USER MOD reduce.3.24.130724 H: found=0, std=0, add=1082, rem=0, adj=49 USER MOD reduce.3.24.130724 removed 1076 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 102 TYR OH : rot 30:sc= 0.253 USER MOD Set 1.2: A 125 LYS NZ :NH3+ 150:sc= 0.256 (180deg=-0.18) USER MOD Set 2.1: A 71 THR OG1 : rot 139:sc= -2.17 USER MOD Set 2.2: A 73 HIS : no HE2:sc= -12.3! C(o=-39!,f=-42!) USER MOD Set 2.3: A 75 HIS : no HE2:sc= -24.1! C(o=-39!,f=-49!) USER MOD Set 3.1: A 60 ASN :FLIP amide:sc= -13.7! C(o=-23!,f=-22!) USER MOD Set 3.2: A 65 ASN : amide:sc= -8.13! C(o=-22!,f=-23!) USER MOD Set 4.1: A 57 SER OG : rot -136:sc= 0.353 USER MOD Set 4.2: A 59 HIS : no HE2:sc= -10.6! C(o=-10!,f=-15!) USER MOD Set 5.1: A 44 TYR OH : rot 153:sc= -2.04! USER MOD Set 5.2: A 48 MET CE :methyl -162:sc= -0.868 (180deg=-1.28) USER MOD Set 5.3: A 119 SER OG : rot 101:sc= 1.52 USER MOD Set 6.1: A 36 THR OG1 : rot 121:sc= 0.491 USER MOD Set 6.2: A 39 LYS NZ :NH3+ -104:sc= -0.465 (180deg=-1.03) USER MOD Set 6.3: A 91 SER OG : rot 175:sc= -0.027 USER MOD Set 7.1: A 34 TYR OH : rot 151:sc= -2.18! USER MOD Set 7.2: A 61 SER OG : rot -180:sc= 0.586 USER MOD Set 7.3: A 64 HIS :FLIP no HE2:sc= -13.6! C(o=-17!,f=-15!) USER MOD Single : A 1 GLY N :NH3+ -154:sc= 1.23 (180deg=1.01) USER MOD Single : A 2 SER OG : rot 180:sc=-0.00609 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -148:sc= -0.0527 (180deg=-0.637) USER MOD Single : A 12 SER OG : rot 180:sc= 0.107 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0.126 USER MOD Single : A 20 HIS :FLIP no HD1:sc= -1.32 F(o=-2.6!,f=-1.3) USER MOD Single : A 24 SER OG : rot 180:sc= 0.0316 USER MOD Single : A 25 ASN : amide:sc= -0.457 K(o=-0.46,f=-6!) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0829 USER MOD Single : A 30 CYS SG : rot -142:sc= -10.1! USER MOD Single : A 35 THR OG1 : rot -120:sc= -4.64! USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= -0.153 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot -170:sc= -0.403 USER MOD Single : A 62 TYR OH : rot 139:sc= -0.259 USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 78 SER OG : rot 180:sc= 0.0304 USER MOD Single : A 81 ASN : amide:sc= -0.425 K(o=-0.42,f=-1.2) USER MOD Single : A 82 ASN :FLIP amide:sc= -0.309 F(o=-1.2,f=-0.31) USER MOD Single : A 83 TYR OH : rot -179:sc= -3.38! USER MOD Single : A 85 GLN :FLIP amide:sc= 0 F(o=-1.6,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 CYS SG : rot -36:sc= -1.91! USER MOD Single : A 89 THR OG1 : rot 52:sc= 1.06 USER MOD Single : A 95 CYS SG : rot 180:sc= -4.48! USER MOD Single : A 96 LYS NZ :NH3+ -107:sc= 0.348 (180deg=0) USER MOD Single : A 99 ASN :FLIP amide:sc=-0.00157 F(o=-1.2,f=-0.0016) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 MET CE :methyl 177:sc= -6.99! (180deg=-7.59!) USER MOD Single : A 105 TYR OH : rot 180:sc= -0.0959 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot -55:sc= 1.04 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 127 HIS : no HE2:sc= -6.65! C(o=-6.6!,f=-9.4!) USER MOD Single : A 130 ASN : amide:sc= -0.591 K(o=-0.59,f=-6.8!) USER MOD Single : A 133 SER OG : rot 180:sc= -0.332 USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 115.712 -2.068 23.006 1.00 0.00 N ATOM 2 CA GLY A 1 115.302 -2.772 24.300 1.00 0.00 C ATOM 3 C GLY A 1 116.028 -4.005 24.723 1.00 0.00 C ATOM 4 O GLY A 1 117.239 -4.022 24.815 1.00 0.00 O ATOM 0 H1 GLY A 1 115.461 -1.060 23.064 1.00 0.00 H new ATOM 0 H2 GLY A 1 116.739 -2.162 22.870 1.00 0.00 H new ATOM 0 H3 GLY A 1 115.215 -2.502 22.202 1.00 0.00 H new ATOM 0 HA2 GLY A 1 115.389 -2.047 25.109 1.00 0.00 H new ATOM 0 HA3 GLY A 1 114.246 -3.027 24.213 1.00 0.00 H new ATOM 10 N SER A 2 115.313 -5.064 24.991 1.00 0.00 N ATOM 11 CA SER A 2 115.982 -6.325 25.419 1.00 0.00 C ATOM 12 C SER A 2 115.726 -7.418 24.379 1.00 0.00 C ATOM 13 O SER A 2 116.609 -7.801 23.638 1.00 0.00 O ATOM 14 CB SER A 2 115.420 -6.768 26.771 1.00 0.00 C ATOM 15 OG SER A 2 115.696 -8.150 26.964 1.00 0.00 O ATOM 0 H SER A 2 114.296 -5.110 24.932 1.00 0.00 H new ATOM 0 HA SER A 2 117.055 -6.153 25.509 1.00 0.00 H new ATOM 0 HB2 SER A 2 115.866 -6.181 27.573 1.00 0.00 H new ATOM 0 HB3 SER A 2 114.345 -6.591 26.807 1.00 0.00 H new ATOM 0 HG SER A 2 115.339 -8.437 27.830 1.00 0.00 H new ATOM 21 N LYS A 3 114.523 -7.922 24.319 1.00 0.00 N ATOM 22 CA LYS A 3 114.213 -8.990 23.326 1.00 0.00 C ATOM 23 C LYS A 3 113.997 -8.357 21.951 1.00 0.00 C ATOM 24 O LYS A 3 113.849 -7.157 21.826 1.00 0.00 O ATOM 25 CB LYS A 3 112.942 -9.729 23.752 1.00 0.00 C ATOM 26 CG LYS A 3 113.070 -11.212 23.398 1.00 0.00 C ATOM 27 CD LYS A 3 113.609 -11.983 24.605 1.00 0.00 C ATOM 28 CE LYS A 3 112.570 -11.967 25.727 1.00 0.00 C ATOM 29 NZ LYS A 3 111.970 -13.323 25.868 1.00 0.00 N ATOM 0 H LYS A 3 113.743 -7.641 24.913 1.00 0.00 H new ATOM 0 HA LYS A 3 115.044 -9.694 23.277 1.00 0.00 H new ATOM 0 HB2 LYS A 3 112.783 -9.613 24.824 1.00 0.00 H new ATOM 0 HB3 LYS A 3 112.074 -9.299 23.253 1.00 0.00 H new ATOM 0 HG2 LYS A 3 112.100 -11.611 23.103 1.00 0.00 H new ATOM 0 HG3 LYS A 3 113.738 -11.337 22.546 1.00 0.00 H new ATOM 0 HD2 LYS A 3 113.837 -13.010 24.321 1.00 0.00 H new ATOM 0 HD3 LYS A 3 114.540 -11.534 24.951 1.00 0.00 H new ATOM 0 HE2 LYS A 3 113.036 -11.665 26.665 1.00 0.00 H new ATOM 0 HE3 LYS A 3 111.793 -11.235 25.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 111.263 -13.312 26.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 111.511 -13.594 24.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 112.716 -14.011 26.097 1.00 0.00 H new ATOM 43 N VAL A 4 113.983 -9.152 20.916 1.00 0.00 N ATOM 44 CA VAL A 4 113.780 -8.598 19.550 1.00 0.00 C ATOM 45 C VAL A 4 112.667 -7.549 19.582 1.00 0.00 C ATOM 46 O VAL A 4 111.496 -7.870 19.523 1.00 0.00 O ATOM 47 CB VAL A 4 113.387 -9.727 18.595 1.00 0.00 C ATOM 48 CG1 VAL A 4 112.174 -10.472 19.154 1.00 0.00 C ATOM 49 CG2 VAL A 4 113.035 -9.136 17.227 1.00 0.00 C ATOM 0 H VAL A 4 114.104 -10.164 20.959 1.00 0.00 H new ATOM 0 HA VAL A 4 114.705 -8.135 19.207 1.00 0.00 H new ATOM 0 HB VAL A 4 114.221 -10.420 18.490 1.00 0.00 H new ATOM 0 HG11 VAL A 4 111.895 -11.276 18.473 1.00 0.00 H new ATOM 0 HG12 VAL A 4 112.422 -10.892 20.129 1.00 0.00 H new ATOM 0 HG13 VAL A 4 111.339 -9.780 19.260 1.00 0.00 H new ATOM 0 HG21 VAL A 4 112.755 -9.939 16.545 1.00 0.00 H new ATOM 0 HG22 VAL A 4 112.201 -8.443 17.334 1.00 0.00 H new ATOM 0 HG23 VAL A 4 113.899 -8.605 16.827 1.00 0.00 H new ATOM 59 N GLU A 5 113.022 -6.297 19.675 1.00 0.00 N ATOM 60 CA GLU A 5 111.984 -5.228 19.710 1.00 0.00 C ATOM 61 C GLU A 5 111.351 -5.088 18.325 1.00 0.00 C ATOM 62 O GLU A 5 112.036 -4.973 17.328 1.00 0.00 O ATOM 63 CB GLU A 5 112.632 -3.901 20.111 1.00 0.00 C ATOM 64 CG GLU A 5 113.698 -3.521 19.083 1.00 0.00 C ATOM 65 CD GLU A 5 114.995 -3.152 19.804 1.00 0.00 C ATOM 66 OE1 GLU A 5 115.173 -3.596 20.926 1.00 0.00 O ATOM 67 OE2 GLU A 5 115.790 -2.433 19.221 1.00 0.00 O ATOM 0 H GLU A 5 113.986 -5.968 19.728 1.00 0.00 H new ATOM 0 HA GLU A 5 111.215 -5.491 20.437 1.00 0.00 H new ATOM 0 HB2 GLU A 5 111.875 -3.119 20.172 1.00 0.00 H new ATOM 0 HB3 GLU A 5 113.081 -3.988 21.100 1.00 0.00 H new ATOM 0 HG2 GLU A 5 113.873 -4.353 18.401 1.00 0.00 H new ATOM 0 HG3 GLU A 5 113.353 -2.681 18.480 1.00 0.00 H new ATOM 74 N ASP A 6 110.048 -5.097 18.253 1.00 0.00 N ATOM 75 CA ASP A 6 109.377 -4.965 16.930 1.00 0.00 C ATOM 76 C ASP A 6 109.207 -3.480 16.591 1.00 0.00 C ATOM 77 O ASP A 6 108.947 -2.674 17.462 1.00 0.00 O ATOM 78 CB ASP A 6 108.004 -5.637 16.985 1.00 0.00 C ATOM 79 CG ASP A 6 108.125 -7.083 16.501 1.00 0.00 C ATOM 80 OD1 ASP A 6 109.186 -7.438 16.017 1.00 0.00 O ATOM 81 OD2 ASP A 6 107.153 -7.811 16.625 1.00 0.00 O ATOM 0 H ASP A 6 109.421 -5.190 19.052 1.00 0.00 H new ATOM 0 HA ASP A 6 109.985 -5.446 16.164 1.00 0.00 H new ATOM 0 HB2 ASP A 6 107.617 -5.614 18.004 1.00 0.00 H new ATOM 0 HB3 ASP A 6 107.295 -5.092 16.362 1.00 0.00 H new ATOM 86 N PRO A 7 109.361 -3.163 15.329 1.00 0.00 N ATOM 87 CA PRO A 7 109.234 -1.780 14.838 1.00 0.00 C ATOM 88 C PRO A 7 107.760 -1.392 14.700 1.00 0.00 C ATOM 89 O PRO A 7 106.993 -2.053 14.028 1.00 0.00 O ATOM 90 CB PRO A 7 109.916 -1.822 13.469 1.00 0.00 C ATOM 91 CG PRO A 7 109.888 -3.299 13.010 1.00 0.00 C ATOM 92 CD PRO A 7 109.679 -4.151 14.277 1.00 0.00 C ATOM 0 HA PRO A 7 109.678 -1.045 15.510 1.00 0.00 H new ATOM 0 HB2 PRO A 7 109.394 -1.184 12.756 1.00 0.00 H new ATOM 0 HB3 PRO A 7 110.940 -1.455 13.534 1.00 0.00 H new ATOM 0 HG2 PRO A 7 109.084 -3.467 12.294 1.00 0.00 H new ATOM 0 HG3 PRO A 7 110.820 -3.568 12.512 1.00 0.00 H new ATOM 0 HD2 PRO A 7 108.869 -4.868 14.146 1.00 0.00 H new ATOM 0 HD3 PRO A 7 110.573 -4.723 14.525 1.00 0.00 H new ATOM 100 N LYS A 8 107.358 -0.320 15.329 1.00 0.00 N ATOM 101 CA LYS A 8 105.937 0.111 15.230 1.00 0.00 C ATOM 102 C LYS A 8 105.739 0.912 13.940 1.00 0.00 C ATOM 103 O LYS A 8 104.629 1.206 13.544 1.00 0.00 O ATOM 104 CB LYS A 8 105.586 0.987 16.434 1.00 0.00 C ATOM 105 CG LYS A 8 104.067 1.140 16.530 1.00 0.00 C ATOM 106 CD LYS A 8 103.470 -0.100 17.198 1.00 0.00 C ATOM 107 CE LYS A 8 102.360 -0.673 16.315 1.00 0.00 C ATOM 108 NZ LYS A 8 101.328 0.374 16.071 1.00 0.00 N ATOM 0 H LYS A 8 107.953 0.274 15.906 1.00 0.00 H new ATOM 0 HA LYS A 8 105.289 -0.765 15.218 1.00 0.00 H new ATOM 0 HB2 LYS A 8 105.975 0.539 17.348 1.00 0.00 H new ATOM 0 HB3 LYS A 8 106.055 1.966 16.334 1.00 0.00 H new ATOM 0 HG2 LYS A 8 103.816 2.032 17.104 1.00 0.00 H new ATOM 0 HG3 LYS A 8 103.641 1.271 15.536 1.00 0.00 H new ATOM 0 HD2 LYS A 8 104.246 -0.849 17.357 1.00 0.00 H new ATOM 0 HD3 LYS A 8 103.071 0.159 18.179 1.00 0.00 H new ATOM 0 HE2 LYS A 8 102.775 -1.017 15.368 1.00 0.00 H new ATOM 0 HE3 LYS A 8 101.907 -1.539 16.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 100.394 -0.074 15.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 101.314 1.040 16.