13.088 -5.702 -3.175 1.00 54.14 H new ATOM 0 HG3 GLU A 69 -13.852 -7.061 -2.374 1.00 54.14 H new ATOM 1183 N LEU A 70 -12.119 -3.824 1.207 1.00 73.42 N ATOM 1184 CA LEU A 70 -12.023 -3.383 2.605 1.00 41.12 C ATOM 1185 C LEU A 70 -12.057 -1.851 2.708 1.00 41.41 C ATOM 1186 O LEU A 70 -12.846 -1.282 3.466 1.00 12.41 O ATOM 1187 CB LEU A 70 -10.734 -3.921 3.246 1.00 15.10 C ATOM 1188 CG LEU A 70 -10.610 -5.455 3.291 1.00 43.55 C ATOM 1189 CD1 LEU A 70 -9.277 -5.873 3.905 1.00 32.32 C ATOM 1190 CD2 LEU A 70 -11.777 -6.068 4.062 1.00 35.43 C ATOM 0 H LEU A 70 -11.379 -4.464 0.918 1.00 73.42 H new ATOM 0 HA LEU A 70 -12.884 -3.781 3.141 1.00 41.12 H new ATOM 0 HB2 LEU A 70 -9.881 -3.520 2.698 1.00 15.10 H new ATOM 0 HB3 LEU A 70 -10.667 -3.538 4.264 1.00 15.10 H new ATOM 0 HG LEU A 70 -10.644 -5.829 2.268 1.00 43.55 H new ATOM 0 HD11 LEU A 70 -9.212 -6.961 3.927 1.00 32.32 H new ATOM 0 HD12 LEU A 70 -8.459 -5.472 3.306 1.00 32.32 H new ATOM 0 HD13 LEU A 70 -9.207 -5.485 4.921 1.00 32.32 H new ATOM 0 HD21 LEU A 70 -11.670 -7.153 4.082 1.00 35.43 H new ATOM 0 HD22 LEU A 70 -11.780 -5.685 5.082 1.00 35.43 H new ATOM 0 HD23 LEU A 70 -12.715 -5.805 3.573 1.00 35.43 H new ATOM 1202 N ALA A 71 -11.206 -1.190 1.927 1.00 4.44 N ATOM 1203 CA ALA A 71 -11.132 0.274 1.918 1.00 70.34 C ATOM 1204 C ALA A 71 -12.476 0.918 1.539 1.00 34.30 C ATOM 1205 O ALA A 71 -12.899 1.900 2.154 1.00 2.44 O ATOM 1206 CB ALA A 71 -10.037 0.726 0.966 1.00 63.41 C ATOM 0 H ALA A 71 -10.554 -1.645 1.288 1.00 4.44 H new ATOM 0 HA ALA A 71 -10.894 0.604 2.929 1.00 70.34 H new ATOM 0 HB1 ALA A 71 -9.985 1.815 0.962 1.00 63.41 H new ATOM 0 HB2 ALA A 71 -9.080 0.318 1.292 1.00 63.41 H new ATOM 0 HB3 ALA A 71 -10.259 0.370 -0.040 1.00 63.41 H new ATOM 1212 N GLN A 72 -13.142 0.358 0.528 1.00 61.11 N ATOM 1213 CA GLN A 72 -14.462 0.841 0.103 1.00 64.14 C ATOM 1214 C GLN A 72 -15.500 0.716 1.232 1.00 63.20 C ATOM 1215 O GLN A 72 -16.321 1.612 1.432 1.00 43.25 O ATOM 1216 CB GLN A 72 -14.936 0.075 -1.140 1.00 21.15 C ATOM 1217 CG GLN A 72 -14.155 0.415 -2.409 1.00 2.25 C ATOM 1218 CD GLN A 72 -14.528 -0.462 -3.597 1.00 62.11 C ATOM 1219 OE1 GLN A 72 -14.860 -1.712 -3.337 1.00 34.13 O flip ATOM 1220 NE2 GLN A 72 -14.495 -0.027 -4.745 1.00 23.41 N flip ATOM 0 H GLN A 72 -12.791 -0.431 -0.014 1.00 61.11 H new ATOM 0 HA GLN A 72 -14.364 1.898 -0.145 1.00 64.14 H new ATOM 0 HB2 GLN A 72 -14.853 -0.995 -0.949 1.00 21.15 H new ATOM 0 HB3 GLN A 72 -15.992 0.289 -1.306 1.00 21.15 H new ATOM 0 HG2 GLN A 72 -14.331 1.459 -2.667 1.00 2.25 H new ATOM 0 HG3 GLN A 72 -13.088 0.311 -2.210 1.00 2.25 H new ATOM 0 HE21 GLN A 72 -14.235 0.944 -4.915 1.00 23.41 H new ATOM 0 HE22 GLN A 72 -14.728 -0.637 -5.528 1.00 23.41 H new ATOM 1229 N LYS A 73 -15.454 -0.395 1.973 1.00 31.24 N ATOM 1230 CA LYS A 73 -16.346 -0.591 3.127 1.00 54.51 C ATOM 1231 C LYS A 73 -16.053 0.455 4.213 1.00 3.13 C ATOM 1232 O LYS A 73 -16.962 1.044 4.801 1.00 34.42 O ATOM 1233 CB LYS A 73 -16.175 -1.999 3.734 1.00 42.51 C ATOM 1234 CG LYS A 73 -16.242 -3.149 2.731 1.00 60.30 C ATOM 1235 CD LYS A 73 -17.515 -3.120 1.892 1.00 43.04 C ATOM 1236 CE LYS A 73 -17.606 -4.334 0.973 1.00 45.51 C ATOM 1237 NZ LYS A 73 -18.786 -4.268 0.071 1.00 10.10 N ATOM 0 H LYS A 73 -14.814 -1.170 1.799 1.00 31.24 H new ATOM 0 HA LYS A 73 -17.370 -0.480 2.770 1.00 54.51 H new ATOM 0 HB2 LYS A 73 -15.215 -2.042 4.249 1.00 42.51 H new ATOM 0 HB3 LYS A 73 -16.948 -2.149 4.488 1.00 42.51 H new ATOM 0 HG2 LYS A 73 -15.375 -3.102 2.072 1.00 60.30 H new ATOM 0 HG3 LYS A 73 -16.185 -4.097 3.266 1.00 60.30 H new ATOM 0 HD2 LYS A 73 -18.384 -3.093 2.549 1.00 43.04 H new ATOM 0 HD3 LYS A 73 -17.538 -2.208 1.295 1.00 43.04 H new ATOM 0 HE2 LYS A 73 -16.697 -4.404 0.375 1.00 45.51 H new ATOM 0 HE3 LYS A 73 -17.662 -5.241 1.576 1.00 45.51 H new ATOM 0 HZ1 LYS A 73 -18.807 -5.113 -0.535 1.00 10.10 H new ATOM 0 HZ2 LYS A 73 -19.656 -4.228 0.640 1.00 10.10 H new ATOM 0 HZ3 LYS A 73 -18.721 -3.417 -0.524 1.00 10.10 H new ATOM 1251 N MET A 74 -14.762 0.687 4.451 1.00 11.33 N ATOM 1252 CA MET A 74 -14.300 1.584 5.518 1.00 30.51 C ATOM 1253 C MET A 74 -14.255 3.060 5.068 1.00 13.25 C ATOM 1254 O MET A 74 -13.900 3.937 5.856 1.00 71.23 O ATOM 1255 CB MET A 74 -12.915 1.130 6.000 1.00 2.25 C ATOM 1256 CG MET A 74 -12.884 -0.327 6.448 1.00 63.20 C ATOM 1257 SD MET A 74 -11.228 -0.905 6.870 1.00 71.34 S ATOM 1258 CE MET A 74 -10.847 0.121 8.286 1.00 63.31 C ATOM 0 H MET A 74 -14.007 0.261 3.913 1.00 11.33 H new ATOM 0 HA MET A 74 -15.017 1.526 6.337 1.00 30.51 H new ATOM 0 HB2 MET A 74 -12.193 1.272 5.196 1.00 2.25 H new ATOM 0 HB3 MET A 74 -12.599 1.765 6.828 1.00 2.25 H new ATOM 0 HG2 MET A 74 -13.536 -0.448 7.313 1.00 63.20 H new ATOM 0 HG3 MET A 74 -13.289 -0.954 5.653 1.00 63.20 H new ATOM 