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 101.555 0.888 15.196 1.00 0.00 H new ATOM 122 N ASP A 9 106.810 1.266 13.282 1.00 0.00 N ATOM 123 CA ASP A 9 106.688 2.046 12.018 1.00 0.00 C ATOM 124 C ASP A 9 108.060 2.151 11.351 1.00 0.00 C ATOM 125 O ASP A 9 108.985 1.443 11.697 1.00 0.00 O ATOM 126 CB ASP A 9 106.166 3.450 12.334 1.00 0.00 C ATOM 127 CG ASP A 9 104.946 3.750 11.462 1.00 0.00 C ATOM 128 OD1 ASP A 9 104.209 2.823 11.170 1.00 0.00 O ATOM 129 OD2 ASP A 9 104.770 4.901 11.100 1.00 0.00 O ATOM 0 H ASP A 9 107.765 1.048 13.566 1.00 0.00 H new ATOM 0 HA ASP A 9 105.994 1.543 11.345 1.00 0.00 H new ATOM 0 HB2 ASP A 9 105.899 3.521 13.388 1.00 0.00 H new ATOM 0 HB3 ASP A 9 106.946 4.189 12.152 1.00 0.00 H new ATOM 134 N PHE A 10 108.203 3.030 10.398 1.00 0.00 N ATOM 135 CA PHE A 10 109.517 3.179 9.712 1.00 0.00 C ATOM 136 C PHE A 10 110.536 3.765 10.696 1.00 0.00 C ATOM 137 O PHE A 10 110.164 4.323 11.709 1.00 0.00 O ATOM 138 CB PHE A 10 109.363 4.119 8.514 1.00 0.00 C ATOM 139 CG PHE A 10 108.729 3.372 7.363 1.00 0.00 C ATOM 140 CD1 PHE A 10 107.538 2.664 7.559 1.00 0.00 C ATOM 141 CD2 PHE A 10 109.332 3.390 6.099 1.00 0.00 C ATOM 142 CE1 PHE A 10 106.949 1.974 6.492 1.00 0.00 C ATOM 143 CE2 PHE A 10 108.743 2.700 5.033 1.00 0.00 C ATOM 144 CZ PHE A 10 107.553 1.992 5.229 1.00 0.00 C ATOM 0 H PHE A 10 107.466 3.652 10.065 1.00 0.00 H new ATOM 0 HA PHE A 10 109.862 2.205 9.365 1.00 0.00 H new ATOM 0 HB2 PHE A 10 108.748 4.976 8.788 1.00 0.00 H new ATOM 0 HB3 PHE A 10 110.337 4.508 8.216 1.00 0.00 H new ATOM 0 HD1 PHE A 10 107.073 2.650 8.534 1.00 0.00 H new ATOM 0 HD2 PHE A 10 110.251 3.936 5.947 1.00 0.00 H new ATOM 0 HE1 PHE A 10 106.029 1.428 6.643 1.00 0.00 H new ATOM 0 HE2 PHE A 10 109.208 2.714 4.058 1.00 0.00 H new ATOM 0 HZ PHE A 10 107.100 1.459 4.406 1.00 0.00 H new ATOM 154 N PRO A 11 111.793 3.619 10.365 1.00 0.00 N ATOM 155 CA PRO A 11 112.898 4.123 11.200 1.00 0.00 C ATOM 156 C PRO A 11 113.056 5.635 11.021 1.00 0.00 C ATOM 157 O PRO A 11 112.733 6.185 9.986 1.00 0.00 O ATOM 158 CB PRO A 11 114.122 3.377 10.663 1.00 0.00 C ATOM 159 CG PRO A 11 113.768 2.935 9.223 1.00 0.00 C ATOM 160 CD PRO A 11 112.230 2.940 9.128 1.00 0.00 C ATOM 0 HA PRO A 11 112.740 3.960 12.266 1.00 0.00 H new ATOM 0 HB2 PRO A 11 115.001 4.021 10.666 1.00 0.00 H new ATOM 0 HB3 PRO A 11 114.356 2.515 11.287 1.00 0.00 H new ATOM 0 HG2 PRO A 11 114.204 3.615 8.491 1.00 0.00 H new ATOM 0 HG3 PRO A 11 114.166 1.942 9.013 1.00 0.00 H new ATOM 0 HD2 PRO A 11 111.888 3.471 8.240 1.00 0.00 H new ATOM 0 HD3 PRO A 11 111.831 1.927 9.067 1.00 0.00 H new ATOM 168 N SER A 12 113.551 6.313 12.020 1.00 0.00 N ATOM 169 CA SER A 12 113.727 7.788 11.903 1.00 0.00 C ATOM 170 C SER A 12 114.712 8.093 10.773 1.00 0.00 C ATOM 171 O SER A 12 114.608 9.102 10.103 1.00 0.00 O ATOM 172 CB SER A 12 114.268 8.343 13.220 1.00 0.00 C ATOM 173 OG SER A 12 114.939 7.308 13.927 1.00 0.00 O ATOM 0 H SER A 12 113.841 5.910 12.911 1.00 0.00 H new ATOM 0 HA SER A 12 112.767 8.254 11.683 1.00 0.00 H new ATOM 0 HB2 SER A 12 114.952 9.169 13.026 1.00 0.00 H new ATOM 0 HB3 SER A 12 113.452 8.740 13.823 1.00 0.00 H new ATOM 0 HG SER A 12 115.288 7.662 14.771 1.00 0.00 H new ATOM 179 N GLU A 13 115.665 7.231 10.554 1.00 0.00 N ATOM 180 CA GLU A 13 116.653 7.473 9.465 1.00 0.00 C ATOM 181 C GLU A 13 115.921 7.553 8.125 1.00 0.00 C ATOM 182 O GLU A 13 116.373 8.193 7.196 1.00 0.00 O ATOM 183 CB GLU A 13 117.662 6.323 9.425 1.00 0.00 C ATOM 184 CG GLU A 13 118.970 6.812 8.800 1.00 0.00 C ATOM 185 CD GLU A 13 120.139 6.455 9.721 1.00 0.00 C ATOM 186 OE1 GLU A 13 120.190 5.322 10.169 1.00 0.00 O ATOM 187 OE2 GLU A 13 120.964 7.323 9.961 1.00 0.00 O ATOM 0 H GLU A 13 115.803 6.369 11.082 1.00 0.00 H new ATOM 0 HA GLU A 13 117.178 8.410 9.652 1.00 0.00 H new ATOM 0 HB2 GLU A 13 117.845 5.951 10.433 1.00 0.00 H new ATOM 0 HB3 GLU A 13 117.259 5.492 8.847 1.00 0.00 H new ATOM 0 HG2 GLU A 13 119.111 6.354 7.821 1.00 0.00 H new ATOM 0 HG3 GLU A 13 118.931 7.890 8.645 1.00 0.00 H new ATOM 194 N LEU A 14 114.791 6.909 8.017 1.00 0.00 N ATOM 195 CA LEU A 14 114.029 6.949 6.738 1.00 0.00 C ATOM 196 C LEU A 14 112.817 7.867 6.897 1.00 0.00 C ATOM 197 O LEU A 14 112.168 8.227 5.934 1.00 0.00 O ATOM 198 CB LEU A 14 113.555 5.539 6.384 1.00 0.00 C ATOM 199 CG LEU A 14 114.762 4.661 6.055 1.00 0.00 C ATOM 200 CD1 LEU A 14 114.301 3.217 5.849 1.00 0.00 C ATOM 201 CD2 LEU A 14 115.429 5.171 4.776 1.00 0.00 C ATOM 0 H LEU A 14 114.363 6.357 8.760 1.00 0.00 H new ATOM 0 HA LEU A 14 114.672 7.328 5.943 1.00 0.00 H new ATOM 0 HB2 LEU A 14 112.998 5.112 7.218 1.00 0.00 H new ATOM 0 HB3 LEU A 14 112.876 5.576 5.532 1.00 0.00 H new ATOM 0 HG LEU A 14 115.476 4.700 6.878 1.00 0.00 H new ATOM 0 HD11 LEU A 14 115.161 2.590 5.614 1.00 0.00 H new ATOM 0 HD12 LEU A 14 113.825 2.854 6.760 1.00 0.00 H new ATOM 0 HD13 LEU A 14 113.588 3.177 5.026 1.00 0.00 H new ATOM 0 HD21 LEU A 14 116.290 4.546 4.540 1.00 0.00 H new ATOM 0 HD22 LEU A 14 114.716 5.131 3.953 1.00 0.00 H new ATOM 0 HD23 LEU A 14 115.757 6.200 4.922 1.00 0.00 H new ATOM 213 N LEU A 15 112.507 8.251 8.104 1.00 0.00 N ATOM 214 CA LEU A 15 111.336 9.147 8.322 1.00 0.00 C ATOM 215 C LEU A 15 111.666 10.550 7.807 1.00 0.00 C ATOM 216 O LEU A 15 110.830 11.432 7.807 1.00 0.00 O ATOM 217 CB LEU A 15 111.017 9.214 9.816 1.00 0.00 C ATOM 218 CG LEU A 15 110.294 7.936 10.242 1.00 0.00 C ATOM 219 CD1 LEU A 15 110.252 7.858 11.768 1.00 0.00 C ATOM 220 CD2 LEU A 15 108.865 7.954 9.692 1.00 0.00 C ATOM 0 H LEU A 15 113.013 7.984 8.948 1.00 0.00 H new ATOM 0 HA LEU A 15 110.473 8.756 7.784 1.00 0.00 H new ATOM 0 HB2 LEU A 15 111.936 9.333 10.390 1.00 0.00 H new ATOM 0 HB3 LEU A 15 110.395 10.084 10.027 1.00 0.00 H new ATOM 0 HG LEU A 15 110.825 7.069 9.850 1.00 0.00 H new ATOM 0 HD11 LEU A 15 109.737 6.947 12.072 1.00 0.00 H new ATOM 0 HD12 LEU A 15 111.269 7.847 12.160 1.00 0.00 H new ATOM 0 HD13 LEU A 15 109.720 8.724 12.162 1.00 0.00 H new ATOM 0 HD21 LEU A 15 108.347 7.044 9.994 1.00 0.00 H new ATOM 0 HD22 LEU A 15 108.335 8.821 10.086 1.00 0.00 H new ATOM 0 HD23 LEU A 15 108.895 8.010 8.604 1.00 0.00 H new ATOM 232 N SER A 16 112.876 10.764 7.367 1.00 0.00 N ATOM 233 CA SER A 16 113.253 12.110 6.854 1.00 0.00 C ATOM 234 C SER A 16 112.535 12.370 5.529 1.00 0.00 C ATOM 235 O SER A 16 112.423 13.496 5.085 1.00 0.00 O ATOM 236 CB SER A 16 114.765 12.168 6.634 1.00 0.00 C ATOM 237 OG SER A 16 115.174 13.527 6.540 1.00 0.00 O ATOM 0 H SER A 16 113.619 10.065 7.341 1.00 0.00 H new ATOM 0 HA SER A 16 112.963 12.869 7.580 1.00 0.00 H new ATOM 0 HB2 SER A 16 115.283 11.676 7.457 1.00 0.00 H new ATOM 0 HB3 SER A 16 115.033 11.632 5.724 1.00 0.00 H new ATOM 0 HG SER A 16 116.143 13.568 6.400 1.00 0.00 H new ATOM 243 N PHE A 17 112.044 11.341 4.892 1.00 0.00 N ATOM 244 CA PHE A 17 111.334 11.541 3.598 1.00 0.00 C ATOM 245 C PHE A 17 110.199 10.523 3.464 1.00 0.00 C ATOM 246 O PHE A 17 110.281 9.586 2.695 1.00 0.00 O ATOM 247 CB PHE A 17 112.315 11.369 2.434 1.00 0.00 C ATOM 248 CG PHE A 17 113.339 10.304 2.761 1.00 0.00 C ATOM 249 CD1 PHE A 17 112.973 9.165 3.490 1.00 0.00 C ATOM 250 CD2 PHE A 17 114.657 10.455 2.318 1.00 0.00 C ATOM 251 CE1 PHE A 17 113.928 8.183 3.775 1.00 0.00 C ATOM 252 CE2 PHE A 17 115.611 9.472 2.601 1.00 0.00 C ATOM 253 CZ PHE A 17 115.247 8.334 3.331 1.00 0.00 C ATOM 0 H PHE A 17 112.104 10.374 5.211 1.00 0.00 H new ATOM 0 HA PHE A 17 110.919 12.549 3.574 1.00 0.00 H new ATOM 0 HB2 PHE A 17 111.772 11.095 1.530 1.00 0.00 H new ATOM 0 HB3 PHE A 17 112.817 12.315 2.230 1.00 0.00 H new ATOM 0 HD1 PHE A 17 111.955 9.045 3.831 1.00 0.00 H new ATOM 0 HD2 PHE A 17 114.939 11.333 1.756 1.00 0.00 H new ATOM 0 HE1 PHE A 17 113.647 7.306 4.339 1.00 0.00 H new ATOM 0 HE2 PHE A 17 116.628 9.591 2.257 1.00 0.00 H new ATOM 0 HZ PHE A 17 115.982 7.574 3.551 1.00 0.00 H new ATOM 263 N LEU A 18 109.138 10.702 4.202 1.00 0.00 N ATOM 264 CA LEU A 18 107.997 9.748 4.111 1.00 0.00 C ATOM 265 C LEU A 18 106.687 10.534 4.029 1.00 0.00 C ATOM 266 O LEU A 18 106.670 11.742 4.162 1.00 0.00 O ATOM 267 CB LEU A 18 107.980 8.850 5.350 1.00 0.00 C ATOM 268 CG LEU A 18 108.846 7.614 5.098 1.00 0.00 C ATOM 269 CD1 LEU A 18 108.830 6.716 6.337 1.00 0.00 C ATOM 270 CD2 LEU A 18 108.293 6.838 3.900 1.00 0.00 C ATOM 0 H LEU A 18 109.012 11.468 4.864 1.00 0.00 H new ATOM 0 HA LEU A 18 108.108 9.130 3.220 1.00 0.00 H new ATOM 0 HB2 LEU A 18 108.354 9.399 6.215 1.00 0.00 H new ATOM 0 HB3 LEU A 18 106.958 8.550 5.580 1.00 0.00 H new ATOM 0 HG LEU A 18 109.869 7.926 4.889 1.00 0.00 H new ATOM 0 HD11 LEU A 18 109.447 5.836 6.156 1.00 0.00 H new ATOM 0 HD12 LEU A 18 109.225 7.267 7.191 1.00 0.00 H new ATOM 0 HD13 LEU A 18 107.807 6.405 6.548 1.00 0.00 H new ATOM 0 HD21 LEU A 18 108.910 5.958 3.721 1.00 0.00 H new ATOM 0 HD22 LEU A 18 107.269 6.527 4.109 1.00 0.00 H new ATOM 0 HD23 LEU A 18 108.305 7.476 3.016 1.00 0.00 H new ATOM 282 N SER A 19 105.591 9.862 3.808 1.00 0.00 N ATOM 283 CA SER A 19 104.287 10.577 3.718 1.00 0.00 C ATOM 284 C SER A 19 103.746 10.839 5.124 1.00 0.00 C ATOM 285 O SER A 19 103.145 11.863 5.387 1.00 0.00 O ATOM 286 CB SER A 19 103.289 9.720 2.938 1.00 0.00 C ATOM 287 OG SER A 19 101.974 9.985 3.409 1.00 0.00 O ATOM 0 H SER A 19 105.542 8.851 3.686 1.00 0.00 H new ATOM 0 HA SER A 19 104.430 11.527 3.204 1.00 0.00 H new ATOM 0 HB2 SER A 19 103.357 9.940 1.873 1.00 0.00 H new ATOM 0 HB3 SER A 19 103.526 8.663 3.061 1.00 0.00 H new ATOM 0 HG SER A 19 101.332 9.438 2.910 1.00 0.00 H new ATOM 293 N HIS A 20 103.953 9.925 6.031 1.00 0.00 N ATOM 294 CA HIS A 20 103.450 10.125 7.419 1.00 0.00 C ATOM 295 C HIS A 20 101.920 10.186 7.403 1.00 0.00 C ATOM 296 O HIS A 20 101.297 10.628 8.347 1.00 0.00 O ATOM 297 CB HIS A 20 104.006 11.435 7.981 1.00 0.00 C ATOM 298 CG HIS A 20 105.494 11.484 7.762 1.00 0.00 C ATOM 299 ND1 HIS A 20 106.294 12.377 7.093 1.00 0.00 N flip ATOM 300 CD2 HIS A 20 106.347 10.517 8.270 1.00 0.00 C flip ATOM 301 CE1 HIS A 20 107.622 11.973 7.183 1.00 0.00 C flip ATOM 302 NE2 HIS A 20 107.599 10.847 7.902 1.00 0.00 N flip ATOM 0 H HIS A 20 104.449 9.048 5.871 1.00 0.00 H new ATOM 0 HA HIS A 20 103.775 9.294 8.046 1.00 0.00 H new ATOM 0 HB2 HIS A 20 103.528 12.284 7.493 1.00 0.00 H new ATOM 0 HB3 HIS A 20 103.782 11.511 9.045 1.00 0.00 H new ATOM 0 HD2 HIS A 20 106.060 9.656 8.855 1.00 0.00 H new ATOM 0 HE1 HIS A 20 108.487 12.464 6.762 1.00 0.00 H new ATOM 0 HE2 HIS A 20 108.428 10.304 8.142 1.00 0.00 H new ATOM 310 N ALA A 21 101.311 9.744 6.336 1.00 0.00 N ATOM 311 CA ALA A 21 99.823 9.775 6.260 1.00 0.00 C ATOM 312 C ALA A 21 99.323 8.485 5.608 1.00 0.00 C ATOM 313 O ALA A 21 99.833 8.052 4.593 1.00 0.00 O ATOM 314 CB ALA A 21 99.379 10.976 5.423 1.00 0.00 C ATOM 0 H ALA A 21 101.780 9.363 5.514 1.00 0.00 H new ATOM 0 HA ALA A 21 99.408 9.861 7.264 1.00 0.00 H new ATOM 0 HB1 ALA A 21 98.291 10.998 5.368 1.00 0.00 H new ATOM 0 HB2 ALA A 21 99.738 11.895 5.886 1.00 0.00 H new ATOM 0 HB3 ALA A 21 99.792 10.891 4.418 1.00 0.00 H new ATOM 320 N VAL A 22 98.331 7.863 6.185 1.00 0.00 N ATOM 321 CA VAL A 22 97.803 6.599 5.599 1.00 0.00 C ATOM 322 C VAL A 22 96.473 6.874 4.895 1.00 0.00 C ATOM 323 O VAL A 22 96.210 6.368 3.822 1.00 0.00 O ATOM 324 CB VAL A 22 97.587 5.575 6.713 1.00 0.00 C ATOM 325 CG1 VAL A 22 97.198 4.228 6.102 1.00 0.00 C ATOM 326 CG2 VAL A 22 98.882 5.415 7.514 1.00 0.00 C ATOM 0 H VAL A 22 97.864 8.176 7.036 1.00 0.00 H new ATOM 0 HA VAL A 22 98.519 6.208 4.877 1.00 0.00 H new ATOM 0 HB VAL A 22 96.789 5.918 7.372 1.00 0.00 H new ATOM 0 HG11 VAL A 22 97.044 3.499 6.897 1.00 0.00 H new ATOM 0 HG12 VAL A 22 96.277 4.340 5.530 1.00 0.00 H new ATOM 0 HG13 VAL A 22 97.995 3.884 5.443 1.00 0.00 H new ATOM 0 HG21 VAL A 22 98.730 4.685 8.309 1.00 0.00 H new ATOM 0 HG22 VAL A 22 99.678 5.072 6.854 1.00 0.00 H new ATOM 0 HG23 VAL A 22 99.161 6.374 7.950 1.00 0.00 H new ATOM 336 N PHE A 23 95.632 7.671 5.490 1.00 0.00 N ATOM 337 CA PHE A 23 94.318 7.979 4.859 1.00 0.00 C ATOM 338 C PHE A 23 94.347 9.397 4.284 1.00 0.00 C ATOM 339 O PHE A 23 93.430 10.171 4.471 1.00 0.00 O ATOM 340 CB PHE A 23 93.210 7.879 5.909 1.00 0.00 C ATOM 341 CG PHE A 23 92.883 6.427 6.163 1.00 0.00 C ATOM 342 CD1 PHE A 23 93.797 5.611 6.841 1.00 0.00 C ATOM 343 CD2 PHE A 23 91.663 5.898 5.725 1.00 0.00 C ATOM 344 CE1 PHE A 23 93.492 4.265 7.077 1.00 0.00 C ATOM 345 CE2 PHE A 23 91.358 4.553 5.962 1.00 0.00 C ATOM 346 CZ PHE A 23 92.272 3.736 6.639 1.00 0.00 C ATOM 0 H PHE A 23 95.798 8.124 6.389 1.00 0.00 H new ATOM 0 HA PHE A 23 94.125 7.265 4.058 1.00 0.00 H new ATOM 0 HB2 PHE A 23 93.528 8.358 6.835 1.00 0.00 H new ATOM 0 HB3 PHE A 23 92.321 8.408 5.566 1.00 0.00 H new ATOM 0 HD1 PHE A 23 94.737 6.020 7.182 1.00 0.00 H new ATOM 0 HD2 PHE A 23 90.957 6.528 5.204 1.00 0.00 H new ATOM 0 HE1 PHE A 23 94.198 3.635 7.597 1.00 0.00 H new ATOM 0 HE2 PHE A 23 90.417 4.145 5.623 1.00 0.00 H new ATOM 0 HZ PHE A 23 92.036 2.698 6.823 1.00 0.00 H new ATOM 356 N SER A 24 95.394 9.744 3.586 1.00 0.00 N ATOM 357 CA SER A 24 95.478 11.113 3.003 1.00 0.00 C ATOM 358 C SER A 24 94.440 11.257 1.889 1.00 0.00 C ATOM 359 O SER A 24 93.581 10.415 1.716 1.00 0.00 O ATOM 360 CB SER A 24 96.877 11.338 2.429 1.00 0.00 C ATOM 361 OG SER A 24 97.298 10.162 1.748 1.00 0.00 O ATOM 0 H SER A 24 96.193 9.140 3.395 1.00 0.00 H new ATOM 0 HA SER A 24 95.282 11.852 3.780 1.00 0.00 H new ATOM 0 HB2 SER A 24 96.870 12.186 1.745 1.00 0.00 H new ATOM 0 HB3 SER A 24 97.577 11.580 3.229 1.00 0.00 H new ATOM 0 HG SER A 24 98.194 10.302 1.377 1.00 0.00 H new ATOM 367 N ASN A 25 94.510 12.318 1.133 1.00 0.00 N ATOM 368 CA ASN A 25 93.525 12.513 0.032 1.00 0.00 C ATOM 369 C ASN A 25 94.259 12.927 -1.245 1.00 0.00 C ATOM 370 O ASN A 25 93.737 13.659 -2.062 1.00 0.00 O ATOM 371 CB ASN A 25 92.531 13.609 0.427 1.00 0.00 C ATOM 372 CG ASN A 25 93.294 14.817 0.973 1.00 0.00 C ATOM 373 OD1 ASN A 25 94.423 15.060 0.594 1.00 0.00 O ATOM 374 ND2 ASN A 25 92.722 15.594 1.852 1.00 0.00 N ATOM 0 H ASN A 25 95.206 13.058 1.230 1.00 0.00 H new ATOM 0 HA ASN A 25 92.989 11.581 -0.145 1.00 0.00 H new ATOM 0 HB2 ASN A 25 91.935 13.902 -0.437 1.00 0.00 H new ATOM 0 HB3 ASN A 25 91.838 13.232 1.180 1.00 0.00 H new ATOM 0 HD21 ASN A 25 93.222 16.403 2.219 1.00 0.00 H new ATOM 0 HD22 ASN A 25 91.775 15.392 2.171 1.00 0.00 H new ATOM 381 N ARG A 26 95.468 12.464 -1.426 1.00 0.00 N ATOM 382 CA ARG A 26 96.228 12.834 -2.653 1.00 0.00 C ATOM 383 C ARG A 26 96.553 11.572 -3.455 1.00 0.00 C ATOM 384 O ARG A 26 96.637 10.486 -2.916 1.00 0.00 O ATOM 385 CB ARG A 26 97.527 13.537 -2.254 1.00 0.00 C ATOM 386 CG ARG A 26 97.265 15.037 -2.104 1.00 0.00 C ATOM 387 CD ARG A 26 98.583 15.763 -1.833 1.00 0.00 C ATOM 388 NE ARG A 26 98.388 16.749 -0.732 1.00 0.00 N ATOM 389 CZ ARG A 26 98.335 16.340 0.507 1.00 0.00 C ATOM 390 NH1 ARG A 26 99.424 15.951 1.112 1.00 0.00 N ATOM 391 NH2 ARG A 26 97.195 16.322 1.139 1.00 0.00 N ATOM 0 H ARG A 26 95.960 11.848 -0.779 1.00 0.00 H new ATOM 0 HA ARG A 26 95.625 13.505 -3.265 1.00 0.00 H new ATOM 0 HB2 ARG A 26 97.903 13.126 -1.317 1.00 0.00 H new ATOM 0 HB3 ARG A 26 98.294 13.364 -3.009 1.00 0.00 H new ATOM 0 HG2 ARG A 26 96.802 15.428 -3.010 1.00 0.00 H new ATOM 0 HG3 ARG A 26 96.566 15.214 -1.287 1.00 0.00 H new ATOM 0 HD2 ARG A 26 99.357 15.045 -1.560 1.00 0.00 H new ATOM 0 HD3 ARG A 26 98.923 16.271 -2.735 1.00 0.00 H new ATOM 0 HE ARG A 26 98.296 17.742 -0.946 1.00 0.00 H new ATOM 0 HH11 ARG A 26 100.316 15.967 0.617 1.00 0.00 H new ATOM 0 HH12 ARG A 26 99.383 15.631 2.080 1.00 0.00 H new ATOM 0 HH21 ARG A 26 96.345 16.627 0.666 1.00 0.00 H new ATOM 0 HH22 ARG A 26 97.153 16.003 2.107 1.00 0.00 H new ATOM 405 N THR A 27 96.732 11.705 -4.741 1.00 0.00 N ATOM 406 CA THR A 27 97.046 10.514 -5.581 1.00 0.00 C ATOM 407 C THR A 27 98.561 10.303 -5.636 1.00 0.00 C ATOM 408 O THR A 27 99.293 11.110 -6.175 1.00 0.00 O ATOM 409 CB THR A 27 96.511 10.736 -6.997 1.00 0.00 C ATOM 410 OG1 THR A 27 96.347 12.128 -7.226 1.00 0.00 O ATOM 411 CG2 THR A 27 95.164 10.029 -7.154 1.00 0.00 C ATOM 0 H THR A 27 96.674 12.589 -5.247 1.00 0.00 H new ATOM 0 HA THR A 27 96.576 9.632 -5.146 1.00 0.00 H new ATOM 0 HB THR A 27 97.218 10.329 -7.720 1.00 0.00 H new ATOM 0 HG1 THR A 27 96.006 12.272 -8.133 1.00 0.00 H new ATOM 0 HG21 THR A 27 94.785 10.189 -8.163 1.00 0.00 H new ATOM 0 HG22 THR A 27 95.291 8.961 -6.979 1.00 0.00 H new ATOM 0 HG23 THR A 27 94.455 10.433 -6.432 1.00 0.00 H new ATOM 419 N LEU A 28 99.034 9.220 -5.084 1.00 0.00 N ATOM 420 CA LEU A 28 100.500 8.946 -5.102 1.00 0.00 C ATOM 421 C LEU A 28 100.788 7.781 -6.053 1.00 0.00 C ATOM 422 O LEU A 28 99.965 6.910 -6.246 1.00 0.00 O ATOM 423 CB LEU A 28 100.961 8.570 -3.692 1.00 0.00 C ATOM 424 CG LEU A 28 102.007 9.574 -3.205 1.00 0.00 C ATOM 425 CD1 LEU A 28 101.352 10.943 -3.017 1.00 0.00 C ATOM 426 CD2 LEU A 28 102.585 9.097 -1.870 1.00 0.00 C ATOM 0 H LEU A 28 98.467 8.510 -4.620 1.00 0.00 H new ATOM 0 HA LEU A 28 101.033 9.835 -5.439 1.00 0.00 H new ATOM 0 HB2 LEU A 28 100.109 8.559 -3.012 1.00 0.00 H new ATOM 0 HB3 LEU A 28 101.381 7.564 -3.693 1.00 0.00 H new ATOM 0 HG LEU A 28 102.807 9.653 -3.941 1.00 0.00 H new ATOM 0 HD11 LEU A 28 102.097 11.658 -2.670 1.00 0.00 H new ATOM 0 HD12 LEU A 28 100.938 11.282 -3.967 1.00 0.00 H new ATOM 0 HD13 LEU A 28 100.553 10.866 -2.280 1.00 0.00 H new ATOM 0 HD21 LEU A 28 103.331 9.811 -1.521 1.00 0.00 H new ATOM 0 HD22 LEU A 28 101.785 9.019 -1.134 1.00 0.00 H new ATOM 0 HD23 LEU A 28 103.052 8.121 -2.003 1.00 0.00 H new ATOM 438 N ALA A 29 101.952 7.754 -6.641 1.00 0.00 N ATOM 439 CA ALA A 29 102.296 6.639 -7.571 1.00 0.00 C ATOM 440 C ALA A 29 103.611 6.006 -7.115 1.00 0.00 C ATOM 441 O ALA A 29 104.286 5.330 -7.867 1.00 0.00 O ATOM 442 CB ALA A 29 102.454 7.179 -8.992 1.00 0.00 C ATOM 0 H ALA A 29 102.681 8.456 -6.518 1.00 0.00 H new ATOM 0 HA ALA A 29 101.501 5.894 -7.562 1.00 0.00 H new ATOM 0 HB1 ALA A 29 102.705 6.360 -9.666 1.00 0.00 H new ATOM 0 HB2 ALA A 29 101.519 7.639 -9.312 1.00 0.00 H new ATOM 0 HB3 ALA A 29 103.250 7.923 -9.012 1.00 0.00 H new ATOM 448 N CYS A 30 103.973 6.227 -5.885 1.00 0.00 N ATOM 449 CA CYS A 30 105.237 5.651 -5.353 1.00 0.00 C ATOM 450 C CYS A 30 105.018 5.286 -3.883 1.00 0.00 C ATOM 451 O CYS A 30 104.536 6.089 -3.107 1.00 0.00 O ATOM 452 CB CYS A 30 106.354 6.696 -5.478 1.00 0.00 C ATOM 453 SG CYS A 30 107.747 6.250 -4.409 1.00 0.00 S ATOM 0 H CYS A 30 103.442 6.788 -5.218 1.00 0.00 H new ATOM 0 HA CYS A 30 105.522 4.760 -5.913 1.00 0.00 H new ATOM 0 HB2 CYS A 30 106.687 6.761 -6.514 1.00 0.00 H new ATOM 0 HB3 CYS A 30 105.975 7.680 -5.202 1.00 0.00 H new ATOM 0 HG CYS A 30 108.252 7.326 -3.882 1.00 0.00 H new ATOM 459 N PHE A 31 105.351 4.088 -3.486 1.00 0.00 N ATOM 460 CA PHE A 31 105.131 3.710 -2.062 1.00 0.00 C ATOM 461 C PHE A 31 106.254 2.793 -1.568 1.00 0.00 C ATOM 462 O PHE A 31 106.945 2.147 -2.340 1.00 0.00 O ATOM 463 CB PHE A 31 103.795 2.978 -1.921 1.00 0.00 C ATOM 464 CG PHE A 31 102.752 3.600 -2.825 1.00 0.00 C ATOM 465 CD1 PHE A 31 102.872 3.498 -4.218 1.00 0.00 C ATOM 466 CD2 PHE A 31 101.654 4.264 -2.266 1.00 0.00 C ATOM 467 CE1 PHE A 31 101.896 4.063 -5.047 1.00 0.00 C ATOM 468 CE2 PHE A 31 100.678 4.824 -3.095 1.00 0.00 C ATOM 469 CZ PHE A 31 100.798 4.725 -4.485 1.00 0.00 C ATOM 0 H PHE A 31 105.760 3.364 -4.077 1.00 0.00 H new ATOM 0 HA PHE A 31 105.123 4.621 -1.463 1.00 0.00 H new ATOM 0 HB2 PHE A 31 103.922 1.925 -2.173 1.00 0.00 H new ATOM 0 HB3 PHE A 31 103.458 3.019 -0.885 1.00 0.00 H new ATOM 0 HD1 PHE A 31 103.717 2.984 -4.651 1.00 0.00 H new ATOM 0 HD2 PHE A 31 101.561 4.344 -1.193 1.00 0.00 H new ATOM 0 HE1 PHE A 31 101.990 3.988 -6.120 1.00 0.00 H new ATOM 0 HE2 PHE A 31 99.830 5.334 -2.662 1.00 0.00 H new ATOM 0 HZ PHE A 31 100.044 5.159 -5.125 1.00 0.00 H new ATOM 479 N ALA A 32 106.427 2.725 -0.275 1.00 0.00 N ATOM 480 CA ALA A 32 107.484 1.852 0.305 1.00 0.00 C ATOM 481 C ALA A 32 106.864 0.983 1.402 1.00 0.00 C ATOM 482 O ALA A 32 106.408 1.475 2.417 1.00 0.00 O ATOM 483 CB ALA A 32 108.593 2.719 0.906 1.00 0.00 C ATOM 0 H ALA A 32 105.875 3.243 0.409 1.00 0.00 H new ATOM 0 HA ALA A 32 107.907 1.218 -0.474 1.00 0.00 H new ATOM 0 HB1 ALA A 32 109.366 2.078 1.330 1.00 0.00 H new ATOM 0 HB2 ALA A 32 109.028 3.345 0.127 1.00 0.00 H new ATOM 0 HB3 ALA A 32 108.176 3.352 1.689 1.00 0.00 H new ATOM 489 N ILE A 33 106.835 -0.306 1.205 1.00 0.00 N ATOM 490 CA ILE A 33 106.240 -1.203 2.233 1.00 0.00 C ATOM 491 C ILE A 33 107.314 -1.621 3.236 1.00 0.00 C ATOM 492 O ILE A 33 108.420 -1.963 2.872 1.00 0.00 O ATOM 493 CB ILE A 33 105.678 -2.458 1.561 1.00 0.00 C ATOM 494 CG1 ILE A 33 104.700 -2.057 0.454 1.00 0.00 C ATOM 495 CG2 ILE A 33 104.951 -3.312 2.605 1.00 0.00 C ATOM 496 CD1 ILE A 33 103.733 -0.995 0.979 1.00 0.00 C ATOM 0 H ILE A 33 107.198 -0.776 0.376 1.00 0.00 H new ATOM 0 HA ILE A 33 105.441 -0.669 2.747 1.00 0.00 H new ATOM 0 HB ILE A 33 106.496 -3.033 1.126 1.00 0.00 H new ATOM 0 HG12 ILE A 33 105.248 -1.671 -0.406 1.00 0.00 H new ATOM 0 HG13 ILE A 33 104.145 -2.931 0.112 1.00 0.00 H new ATOM 0 HG21 ILE A 33 104.550 -4.206 2.128 1.00 0.00 H new ATOM 0 HG22 ILE A 33 105.650 -3.601 3.389 1.00 0.00 H new ATOM 0 HG23 ILE A 33 104.135 -2.736 3.041 1.00 0.00 H new ATOM 0 HD11 ILE A 33 103.039 -0.712 0.188 1.00 0.00 H new ATOM 0 HD12 ILE A 33 103.175 -1.397 1.825 1.00 0.00 H new ATOM 0 HD13 ILE A 33 104.295 -0.118 1.299 1.00 0.00 H new ATOM 508 N TYR A 34 106.986 -1.621 4.495 1.00 0.00 N ATOM 509 CA TYR A 34 107.970 -2.048 5.527 1.00 0.00 C ATOM 510 C TYR A 34 107.388 -3.254 6.254 1.00 0.00 C ATOM 511 O TYR A 34 106.419 -3.141 6.977 1.00 0.00 O ATOM 512 CB TYR A 34 108.213 -0.916 6.526 1.00 0.00 C ATOM 513 CG TYR A 34 109.100 -1.421 7.639 1.00 0.00 C ATOM 514 CD1 TYR A 34 110.070 -2.395 7.370 1.00 0.00 C ATOM 515 CD2 TYR A 34 108.952 -0.922 8.938 1.00 0.00 C ATOM 516 CE1 TYR A 34 110.893 -2.867 8.398 1.00 0.00 C ATOM 517 CE2 TYR A 34 109.774 -1.394 9.967 1.00 0.00 C ATOM 518 CZ TYR A 34 110.744 -2.367 9.697 1.00 0.00 C ATOM 519 OH TYR A 34 111.554 -2.833 10.712 1.00 0.00 O ATOM 0 H TYR A 34 106.074 -1.342 4.857 1.00 0.00 H new ATOM 0 HA TYR A 34 108.920 -2.301 5.057 1.00 0.00 H new ATOM 0 HB2 TYR A 34 108.682 -0.068 6.027 1.00 0.00 H new ATOM 0 HB3 TYR A 34 