0 HE1 MET A 74 -9.874 -0.161 8.688 1.00 63.31 H new ATOM 0 HE2 MET A 74 -10.824 1.167 7.982 1.00 63.31 H new ATOM 0 HE3 MET A 74 -11.610 -0.018 9.052 1.00 63.31 H new ATOM 1268 N GLU A 75 -14.604 3.317 3.800 1.00 3.55 N ATOM 1269 CA GLU A 75 -14.728 4.690 3.271 1.00 14.44 C ATOM 1270 C GLU A 75 -13.390 5.458 3.268 1.00 62.11 C ATOM 1271 O GLU A 75 -13.375 6.688 3.366 1.00 53.11 O ATOM 1272 CB GLU A 75 -15.772 5.473 4.088 1.00 42.23 C ATOM 1273 CG GLU A 75 -17.180 4.888 4.036 1.00 73.04 C ATOM 1274 CD GLU A 75 -18.150 5.627 4.948 1.00 44.13 C ATOM 1275 OE1 GLU A 75 -18.454 6.805 4.668 1.00 53.11 O ATOM 1276 OE2 GLU A 75 -18.602 5.036 5.953 1.00 54.52 O ATOM 0 H GLU A 75 -14.807 2.589 3.115 1.00 3.55 H new ATOM 0 HA GLU A 75 -15.048 4.600 2.233 1.00 14.44 H new ATOM 0 HB2 GLU A 75 -15.446 5.513 5.127 1.00 42.23 H new ATOM 0 HB3 GLU A 75 -15.805 6.500 3.724 1.00 42.23 H new ATOM 0 HG2 GLU A 75 -17.549 4.926 3.011 1.00 73.04 H new ATOM 0 HG3 GLU A 75 -17.145 3.837 4.323 1.00 73.04 H new ATOM 1283 N ILE A 76 -12.278 4.743 3.121 1.00 13.44 N ATOM 1284 CA ILE A 76 -10.943 5.361 3.176 1.00 74.03 C ATOM 1285 C ILE A 76 -10.369 5.628 1.770 1.00 3.44 C ATOM 1286 O ILE A 76 -10.395 4.754 0.902 1.00 54.34 O ATOM 1287 CB ILE A 76 -9.949 4.463 3.954 1.00 74.34 C ATOM 1288 CG1 ILE A 76 -10.533 4.065 5.319 1.00 74.04 C ATOM 1289 CG2 ILE A 76 -8.603 5.168 4.129 1.00 11.22 C ATOM 1290 CD1 ILE A 76 -9.683 3.069 6.071 1.00 72.21 C ATOM 0 H ILE A 76 -12.268 3.735 2.963 1.00 13.44 H new ATOM 0 HA ILE A 76 -11.066 6.314 3.691 1.00 74.03 H new ATOM 0 HB ILE A 76 -9.785 3.555 3.373 1.00 74.34 H new ATOM 0 HG12 ILE A 76 -10.654 4.961 5.928 1.00 74.04 H new ATOM 0 HG13 ILE A 76 -11.527 3.643 5.171 1.00 74.04 H new ATOM 0 HG21 ILE A 76 -7.921 4.519 4.678 1.00 11.22 H new ATOM 0 HG22 ILE A 76 -8.180 5.393 3.150 1.00 11.22 H new ATOM 0 HG23 ILE A 76 -8.747 6.095 4.684 1.00 11.22 H new ATOM 0 HD11 ILE A 76 -10.156 2.834 7.025 1.00 72.21 H new ATOM 0 HD12 ILE A 76 -9.583 2.158 5.481 1.00 72.21 H new ATOM 0 HD13 ILE A 76 -8.696 3.495 6.251 1.00 72.21 H new ATOM 1302 N ASP A 77 -9.851 6.841 1.558 1.00 41.32 N ATOM 1303 CA ASP A 77 -9.200 7.203 0.291 1.00 12.11 C ATOM 1304 C ASP A 77 -7.852 6.476 0.120 1.00 31.12 C ATOM 1305 O ASP A 77 -6.819 6.913 0.635 1.00 31.12 O ATOM 1306 CB ASP A 77 -8.985 8.720 0.217 1.00 5.25 C ATOM 1307 CG ASP A 77 -10.291 9.492 0.229 1.00 14.31 C ATOM 1308 OD1 ASP A 77 -10.785 9.827 1.328 1.00 75.45 O ATOM 1309 OD2 ASP A 77 -10.823 9.781 -0.862 1.00 42.42 O ATOM 0 H ASP A 77 -9.869 7.592 2.248 1.00 41.32 H new ATOM 0 HA ASP A 77 -9.859 6.891 -0.519 1.00 12.11 H new ATOM 0 HB2 ASP A 77 -8.371 9.038 1.059 1.00 5.25 H new ATOM 0 HB3 ASP A 77 -8.432 8.962 -0.691 1.00 5.25 H new ATOM 1314 N VAL A 78 -7.870 5.355 -0.597 1.00 33.33 N ATOM 1315 CA VAL A 78 -6.655 4.571 -0.846 1.00 2.43 C ATOM 1316 C VAL A 78 -6.343 4.470 -2.345 1.00 71.21 C ATOM 1317 O VAL A 78 -7.181 4.775 -3.196 1.00 40.12 O ATOM 1318 CB VAL A 78 -6.765 3.136 -0.265 1.00 73.23 C ATOM 1319 CG1 VAL A 78 -7.062 3.170 1.235 1.00 62.14 C ATOM 1320 CG2 VAL A 78 -7.823 2.328 -1.015 1.00 60.34 C ATOM 0 H VAL A 78 -8.713 4.965 -1.018 1.00 33.33 H new ATOM 0 HA VAL A 78 -5.846 5.101 -0.343 1.00 2.43 H new ATOM 0 HB VAL A 78 -5.803 2.643 -0.401 1.00 73.23 H new ATOM 0 HG11 VAL A 78 -7.134 2.151 1.615 1.00 62.14 H new ATOM 0 HG12 VAL A 78 -6.259 3.695 1.753 1.00 62.14 H new ATOM 0 HG13 VAL A 78 -8.005 3.689 1.408 1.00 62.14 H new ATOM 0 HG21 VAL A 78 -7.883 1.326 -0.591 1.00 60.34 H new ATOM 0 HG22 VAL A 78 -8.791 2.820 -0.921 1.00 60.34 H new ATOM 0 HG23 VAL A 78 -7.551 2.261 -2.068 1.00 60.34 H new ATOM 1330 N ARG A 79 -5.129 4.039 -2.659 1.00 40.42 N ATOM 1331 CA ARG A 79 -4.706 3.832 -4.042 1.00 24.51 C ATOM 1332 C ARG A 79 -4.110 2.426 -4.195 1.00 4.52 C ATOM 1333 O ARG A 79 -2.912 2.218 -3.990 1.00 31.31 O ATOM 1334 CB ARG A 79 -3.678 4.898 -4.444 1.00 54.44 C ATOM 1335 CG ARG A 79 -3.514 5.060 -5.951 1.00 11.54 C ATOM 1336 CD ARG A 79 -2.450 6.099 -6.292 1.00 22.22 C ATOM 1337 NE ARG A 79 -2.698 6.732 -7.584 1.00 4.45 N ATOM 1338 CZ ARG A 79 -1.988 7.715 -8.055 1.00 72.45 C ATOM 1339 NH1 ARG A 79 -0.888 8.064 -7.476 1.00 22.44 N ATOM 1340 NH2 ARG A 79 -2.351 8.317 -9.135 1.00 13.00 N ATOM 0 H ARG A 79 -4.411 3.823 -1.968 1.00 40.42 H new ATOM 0 HA ARG A 79 -5.570 3.922 -4.700 1.00 24.51 H new ATOM 0 HB2 ARG A 79 -3.975 5.855 -4.016 1.00 54.44 H new ATOM 0 HB3 ARG A 79 -2.712 4.640 -4.009 1.00 54.44 H new ATOM 0 HG2 ARG A 79 -3.242 4.101 -6.393 1.00 11.54 H new ATOM 0 HG3 ARG A 79 -4.466 5.356 -6.391 1.00 11.54 H new ATOM 0 HD2 ARG A 79 -2.425 6.862 -5.514 1.00 22.22 H new ATOM 0 HD3 ARG A 79 -1.469 5.623 -6.304 1.00 22.22 H new ATOM 0 HE ARG A 79 -3.472 6.384 -8.150 1.00 4.45 H new ATOM 0 HH11 ARG A 