107.265 -0.563 6.932 1.00 0.00 H new ATOM 0 HD1 TYR A 34 110.183 -2.782 6.368 1.00 0.00 H new ATOM 0 HD2 TYR A 34 108.203 -0.172 9.146 1.00 0.00 H new ATOM 0 HE1 TYR A 34 111.642 -3.616 8.190 1.00 0.00 H new ATOM 0 HE2 TYR A 34 109.660 -1.008 10.969 1.00 0.00 H new ATOM 0 HH TYR A 34 111.672 -2.131 11.385 1.00 0.00 H new ATOM 529 N THR A 35 107.943 -4.415 6.051 1.00 0.00 N ATOM 530 CA THR A 35 107.373 -5.617 6.724 1.00 0.00 C ATOM 531 C THR A 35 108.441 -6.700 6.865 1.00 0.00 C ATOM 532 O THR A 35 109.427 -6.713 6.154 1.00 0.00 O ATOM 533 CB THR A 35 106.214 -6.164 5.882 1.00 0.00 C ATOM 534 OG1 THR A 35 106.712 -7.141 4.979 1.00 0.00 O ATOM 535 CG2 THR A 35 105.559 -5.029 5.092 1.00 0.00 C ATOM 0 H THR A 35 108.755 -4.585 5.457 1.00 0.00 H new ATOM 0 HA THR A 35 107.018 -5.334 7.715 1.00 0.00 H new ATOM 0 HB THR A 35 105.472 -6.613 6.542 1.00 0.00 H new ATOM 0 HG1 THR A 35 106.527 -6.860 4.059 1.00 0.00 H new ATOM 0 HG21 THR A 35 104.737 -5.427 4.497 1.00 0.00 H new ATOM 0 HG22 THR A 35 105.176 -4.278 5.783 1.00 0.00 H new ATOM 0 HG23 THR A 35 106.297 -4.572 4.432 1.00 0.00 H new ATOM 543 N THR A 36 108.246 -7.617 7.774 1.00 0.00 N ATOM 544 CA THR A 36 109.243 -8.710 7.954 1.00 0.00 C ATOM 545 C THR A 36 109.650 -9.239 6.577 1.00 0.00 C ATOM 546 O THR A 36 108.939 -9.075 5.607 1.00 0.00 O ATOM 547 CB THR A 36 108.622 -9.849 8.771 1.00 0.00 C ATOM 548 OG1 THR A 36 107.776 -10.623 7.932 1.00 0.00 O ATOM 549 CG2 THR A 36 107.803 -9.274 9.930 1.00 0.00 C ATOM 0 H THR A 36 107.441 -7.656 8.399 1.00 0.00 H new ATOM 0 HA THR A 36 110.116 -8.326 8.481 1.00 0.00 H new ATOM 0 HB THR A 36 109.417 -10.478 9.173 1.00 0.00 H new ATOM 0 HG1 THR A 36 108.089 -11.552 7.919 1.00 0.00 H new ATOM 0 HG21 THR A 36 107.365 -10.089 10.506 1.00 0.00 H new ATOM 0 HG22 THR A 36 108.452 -8.682 10.575 1.00 0.00 H new ATOM 0 HG23 THR A 36 107.008 -8.641 9.535 1.00 0.00 H new ATOM 557 N LYS A 37 110.786 -9.871 6.481 1.00 0.00 N ATOM 558 CA LYS A 37 111.227 -10.405 5.166 1.00 0.00 C ATOM 559 C LYS A 37 110.177 -11.381 4.629 1.00 0.00 C ATOM 560 O LYS A 37 109.843 -11.369 3.460 1.00 0.00 O ATOM 561 CB LYS A 37 112.560 -11.131 5.346 1.00 0.00 C ATOM 562 CG LYS A 37 112.345 -12.401 6.170 1.00 0.00 C ATOM 563 CD LYS A 37 113.696 -12.919 6.671 1.00 0.00 C ATOM 564 CE LYS A 37 114.022 -14.246 5.983 1.00 0.00 C ATOM 565 NZ LYS A 37 115.494 -14.479 6.025 1.00 0.00 N ATOM 0 H LYS A 37 111.427 -10.040 7.256 1.00 0.00 H new ATOM 0 HA LYS A 37 111.347 -9.586 4.457 1.00 0.00 H new ATOM 0 HB2 LYS A 37 112.982 -11.384 4.373 1.00 0.00 H new ATOM 0 HB3 LYS A 37 113.277 -10.479 5.845 1.00 0.00 H new ATOM 0 HG2 LYS A 37 111.688 -12.193 7.014 1.00 0.00 H new ATOM 0 HG3 LYS A 37 111.854 -13.162 5.564 1.00 0.00 H new ATOM 0 HD2 LYS A 37 114.477 -12.188 6.463 1.00 0.00 H new ATOM 0 HD3 LYS A 37 113.667 -13.055 7.752 1.00 0.00 H new ATOM 0 HE2 LYS A 37 113.499 -15.063 6.480 1.00 0.00 H new ATOM 0 HE3 LYS A 37 113.675 -14.227 4.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 115.716 -15.381 5.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 115.982 -13.704 5.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 115.812 -14.515 7.015 1.00 0.00 H new ATOM 579 N GLU A 38 109.656 -12.229 5.474 1.00 0.00 N ATOM 580 CA GLU A 38 108.634 -13.210 5.021 1.00 0.00 C ATOM 581 C GLU A 38 107.490 -12.484 4.305 1.00 0.00 C ATOM 582 O GLU A 38 106.824 -13.045 3.458 1.00 0.00 O ATOM 583 CB GLU A 38 108.079 -13.962 6.234 1.00 0.00 C ATOM 584 CG GLU A 38 107.797 -15.416 5.850 1.00 0.00 C ATOM 585 CD GLU A 38 108.366 -16.347 6.922 1.00 0.00 C ATOM 586 OE1 GLU A 38 108.727 -15.854 7.978 1.00 0.00 O ATOM 587 OE2 GLU A 38 108.431 -17.540 6.669 1.00 0.00 O ATOM 0 H GLU A 38 109.897 -12.283 6.464 1.00 0.00 H new ATOM 0 HA GLU A 38 109.097 -13.915 4.330 1.00 0.00 H new ATOM 0 HB2 GLU A 38 108.793 -13.924 7.056 1.00 0.00 H new ATOM 0 HB3 GLU A 38 107.164 -13.484 6.584 1.00 0.00 H new ATOM 0 HG2 GLU A 38 106.723 -15.575 5.748 1.00 0.00 H new ATOM 0 HG3 GLU A 38 108.246 -15.641 4.882 1.00 0.00 H new ATOM 594 N LYS A 39 107.252 -11.245 4.641 1.00 0.00 N ATOM 595 CA LYS A 39 106.144 -10.496 3.980 1.00 0.00 C ATOM 596 C LYS A 39 106.666 -9.799 2.721 1.00 0.00 C ATOM 597 O LYS A 39 106.185 -10.032 1.630 1.00 0.00 O ATOM 598 CB LYS A 39 105.589 -9.449 4.947 1.00 0.00 C ATOM 599 CG LYS A 39 104.377 -10.023 5.683 1.00 0.00 C ATOM 600 CD LYS A 39 104.650 -10.031 7.188 1.00 0.00 C ATOM 601 CE LYS A 39 104.290 -11.402 7.764 1.00 0.00 C ATOM 602 NZ LYS A 39 105.529 -12.083 8.233 1.00 0.00 N ATOM 0 H LYS A 39 107.775 -10.720 5.342 1.00 0.00 H new ATOM 0 HA LYS A 39 105.354 -11.195 3.703 1.00 0.00 H new ATOM 0 HB2 LYS A 39 106.357 -9.157 5.663 1.00 0.00 H new ATOM 0 HB3 LYS A 39 105.304 -8.550 4.401 1.00 0.00 H new ATOM 0 HG2 LYS A 39 103.491 -9.426 5.467 1.00 0.00 H new ATOM 0 HG3 LYS A 39 104.173 -11.035 5.334 1.00 0.00 H new ATOM 0 HD2 LYS A 39 105.700 -9.809 7.379 1.00 0.00 H new ATOM 0 HD3 LYS A 39 104.065 -9.253 7.679 1.00 0.00 H new ATOM 0 HE2 LYS A 39 103.589 -11.288 8.591 1.00 0.00 H new ATOM 0 HE3 LYS A 39 103.793 -12.008 7.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 105.800 -12.819 7.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 106.298 -11.387 8.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 105.356 -12.519 9.161 1.00 0.00 H new ATOM 616 N ALA A 40 107.642 -8.942 2.860 1.00 0.00 N ATOM 617 CA ALA A 40 108.182 -8.233 1.665 1.00 0.00 C ATOM 618 C ALA A 40 108.366 -9.232 0.523 1.00 0.00 C ATOM 619 O ALA A 40 108.310 -8.879 -0.637 1.00 0.00 O ATOM 620 CB ALA A 40 109.534 -7.601 2.006 1.00 0.00 C ATOM 0 H ALA A 40 108.087 -8.703 3.746 1.00 0.00 H new ATOM 0 HA ALA A 40 107.483 -7.453 1.363 1.00 0.00 H new ATOM 0 HB1 ALA A 40 109.925 -7.084 1.130 1.00 0.00 H new ATOM 0 HB2 ALA A 40 109.407 -6.889 2.821 1.00 0.00 H new ATOM 0 HB3 ALA A 40 110.233 -8.380 2.310 1.00 0.00 H new ATOM 626 N ALA A 41 108.590 -10.479 0.840 1.00 0.00 N ATOM 627 CA ALA A 41 108.776 -11.495 -0.232 1.00 0.00 C ATOM 628 C ALA A 41 107.461 -11.678 -0.990 1.00 0.00 C ATOM 629 O ALA A 41 107.419 -11.649 -2.204 1.00 0.00 O ATOM 630 CB ALA A 41 109.196 -12.827 0.393 1.00 0.00 C ATOM 0 H ALA A 41 108.652 -10.836 1.793 1.00 0.00 H new ATOM 0 HA ALA A 41 109.551 -11.160 -0.922 1.00 0.00 H new ATOM 0 HB1 ALA A 41 109.332 -13.571 -0.392 1.00 0.00 H new ATOM 0 HB2 ALA A 41 110.133 -12.696 0.934 1.00 0.00 H new ATOM 0 HB3 ALA A 41 108.423 -13.165 1.083 1.00 0.00 H new ATOM 636 N LEU A 42 106.388 -11.871 -0.278 1.00 0.00 N ATOM 637 CA LEU A 42 105.070 -12.061 -0.941 1.00 0.00 C ATOM 638 C LEU A 42 104.693 -10.795 -1.715 1.00 0.00 C ATOM 639 O LEU A 42 104.481 -10.827 -2.910 1.00 0.00 O ATOM 640 CB LEU A 42 104.007 -12.337 0.126 1.00 0.00 C ATOM 641 CG LEU A 42 104.123 -13.781 0.629 1.00 0.00 C ATOM 642 CD1 LEU A 42 103.461 -14.728 -0.371 1.00 0.00 C ATOM 643 CD2 LEU A 42 105.598 -14.166 0.794 1.00 0.00 C ATOM 0 H LEU A 42 106.367 -11.906 0.741 1.00 0.00 H new ATOM 0 HA LEU A 42 105.129 -12.902 -1.632 1.00 0.00 H new ATOM 0 HB2 LEU A 42 104.128 -11.644 0.958 1.00 0.00 H new ATOM 0 HB3 LEU A 42 103.013 -12.167 -0.288 1.00 0.00 H new ATOM 0 HG LEU A 42 103.623 -13.859 1.594 1.00 0.00 H new ATOM 0 HD11 LEU A 42 103.545 -15.754 -0.011 1.00 0.00 H new ATOM 0 HD12 LEU A 42 102.408 -14.466 -0.478 1.00 0.00 H new ATOM 0 HD13 LEU A 42 103.957 -14.641 -1.338 1.00 0.00 H new ATOM 0 HD21 LEU A 42 105.668 -15.193 1.152 1.00 0.00 H new ATOM 0 HD22 LEU A 42 106.106 -14.081 -0.167 1.00 0.00 H new ATOM 0 HD23 LEU A 42 106.070 -13.498 1.515 1.00 0.00 H new ATOM 655 N LEU A 43 104.598 -9.681 -1.041 1.00 0.00 N ATOM 656 CA LEU A 43 104.221 -8.414 -1.734 1.00 0.00 C ATOM 657 C LEU A 43 105.140 -8.177 -2.933 1.00 0.00 C ATOM 658 O LEU A 43 104.718 -7.689 -3.961 1.00 0.00 O ATOM 659 CB LEU A 43 104.343 -7.242 -0.755 1.00 0.00 C ATOM 660 CG LEU A 43 103.740 -7.634 0.597 1.00 0.00 C ATOM 661 CD1 LEU A 43 103.512 -6.377 1.437 1.00 0.00 C ATOM 662 CD2 LEU A 43 102.401 -8.346 0.378 1.00 0.00 C ATOM 0 H LEU A 43 104.765 -9.593 -0.039 1.00 0.00 H new ATOM 0 HA LEU A 43 103.192 -8.492 -2.086 1.00 0.00 H new ATOM 0 HB2 LEU A 43 105.390 -6.967 -0.631 1.00 0.00 H new ATOM 0 HB3 LEU A 43 103.829 -6.368 -1.154 1.00 0.00 H new ATOM 0 HG LEU A 43 104.426 -8.303 1.116 1.00 0.00 H new ATOM 0 HD11 LEU A 43 103.083 -6.655 2.399 1.00 0.00 H new ATOM 0 HD12 LEU A 43 104.463 -5.869 1.597 1.00 0.00 H new ATOM 0 HD13 LEU A 43 102.827 -5.709 0.914 1.00 0.00 H new ATOM 0 HD21 LEU A 43 101.975 -8.624 1.342 1.00 0.00 H new ATOM 0 HD22 LEU A 43 101.715 -7.679 -0.144 1.00 0.00 H new ATOM 0 HD23 LEU A 43 102.560 -9.243 -0.220 1.00 0.00 H new ATOM 674 N TYR A 44 106.388 -8.520 -2.817 1.00 0.00 N ATOM 675 CA TYR A 44 107.317 -8.313 -3.961 1.00 0.00 C ATOM 676 C TYR A 44 106.772 -9.057 -5.184 1.00 0.00 C ATOM 677 O TYR A 44 106.459 -8.466 -6.197 1.00 0.00 O ATOM 678 CB TYR A 44 108.704 -8.858 -3.592 1.00 0.00 C ATOM 679 CG TYR A 44 109.753 -8.409 -4.597 1.00 0.00 C ATOM 680 CD1 TYR A 44 109.628 -8.747 -5.950 1.00 0.00 C ATOM 681 CD2 TYR A 44 110.871 -7.682 -4.164 1.00 0.00 C ATOM 682 CE1 TYR A 44 110.611 -8.355 -6.866 1.00 0.00 C ATOM 683 CE2 TYR A 44 111.858 -7.294 -5.079 1.00 0.00 C ATOM 684 CZ TYR A 44 111.728 -7.633 -6.433 1.00 0.00 C ATOM 685 OH TYR A 44 112.695 -7.252 -7.342 1.00 0.00 O ATOM 0 H TYR A 44 106.806 -8.933 -1.984 1.00 0.00 H new ATOM 0 HA TYR A 44 107.400 -7.250 -4.189 1.00 0.00 H new ATOM 0 HB2 TYR A 44 108.980 -8.514 -2.595 1.00 0.00 H new ATOM 0 HB3 TYR A 44 108.673 -9.947 -3.556 1.00 0.00 H new ATOM 0 HD1 TYR A 44 108.771 -9.311 -6.288 1.00 0.00 H new ATOM 0 HD2 TYR A 44 110.972 -7.420 -3.121 1.00 0.00 H new ATOM 0 HE1 TYR A 44 110.507 -8.611 -7.910 1.00 0.00 H new ATOM 0 HE2 TYR A 44 112.718 -6.734 -4.742 1.00 0.00 H new ATOM 0 HH TYR A 44 113.141 -6.440 -7.024 1.00 0.00 H new ATOM 695 N LYS A 45 106.658 -10.353 -5.096 1.00 0.00 N ATOM 696 CA LYS A 45 106.145 -11.140 -6.255 1.00 0.00 C ATOM 697 C LYS A 45 104.657 -10.849 -6.490 1.00 0.00 C ATOM 698 O LYS A 45 104.101 -11.231 -7.499 1.00 0.00 O ATOM 699 CB LYS A 45 106.331 -12.632 -5.974 1.00 0.00 C ATOM 700 CG LYS A 45 105.574 -13.012 -4.699 1.00 0.00 C ATOM 701 CD LYS A 45 105.995 -14.414 -4.254 1.00 0.00 C ATOM 702 CE LYS A 45 104.760 -15.309 -4.141 1.00 0.00 C ATOM 703 NZ LYS A 45 104.914 -16.487 -5.041 1.00 0.00 N ATOM 0 H LYS A 45 106.898 -10.903 -4.271 1.00 0.00 H new ATOM 0 HA LYS A 45 106.702 -10.855 -7.147 1.00 0.00 H new ATOM 0 HB2 LYS A 45 105.964 -13.219 -6.816 1.00 0.00 H new ATOM 0 HB3 LYS A 45 107.391 -12.862 -5.862 1.00 0.00 H new ATOM 0 HG2 LYS A 45 105.784 -12.290 -3.910 1.00 0.00 H new ATOM 0 HG3 LYS A 45 104.499 -12.984 -4.879 1.00 0.00 H new ATOM 0 HD2 LYS A 45 106.699 -14.838 -4.970 1.00 0.00 H new ATOM 0 HD3 LYS A 45 106.509 -14.363 -3.294 1.00 0.00 H new ATOM 0 HE2 LYS A 45 104.631 -15.640 -3.111 1.00 0.00 H new ATOM 0 HE3 LYS A 45 103.865 -14.747 -4.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 104.074 -17.095 -4.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 105.017 -16.162 -6.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 105.759 -17.027 -4.765 1.00 0.00 H new ATOM 717 N LYS A 46 104.002 -10.183 -5.576 1.00 0.00 N ATOM 718 CA LYS A 46 102.552 -9.891 -5.779 1.00 0.00 C ATOM 719 C LYS A 46 102.391 -8.547 -6.501 1.00 0.00 C ATOM 720 O LYS A 46 102.070 -8.501 -7.670 1.00 0.00 O ATOM 721 CB LYS A 46 101.842 -9.841 -4.424 1.00 0.00 C ATOM 722 CG LYS A 46 101.692 -11.263 -3.875 1.00 0.00 C ATOM 723 CD LYS A 46 100.718 -11.255 -2.696 1.00 0.00 C ATOM 724 CE LYS A 46 100.737 -12.622 -2.009 1.00 0.00 C ATOM 725 NZ LYS A 46 99.438 -13.313 -2.243 1.00 0.00 N ATOM 0 H LYS A 46 104.403 -9.832 -4.706 1.00 0.00 H new ATOM 0 HA LYS A 46 102.108 -10.679 -6.387 1.00 0.00 H new ATOM 0 HB2 LYS A 46 102.411 -9.228 -3.725 1.00 0.00 H new ATOM 0 HB3 LYS A 46 100.862 -9.376 -4.531 1.00 0.00 H new ATOM 0 HG2 LYS A 46 101.328 -11.929 -4.657 1.00 0.00 H new ATOM 0 HG3 LYS A 46 102.662 -11.645 -3.557 1.00 0.00 H new ATOM 0 HD2 LYS A 46 100.996 -10.476 -1.986 1.00 0.00 H new ATOM 0 HD3 LYS A 46 99.711 -11.025 -3.044 1.00 0.00 H new ATOM 0 HE2 LYS A 46 101.557 -13.225 -2.398 1.00 0.00 H new ATOM 0 HE3 LYS A 46 100.910 -12.501 -0.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 99.450 -14.242 -1.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 98.664 -12.739 -1.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 99.292 -13.441 -3.265 1.00 0.00 H new ATOM 739 N ILE A 47 102.608 -7.457 -5.815 1.00 0.00 N ATOM 740 CA ILE A 47 102.466 -6.119 -6.466 1.00 0.00 C ATOM 741 C ILE A 47 103.288 -6.089 -7.763 1.00 0.00 C ATOM 742 O ILE A 47 102.977 -5.364 -8.688 1.00 0.00 O ATOM 743 CB ILE A 47 102.975 -5.031 -5.506 1.00 0.00 C ATOM 744 CG1 ILE A 47 101.910 -4.784 -4.432 1.00 0.00 C ATOM 745 CG2 ILE A 47 103.236 -3.732 -6.278 1.00 0.00 C ATOM 746 CD1 ILE A 47 102.039 -3.371 -3.849 1.00 0.00 C ATOM 0 H ILE A 47 102.878 -7.434 -4.832 1.00 0.00 H new ATOM 0 HA ILE A 47 101.418 -5.936 -6.701 1.00 0.00 H new ATOM 0 HB ILE A 47 103.905 -5.358 -5.042 1.00 0.00 H new ATOM 0 HG12 ILE A 47 100.917 -4.915 -4.862 1.00 0.00 H new ATOM 0 HG13 ILE A 47 102.013 -5.521 -3.636 1.00 0.00 H new ATOM 0 HG21 ILE A 47 103.596 -2.966 -5.591 1.00 0.00 H new ATOM 0 HG22 ILE A 47 103.987 -3.911 -7.048 1.00 0.00 H new ATOM 0 HG23 ILE A 47 102.311 -3.394 -6.745 1.00 0.00 H new ATOM 0 HD11 ILE A 47 101.272 -3.220 -3.089 1.00 0.00 H new ATOM 0 HD12 ILE A 47 103.025 -3.252 -3.399 1.00 0.00 H new ATOM 0 HD13 ILE A 47 101.912 -2.636 -4.644 1.00 0.00 H new ATOM 758 N MET A 48 104.343 -6.857 -7.829 1.00 0.00 N ATOM 759 CA MET A 48 105.202 -6.863 -9.052 1.00 0.00 C ATOM 760 C MET A 48 104.341 -6.808 -10.319 1.00 0.00 C ATOM 761 O MET A 48 104.781 -6.347 -11.354 1.00 0.00 O ATOM 762 CB MET A 48 106.050 -8.137 -9.075 1.00 0.00 C ATOM 763 CG MET A 48 106.843 -8.203 -10.381 1.00 0.00 C ATOM 764 SD MET A 48 107.544 -9.860 -10.579 1.00 0.00 S ATOM 765 CE MET A 48 108.836 -9.712 -9.320 1.00 0.00 C ATOM 0 H MET A 48 104.649 -7.484 -7.085 1.00 0.00 H new ATOM 0 HA MET A 48 105.847 -5.985 -9.026 1.00 0.00 H new ATOM 0 HB2 MET A 48 106.731 -8.148 -8.224 1.00 0.00 H new ATOM 0 HB3 MET A 48 105.409 -9.014 -8.982 1.00 0.00 H new ATOM 0 HG2 MET A 48 106.194 -7.968 -11.225 1.00 0.00 H new ATOM 0 HG3 MET A 48 107.639 -7.458 -10.374 1.00 0.00 H new ATOM 0 HE1 MET A 48 109.590 -10.483 -9.480 1.00 0.00 H new ATOM 0 HE2 MET A 48 109.302 -8.729 -9.390 1.00 0.00 H new ATOM 0 HE3 MET A 48 108.396 -9.835 -8.331 1.00 0.00 H new ATOM 775 N GLU A 49 103.127 -7.282 -10.261 1.00 0.00 N ATOM 776 CA GLU A 49 102.266 -7.258 -11.478 1.00 0.00 C ATOM 777 C GLU A 49 100.938 -6.560 -11.171 1.00 0.00 C ATOM 778 O GLU A 49 100.160 -6.276 -12.059 1.00 0.00 O ATOM 779 CB GLU A 49 101.992 -8.693 -11.931 1.00 0.00 C ATOM 780 CG GLU A 49 103.051 -9.119 -12.949 1.00 0.00 C ATOM 781 CD GLU A 49 103.739 -10.397 -12.464 1.00 0.00 C ATOM 782 OE1 GLU A 49 104.600 -10.294 -11.606 1.00 0.00 O ATOM 783 OE2 GLU A 49 103.394 -11.457 -12.960 1.00 0.00 O ATOM 0 H GLU A 49 102.695 -7.683 -9.428 1.00 0.00 H new ATOM 0 HA GLU A 49 102.780 -6.711 -12.268 1.00 0.00 H new ATOM 0 HB2 GLU A 49 102.006 -9.365 -11.073 1.00 0.00 H new ATOM 0 HB3 GLU A 49 100.998 -8.762 -12.374 1.00 0.00 H new ATOM 0 HG2 GLU A 49 102.589 -9.289 -13.921 1.00 0.00 H new ATOM 0 HG3 GLU A 49 103.786 -8.325 -13.080 1.00 0.00 H new ATOM 790 N LYS A 50 100.668 -6.286 -9.926 1.00 0.00 N ATOM 791 CA LYS A 50 99.384 -5.613 -9.581 1.00 0.00 C ATOM 792 C LYS A 50 99.497 -4.109 -9.845 1.00 0.00 C ATOM 793 O LYS A 50 98.506 -3.416 -9.962 1.00 0.00 O ATOM 794 CB LYS A 50 99.062 -5.845 -8.105 1.00 0.00 C ATOM 795 CG LYS A 50 97.706 -5.219 -7.781 1.00 0.00 C ATOM 796 CD LYS A 50 96.673 -6.324 -7.549 1.00 0.00 C ATOM 797 CE LYS A 50 97.049 -7.121 -6.299 1.00 0.00 C ATOM 798 NZ LYS A 50 96.135 -8.290 -6.160 1.00 0.00 N ATOM 0 H LYS A 50 101.277 -6.497 -9.135 1.00 0.00 H new ATOM 0 HA LYS A 50 98.588 -6.029 -10.198 1.00 0.00 H new ATOM 0 HB2 LYS A 50 99.044 -6.913 -7.888 1.00 0.00 H new ATOM 0 HB3 LYS A 50 99.838 -5.406 -7.478 1.00 0.00 H new ATOM 0 HG2 LYS A 50 97.787 -4.591 -6.894 1.00 0.00 H new ATOM 0 HG3 LYS A 50 97.387 -4.575 -8.600 1.00 0.00 H new ATOM 0 HD2 LYS A 50 95.680 -5.889 -7.431 1.00 0.00 H new ATOM 0 HD3 LYS A 50 96.631 -6.984 -8.415 1.00 0.00 H new ATOM 0 HE2 LYS A 50 98.082 -7.460 -6.369 1.00 0.00 H new ATOM 0 HE3 LYS A 50 96.981 -6.486 -5.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 96.391 -8.832 -5.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 95.154 -7.955 -6.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 96.221 -8.900 -6.998 1.00 0.00 H new ATOM 812 N TYR A 51 100.693 -3.597 -9.940 1.00 0.00 N ATOM 813 CA TYR A 51 100.857 -2.138 -10.194 1.00 0.00 C ATOM 814 C TYR A 51 101.996 -1.910 -11.186 1.00 0.00 C ATOM 815 O TYR A 51 102.542 -0.830 -11.266 1.00 0.00 O ATOM 816 CB TYR A 51 101.205 -1.423 -8.886 1.00 0.00 C ATOM 817 CG TYR A 51 100.031 -1.462 -7.943 1.00 0.00 C ATOM 818 CD1 TYR A 51 99.868 -2.544 -7.071 1.00 0.00 C ATOM 819 CD2 TYR A 51 99.110 -0.408 -7.928 1.00 0.00 C ATOM 820 CE1 TYR A 51 98.789 -2.572 -6.187 1.00 0.00 C ATOM 821 CE2 TYR A 51 98.029 -0.435 -7.043 1.00 0.00 C ATOM 822 CZ TYR A 51 97.868 -1.517 -6.169 1.00 0.00 C ATOM 823 OH TYR A 51 96.802 -1.545 -5.294 1.00 0.00 O ATOM 0 H TYR A 51 101.562 -4.124 -9.853 1.00 0.00 H new ATOM 0 HA TYR A 51 99.924 -1.746 -10.600 1.00 0.00 H new ATOM 0 HB2 TYR A 51 102.069 -1.898 -8.422 1.00 0.00 H new ATOM 0 HB3 TYR A 51 101.482 -0.389 -9.091 1.00 0.00 H new ATOM 0 HD1 TYR A 51 100.578 -3.358 -7.082 1.00 0.00 H new ATOM 0 HD2 TYR A 51 99.235 0.427 -8.601 1.00 0.00 H new ATOM 0 HE1 TYR A 51 98.664 -3.409 -5.515 1.00 0.00 H new ATOM 0 HE2 TYR A 51 97.318 0.378 -7.033 1.00 0.00 H new ATOM 0 HH TYR A 51 96.261 -0.736 -5.411 1.00 0.00 H new ATOM 833 N SER A 52 102.375 -2.913 -11.931 1.00 0.00 N ATOM 834 CA SER A 52 103.498 -2.723 -12.895 1.00 0.00 C ATOM 835 C SER A 52 104.625 -1.983 -12.174 1.00 0.00 C ATOM 836 O SER A 52 105.128 -0.981 -12.641 1.00 0.00 O ATOM 837 CB SER A 52 103.020 -1.895 -14.089 1.00 0.00 C ATOM 838 OG SER A 52 102.755 -2.760 -15.184 1.00 0.00 O ATOM 0 H SER A 52 101.962 -3.845 -11.916 1.00 0.00 H new ATOM 0 HA SER A 52 103.851 -3.689 -13.257 1.00 0.00 H new ATOM 0 HB2 SER A 52 102.121 -1.339 -13.824 1.00 0.00 H new ATOM 0 HB3 SER A 52 103.778 -1.162 -14.365 1.00 0.00 H new ATOM 0 HG SER A 52 102.447 -2.233 -15.950 1.00 0.00 H new ATOM 844 N VAL A 53 104.996 -2.470 -11.019 1.00 0.00 N ATOM 845 CA VAL A 53 106.067 -1.817 -10.207 1.00 0.00 C ATOM 846 C VAL A 53 107.126 -1.169 -11.096 1.00 0.00 C ATOM 847 O VAL A 53 107.835 -1.833 -11.826 1.00 0.00 O ATOM 848 CB VAL A 53 106.742 -2.865 -9.326 1.00 0.00 C ATOM 849 CG1 VAL A 53 105.780 -3.305 -8.224 1.00 0.00 C ATOM 850 CG2 VAL A 53 107.129 -4.077 -10.178 1.00 0.00 C ATOM 0 H VAL A 53 104.595 -3.307 -10.596 1.00 0.00 H new ATOM 0 HA VAL A 53 105.602 -1.041 -9.599 1.00 0.00 H new ATOM 0 HB VAL A 53 107.637 -2.436 -8.876 1.00 0.00 H new ATOM 0 HG11 VAL A 53 106.264 -4.053 -7.596 1.00 0.00 H new ATOM 0 HG12 VAL A 53 105.505 -2.443 -7.616 1.00 0.00 H new ATOM 0 HG13 VAL A 53 104.884 -3.733 -8.673 1.00 0.00 H new ATOM 0 HG21 VAL A 53 107.611 -4.825 -9.549 1.00 0.00 H new ATOM 0 HG22 VAL A 53 106.234 -4.505 -10.630 1.00 0.00 H new ATOM 0 HG23 VAL A 53 107.818 -3.765 -10.963 1.00 0.00 H new ATOM 860 N THR A 54 107.267 0.126 -11.004 1.00 0.00 N ATOM 861 CA THR A 54 108.314 0.816 -11.807 1.00 0.00 C ATOM 862 C THR A 54 109.677 0.337 -11.306 1.00 0.00 C ATOM 863 O THR A 54 110.696 0.537 -11.937 1.00 0.00 O ATOM 864 CB THR A 54 108.193 2.330 -11.614 1.00 0.00 C ATOM 865 OG1 THR A 54 106.857 2.656 -11.257 1.00 0.00 O ATOM 866 CG2 THR A 54 108.565 3.042 -12.916 1.00 0.00 C ATOM 0 H THR A 54 106.704 0.733 -10.409 1.00 0.00 H new ATOM 0 HA THR A 54 108.197 0.589 -12.867 1.00 0.00 H new ATOM 0 HB THR A 54 108.868 2.651 -10.821 1.00 0.00 H new ATOM 0 HG1 THR A 54 106.738 3.628 -11.287 1.00 0.00 H new ATOM 0 HG21 THR A 54 108.479 4.120 -12.779 1.00 0.00 H new ATOM 0 HG22 THR A 54 109.591 2.792 -13.187 1.00 0.00 H new ATOM 0 HG23 THR A 54 107.891 2.723 -13.711 1.00 0.00 H new ATOM 874 N PHE A 55 109.686 -0.301 -10.167 1.00 0.00 N ATOM 875 CA PHE A 55 110.949 -0.816 -9.582 1.00 0.00 C ATOM 876 C PHE A 55 110.603 -1.538 -8.288 1.00 0.00 C ATOM 877 O PHE A 55 109.986 -0.973 -7.412 1.00 0.00 O ATOM 878 CB PHE A 55 111.881 0.349 -9.265 1.00 0.00 C ATOM 879 CG PHE A 55 113.006 -0.125 -8.372 1.00 0.00 C ATOM 880 CD1 PHE A 55 113.434 -1.458 -8.399 1.00 0.00 C ATOM 881 CD2 PHE A 55 113.611 0.778 -7.515 1.00 0.00 C ATOM 882 CE1 PHE A 55 114.475 -1.874 -7.561 1.00 0.00 C ATOM 883 CE2 PHE A 55 114.648 0.371 -6.674 1.00 0.00 C ATOM 884 CZ PHE A 55 115.083 -0.957 -6.696 1.00 0.00 C ATOM 0 H PHE A 55 108.853 -0.489 -9.609 1.00 0.00 H new ATOM 0 HA PHE A 55 111.443 -1.488 -10.284 1.00 0.00 H new ATOM 0 HB2 PHE A 55 112.287 0.764 -10.188 1.00 0.00 H new ATOM 0 HB3 PHE A 55 111.326 1.148 -8.773 1.00 0.00 H new ATOM 0 HD1 PHE A 55 112.961 -2.164 -9.066 1.00 0.00 H new ATOM 0 HD2 PHE A 55 113.278 1.805 -7.497 1.00 0.00 H new ATOM 0 HE1 PHE A 55 114.809 -2.901 -7.582 1.00 0.00 H new ATOM 0 HE2 PHE A 55 115.114 1.081 -6.007 1.00 0.00 H new ATOM 0 HZ PHE A 55 115.886 -1.275 -6.047 1.00 0.00 H new ATOM 894 N ILE A 56 110.979 -2.776 -8.147 1.00 0.00 N ATOM 895 CA ILE A 56 110.633 -3.484 -6.888 1.00 0.00 