79 -0.570 7.568 -6.643 1.00 22.44 H new ATOM 0 HH12 ARG A 79 -0.337 8.836 -7.851 1.00 22.44 H new ATOM 0 HH21 ARG A 79 -3.197 8.023 -9.623 1.00 13.00 H new ATOM 0 HH22 ARG A 79 -1.792 9.087 -9.502 1.00 13.00 H new ATOM 1354 N THR A 80 -4.958 1.454 -4.511 1.00 14.01 N ATOM 1355 CA THR A 80 -4.533 0.052 -4.589 1.00 51.30 C ATOM 1356 C THR A 80 -4.036 -0.312 -5.995 1.00 33.12 C ATOM 1357 O THR A 80 -4.812 -0.356 -6.951 1.00 14.50 O ATOM 1358 CB THR A 80 -5.686 -0.907 -4.193 1.00 71.31 C ATOM 1359 OG1 THR A 80 -6.330 -0.437 -2.997 1.00 45.12 O ATOM 1360 CG2 THR A 80 -5.165 -2.319 -3.953 1.00 3.14 C ATOM 0 H THR A 80 -5.945 1.606 -4.718 1.00 14.01 H new ATOM 0 HA THR A 80 -3.710 -0.064 -3.884 1.00 51.30 H new ATOM 0 HB THR A 80 -6.400 -0.928 -5.016 1.00 71.31 H new ATOM 0 HG1 THR A 80 -7.058 -1.048 -2.756 1.00 45.12 H new ATOM 0 HG21 THR A 80 -5.994 -2.971 -3.677 1.00 3.14 H new ATOM 0 HG22 THR A 80 -4.697 -2.694 -4.863 1.00 3.14 H new ATOM 0 HG23 THR A 80 -4.431 -2.304 -3.147 1.00 3.14 H new ATOM 1368 N ARG A 81 -2.735 -0.567 -6.114 1.00 24.32 N ATOM 1369 CA ARG A 81 -2.115 -0.928 -7.393 1.00 12.43 C ATOM 1370 C ARG A 81 -1.555 -2.359 -7.375 1.00 72.43 C ATOM 1371 O ARG A 81 -1.188 -2.889 -6.326 1.00 4.20 O ATOM 1372 CB ARG A 81 -0.997 0.067 -7.742 1.00 44.12 C ATOM 1373 CG ARG A 81 -1.502 1.455 -8.134 1.00 3.34 C ATOM 1374 CD ARG A 81 -2.435 1.381 -9.338 1.00 24.41 C ATOM 1375 NE ARG A 81 -2.777 2.698 -9.872 1.00 71.31 N ATOM 1376 CZ ARG A 81 -3.772 2.916 -10.688 1.00 45.45 C ATOM 1377 NH1 ARG A 81 -4.596 1.963 -10.997 1.00 33.00 N ATOM 1378 NH2 ARG A 81 -3.955 4.100 -11.169 1.00 15.32 N ATOM 0 H ARG A 81 -2.081 -0.530 -5.332 1.00 24.32 H new ATOM 0 HA ARG A 81 -2.892 -0.884 -8.156 1.00 12.43 H new ATOM 0 HB2 ARG A 81 -0.329 0.163 -6.886 1.00 44.12 H new ATOM 0 HB3 ARG A 81 -0.406 -0.339 -8.563 1.00 44.12 H new ATOM 0 HG2 ARG A 81 -2.026 1.906 -7.291 1.00 3.34 H new ATOM 0 HG3 ARG A 81 -0.655 2.101 -8.366 1.00 3.34 H new ATOM 0 HD2 ARG A 81 -1.963 0.788 -10.121 1.00 24.41 H new ATOM 0 HD3 ARG A 81 -3.349 0.861 -9.052 1.00 24.41 H new ATOM 0 HE ARG A 81 -2.204 3.494 -9.590 1.00 71.31 H new ATOM 0 HH11 ARG A 81 -4.470 1.031 -10.601 1.00 33.00 H new ATOM 0 HH12 ARG A 81 -5.370 2.145 -11.636 1.00 33.00 H new ATOM 0 HH21 ARG A 81 -3.324 4.859 -10.911 1.00 15.32 H new ATOM 0 HH22 ARG A 81 -4.731 4.277 -11.807 1.00 15.32 H new ATOM 1392 N LYS A 82 -1.493 -2.974 -8.553 1.00 2.33 N ATOM 1393 CA LYS A 82 -0.980 -4.340 -8.701 1.00 32.21 C ATOM 1394 C LYS A 82 0.430 -4.336 -9.317 1.00 74.33 C ATOM 1395 O LYS A 82 0.712 -3.573 -10.242 1.00 33.01 O ATOM 1396 CB LYS A 82 -1.944 -5.152 -9.576 1.00 4.15 C ATOM 1397 CG LYS A 82 -1.569 -6.625 -9.733 1.00 62.42 C ATOM 1398 CD LYS A 82 -2.561 -7.368 -10.628 1.00 61.52 C ATOM 1399 CE LYS A 82 -2.594 -6.793 -12.039 1.00 71.22 C ATOM 1400 NZ LYS A 82 -3.615 -7.455 -12.891 1.00 63.23 N ATOM 0 H LYS A 82 -1.794 -2.546 -9.429 1.00 2.33 H new ATOM 0 HA LYS A 82 -0.910 -4.799 -7.715 1.00 32.21 H new ATOM 0 HB2 LYS A 82 -2.944 -5.088 -9.148 1.00 4.15 H new ATOM 0 HB3 LYS A 82 -1.991 -4.695 -10.564 1.00 4.15 H new ATOM 0 HG2 LYS A 82 -0.568 -6.703 -10.157 1.00 62.42 H new ATOM 0 HG3 LYS A 82 -1.538 -7.099 -8.752 1.00 62.42 H new ATOM 0 HD2 LYS A 82 -2.291 -8.423 -10.672 1.00 61.52 H new ATOM 0 HD3 LYS A 82 -3.558 -7.312 -10.190 1.00 61.52 H new ATOM 0 HE2 LYS A 82 -2.802 -5.724 -11.989 1.00 71.22 H new ATOM 0 HE3 LYS A 82 -1.612 -6.905 -12.498 1.00 71.22 H new ATOM 0 HZ1 LYS A 82 -3.389 -7.293 -13.893 1.00 63.23 H new ATOM 0 HZ2 LYS A 82 -3.619 -8.477 -12.698 1.00 63.23 H new ATOM 0 HZ3 LYS A 82 -4.553 -7.059 -12.679 1.00 63.23 H new ATOM 1414 N VAL A 83 1.309 -5.195 -8.801 1.00 24.31 N ATOM 1415 CA VAL A 83 2.702 -5.259 -9.258 1.00 22.14 C ATOM 1416 C VAL A 83 3.120 -6.688 -9.642 1.00 23.50 C ATOM 1417 O VAL A 83 2.592 -7.671 -9.122 1.00 74.50 O ATOM 1418 CB VAL A 83 3.677 -4.722 -8.174 1.00 71.44 C ATOM 1419 CG1 VAL A 83 3.402 -3.251 -7.874 1.00 61.54 C ATOM 1420 CG2 VAL A 83 3.593 -5.559 -6.896 1.00 43.14 C ATOM 0 H VAL A 83 1.082 -5.861 -8.062 1.00 24.31 H new ATOM 0 HA VAL A 83 2.760 -4.628 -10.145 1.00 22.14 H new ATOM 0 HB VAL A 83 4.690 -4.806 -8.567 1.00 71.44 H new ATOM 0 HG11 VAL A 83 4.098 -2.899 -7.112 1.00 61.54 H new ATOM 0 HG12 VAL A 83 3.532 -2.664 -8.783 1.00 61.54 H new ATOM 0 HG13 VAL A 83 2.380 -3.138 -7.512 1.00 61.54 H new ATOM 0 HG21 VAL A 83 4.286 -5.161 -6.154 1.00 43.14 H new ATOM 0 HG22 VAL A 83 2.578 -5.520 -6.502 1.00 43.14 H new ATOM 0 HG23 VAL A 83 3.856 -6.593 -7.120 1.00 43.14 H new ATOM 1430 N THR A 84 4.075 -6.790 -10.560 1.00 30.12 N ATOM 1431 CA THR A 84 4.608 -8.086 -11.003 1.00 1.21 C ATOM 1432 C THR A 84 6.070 -8.262 -10.569 1.00 73.43 C ATOM 1433 O THR A 84 6.424 -9.226 -9.888 1.00 23.34 O ATOM 