C ATOM 896 C ILE A 56 111.898 -4.096 -6.284 1.00 0.00 C ATOM 897 O ILE A 56 112.491 -4.995 -6.837 1.00 0.00 O ATOM 898 CB ILE A 56 109.588 -4.559 -7.194 1.00 0.00 C ATOM 899 CG1 ILE A 56 109.312 -5.399 -5.942 1.00 0.00 C ATOM 900 CG2 ILE A 56 110.089 -5.454 -8.326 1.00 0.00 C ATOM 901 CD1 ILE A 56 107.884 -5.934 -6.002 1.00 0.00 C ATOM 0 H ILE A 56 111.501 -3.319 -8.835 1.00 0.00 H new ATOM 0 HA ILE A 56 110.214 -2.788 -6.162 1.00 0.00 H new ATOM 0 HB ILE A 56 108.660 -4.077 -7.502 1.00 0.00 H new ATOM 0 HG12 ILE A 56 110.020 -6.225 -5.880 1.00 0.00 H new ATOM 0 HG13 ILE A 56 109.449 -4.794 -5.046 1.00 0.00 H new ATOM 0 HG21 ILE A 56 109.343 -6.219 -8.542 1.00 0.00 H new ATOM 0 HG22 ILE A 56 110.260 -4.851 -9.218 1.00 0.00 H new ATOM 0 HG23 ILE A 56 111.022 -5.931 -8.027 1.00 0.00 H new ATOM 0 HD11 ILE A 56 107.682 -6.532 -5.114 1.00 0.00 H new ATOM 0 HD12 ILE A 56 107.184 -5.099 -6.044 1.00 0.00 H new ATOM 0 HD13 ILE A 56 107.764 -6.553 -6.891 1.00 0.00 H new ATOM 913 N SER A 57 112.329 -3.592 -5.158 1.00 0.00 N ATOM 914 CA SER A 57 113.565 -4.122 -4.524 1.00 0.00 C ATOM 915 C SER A 57 113.268 -4.577 -3.095 1.00 0.00 C ATOM 916 O SER A 57 112.234 -4.277 -2.533 1.00 0.00 O ATOM 917 CB SER A 57 114.618 -3.012 -4.479 1.00 0.00 C ATOM 918 OG SER A 57 113.975 -1.767 -4.239 1.00 0.00 O ATOM 0 H SER A 57 111.874 -2.833 -4.650 1.00 0.00 H new ATOM 0 HA SER A 57 113.930 -4.969 -5.105 1.00 0.00 H new ATOM 0 HB2 SER A 57 115.346 -3.216 -3.694 1.00 0.00 H new ATOM 0 HB3 SER A 57 115.166 -2.976 -5.420 1.00 0.00 H new ATOM 0 HG SER A 57 114.345 -1.087 -4.839 1.00 0.00 H new ATOM 924 N ARG A 58 114.184 -5.288 -2.499 1.00 0.00 N ATOM 925 CA ARG A 58 113.991 -5.757 -1.099 1.00 0.00 C ATOM 926 C ARG A 58 115.266 -5.439 -0.311 1.00 0.00 C ATOM 927 O ARG A 58 116.338 -5.910 -0.642 1.00 0.00 O ATOM 928 CB ARG A 58 113.744 -7.267 -1.093 1.00 0.00 C ATOM 929 CG ARG A 58 112.348 -7.556 -0.539 1.00 0.00 C ATOM 930 CD ARG A 58 112.305 -8.978 0.024 1.00 0.00 C ATOM 931 NE ARG A 58 112.884 -9.924 -0.971 1.00 0.00 N ATOM 932 CZ ARG A 58 112.235 -11.009 -1.293 1.00 0.00 C ATOM 933 NH1 ARG A 58 112.319 -12.068 -0.535 1.00 0.00 N ATOM 934 NH2 ARG A 58 111.502 -11.036 -2.373 1.00 0.00 N ATOM 0 H ARG A 58 115.067 -5.567 -2.927 1.00 0.00 H new ATOM 0 HA ARG A 58 113.133 -5.259 -0.647 1.00 0.00 H new ATOM 0 HB2 ARG A 58 113.835 -7.665 -2.104 1.00 0.00 H new ATOM 0 HB3 ARG A 58 114.498 -7.767 -0.485 1.00 0.00 H new ATOM 0 HG2 ARG A 58 112.099 -6.837 0.242 1.00 0.00 H new ATOM 0 HG3 ARG A 58 111.602 -7.443 -1.326 1.00 0.00 H new ATOM 0 HD2 ARG A 58 112.865 -9.028 0.958 1.00 0.00 H new ATOM 0 HD3 ARG A 58 111.277 -9.259 0.253 1.00 0.00 H new ATOM 0 HE ARG A 58 113.787 -9.723 -1.400 1.00 0.00 H new ATOM 0 HH11 ARG A 58 112.892 -12.047 0.309 1.00 0.00 H new ATOM 0 HH12 ARG A 58 111.812 -12.917 -0.786 1.00 0.00 H new ATOM 0 HH21 ARG A 58 111.436 -10.208 -2.966 1.00 0.00 H new ATOM 0 HH22 ARG A 58 110.995 -11.885 -2.624 1.00 0.00 H new ATOM 948 N HIS A 59 115.177 -4.629 0.709 1.00 0.00 N ATOM 949 CA HIS A 59 116.407 -4.277 1.478 1.00 0.00 C ATOM 950 C HIS A 59 116.283 -4.729 2.934 1.00 0.00 C ATOM 951 O HIS A 59 115.253 -5.205 3.368 1.00 0.00 O ATOM 952 CB HIS A 59 116.610 -2.763 1.434 1.00 0.00 C ATOM 953 CG HIS A 59 116.558 -2.293 0.007 1.00 0.00 C ATOM 954 ND1 HIS A 59 117.613 -1.624 -0.589 1.00 0.00 N ATOM 955 CD2 HIS A 59 115.585 -2.395 -0.957 1.00 0.00 C ATOM 956 CE1 HIS A 59 117.256 -1.350 -1.856 1.00 0.00 C ATOM 957 NE2 HIS A 59 116.029 -1.797 -2.133 1.00 0.00 N ATOM 0 H HIS A 59 114.314 -4.199 1.042 1.00 0.00 H new ATOM 0 HA HIS A 59 117.260 -4.784 1.027 1.00 0.00 H new ATOM 0 HB2 HIS A 59 115.839 -2.264 2.021 1.00 0.00 H new ATOM 0 HB3 HIS A 59 117.569 -2.501 1.880 1.00 0.00 H new ATOM 0 HD1 HIS A 59 118.500 -1.383 -0.147 1.00 0.00 H new ATOM 0 HD2 HIS A 59 114.623 -2.867 -0.823 1.00 0.00 H new ATOM 0 HE1 HIS A 59 117.886 -0.831 -2.564 1.00 0.00 H new ATOM 965 N ASN A 60 117.337 -4.571 3.691 1.00 0.00 N ATOM 966 CA ASN A 60 117.309 -4.975 5.125 1.00 0.00 C ATOM 967 C ASN A 60 117.394 -3.721 5.999 1.00 0.00 C ATOM 968 O ASN A 60 118.338 -2.961 5.915 1.00 0.00 O ATOM 969 CB ASN A 60 118.512 -5.875 5.425 1.00 0.00 C ATOM 970 CG ASN A 60 118.224 -7.301 4.954 1.00 0.00 C ATOM 971 OD1 ASN A 60 117.071 -7.845 5.229 1.00 0.00 O flip ATOM 972 ND2 ASN A 60 119.060 -7.927 4.333 1.00 0.00 N flip ATOM 0 H ASN A 60 118.222 -4.176 3.373 1.00 0.00 H new ATOM 0 HA ASN A 60 116.386 -5.515 5.335 1.00 0.00 H new ATOM 0 HB2 ASN A 60 119.400 -5.489 4.924 1.00 0.00 H new ATOM 0 HB3 ASN A 60 118.723 -5.871 6.494 1.00 0.00 H new ATOM 0 HD21 ASN A 60 119.961 -7.500 4.119 1.00 0.00 H new ATOM 0 HD22 ASN A 60 118.860 -8.879 4.026 1.00 0.00 H new ATOM 979 N SER A 61 116.421 -3.497 6.837 1.00 0.00 N ATOM 980 CA SER A 61 116.460 -2.290 7.709 1.00 0.00 C ATOM 981 C SER A 61 117.127 -2.643 9.039 1.00 0.00 C ATOM 982 O SER A 61 118.184 -2.142 9.367 1.00 0.00 O ATOM 983 CB SER A 61 115.035 -1.796 7.963 1.00 0.00 C ATOM 984 OG SER A 61 114.142 -2.900 7.929 1.00 0.00 O ATOM 0 H SER A 61 115.603 -4.095 6.956 1.00 0.00 H new ATOM 0 HA SER A 61 117.031 -1.504 7.216 1.00 0.00 H new ATOM 0 HB2 SER A 61 114.978 -1.297 8.930 1.00 0.00 H new ATOM 0 HB3 SER A 61 114.753 -1.062 7.209 1.00 0.00 H new ATOM 0 HG SER A 61 113.228 -2.586 8.091 1.00 0.00 H new ATOM 990 N TYR A 62 116.520 -3.504 9.806 1.00 0.00 N ATOM 991 CA TYR A 62 117.121 -3.892 11.114 1.00 0.00 C ATOM 992 C TYR A 62 116.644 -5.294 11.489 1.00 0.00 C ATOM 993 O TYR A 62 117.432 -6.203 11.671 1.00 0.00 O ATOM 994 CB TYR A 62 116.686 -2.895 12.189 1.00 0.00 C ATOM 995 CG TYR A 62 117.004 -1.492 11.729 1.00 0.00 C ATOM 996 CD1 TYR A 62 118.252 -0.927 12.015 1.00 0.00 C ATOM 997 CD2 TYR A 62 116.051 -0.757 11.013 1.00 0.00 C ATOM 998 CE1 TYR A 62 118.547 0.370 11.585 1.00 0.00 C ATOM 999 CE2 TYR A 62 116.346 0.541 10.584 1.00 0.00 C ATOM 1000 CZ TYR A 62 117.595 1.106 10.869 1.00 0.00 C ATOM 1001 OH TYR A 62 117.887 2.386 10.445 1.00 0.00 O ATOM 0 H TYR A 62 115.633 -3.957 9.585 1.00 0.00 H new ATOM 0 HA TYR A 62 118.208 -3.886 11.037 1.00 0.00 H new ATOM 0 HB2 TYR A 62 115.618 -2.993 12.381 1.00 0.00 H new ATOM 0 HB3 TYR A 62 117.199 -3.107 13.127 1.00 0.00 H new ATOM 0 HD1 TYR A 62 118.987 -1.493 12.568 1.00 0.00 H new ATOM 0 HD2 TYR A 62 115.088 -1.193 10.792 1.00 0.00 H new ATOM 0 HE1 TYR A 62 119.511 0.805 11.805 1.00 0.00 H new ATOM 0 HE2 TYR A 62 115.610 1.108 10.033 1.00 0.00 H new ATOM 0 HH TYR A 62 117.542 2.517 9.537 1.00 0.00 H new ATOM 1011 N ASN A 63 115.358 -5.480 11.600 1.00 0.00 N ATOM 1012 CA ASN A 63 114.827 -6.825 11.955 1.00 0.00 C ATOM 1013 C ASN A 63 113.844 -7.280 10.876 1.00 0.00 C ATOM 1014 O ASN A 63 113.182 -8.290 11.013 1.00 0.00 O ATOM 1015 CB ASN A 63 114.105 -6.748 13.303 1.00 0.00 C ATOM 1016 CG ASN A 63 115.077 -6.252 14.374 1.00 0.00 C ATOM 1017 OD1 ASN A 63 116.177 -6.755 14.493 1.00 0.00 O ATOM 1018 ND2 ASN A 63 114.716 -5.279 15.165 1.00 0.00 N ATOM 0 H ASN A 63 114.652 -4.758 11.460 1.00 0.00 H new ATOM 0 HA ASN A 63 115.649 -7.537 12.024 1.00 0.00 H new ATOM 0 HB2 ASN A 63 113.251 -6.075 13.232 1.00 0.00 H new ATOM 0 HB3 ASN A 63 113.716 -7.729 13.576 1.00 0.00 H new ATOM 0 HD21 ASN A 63 115.357 -4.941 15.883 1.00 0.00 H new ATOM 0 HD22 ASN A 63 113.793 -4.857 15.065 1.00 0.00 H new ATOM 1025 N HIS A 64 113.741 -6.543 9.802 1.00 0.00 N ATOM 1026 CA HIS A 64 112.799 -6.934 8.719 1.00 0.00 C ATOM 1027 C HIS A 64 113.338 -6.454 7.370 1.00 0.00 C ATOM 1028 O HIS A 64 114.524 -6.242 7.208 1.00 0.00 O ATOM 1029 CB HIS A 64 111.431 -6.312 8.991 1.00 0.00 C ATOM 1030 CG HIS A 64 110.919 -6.814 10.311 1.00 0.00 C ATOM 1031 ND1 HIS A 64 110.635 -8.079 10.764 1.00 0.00 N flip ATOM 1032 CD2 HIS A 64 110.644 -5.964 11.368 1.00 0.00 C flip ATOM 1033 CE1 HIS A 64 110.192 -8.017 12.081 1.00 0.00 C flip ATOM 1034 NE2 HIS A 64 110.215 -6.718 12.396 1.00 0.00 N flip ATOM 0 H HIS A 64 114.269 -5.688 9.630 1.00 0.00 H new ATOM 0 HA HIS A 64 112.700 -8.019 8.692 1.00 0.00 H new ATOM 0 HB2 HIS A 64 111.508 -5.225 9.006 1.00 0.00 H new ATOM 0 HB3 HIS A 64 110.734 -6.571 8.194 1.00 0.00 H new ATOM 0 HD1 HIS A 64 110.734 -8.934 10.217 1.00 0.00 H new ATOM 0 HD2 HIS A 64 110.754 -4.890 11.368 1.00 0.00 H new ATOM 0 HE1 HIS A 64 109.894 -8.841 12.713 1.00 0.00 H new ATOM 1042 N ASN A 65 112.487 -6.300 6.392 1.00 0.00 N ATOM 1043 CA ASN A 65 112.973 -5.854 5.055 1.00 0.00 C ATOM 1044 C ASN A 65 112.125 -4.688 4.541 1.00 0.00 C ATOM 1045 O ASN A 65 110.928 -4.636 4.746 1.00 0.00 O ATOM 1046 CB ASN A 65 112.869 -7.019 4.066 1.00 0.00 C ATOM 1047 CG ASN A 65 114.094 -7.926 4.201 1.00 0.00 C ATOM 1048 OD1 ASN A 65 114.829 -8.116 3.253 1.00 0.00 O ATOM 1049 ND2 ASN A 65 114.345 -8.500 5.345 1.00 0.00 N ATOM 0 H ASN A 65 111.482 -6.463 6.460 1.00 0.00 H new ATOM 0 HA ASN A 65 114.009 -5.528 5.148 1.00 0.00 H new ATOM 0 HB2 ASN A 65 111.960 -7.590 4.257 1.00 0.00 H new ATOM 0 HB3 ASN A 65 112.798 -6.638 3.047 1.00 0.00 H new ATOM 0 HD21 ASN A 65 115.158 -9.108 5.443 1.00 0.00 H new ATOM 0 HD22 ASN A 65 113.728 -8.341 6.142 1.00 0.00 H new ATOM 1056 N ILE A 66 112.742 -3.762 3.860 1.00 0.00 N ATOM 1057 CA ILE A 66 111.986 -2.605 3.308 1.00 0.00 C ATOM 1058 C ILE A 66 111.691 -2.872 1.834 1.00 0.00 C ATOM 1059 O ILE A 66 112.550 -2.734 0.985 1.00 0.00 O ATOM 1060 CB ILE A 66 112.825 -1.334 3.434 1.00 0.00 C ATOM 1061 CG1 ILE A 66 113.275 -1.173 4.890 1.00 0.00 C ATOM 1062 CG2 ILE A 66 111.995 -0.118 3.002 1.00 0.00 C ATOM 1063 CD1 ILE A 66 112.123 -0.632 5.737 1.00 0.00 C ATOM 0 H ILE A 66 113.743 -3.758 3.662 1.00 0.00 H new ATOM 0 HA ILE A 66 111.055 -2.475 3.860 1.00 0.00 H new ATOM 0 HB ILE A 66 113.701 -1.406 2.789 1.00 0.00 H new ATOM 0 HG12 ILE A 66 113.608 -2.133 5.285 1.00 0.00 H new ATOM 0 HG13 ILE A 66 114.126 -0.494 4.943 1.00 0.00 H new ATOM 0 HG21 ILE A 66 112.598 0.785 3.094 1.00 0.00 H new ATOM 0 HG22 ILE A 66 111.682 -0.241 1.965 1.00 0.00 H new ATOM 0 HG23 ILE A 66 111.115 -0.033 3.640 1.00 0.00 H new ATOM 0 HD11 ILE A 66 112.452 -0.521 6.770 1.00 0.00 H new ATOM 0 HD12 ILE A 66 111.811 0.338 5.349 1.00 0.00 H new ATOM 0 HD13 ILE A 66 111.284 -1.327 5.696 1.00 0.00 H new ATOM 1075 N LEU A 67 110.488 -3.258 1.521 1.00 0.00 N ATOM 1076 CA LEU A 67 110.148 -3.537 0.100 1.00 0.00 C ATOM 1077 C LEU A 67 109.900 -2.219 -0.628 1.00 0.00 C ATOM 1078 O LEU A 67 108.955 -1.509 -0.356 1.00 0.00 O ATOM 1079 CB LEU A 67 108.890 -4.404 0.035 1.00 0.00 C ATOM 1080 CG LEU A 67 108.416 -4.513 -1.415 1.00 0.00 C ATOM 1081 CD1 LEU A 67 109.285 -5.521 -2.166 1.00 0.00 C ATOM 1082 CD2 LEU A 67 106.965 -4.983 -1.436 1.00 0.00 C ATOM 0 H LEU A 67 109.726 -3.392 2.186 1.00 0.00 H new ATOM 0 HA LEU A 67 110.974 -4.066 -0.376 1.00 0.00 