1434 CB THR A 84 4.528 -8.220 -12.541 1.00 72.21 C ATOM 1435 OG1 THR A 84 5.211 -7.116 -13.158 1.00 44.03 O ATOM 1436 CG2 THR A 84 3.079 -8.260 -13.017 1.00 55.12 C ATOM 0 H THR A 84 4.503 -5.986 -11.019 1.00 30.12 H new ATOM 0 HA THR A 84 3.997 -8.859 -10.537 1.00 1.21 H new ATOM 0 HB THR A 84 5.006 -9.157 -12.828 1.00 72.21 H new ATOM 0 HG1 THR A 84 5.161 -7.204 -14.133 1.00 44.03 H new ATOM 0 HG21 THR A 84 3.055 -8.355 -14.103 1.00 55.12 H new ATOM 0 HG22 THR A 84 2.572 -9.113 -12.567 1.00 55.12 H new ATOM 0 HG23 THR A 84 2.574 -7.341 -12.722 1.00 55.12 H new ATOM 1444 N SER A 85 6.916 -7.323 -10.980 1.00 12.13 N ATOM 1445 CA SER A 85 8.342 -7.331 -10.617 1.00 30.11 C ATOM 1446 C SER A 85 8.643 -6.261 -9.554 1.00 73.34 C ATOM 1447 O SER A 85 7.920 -5.270 -9.446 1.00 10.21 O ATOM 1448 CB SER A 85 9.204 -7.066 -11.862 1.00 41.41 C ATOM 1449 OG SER A 85 9.024 -8.072 -12.851 1.00 44.41 O ATOM 0 H SER A 85 6.642 -6.537 -11.570 1.00 12.13 H new ATOM 0 HA SER A 85 8.581 -8.312 -10.207 1.00 30.11 H new ATOM 0 HB2 SER A 85 8.948 -6.093 -12.282 1.00 41.41 H new ATOM 0 HB3 SER A 85 10.255 -7.022 -11.575 1.00 41.41 H new ATOM 0 HG SER A 85 9.586 -7.871 -13.629 1.00 44.41 H new ATOM 1455 N PRO A 86 9.718 -6.439 -8.751 1.00 4.05 N ATOM 1456 CA PRO A 86 10.139 -5.435 -7.751 1.00 62.21 C ATOM 1457 C PRO A 86 10.270 -4.018 -8.342 1.00 62.00 C ATOM 1458 O PRO A 86 9.965 -3.025 -7.674 1.00 0.43 O ATOM 1459 CB PRO A 86 11.507 -5.954 -7.254 1.00 51.53 C ATOM 1460 CG PRO A 86 11.880 -7.075 -8.174 1.00 23.03 C ATOM 1461 CD PRO A 86 10.591 -7.625 -8.724 1.00 21.32 C ATOM 0 HA PRO A 86 9.401 -5.332 -6.956 1.00 62.21 H new ATOM 0 HB2 PRO A 86 12.257 -5.163 -7.278 1.00 51.53 H new ATOM 0 HB3 PRO A 86 11.442 -6.300 -6.223 1.00 51.53 H new ATOM 0 HG2 PRO A 86 12.524 -6.719 -8.978 1.00 23.03 H new ATOM 0 HG3 PRO A 86 12.434 -7.847 -7.640 1.00 23.03 H new ATOM 0 HD2 PRO A 86 10.724 -8.052 -9.718 1.00 21.32 H new ATOM 0 HD3 PRO A 86 10.184 -8.413 -8.090 1.00 21.32 H new ATOM 1469 N ASP A 87 10.712 -3.939 -9.598 1.00 4.40 N ATOM 1470 CA ASP A 87 10.840 -2.661 -10.306 1.00 75.43 C ATOM 1471 C ASP A 87 9.492 -1.911 -10.376 1.00 45.02 C ATOM 1472 O ASP A 87 9.445 -0.681 -10.266 1.00 31.44 O ATOM 1473 CB ASP A 87 11.383 -2.909 -11.719 1.00 3.15 C ATOM 1474 CG ASP A 87 11.878 -1.639 -12.386 1.00 62.14 C ATOM 1475 OD1 ASP A 87 13.062 -1.293 -12.204 1.00 34.10 O ATOM 1476 OD2 ASP A 87 11.087 -0.980 -13.092 1.00 62.14 O ATOM 0 H ASP A 87 10.990 -4.750 -10.150 1.00 4.40 H new ATOM 0 HA ASP A 87 11.536 -2.032 -9.751 1.00 75.43 H new ATOM 0 HB2 ASP A 87 12.199 -3.630 -11.669 1.00 3.15 H new ATOM 0 HB3 ASP A 87 10.600 -3.355 -12.332 1.00 3.15 H new ATOM 1481 N GLU A 88 8.398 -2.661 -10.540 1.00 71.22 N ATOM 1482 CA GLU A 88 7.052 -2.074 -10.617 1.00 0.13 C ATOM 1483 C GLU A 88 6.710 -1.304 -9.332 1.00 32.12 C ATOM 1484 O GLU A 88 6.353 -0.125 -9.375 1.00 62.14 O ATOM 1485 CB GLU A 88 5.998 -3.169 -10.855 1.00 4.31 C ATOM 1486 CG GLU A 88 6.286 -4.072 -12.050 1.00 61.31 C ATOM 1487 CD GLU A 88 6.395 -3.312 -13.362 1.00 42.03 C ATOM 1488 OE1 GLU A 88 5.347 -2.929 -13.922 1.00 50.10 O ATOM 1489 OE2 GLU A 88 7.528 -3.099 -13.841 1.00 62.45 O ATOM 0 H GLU A 88 8.416 -3.678 -10.622 1.00 71.22 H new ATOM 0 HA GLU A 88 7.043 -1.377 -11.455 1.00 0.13 H new ATOM 0 HB2 GLU A 88 5.923 -3.785 -9.959 1.00 4.31 H new ATOM 0 HB3 GLU A 88 5.026 -2.696 -10.998 1.00 4.31 H new ATOM 0 HG2 GLU A 88 7.215 -4.613 -11.873 1.00 61.31 H new ATOM 0 HG3 GLU A 88 5.495 -4.817 -12.134 1.00 61.31 H new ATOM 1496 N ALA A 89 6.833 -1.981 -8.188 1.00 34.42 N ATOM 1497 CA ALA A 89 6.548 -1.366 -6.885 1.00 12.12 C ATOM 1498 C ALA A 89 7.345 -0.068 -6.685 1.00 74.11 C ATOM 1499 O ALA A 89 6.808 0.941 -6.224 1.00 55.43 O ATOM 1500 CB ALA A 89 6.847 -2.359 -5.768 1.00 13.51 C ATOM 0 H ALA A 89 7.128 -2.956 -8.135 1.00 34.42 H new ATOM 0 HA ALA A 89 5.490 -1.104 -6.857 1.00 12.12 H new ATOM 0 HB1 ALA A 89 6.634 -1.897 -4.804 1.00 13.51 H new ATOM 0 HB2 ALA A 89 6.224 -3.245 -5.892 1.00 13.51 H new ATOM 0 HB3 ALA A 89 7.898 -2.646 -5.808 1.00 13.51 H new ATOM 1506 N LYS A 90 8.626 -0.102 -7.052 1.00 31.15 N ATOM 1507 CA LYS A 90 9.492 1.080 -6.984 1.00 14.34 C ATOM 1508 C LYS A 90 8.913 2.249 -7.805 1.00 64.10 C ATOM 1509 O LYS A 90 8.940 3.406 -7.374 1.00 13.11 O ATOM 1510 CB LYS A 90 10.898 0.723 -7.499 1.00 22.24 C ATOM 1511 CG LYS A 90 11.579 -0.398 -6.711 1.00 53.34 C ATOM 1512 CD LYS A 90 12.833 -0.919 -7.420 1.00 73.52 C ATOM 1513 CE LYS A 90 13.935 0.132 -7.500 1.00 1.32 C ATOM 1514 NZ LYS A 90 14.548 0.414 -6.175 1.00 64.31 N ATOM 0 H LYS A 90 9.091 -0.940 -7.402 1.00 31.15 H new ATOM 0 HA LYS A 90 9.552 1.398 -5.943 1.00 14.34 H new ATOM 0 HB2 LYS A 90 10.827 0.427 -8.546 1.00 22.24 H new ATOM 0 HB3 LYS A 90 11.525 1.614 -7.461 1.00 22.24 H new ATOM 0 HG2 LYS A 90 11.848 -0.032 -5.720 1.00 53.34 H new ATOM 0 HG3 LYS A 90 10.876 -1.219 -6.568 1.00 53.34 H new ATOM 0 HD2 LYS A 90 13.208 -1.795 -6.891 1.00 73.52 H new ATOM 0 HD3 LYS A 90 12.570 -1.243 -8.427 1.00 73.52 H new ATOM 0 HE2 LYS A 90 14.708 -0.208 -8.190 1.00 1.32 H new ATOM 0 HE3 LYS A 90 13.524 1.054 -7.911 1.00 1.32 H new ATOM 0 HZ1 LYS A 90 15.279 1.146 -6.279 1.00 64.31 H new ATOM 0 HZ2 LYS A 90 13.815 0.748 -5.517 1.00 64.31 H new ATOM 0 HZ3 LYS A 90 14.980 -0.455 -5.800 1.00 64.31 H new ATOM 1528 N ARG A 91 8.379 1.928 -8.985 1.00 63.41 N ATOM 1529 CA ARG A 91 7.801 2.932 -9.888 1.00 35.43 C ATOM 1530 C ARG A 91 6.496 3.522 -9.323 1.00 53.44 C ATOM 1531 O ARG A 91 6.239 4.720 -9.446 1.00 51.12 O ATOM 1532 CB ARG A 91 7.538 2.303 -11.265 1.00 50.31 C ATOM 1533 CG ARG A 91 7.044 3.288 -12.322 1.00 72.33 C ATOM 1534 CD ARG A 91 6.729 2.583 -13.635 1.00 75.12 C ATOM 1535 NE ARG A 91 6.308 3.513 -14.682 1.00 33.23 N ATOM 1536 CZ ARG A 91 5.362 3.265 -15.549 1.00 62.33 C ATOM 1537 NH1 ARG A 91 4.646 2.189 -15.458 1.00 61.24 N ATOM 1538 NH2 ARG A 91 5.108 4.112 -16.491 1.00 53.04 N ATOM 0 H ARG A 91 8.334 0.974 -9.342 1.00 63.41 H new ATOM 0 HA ARG A 91 8.519 3.747 -9.986 1.00 35.43 H new ATOM 0 HB2 ARG A 91 8.457 1.838 -11.620 1.00 50.31 H new ATOM 0 HB3 ARG A 91 6.801 1.508 -11.153 1.00 50.31 H new ATOM 0 HG2 ARG A 91 6.152 3.798 -11.958 1.00 72.33 H new ATOM 0 HG3 ARG A 91 7.802 4.053 -12.491 1.00 72.33 H new ATOM 0 HD2 ARG A 91 7.610 2.037 -13.971 1.00 75.12 H new ATOM 0 HD3 ARG A 91 5.942 1.847 -13.469 1.00 75.12 H new ATOM 0 HE ARG A 91 6.783 4.414 -14.739 1.00 33.23 H new ATOM 0 HH11 ARG A 91 4.818 1.524 -14.704 1.00 61.24 H new ATOM 0 HH12 ARG A 91 3.911 2.007 -16.141 1.00 61.24 H new ATOM 0 HH21 ARG A 91 5.646 4.976 -16.559 1.00 53.04 H new ATOM 0 HH22 ARG A 91 4.369 3.917 -17.167 1.00 53.04 H new ATOM 1552 N TRP A 92 5.673 2.674 -8.707 1.00 44.42 N ATOM 1553 CA TRP A 92 4.405 3.122 -8.119 1.00 73.41 C ATOM 1554 C TRP A 92 4.629 4.047 -6.913 1.00 13.24 C ATOM 1555 O TRP A 92 3.984 5.086 -6.791 1.00 11.41 O ATOM 1556 CB TRP A 92 3.543 1.916 -7.724 1.00 21.33 C ATOM 1557 CG TRP A 92 3.004 1.164 -8.908 1.00 24.25 C ATOM 1558 CD1 TRP A 92 3.348 -0.090 -9.323 1.00 30.21 C ATOM 1559 CD2 TRP A 92 2.027 1.638 -9.841 1.00 23.32 C ATOM 1560 NE1 TRP A 92 2.641 -0.425 -10.452 1.00 1.04 N ATOM 1561 CE2 TRP A 92 1.823 0.621 -10.789 1.00 62.12 C ATOM 1562 CE3 TRP A 92 1.306 2.829 -9.963 1.00 23.40 C ATOM 1563 CZ2 TRP A 92 0.922 0.756 -11.843 1.00 70.22 C ATOM 1564 CZ3 TRP A 92 0.413 2.962 -11.006 1.00 0.44 C ATOM 1565 CH2 TRP A 92 0.228 1.932 -11.936 1.00 52.45 C ATOM 0 H TRP A 92 5.858 1.677 -8.601 1.00 44.42 H new ATOM 0 HA TRP A 92 3.876 3.700 -8.877 1.00 73.41 H new ATOM 0 HB2 TRP A 92 4.136 1.238 -7.110 1.00 21.33 H new ATOM 0 HB3 TRP A 92 2.711 2.258 -7.109 1.00 21.33 H new ATOM 0 HD1 TRP A 92 4.071 -0.726 -8.835 1.00 30.21 H new ATOM 0 HE1 TRP A 92 2.713 -1.308 -10.957 1.00 1.04 H new ATOM 0 HE3 TRP A 92 1.445 3.631 -9.253 1.00 23.40 H new ATOM 0 HZ2 TRP A 92 0.777 -0.038 -12.560 1.00 70.22 H new ATOM 0 HZ3 TRP A 92 -0.153 3.876 -11.107 1.00 0.44 H new ATOM 0 HH2 TRP A 92 -0.477 2.068 -12.743 1.00 52.45 H new ATOM 1576 N ILE A 93 5.546 3.674 -6.024 1.00 51.12 N ATOM 1577 CA ILE A 93 5.905 4.545 -4.896 1.00 24.03 C ATOM 1578 C ILE A 93 6.450 5.892 -5.405 1.00 61.42 C ATOM 1579 O ILE A 93 6.254 6.938 -4.781 1.00 31.22 O ATOM 1580 CB ILE A 93 6.948 3.872 -3.966 1.00 74.24 C ATOM 1581 CG1 ILE A 93 6.387 2.550 -3.411 1.00 1.31 C ATOM 1582 CG2 ILE A 93 7.353 4.812 -2.825 1.00 21.13 C ATOM 1583 CD1 ILE A 93 7.351 1.804 -2.511 1.00 24.52 C ATOM 0 H ILE A 93 6.051 2.788 -6.056 1.00 51.12 H new ATOM 0 HA ILE A 93 4.998 4.721 -4.318 1.00 24.03 H new ATOM 0 HB ILE A 93 7.842 3.654 -4.551 1.00 74.24 H new ATOM 0 HG12 ILE A 93 5.474 2.760 -2.854 1.00 1.31 H new ATOM 0 HG13 ILE A 93 6.111 1.905 -4.245 1.00 1.31 H new ATOM 0 HG21 ILE A 93 8.085 4.316 -2.188 1.00 21.13 H new ATOM 0 HG22 ILE A 93 7.789 5.721 -3.240 1.00 21.13 H new ATOM 0 HG23 ILE A 93 6.473 5.069 -2.235 1.00 21.13 H new ATOM 0 HD11 ILE A 93 6.883 0.884 -2.160 1.00 24.52 H new ATOM 0 HD12 ILE A 93 8.256 1.561 -3.069 1.00 24.52 H new ATOM 0 HD13 ILE A 93 7.608 2.429 -1.656 1.00 24.52 H new ATOM 1595 N LYS A 94 7.122 5.849 -6.557 1.00 71.12 N ATOM 1596 CA LYS A 94 7.646 7.057 -7.208 1.00 1.54 C ATOM 1597 C LYS A 94 6.514 8.024 -7.612 1.00 53.42 C ATOM 1598 O LYS A 94 6.483 9.173 -7.165 1.00 24.53 O ATOM 1599 CB LYS A 94 8.460 6.653 -8.451 1.00 74.23 C ATOM 1600 CG LYS A 94 9.054 7.821 -9.235 1.00 43.54 C ATOM 1601 CD LYS A 94 10.168 8.526 -8.466 1.00 74.14 C ATOM 1602 CE LYS A 94 10.857 9.582 -9.324 1.00 21.44 C ATOM 1603 NZ LYS A 94 12.061 10.146 -8.659 1.00 0.04 N ATOM 0 H LYS A 94 7.318 4.986 -7.063 1.00 71.12 H new ATOM 0 HA LYS A 94 8.285 7.578 -6.496 1.00 1.54 H new ATOM 0 HB2 LYS A 94 9.270 5.994 -8.139 1.00 74.23 H new ATOM 0 HB3 LYS A 94 7.818 6.076 -9.117 1.00 74.23 H new ATOM 0 HG2 LYS A 94 9.445 7.457 -10.185 1.00 43.54 H new ATOM 0 HG3 LYS A 94 8.266 8.538 -9.468 1.00 43.54 H new ATOM 0 HD2 LYS A 94 9.755 8.994 -7.573 1.00 74.14 H new ATOM 0 HD3 LYS A 94 10.901 7.792 -8.131 1.00 74.14 H new ATOM 0 HE2 LYS A 94 11.144 9.142 -10.279 1.00 21.44 H new ATOM 0 HE3 LYS A 94 10.154 10.386 -9.542 1.00 21.44 H new ATOM 0 HZ1 LYS A 94 12.497 10.859 -9.278 1.00 0.04 H new ATOM 0 HZ2 LYS A 94 11.785 10.590 -7.760 1.00 0.04 H new ATOM 0 HZ3 LYS A 94 12.744 9.384 -8.474 1.00 0.04 H new ATOM 1617 N GLU A 95 5.569 7.544 -8.427 1.00 10.14 N ATOM 1618 CA GLU A 95 4.492 8.399 -8.952 1.00 13.41 C ATOM 1619 C GLU A 95 3.569 8.914 -7.834 1.00 25.01 C ATOM 1620 O GLU A 95 3.083 10.046 -7.890 1.00 60.02 O ATOM 1621 CB GLU A 95 3.690 7.649 -10.040 1.00 2.54 C ATOM 1622 CG GLU A 95 3.003 6.354 -9.579 1.00 1.23 C ATOM 1623 CD GLU A 95 1.583 6.566 -9.059 1.00 20.24 C ATOM 1624 OE1 GLU A 95 0.720 7.006 -9.851 1.00 64.12 O ATOM 1625 OE2 GLU A 95 1.323 6.294 -7.870 1.00 13.34 O ATOM 0 H GLU A 95 5.525 6.574 -8.738 1.00 10.14 H new ATOM 0 HA GLU A 95 4.955 9.275 -9.406 1.00 13.41 H new ATOM 0 HB2 GLU A 95 2.930 8.322 -10.436 1.00 2.54 H new ATOM 0 HB3 GLU A 95 4.363 7.410 -10.863 1.00 2.54 H new ATOM 0 HG2 GLU A 95 2.975 5.651 -10.412 1.00 1.23 H new ATOM 0 HG3 GLU A 95 3.603 5.894 -8.794 1.00 1.23 H new ATOM 1632 N PHE A 96 3.344 8.083 -6.822 1.00 51.24 N ATOM 1633 CA PHE A 96 2.528 8.456 -5.664 1.00 24.11 C ATOM 1634 C PHE A 96 3.205 9.553 -4.824 1.00 53.31 C ATOM 1635 O PHE A 96 2.592 10.574 -4.500 1.00 1.22 O ATOM 1636 CB PHE A 96 2.270 7.209 -4.808 1.00 2.02 C ATOM 1637 CG PHE A 96 1.440 7.460 -3.575 1.00 11.12 C ATOM 1638 CD1 PHE A 96 0.059 7.569 -3.662 1.00 74.40 C ATOM 1639 CD2 PHE A 96 2.041 7.576 -2.329 1.00 22.22 C ATOM 1640 CE1 PHE A 96 -0.703 7.792 -2.532 1.00 35.21 C ATOM 1641 CE2 PHE A 96 1.284 7.797 -1.197 1.00 20.40 C ATOM 1642 CZ PHE A 96 -0.089 7.904 -1.297 1.00 10.45 C ATOM 0 H PHE A 96 3.719 7.135 -6.778 1.00 51.24 H new ATOM 0 HA PHE A 96 1.581 8.861 -6.022 1.00 24.11 H new ATOM 0 HB2 PHE A 96 1.770 6.460 -5.421 1.00 2.02 H new ATOM 0 HB3 PHE A 96 3.228 6.786 -4.506 1.00 2.02 H new ATOM 0 HD1 PHE A 96 -0.425 7.478 -4.623 1.00 74.40 H new ATOM 0 HD2 PHE A 96 3.114 7.492 -2.245 1.00 22.22 H new ATOM 0 HE1 PHE A 96 -1.777 7.879 -2.612 1.00 35.21 H new ATOM 0 HE2 PHE A 96 1.765 7.886 -0.234 1.00 20.40 H new ATOM 0 HZ PHE A 96 -0.683 8.075 -0.412 1.00 10.45 H new ATOM 1652 N SER A 97 4.473 9.337 -4.480 1.00 21.53 N ATOM 1653 CA SER A 97 5.236 10.294 -3.664 1.00 71.23 C ATOM 1654 C SER A 97 5.284 11.686 -4.307 1.00 12.21 C ATOM 1655 O SER A 97 5.173 12.703 -3.623 1.00 35.03 O ATOM 1656 CB SER A 97 6.669 9.791 -3.442 1.00 30.13 C ATOM 1657 OG SER A 97 7.424 10.712 -2.669 1.00 40.12 O ATOM 0 H SER A 97 5.000 8.507 -4.752 1.00 21.53 H new ATOM 0 HA SER A 97 4.721 10.376 -2.707 1.00 71.23 H new ATOM 0 HB2 SER A 97 6.644 8.825 -2.938 1.00 30.13 H new ATOM 0 HB3 SER A 97 7.156 9.636 -4.405 1.00 30.13 H new ATOM 0 HG SER A 97 8.380 10.545 -2.803 1.00 40.12 H new ATOM 1663 N GLU A 98 5.446 11.724 -5.629 1.00 15.53 N ATOM 1664 CA GLU A 98 5.553 12.991 -6.364 1.00 30.34 C ATOM 1665 C GLU A 98 4.267 13.836 -6.267 1.00 30.32 C ATOM 1666 O GLU A 98 4.311 15.056 -6.443 1.00 54.24 O ATOM 1667 CB GLU A 98 5.900 12.718 -7.836 1.00 44.53 C ATOM 1668 CG GLU A 98 7.240 12.012 -8.033 1.00 54.15 C ATOM 1669 CD GLU A 98 7.561 11.752 -9.498 1.00 54.51 C ATOM 1670 OE1 GLU A 98 6.919 10.870 -10.106 1.00 44.34 O ATOM 1671 OE2 GLU A 98 8.443 12.444 -10.053 1.00 1.44 O ATOM 0 H GLU A 98 5.506 10.893 -6.217 1.00 15.53 H new ATOM 0 HA GLU A 98 6.353 13.569 -5.901 1.00 30.34 H new ATOM 0 HB2 GLU A 98 5.111 12.110 -8.279 1.00 44.53 H new ATOM 0 HB3 GLU A 98 5.915 13.664 -8.377 1.00 44.53 H new ATOM 0 HG2 GLU A 98 8.033 12.618 -7.594 1.00 54.15 H new ATOM 0 HG3 GLU A 98 7.229 11.064 -7.495 1.00 54.15 H new ATOM 1678 N GLU A 99 3.131 13.195 -5.981 1.00 22.23 N ATOM 1679 CA GLU A 99 1.846 13.906 -5.880 1.00 44.00 C ATOM 1680 C GLU A 99 1.749 14.745 -4.597 1.00 22.13 C ATOM 1681 O GLU A 99 1.264 15.880 -4.617 1.00 64.12 O ATOM 1682 CB GLU A 99 0.675 12.918 -5.903 1.00 74.14 C ATOM 1683 CG GLU A 99 0.682 11.967 -7.089 1.00 34.05 C ATOM 1684 CD GLU A 99 -0.570 11.108 -7.166 1.00 15.31 C ATOM 1685 OE1 GLU A 99 -1.184 10.834 -6.110 1.00 61.11 O ATOM 1686 OE2 GLU A 99 -0.955 10.717 -8.289 1.00 60.20 O ATOM 0 H GLU A 99 3.071 12.190 -5.815 1.00 22.23 H new ATOM 0 HA GLU A 99 1.794 14.572 -6.741 1.00 44.00 H new ATOM 0 HB2 GLU A 99 0.690 12.333 -4.983 