H new ATOM 0 HB2 LEU A 67 109.099 -5.396 0.435 1.00 0.00 H new ATOM 0 HB3 LEU A 67 108.104 -3.970 0.653 1.00 0.00 H new ATOM 0 HG LEU A 67 108.495 -3.538 -1.897 1.00 0.00 H new ATOM 0 HD11 LEU A 67 108.945 -5.596 -3.199 1.00 0.00 H new ATOM 0 HD12 LEU A 67 110.323 -5.190 -2.149 1.00 0.00 H new ATOM 0 HD13 LEU A 67 109.208 -6.497 -1.686 1.00 0.00 H new ATOM 0 HD21 LEU A 67 106.623 -5.062 -2.468 1.00 0.00 H new ATOM 0 HD22 LEU A 67 106.891 -5.958 -0.954 1.00 0.00 H new ATOM 0 HD23 LEU A 67 106.342 -4.266 -0.901 1.00 0.00 H new ATOM 1094 N PHE A 68 110.750 -1.893 -1.554 1.00 0.00 N ATOM 1095 CA PHE A 68 110.594 -0.630 -2.320 1.00 0.00 C ATOM 1096 C PHE A 68 109.795 -0.915 -3.594 1.00 0.00 C ATOM 1097 O PHE A 68 110.154 -1.778 -4.364 1.00 0.00 O ATOM 1098 CB PHE A 68 111.989 -0.132 -2.700 1.00 0.00 C ATOM 1099 CG PHE A 68 112.042 1.368 -2.601 1.00 0.00 C ATOM 1100 CD1 PHE A 68 111.562 2.010 -1.454 1.00 0.00 C ATOM 1101 CD2 PHE A 68 112.571 2.116 -3.657 1.00 0.00 C ATOM 1102 CE1 PHE A 68 111.607 3.400 -1.365 1.00 0.00 C ATOM 1103 CE2 PHE A 68 112.616 3.507 -3.568 1.00 0.00 C ATOM 1104 CZ PHE A 68 112.134 4.151 -2.423 1.00 0.00 C ATOM 0 H PHE A 68 111.559 -2.456 -1.817 1.00 0.00 H new ATOM 0 HA PHE A 68 110.072 0.119 -1.724 1.00 0.00 H new ATOM 0 HB2 PHE A 68 112.735 -0.575 -2.040 1.00 0.00 H new ATOM 0 HB3 PHE A 68 112.233 -0.447 -3.715 1.00 0.00 H new ATOM 0 HD1 PHE A 68 111.157 1.429 -0.639 1.00 0.00 H new ATOM 0 HD2 PHE A 68 112.944 1.618 -4.540 1.00 0.00 H new ATOM 0 HE1 PHE A 68 111.236 3.897 -0.481 1.00 0.00 H new ATOM 0 HE2 PHE A 68 113.023 4.087 -4.383 1.00 0.00 H new ATOM 0 HZ PHE A 68 112.168 5.228 -2.355 1.00 0.00 H new ATOM 1114 N PHE A 69 108.718 -0.215 -3.846 1.00 0.00 N ATOM 1115 CA PHE A 69 107.965 -0.514 -5.097 1.00 0.00 C ATOM 1116 C PHE A 69 107.273 0.737 -5.642 1.00 0.00 C ATOM 1117 O PHE A 69 106.464 1.366 -4.984 1.00 0.00 O ATOM 1118 CB PHE A 69 106.950 -1.637 -4.846 1.00 0.00 C ATOM 1119 CG PHE A 69 105.707 -1.109 -4.171 1.00 0.00 C ATOM 1120 CD1 PHE A 69 105.724 -0.806 -2.806 1.00 0.00 C ATOM 1121 CD2 PHE A 69 104.527 -0.947 -4.910 1.00 0.00 C ATOM 1122 CE1 PHE A 69 104.564 -0.338 -2.180 1.00 0.00 C ATOM 1123 CE2 PHE A 69 103.367 -0.482 -4.282 1.00 0.00 C ATOM 1124 CZ PHE A 69 103.384 -0.178 -2.917 1.00 0.00 C ATOM 0 H PHE A 69 108.338 0.528 -3.259 1.00 0.00 H new ATOM 0 HA PHE A 69 108.676 -0.849 -5.852 1.00 0.00 H new ATOM 0 HB2 PHE A 69 106.682 -2.106 -5.792 1.00 0.00 H new ATOM 0 HB3 PHE A 69 107.404 -2.409 -4.225 1.00 0.00 H new ATOM 0 HD1 PHE A 69 106.632 -0.933 -2.235 1.00 0.00 H new ATOM 0 HD2 PHE A 69 104.514 -1.181 -5.964 1.00 0.00 H new ATOM 0 HE1 PHE A 69 104.578 -0.100 -1.127 1.00 0.00 H new ATOM 0 HE2 PHE A 69 102.458 -0.358 -4.851 1.00 0.00 H new ATOM 0 HZ PHE A 69 102.488 0.180 -2.432 1.00 0.00 H new ATOM 1134 N LEU A 70 107.599 1.091 -6.860 1.00 0.00 N ATOM 1135 CA LEU A 70 106.987 2.286 -7.503 1.00 0.00 C ATOM 1136 C LEU A 70 105.738 1.851 -8.271 1.00 0.00 C ATOM 1137 O LEU A 70 105.348 0.701 -8.237 1.00 0.00 O ATOM 1138 CB LEU A 70 107.982 2.896 -8.497 1.00 0.00 C ATOM 1139 CG LEU A 70 109.098 3.623 -7.746 1.00 0.00 C ATOM 1140 CD1 LEU A 70 110.128 4.144 -8.753 1.00 0.00 C ATOM 1141 CD2 LEU A 70 108.499 4.795 -6.970 1.00 0.00 C ATOM 0 H LEU A 70 108.273 0.593 -7.441 1.00 0.00 H new ATOM 0 HA LEU A 70 106.728 3.019 -6.739 1.00 0.00 H new ATOM 0 HB2 LEU A 70 108.406 2.113 -9.125 1.00 0.00 H new ATOM 0 HB3 LEU A 70 107.466 3.591 -9.159 1.00 0.00 H new ATOM 0 HG LEU A 70 109.585 2.938 -7.052 1.00 0.00 H new ATOM 0 HD11 LEU A 70 110.926 4.663 -8.222 1.00 0.00 H new ATOM 0 HD12 LEU A 70 110.548 3.307 -9.310 1.00 0.00 H new ATOM 0 HD13 LEU A 70 109.644 4.834 -9.445 1.00 0.00 H new ATOM 0 HD21 LEU A 70 109.290 5.318 -6.432 1.00 0.00 H new ATOM 0 HD22 LEU A 70 108.017 5.483 -7.665 1.00 0.00 H new ATOM 0 HD23 LEU A 70 107.762 4.422 -6.259 1.00 0.00 H new ATOM 1153 N THR A 71 105.116 2.756 -8.972 1.00 0.00 N ATOM 1154 CA THR A 71 103.902 2.386 -9.751 1.00 0.00 C ATOM 1155 C THR A 71 103.677 3.423 -10.860 1.00 0.00 C ATOM 1156 O THR A 71 103.964 4.589 -10.681 1.00 0.00 O ATOM 1157 CB THR A 71 102.689 2.363 -8.822 1.00 0.00 C ATOM 1158 OG1 THR A 71 102.596 3.609 -8.151 1.00 0.00 O ATOM 1159 CG2 THR A 71 102.843 1.245 -7.790 1.00 0.00 C ATOM 0 H THR A 71 105.395 3.735 -9.040 1.00 0.00 H new ATOM 0 HA THR A 71 104.038 1.400 -10.194 1.00 0.00 H new ATOM 0 HB THR A 71 101.788 2.186 -9.409 1.00 0.00 H new ATOM 0 HG1 THR A 71 101.658 3.891 -8.114 1.00 0.00 H new ATOM 0 HG21 THR A 71 101.974 1.235 -7.132 1.00 0.00 H new ATOM 0 HG22 THR A 71 102.921 0.286 -8.302 1.00 0.00 H new ATOM 0 HG23 THR A 71 103.743 1.416 -7.200 1.00 0.00 H new ATOM 1167 N PRO A 72 103.172 2.960 -11.977 1.00 0.00 N ATOM 1168 CA PRO A 72 102.896 3.821 -13.141 1.00 0.00 C ATOM 1169 C PRO A 72 101.597 4.608 -12.939 1.00 0.00 C ATOM 1170 O PRO A 72 101.619 5.774 -12.596 1.00 0.00 O ATOM 1171 CB PRO A 72 102.763 2.826 -14.298 1.00 0.00 C ATOM 1172 CG PRO A 72 102.406 1.461 -13.662 1.00 0.00 C ATOM 1173 CD PRO A 72 102.830 1.539 -12.183 1.00 0.00 C ATOM 0 HA PRO A 72 103.671 4.568 -13.313 1.00 0.00 H new ATOM 0 HB2 PRO A 72 101.988 3.144 -14.996 1.00 0.00 H new ATOM 0 HB3 PRO A 72 103.693 2.760 -14.862 1.00 0.00 H new ATOM 0 HG2 PRO A 72 101.338 1.261 -13.749 1.00 0.00 H new ATOM 0 HG3 PRO A 72 102.925 0.649 -14.171 1.00 0.00 H new ATOM 0 HD2 PRO A 72 102.024 1.224 -11.521 1.00 0.00 H new ATOM 0 HD3 PRO A 72 103.682 0.891 -11.979 1.00 0.00 H new ATOM 1181 N HIS A 73 100.465 3.990 -13.152 1.00 0.00 N ATOM 1182 CA HIS A 73 99.179 4.723 -12.970 1.00 0.00 C ATOM 1183 C HIS A 73 99.194 5.444 -11.621 1.00 0.00 C ATOM 1184 O HIS A 73 100.130 5.327 -10.855 1.00 0.00 O ATOM 1185 CB HIS A 73 97.997 3.743 -13.034 1.00 0.00 C ATOM 1186 CG HIS A 73 98.166 2.643 -12.018 1.00 0.00 C ATOM 1187 ND1 HIS A 73 97.265 2.454 -10.979 1.00 0.00 N ATOM 1188 CD2 HIS A 73 99.115 1.660 -11.872 1.00 0.00 C ATOM 1189 CE1 HIS A 73 97.688 1.395 -10.262 1.00 0.00 C ATOM 1190 NE2 HIS A 73 98.810 0.874 -10.764 1.00 0.00 N ATOM 0 H HIS A 73 100.376 3.016 -13.442 1.00 0.00 H new ATOM 0 HA HIS A 73 99.064 5.455 -13.769 1.00 0.00 H new ATOM 0 HB2 HIS A 73 97.065 4.276 -12.849 1.00 0.00 H new ATOM 0 HB3 HIS A 73 97.926 3.315 -14.034 1.00 0.00 H new ATOM 0 HD1 HIS A 73 96.434 3.015 -10.792 1.00 0.00 H new ATOM 0 HD2 HIS A 73 99.968 1.519 -12.519 1.00 0.00 H new ATOM 0 HE1 HIS A 73 97.181 1.014 -9.388 1.00 0.00 H new ATOM 1198 N ARG A 74 98.170 6.199 -11.326 1.00 0.00 N ATOM 1199 CA ARG A 74 98.138 6.931 -10.028 1.00 0.00 C ATOM 1200 C ARG A 74 97.174 6.233 -9.068 1.00 0.00 C ATOM 1201 O ARG A 74 96.161 5.697 -9.472 1.00 0.00 O ATOM 1202 CB ARG A 74 97.673 8.370 -10.264 1.00 0.00 C ATOM 1203 CG ARG A 74 98.886 9.257 -10.552 1.00 0.00 C ATOM 1204 CD ARG A 74 98.428 10.701 -10.768 1.00 0.00 C ATOM 1205 NE ARG A 74 99.585 11.622 -10.591 1.00 0.00 N ATOM 1206 CZ ARG A 74 99.413 12.791 -10.035 1.00 0.00 C ATOM 1207 NH1 ARG A 74 99.020 13.804 -10.756 1.00 0.00 N ATOM 1208 NH2 ARG A 74 99.634 12.944 -8.757 1.00 0.00 N ATOM 0 H ARG A 74 97.357 6.340 -11.926 1.00 0.00 H new ATOM 0 HA ARG A 74 99.137 6.939 -9.593 1.00 0.00 H new ATOM 0 HB2 ARG A 74 96.976 8.406 -11.101 1.00 0.00 H new ATOM 0 HB3 ARG A 74 97.139 8.739 -9.389 1.00 0.00 H new ATOM 0 HG2 ARG A 74 99.590 9.209 -9.721 1.00 0.00 H new ATOM 0 HG3 ARG A 74 99.411 8.896 -11.436 1.00 0.00 H new ATOM 0 HD2 ARG A 74 98.009 10.815 -11.768 1.00 0.00 H new ATOM 0 HD3 ARG A 74 97.638 10.953 -10.060 1.00 0.00 H new ATOM 0 HE ARG A 74 100.513 11.339 -10.905 1.00 0.00 H new ATOM 0 HH11 ARG A 74 98.847 13.683 -11.754 1.00 0.00 H new ATOM 0 HH12 ARG A 74 98.886 14.717 -10.322 1.00 0.00 H new ATOM 0 HH21 ARG A 74 99.941 12.151 -8.194 1.00 0.00 H new ATOM 0 HH22 ARG A 74 99.500 13.857 -8.322 1.00 0.00 H new ATOM 1222 N HIS A 75 97.484 6.230 -7.800 1.00 0.00 N ATOM 1223 CA HIS A 75 96.588 5.559 -6.812 1.00 0.00 C ATOM 1224 C HIS A 75 96.679 6.280 -5.471 1.00 0.00 C ATOM 1225 O HIS A 75 97.747 6.651 -5.027 1.00 0.00 O ATOM 1226 CB HIS A 75 97.013 4.096 -6.606 1.00 0.00 C ATOM 1227 CG HIS A 75 98.200 3.766 -7.465 1.00 0.00 C ATOM 1228 ND1 HIS A 75 98.132 3.754 -8.848 1.00 0.00 N ATOM 1229 CD2 HIS A 75 99.495 3.444 -7.150 1.00 0.00 C ATOM 1230 CE1 HIS A 75 99.356 3.436 -9.308 1.00 0.00 C ATOM 1231 NE2 HIS A 75 100.222 3.237 -8.314 1.00 0.00 N ATOM 0 H HIS A 75 98.319 6.663 -7.404 1.00 0.00 H new ATOM 0 HA HIS A 75 95.568 5.591 -7.195 1.00 0.00 H new ATOM 0 HB2 HIS A 75 97.257 3.927 -5.557 1.00 0.00 H new ATOM 0 HB3 HIS A 75 96.184 3.432 -6.851 1.00 0.00 H new ATOM 0 HD1 HIS A 75 97.306 3.950 -9.414 1.00 0.00 H new ATOM 0 HD2 HIS A 75 99.890 3.364 -6.148 1.00 0.00 H new ATOM 0 HE1 HIS A 75 99.606 3.352 -10.355 1.00 0.00 H new ATOM 1239 N ARG A 76 95.571 6.470 -4.812 1.00 0.00 N ATOM 1240 CA ARG A 76 95.604 7.153 -3.492 1.00 0.00 C ATOM 1241 C ARG A 76 96.309 6.245 -2.483 1.00 0.00 C ATOM 1242 O ARG A 76 96.120 5.044 -2.479 1.00 0.00 O ATOM 1243 CB ARG A 76 94.173 7.427 -3.023 1.00 0.00 C ATOM 1244 CG ARG A 76 94.026 8.908 -2.668 1.00 0.00 C ATOM 1245 CD ARG A 76 92.671 9.422 -3.159 1.00 0.00 C ATOM 1246 NE ARG A 76 91.621 8.403 -2.879 1.00 0.00 N ATOM 1247 CZ ARG A 76 90.412 8.782 -2.566 1.00 0.00 C ATOM 1248 NH1 ARG A 76 89.879 9.817 -3.154 1.00 0.00 N ATOM 1249 NH2 ARG A 76 89.734 8.124 -1.665 1.00 0.00 N ATOM 0 H ARG A 76 94.646 6.182 -5.131 1.00 0.00 H new ATOM 0 HA ARG A 76 96.141 8.098 -3.576 1.00 0.00 H new ATOM 0 HB2 ARG A 76 93.465 7.158 -3.807 1.00 0.00 H new ATOM 0 HB3 ARG A 76 93.939 6.809 -2.156 1.00 0.00 H new ATOM 0 HG2 ARG A 76 94.109 9.044 -1.590 1.00 0.00 H new ATOM 0 HG3 ARG A 76 94.832 9.483 -3.124 1.00 0.00 H new ATOM 0 HD2 ARG A 76 92.424 10.360 -2.662 1.00 0.00 H new ATOM 0 HD3 ARG A 76 92.715 9.630 -4.228 1.00 0.00 H new ATOM 0 HE ARG A 76 91.847 7.410 -2.932 1.00 0.00 H new ATOM 0 HH11 ARG A 76 90.407 10.331 -3.859 1.00 0.00 H new ATOM 0 HH12 ARG A 76 88.934 10.112 -2.909 1.00 0.00 H new ATOM 0 HH21 ARG A 76 90.149 7.314 -1.205 1.00 0.00 H new ATOM 0 HH22 ARG A 76 88.789 8.420 -1.421 1.00 0.00 H new ATOM 1263 N VAL A 77 97.120 6.802 -1.625 1.00 0.00 N ATOM 1264 CA VAL A 77 97.825 5.956 -0.623 1.00 0.00 C ATOM 1265 C VAL A 77 96.786 5.182 0.191 1.00 0.00 C ATOM 1266 O VAL A 77 97.095 4.201 0.836 1.00 0.00 O ATOM 1267 CB VAL A 77 98.671 6.840 0.298 1.00 0.00 C ATOM 1268 CG1 VAL A 77 99.038 6.068 1.569 1.00 0.00 C ATOM 1269 CG2 VAL A 77 99.953 7.240 -0.437 1.00 0.00 C ATOM 0 H VAL A 77 97.323 7.800 -1.575 1.00 0.00 H new ATOM 0 HA VAL A 77 98.485 5.252 -1.130 1.00 0.00 H new ATOM 0 HB VAL A 77 98.102 7.729 0.571 1.00 0.00 H new ATOM 0 HG11 VAL A 77 99.640 6.703 2.219 1.00 0.00 H new ATOM 0 HG12 VAL A 77 98.128 5.773 