1.00 74.14 H new ATOM 0 HB3 GLU A 99 -0.259 13.480 -5.908 1.00 74.14 H new ATOM 0 HG2 GLU A 99 0.779 12.543 -8.009 1.00 34.05 H new ATOM 0 HG3 GLU A 99 1.557 11.320 -7.024 1.00 34.05 H new ATOM 1693 N GLY A 100 2.163 14.163 -3.473 1.00 3.33 N ATOM 1694 CA GLY A 100 2.046 14.839 -2.182 1.00 42.13 C ATOM 1695 C GLY A 100 0.623 14.826 -1.616 1.00 40.54 C ATOM 1696 O GLY A 100 0.430 14.809 -0.397 1.00 70.15 O ATOM 0 H GLY A 100 2.579 13.233 -3.429 1.00 3.33 H new ATOM 0 HA2 GLY A 100 2.717 14.362 -1.468 1.00 42.13 H new ATOM 0 HA3 GLY A 100 2.377 15.872 -2.290 1.00 42.13 H new ATOM 1700 N GLY A 101 -0.377 14.832 -2.500 1.00 4.33 N ATOM 1701 CA GLY A 101 -1.773 14.866 -2.072 1.00 35.51 C ATOM 1702 C GLY A 101 -2.338 16.282 -2.014 1.00 60.13 C ATOM 1703 O GLY A 101 -3.356 16.530 -1.373 1.00 52.44 O ATOM 0 H GLY A 101 -0.245 14.814 -3.511 1.00 4.33 H new ATOM 0 HA2 GLY A 101 -2.373 14.268 -2.757 1.00 35.51 H new ATOM 0 HA3 GLY A 101 -1.858 14.405 -1.088 1.00 35.51 H new ATOM 1707 N SER A 102 -1.681 17.205 -2.707 1.00 34.32 N ATOM 1708 CA SER A 102 -2.055 18.634 -2.680 1.00 11.23 C ATOM 1709 C SER A 102 -2.408 19.159 -4.083 1.00 64.13 C ATOM 1710 O SER A 102 -2.156 20.321 -4.407 1.00 74.33 O ATOM 1711 CB SER A 102 -0.898 19.461 -2.096 1.00 75.31 C ATOM 1712 OG SER A 102 0.285 19.316 -2.871 1.00 2.25 O ATOM 0 H SER A 102 -0.879 16.997 -3.302 1.00 34.32 H new ATOM 0 HA SER A 102 -2.941 18.735 -2.053 1.00 11.23 H new ATOM 0 HB2 SER A 102 -1.183 20.512 -2.058 1.00 75.31 H new ATOM 0 HB3 SER A 102 -0.704 19.146 -1.071 1.00 75.31 H new ATOM 0 HG SER A 102 1.003 19.854 -2.477 1.00 2.25 H new ATOM 1718 N LEU A 103 -3.017 18.300 -4.902 1.00 25.30 N ATOM 1719 CA LEU A 103 -3.364 18.653 -6.289 1.00 52.03 C ATOM 1720 C LEU A 103 -4.598 19.573 -6.364 1.00 41.31 C ATOM 1721 O LEU A 103 -4.470 20.788 -6.521 1.00 4.33 O ATOM 1722 CB LEU A 103 -3.606 17.373 -7.108 1.00 2.42 C ATOM 1723 CG LEU A 103 -2.418 16.396 -7.173 1.00 4.12 C ATOM 1724 CD1 LEU A 103 -2.808 15.116 -7.906 1.00 43.23 C ATOM 1725 CD2 LEU A 103 -1.210 17.051 -7.840 1.00 70.12 C ATOM 0 H LEU A 103 -3.282 17.353 -4.633 1.00 25.30 H new ATOM 0 HA LEU A 103 -2.523 19.205 -6.709 1.00 52.03 H new ATOM 0 HB2 LEU A 103 -4.463 16.848 -6.686 1.00 2.42 H new ATOM 0 HB3 LEU A 103 -3.876 17.658 -8.125 1.00 2.42 H new ATOM 0 HG LEU A 103 -2.142 16.134 -6.152 1.00 4.12 H new ATOM 0 HD11 LEU A 103 -1.953 14.441 -7.940 1.00 43.23 H new ATOM 0 HD12 LEU A 103 -3.632 14.632 -7.381 1.00 43.23 H new ATOM 0 HD13 LEU A 103 -3.119 15.359 -8.922 1.00 43.23 H new ATOM 0 HD21 LEU A 103 -0.384 16.341 -7.874 1.00 70.12 H new ATOM 0 HD22 LEU A 103 -1.473 17.351 -8.854 1.00 70.12 H new ATOM 0 HD23 LEU A 103 -0.910 17.929 -7.268 1.00 70.12 H new ATOM 1737 N GLU A 104 -5.794 18.987 -6.247 1.00 75.42 N ATOM 1738 CA GLU A 104 -7.047 19.759 -6.303 1.00 23.10 C ATOM 1739 C GLU A 104 -7.170 20.732 -5.123 1.00 23.10 C ATOM 1740 O GLU A 104 -7.691 21.837 -5.268 1.00 3.14 O ATOM 1741 CB GLU A 104 -8.257 18.814 -6.342 1.00 53.11 C ATOM 1742 CG GLU A 104 -8.386 18.034 -7.648 1.00 5.34 C ATOM 1743 CD GLU A 104 -8.652 18.938 -8.844 1.00 12.12 C ATOM 1744 OE1 GLU A 104 -7.690 19.505 -9.400 1.00 21.43 O ATOM 1745 OE2 GLU A 104 -9.830 19.094 -9.231 1.00 2.44 O ATOM 0 H GLU A 104 -5.924 17.984 -6.113 1.00 75.42 H new ATOM 0 HA GLU A 104 -7.027 20.351 -7.218 1.00 23.10 H new ATOM 0 HB2 GLU A 104 -8.183 18.109 -5.514 1.00 53.11 H new ATOM 0 HB3 GLU A 104 -9.166 19.395 -6.185 1.00 53.11 H new ATOM 0 HG2 GLU A 104 -7.471 17.468 -7.821 1.00 5.34 H new ATOM 0 HG3 GLU A 104 -9.196 17.310 -7.557 1.00 5.34 H new ATOM 1752 N HIS A 105 -6.702 20.311 -3.954 1.00 52.42 N ATOM 1753 CA HIS A 105 -6.638 21.196 -2.789 1.00 2.22 C ATOM 1754 C HIS A 105 -5.302 21.955 -2.778 1.00 22.11 C ATOM 1755 O HIS A 105 -4.292 21.448 -2.286 1.00 55.21 O ATOM 1756 CB HIS A 105 -6.820 20.397 -1.489 1.00 20.33 C ATOM 1757 CG HIS A 105 -8.161 19.728 -1.372 1.00 10.43 C ATOM 1758 ND1 HIS A 105 -9.275 20.356 -0.856 1.00 1.44 N ATOM 1759 CD2 HIS A 105 -8.562 18.478 -1.708 1.00 4.33 C ATOM 1760 CE1 HIS A 105 -10.300 19.527 -0.879 1.00 13.14 C ATOM 1761 NE2 HIS A 105 -9.896 18.383 -1.391 1.00 53.11 N ATOM 0 H HIS A 105 -6.361 19.365 -3.784 1.00 52.42 H new ATOM 0 HA HIS A 105 -7.450 21.920 -2.855 1.00 2.22 H new ATOM 0 HB2 HIS A 105 -6.039 19.639 -1.427 1.00 20.33 H new ATOM 0 HB3 HIS A 105 -6.683 21.066 -0.640 1.00 20.33 H new ATOM 0 HD2 HIS A 105 -7.949 17.703 -2.143 1.00 4.33 H new ATOM 0 HE1 HIS A 105 -11.300 19.748 -0.536 1.00 13.14 H new ATOM 0 HE2 HIS A 105 -10.480 17.558 -1.530 1.00 53.11 H new ATOM 1770 N HIS A 106 -5.304 23.162 -3.345 1.00 21.41 N ATOM 1771 CA HIS A 106 -4.077 23.947 -3.521 1.00 42.35 C ATOM 1772 C HIS A 106 -3.637 24.620 -2.209 1.00 22.12 C ATOM 1773 O HIS A 106 -4.218 25.619 -1.778 1.00 74.41 O ATOM 1774 CB HIS A 106 -4.274 24.995 -4.626 1.00 11.44 C ATOM 1775 CG HIS A 106 -4.533 24.394 -5.978 1.00 23.14 C ATOM 1776 ND1 HIS A 106 -3.575 24.324 -6.967 1.00 24.24 N ATOM 1777 CD2 HIS A 106 -5.646 23.827 -6.505 1.00 20.12 C ATOM 1778 CE1 HIS A 106 -4.084 23.742 -8.033 1.00 24.12 C ATOM 1779 NE2 HIS A 106 -5.336 23.429 -7.782 1.00 1.30 N ATOM 0 H HIS A 106 -6.146 23.621 -3.693 1.00 21.41 H new ATOM 0 HA HIS A 106 -3.282 23.262 -3.817 1.00 42.35 H new ATOM 0 HB2 HIS A 106 -5.109 25.642 -4.358 1.00 11.44 H new ATOM 0 HB3 HIS A 106 -3.387 25.626 -4.681 1.00 11.44 H new ATOM 0 HD2 HIS A 106 -6.600 23.710 -6.012 1.00 20.12 H new ATOM 0 HE1 HIS A 106 -3.561 23.553 -8.959 1.00 24.12 H new ATOM 0 HE2 HIS A 106 -5.973 22.966 -8.430 1.00 1.30 H new ATOM 1788 N HIS A 107 -2.611 24.054 -1.580 1.00 61.54 N ATOM 1789 CA HIS A 107 -2.087 24.564 -0.308 1.00 43.31 C ATOM 1790 C HIS A 107 -0.842 25.447 -0.519 1.00 32.20 C ATOM 1791 O HIS A 107 -0.455 26.214 0.367 1.00 64.13 O ATOM 1792 CB HIS A 107 -1.758 23.379 0.616 1.00 75.32 C ATOM 1793 CG HIS A 107 -1.266 23.778 1.973 1.00 52.21 C ATOM 1794 ND1 HIS A 107 0.024 23.560 2.401 1.00 22.05 N ATOM 1795 CD2 HIS A 107 -1.905 24.375 3.008 1.00 45.15 C ATOM 1796 CE1 HIS A 107 0.159 24.000 3.634 1.00 41.24 C ATOM 1797 NE2 HIS A 107 -0.994 24.498 4.025 1.00 21.10 N ATOM 0 H HIS A 107 -2.119 23.233 -1.932 1.00 61.54 H new ATOM 0 HA HIS A 107 -2.850 25.190 0.155 1.00 43.31 H new ATOM 0 HB2 HIS A 107 -2.650 22.764 0.732 1.00 75.32 H new ATOM 0 HB3 HIS A 107 -1.002 22.757 0.136 1.00 75.32 H new ATOM 0 HD2 HIS A 107 -2.937 24.694 3.028 1.00 45.15 H new ATOM 0 HE1 HIS A 107 1.063 23.959 4.224 1.00 41.24 H new ATOM 0 HE2 HIS A 107 -1.181 24.910 4.939 1.00 21.10 H new ATOM 1806 N HIS A 108 -0.216 25.330 -1.692 1.00 41.03 N ATOM 1807 CA HIS A 108 0.976 26.127 -2.020 1.00 23.23 C ATOM 1808 C HIS A 108 0.581 27.555 -2.450 1.00 74.52 C ATOM 1809 O HIS A 108 1.212 28.536 -2.053 1.00 72.11 O ATOM 1810 CB HIS A 108 1.780 25.427 -3.129 1.00 25.35 C ATOM 1811 CG HIS A 108 3.179 25.946 -3.299 1.00 13.54 C ATOM 1812 ND1 HIS A 108 4.288 25.279 -2.829 1.00 32.32 N ATOM 1813 CD2 HIS A 108 3.651 27.055 -3.915 1.00 43.53 C ATOM 1814 CE1 HIS A 108 5.373 25.950 -3.148 1.00 11.52 C ATOM 1815 NE2 HIS A 108 5.018 27.032 -3.809 1.00 60.31 N ATOM 0 H HIS A 108 -0.511 24.693 -2.432 1.00 41.03 H new ATOM 0 HA HIS A 108 1.599 26.209 -1.130 1.00 23.23 H new ATOM 0 HB2 HIS A 108 1.825 24.360 -2.911 1.00 25.35 H new ATOM 0 HB3 HIS A 108 1.247 25.537 -4.073 1.00 25.35 H new ATOM 0 HD2 HIS A 108 3.060 27.817 -4.401 1.00 43.53 H new ATOM 0 HE1 HIS A 108 6.386 25.662 -2.908 1.00 11.52 H new ATOM 0 HE2 HIS A 108 5.655 27.737 -4.181 1.00 60.31 H new ATOM 1824 N HIS A 109 -0.445 27.655 -3.295 1.00 1.40 N ATOM 1825 CA HIS A 109 -1.068 28.944 -3.646 1.00 11.40 C ATOM 1826 C HIS A 109 -2.591 28.786 -3.770 1.00 1.31 C ATOM 1827 O HIS A 109 -3.075 27.942 -4.523 1.00 53.43 O ATOM 1828 CB HIS A 109 -0.506 29.504 -4.962 1.00 72.24 C ATOM 1829 CG HIS A 109 0.902 30.007 -4.875 1.00 61.05 C ATOM 1830 ND1 HIS A 109 1.905 29.588 -5.722 1.00 75.43 N ATOM 1831 CD2 HIS A 109 1.468 30.930 -4.059 1.00 74.45 C ATOM 1832 CE1 HIS A 109 3.021 30.225 -5.434 1.00 53.12 C ATOM 1833 NE2 HIS A 109 2.785 31.046 -4.431 1.00 31.33 N ATOM 0 H HIS A 109 -0.871 26.852 -3.757 1.00 1.40 H new ATOM 0 HA HIS A 109 -0.835 29.646 -2.845 1.00 11.40 H new ATOM 0 HB2 HIS A 109 -0.553 28.725 -5.723 1.00 72.24 H new ATOM 0 HB3 HIS A 109 -1.148 30.318 -5.299 1.00 72.24 H new ATOM 0 HD2 HIS A 109 0.976 31.472 -3.265 1.00 74.45 H new ATOM 0 HE1 HIS A 109 3.969 30.096 -5.935 1.00 53.12 H new ATOM 0 HE2 HIS A 109 3.470 31.667 -4.000 1.00 31.33 H new ATOM 1842 N HIS A 110 -3.343 29.603 -3.035 1.00 65.13 N ATOM 1843 CA HIS A 110 -4.811 29.510 -3.028 1.00 3.11 C ATOM 1844 C HIS A 110 -5.460 30.757 -3.670 1.00 53.43 C ATOM 1845 O HIS A 110 -6.015 30.645 -4.787 1.00 36.85 O ATOM 1846 CB HIS A 110 -5.308 29.327 -1.585 1.00 53.15 C ATOM 1847 CG HIS A 110 -6.749 28.925 -1.487 1.00 1.53 C ATOM 1848 ND1 HIS A 110 -7.752 29.777 -1.070 1.00 4.54 N ATOM 1849 CD2 HIS A 110 -7.356 27.742 -1.750 1.00 41.22 C ATOM 1850 CE1 HIS A 110 -8.906 29.137 -1.083 1.00 51.40 C ATOM 1851 NE2 HIS A 110 -8.693 27.904 -1.491 1.00 32.13 N ATOM 1852 OXT HIS A 110 -5.413 31.842 -3.053 1.00 36.85 O ATOM 0 H HIS A 110 -2.966 30.337 -2.436 1.00 65.13 H new ATOM 0 HA HIS A 110 -5.104 28.646 -3.625 1.00 3.11 H new ATOM 0 HB2 HIS A 110 -4.696 28.571 -1.093 1.00 53.15 H new ATOM 0 HB3 HIS A 110 -5.163 30.260 -1.040 1.00 53.15 H new ATOM 0 HD2 HIS A 110 -6.876 26.840 -2.099 1.00 41.22 H new ATOM 0 HE1 HIS A 110 -9.863 29.554 -0.806 1.00 51.40 H new ATOM 0 HE2 HIS A 110 -9.408 27.184 -1.598 1.00 32.13 H new TER 1861 HIS A 110