2.091 1.00 0.00 H new ATOM 0 HG13 VAL A 77 99.608 5.178 1.302 1.00 0.00 H new ATOM 0 HG21 VAL A 77 100.562 7.870 0.211 1.00 0.00 H new ATOM 0 HG22 VAL A 77 100.514 6.344 -0.704 1.00 0.00 H new ATOM 0 HG23 VAL A 77 99.697 7.791 -1.342 1.00 0.00 H new ATOM 1279 N SER A 78 95.552 5.605 0.153 1.00 0.00 N ATOM 1280 CA SER A 78 94.496 4.880 0.908 1.00 0.00 C ATOM 1281 C SER A 78 94.221 3.553 0.201 1.00 0.00 C ATOM 1282 O SER A 78 94.050 2.525 0.827 1.00 0.00 O ATOM 1283 CB SER A 78 93.217 5.719 0.940 1.00 0.00 C ATOM 1284 OG SER A 78 93.561 7.098 0.960 1.00 0.00 O ATOM 0 H SER A 78 95.231 6.421 -0.368 1.00 0.00 H new ATOM 0 HA SER A 78 94.825 4.699 1.931 1.00 0.00 H new ATOM 0 HB2 SER A 78 92.602 5.498 0.068 1.00 0.00 H new ATOM 0 HB3 SER A 78 92.625 5.467 1.820 1.00 0.00 H new ATOM 0 HG SER A 78 92.744 7.639 0.979 1.00 0.00 H new ATOM 1290 N ALA A 79 94.187 3.568 -1.104 1.00 0.00 N ATOM 1291 CA ALA A 79 93.935 2.311 -1.864 1.00 0.00 C ATOM 1292 C ALA A 79 95.138 1.379 -1.707 1.00 0.00 C ATOM 1293 O ALA A 79 95.014 0.268 -1.231 1.00 0.00 O ATOM 1294 CB ALA A 79 93.734 2.639 -3.345 1.00 0.00 C ATOM 0 H ALA A 79 94.323 4.400 -1.678 1.00 0.00 H new ATOM 0 HA ALA A 79 93.040 1.824 -1.478 1.00 0.00 H new ATOM 0 HB1 ALA A 79 93.550 1.719 -3.900 1.00 0.00 H new ATOM 0 HB2 ALA A 79 92.880 3.307 -3.457 1.00 0.00 H new ATOM 0 HB3 ALA A 79 94.629 3.125 -3.735 1.00 0.00 H new ATOM 1300 N ILE A 80 96.305 1.822 -2.095 1.00 0.00 N ATOM 1301 CA ILE A 80 97.510 0.955 -1.954 1.00 0.00 C ATOM 1302 C ILE A 80 97.610 0.486 -0.502 1.00 0.00 C ATOM 1303 O ILE A 80 97.989 -0.637 -0.219 1.00 0.00 O ATOM 1304 CB ILE A 80 98.765 1.747 -2.323 1.00 0.00 C ATOM 1305 CG1 ILE A 80 98.699 2.154 -3.800 1.00 0.00 C ATOM 1306 CG2 ILE A 80 100.002 0.880 -2.088 1.00 0.00 C ATOM 1307 CD1 ILE A 80 98.964 0.933 -4.684 1.00 0.00 C ATOM 0 H ILE A 80 96.475 2.742 -2.501 1.00 0.00 H new ATOM 0 HA ILE A 80 97.425 0.096 -2.619 1.00 0.00 H new ATOM 0 HB ILE A 80 98.825 2.641 -1.703 1.00 0.00 H new ATOM 0 HG12 ILE A 80 97.719 2.574 -4.028 1.00 0.00 H new ATOM 0 HG13 ILE A 80 99.435 2.931 -4.006 1.00 0.00 H new ATOM 0 HG21 ILE A 80 100.897 1.444 -2.351 1.00 0.00 H new ATOM 0 HG22 ILE A 80 100.050 0.592 -1.038 1.00 0.00 H new ATOM 0 HG23 ILE A 80 99.942 -0.015 -2.707 1.00 0.00 H new ATOM 0 HD11 ILE A 80 98.916 1.226 -5.733 1.00 0.00 H new ATOM 0 HD12 ILE A 80 99.953 0.532 -4.464 1.00 0.00 H new ATOM 0 HD13 ILE A 80 98.211 0.170 -4.486 1.00 0.00 H new ATOM 1319 N ASN A 81 97.261 1.337 0.423 1.00 0.00 N ATOM 1320 CA ASN A 81 97.319 0.941 1.855 1.00 0.00 C ATOM 1321 C ASN A 81 96.435 -0.289 2.048 1.00 0.00 C ATOM 1322 O ASN A 81 96.790 -1.221 2.741 1.00 0.00 O ATOM 1323 CB ASN A 81 96.804 2.090 2.727 1.00 0.00 C ATOM 1324 CG ASN A 81 96.756 1.643 4.189 1.00 0.00 C ATOM 1325 OD1 ASN A 81 97.781 1.511 4.831 1.00 0.00 O ATOM 1326 ND2 ASN A 81 95.602 1.402 4.747 1.00 0.00 N ATOM 0 H ASN A 81 96.939 2.289 0.248 1.00 0.00 H new ATOM 0 HA ASN A 81 98.346 0.714 2.143 1.00 0.00 H new ATOM 0 HB2 ASN A 81 97.454 2.959 2.623 1.00 0.00 H new ATOM 0 HB3 ASN A 81 95.811 2.394 2.396 1.00 0.00 H new ATOM 0 HD21 ASN A 81 95.559 1.103 5.721 1.00 0.00 H new ATOM 0 HD22 ASN A 81 94.742 1.513 4.209 1.00 0.00 H new ATOM 1333 N ASN A 82 95.290 -0.304 1.419 1.00 0.00 N ATOM 1334 CA ASN A 82 94.387 -1.480 1.543 1.00 0.00 C ATOM 1335 C ASN A 82 95.109 -2.706 0.984 1.00 0.00 C ATOM 1336 O ASN A 82 94.900 -3.818 1.424 1.00 0.00 O ATOM 1337 CB ASN A 82 93.104 -1.230 0.747 1.00 0.00 C ATOM 1338 CG ASN A 82 92.444 0.060 1.239 1.00 0.00 C ATOM 1339 OD1 ASN A 82 92.648 0.457 2.465 1.00 0.00 O flip ATOM 1340 ND2 ASN A 82 91.735 0.713 0.499 1.00 0.00 N flip ATOM 0 H ASN A 82 94.943 0.449 0.825 1.00 0.00 H new ATOM 0 HA ASN A 82 94.127 -1.644 2.589 1.00 0.00 H new ATOM 0 HB2 ASN A 82 93.332 -1.152 -0.316 1.00 0.00 H new ATOM 0 HB3 ASN A 82 92.420 -2.070 0.866 1.00 0.00 H new ATOM 0 HD21 ASN A 82 91.575 0.403 -0.459 1.00 0.00 H new ATOM 0 HD22 ASN A 82 91.299 1.571 0.836 1.00 0.00 H new ATOM 1347 N TYR A 83 95.971 -2.504 0.023 1.00 0.00 N ATOM 1348 CA TYR A 83 96.726 -3.649 -0.558 1.00 0.00 C ATOM 1349 C TYR A 83 97.547 -4.300 0.550 1.00 0.00 C ATOM 1350 O TYR A 83 97.300 -5.422 0.943 1.00 0.00 O ATOM 1351 CB TYR A 83 97.664 -3.134 -1.656 1.00 0.00 C ATOM 1352 CG TYR A 83 98.434 -4.284 -2.270 1.00 0.00 C ATOM 1353 CD1 TYR A 83 99.378 -4.992 -1.510 1.00 0.00 C ATOM 1354 CD2 TYR A 83 98.211 -4.639 -3.606 1.00 0.00 C ATOM 1355 CE1 TYR A 83 100.091 -6.045 -2.086 1.00 0.00 C ATOM 1356 CE2 TYR A 83 98.928 -5.694 -4.181 1.00 0.00 C ATOM 1357 CZ TYR A 83 99.868 -6.396 -3.420 1.00 0.00 C ATOM 1358 OH TYR A 83 100.575 -7.433 -3.987 1.00 0.00 O ATOM 0 H TYR A 83 96.184 -1.593 -0.384 1.00 0.00 H new ATOM 0 HA TYR A 83 96.036 -4.376 -0.987 1.00 0.00 H new ATOM 0 HB2 TYR A 83 97.087 -2.621 -2.426 1.00 0.00 H new ATOM 0 HB3 TYR A 83 98.358 -2.404 -1.239 1.00 0.00 H new ATOM 0 HD1 TYR A 83 99.553 -4.722 -0.479 1.00 0.00 H new ATOM 0 HD2 TYR A 83 97.484 -4.098 -4.194 1.00 0.00 H new ATOM 0 HE1 TYR A 83 100.816 -6.589 -1.499 1.00 0.00 H new ATOM 0 HE2 TYR A 83 98.756 -5.966 -5.212 1.00 0.00 H new ATOM 0 HH TYR A 83 100.309 -7.536 -4.925 1.00 0.00 H new ATOM 1368 N ALA A 84 98.524 -3.600 1.062 1.00 0.00 N ATOM 1369 CA ALA A 84 99.360 -4.176 2.150 1.00 0.00 C ATOM 1370 C ALA A 84 98.462 -4.550 3.329 1.00 0.00 C ATOM 1371 O ALA A 84 98.814 -5.369 4.156 1.00 0.00 O ATOM 1372 CB ALA A 84 100.395 -3.144 2.603 1.00 0.00 C ATOM 0 H ALA A 84 98.778 -2.655 0.773 1.00 0.00 H new ATOM 0 HA ALA A 84 99.874 -5.065 1.784 1.00 0.00 H new ATOM 0 HB1 ALA A 84 101.006 -3.567 3.400 1.00 0.00 H new ATOM 0 HB2 ALA A 84 101.032 -2.874 1.761 1.00 0.00 H new ATOM 0 HB3 ALA A 84 99.884 -2.254 2.971 1.00 0.00 H new ATOM 1378 N GLN A 85 97.299 -3.962 3.411 1.00 0.00 N ATOM 1379 CA GLN A 85 96.378 -4.286 4.534 1.00 0.00 C ATOM 1380 C GLN A 85 95.808 -5.692 4.330 1.00 0.00 C ATOM 1381 O GLN A 85 95.592 -6.427 5.274 1.00 0.00 O ATOM 1382 CB GLN A 85 95.234 -3.270 4.571 1.00 0.00 C ATOM 1383 CG GLN A 85 94.630 -3.232 5.975 1.00 0.00 C ATOM 1384 CD GLN A 85 95.355 -2.180 6.815 1.00 0.00 C ATOM 1385 OE1 GLN A 85 96.618 -1.940 6.590 1.00 0.00 O flip ATOM 1386 NE2 GLN A 85 94.767 -1.569 7.685 1.00 0.00 N flip ATOM 0 H GLN A 85 96.948 -3.271 2.748 1.00 0.00 H new ATOM 0 HA GLN A 85 96.924 -4.246 5.476 1.00 0.00 H new ATOM 0 HB2 GLN A 85 95.602 -2.282 4.295 1.00 0.00 H new ATOM 0 HB3 GLN A 85 94.470 -3.540 3.842 1.00 0.00 H new ATOM 0 HG2 GLN A 85 93.567 -2.998 5.919 1.00 0.00 H new ATOM 0 HG3 GLN A 85 94.716 -4.211 6.446 1.00 0.00 H new ATOM 0 HE21 GLN A 85 93.780 -1.756 7.861 1.00 0.00 H new ATOM 0 HE22 GLN A 85 95.260 -0.869 8.239 1.00 0.00 H new ATOM 1395 N LYS A 86 95.570 -6.074 3.105 1.00 0.00 N ATOM 1396 CA LYS A 86 95.024 -7.434 2.843 1.00 0.00 C ATOM 1397 C LYS A 86 96.065 -8.468 3.264 1.00 0.00 C ATOM 1398 O LYS A 86 95.751 -9.609 3.540 1.00 0.00 O ATOM 1399 CB LYS A 86 94.724 -7.587 1.351 1.00 0.00 C ATOM 1400 CG LYS A 86 93.220 -7.780 1.148 1.00 0.00 C ATOM 1401 CD LYS A 86 92.840 -7.387 -0.280 1.00 0.00 C ATOM 1402 CE LYS A 86 93.051 -8.583 -1.211 1.00 0.00 C ATOM 1403 NZ LYS A 86 92.064 -8.524 -2.325 1.00 0.00 N ATOM 0 H LYS A 86 95.730 -5.503 2.275 1.00 0.00 H new ATOM 0 HA LYS A 86 94.104 -7.581 3.408 1.00 0.00 H new ATOM 0 HB2 LYS A 86 95.064 -6.705 0.809 1.00 0.00 H new ATOM 0 HB3 LYS A 86 95.268 -8.440 0.946 1.00 0.00 H new ATOM 0 HG2 LYS A 86 92.948 -8.819 1.334 1.00 0.00 H new ATOM 0 HG3 LYS A 86 92.665 -7.172 1.863 1.00 0.00 H new ATOM 0 HD2 LYS A 86 91.799 -7.064 -0.315 1.00 0.00 H new ATOM 0 HD3 LYS A 86 93.447 -6.544 -0.610 1.00 0.00 H new ATOM 0 HE2 LYS A 86 94.066 -8.573 -1.609 1.00 0.00 H new ATOM 0 HE3 LYS A 86 92.935 -9.514 -0.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 92.206 -9.336 -2.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 91.100 -8.553 -1.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 92.196 -7.641 -2.859 1.00 0.00 H new ATOM 1417 N LEU A 87 97.304 -8.070 3.320 1.00 0.00 N ATOM 1418 CA LEU A 87 98.378 -9.013 3.729 1.00 0.00 C ATOM 1419 C LEU A 87 98.852 -8.648 5.137 1.00 0.00 C ATOM 1420 O LEU A 87 100.016 -8.762 5.461 1.00 0.00 O ATOM 1421 CB LEU A 87 99.548 -8.906 2.749 1.00 0.00 C ATOM 1422 CG LEU A 87 99.008 -8.795 1.322 1.00 0.00 C ATOM 1423 CD1 LEU A 87 99.021 -7.330 0.884 1.00 0.00 C ATOM 1424 CD2 LEU A 87 99.891 -9.615 0.379 1.00 0.00 C ATOM 0 H LEU A 87 97.620 -7.126 3.098 1.00 0.00 H new ATOM 0 HA LEU A 87 97.997 -10.034 3.724 1.00 0.00 H new ATOM 0 HB2 LEU A 87 100.158 -8.035 2.988 1.00 0.00 H new ATOM 0 HB3 LEU A 87 100.193 -9.780 2.839 1.00 0.00 H new ATOM 0 HG LEU A 87 97.987 -9.175 1.289 1.00 0.00 H new ATOM 0 HD11 LEU A 87 98.636 -7.251 -0.133 1.00 0.00 H new ATOM 0 HD12 LEU A 87 98.394 -6.744 1.556 1.00 0.00 H new ATOM 0 HD13 LEU A 87 100.042 -6.950 0.916 1.00 0.00 H new ATOM 0 HD21 LEU A 87 99.508 -9.537 -0.638 1.00 0.00 H new ATOM 0 HD22 LEU A 87 100.911 -9.233 0.412 1.00 0.00 H new ATOM 0 HD23 LEU A 87 99.884 -10.660 0.690 1.00 0.00 H new ATOM 1436 N CYS A 88 97.953 -8.204 5.973 1.00 0.00 N ATOM 1437 CA CYS A 88 98.343 -7.824 7.360 1.00 0.00 C ATOM 1438 C CYS A 88 97.744 -8.825 8.351 1.00 0.00 C ATOM 1439 O CYS A 88 97.788 -8.627 9.549 1.00 0.00 O ATOM 1440 CB CYS A 88 97.814 -6.423 7.669 1.00 0.00 C ATOM 1441 SG CYS A 88 98.431 -5.886 9.283 1.00 0.00 S ATOM 0 H CYS A 88 96.963 -8.088 5.754 1.00 0.00 H new ATOM 0 HA CYS A 88 99.429 -7.832 7.448 1.00 0.00 H new ATOM 0 HB2 CYS A 88 98.132 -5.724 6.895 1.00 0.00 H new ATOM 0 HB3 CYS A 88 96.724 -6.426 7.667 1.00 0.00 H new ATOM 0 HG CYS A 88 98.489 -6.906 10.087 1.00 0.00 H new ATOM 1447 N THR A 89 97.186 -9.898 7.862 1.00 0.00 N ATOM 1448 CA THR A 89 96.587 -10.910 8.778 1.00 0.00 C ATOM 1449 C THR A 89 97.676 -11.879 9.245 1.00 0.00 C ATOM 1450 O THR A 89 97.488 -13.079 9.262 1.00 0.00 O ATOM 1451 CB THR A 89 95.496 -11.684 8.034 1.00 0.00 C ATOM 1452 OG1 THR A 89 95.762 -11.648 6.638 1.00 0.00 O ATOM 1453 CG2 THR A 89 94.134 -11.045 8.319 1.00 0.00 C ATOM 0 H THR A 89 97.119 -10.118 6.868 1.00 0.00 H new ATOM 0 HA THR A 89 96.151 -10.410 9.643 1.00 0.00 H new ATOM 0 HB THR A 89 95.485 -12.720 8.372 1.00 0.00 H new ATOM 0 HG1 THR A 89 96.682 -11.942 6.473 1.00 0.00 H new ATOM 0 HG21 THR A 89 93.356 -11.595 7.790 1.00 0.00 H new ATOM 0 HG22 THR A 89 93.935 -11.075 9.390 1.00 0.00 H new ATOM 0 HG23 THR A 89 94.140 -10.009 7.980 1.00 0.00 H new ATOM 1461 N PHE A 90 98.814 -11.364 9.623 1.00 0.00 N ATOM 1462 CA PHE A 90 99.921 -12.248 10.089 1.00 0.00 C ATOM 1463 C PHE A 90 101.147 -11.390 10.405 1.00 0.00 C ATOM 1464 O PHE A 90 101.514 -10.513 9.649 1.00 0.00 O ATOM 1465 CB PHE A 90 100.270 -13.254 8.990 1.00 0.00 C ATOM 1466 CG PHE A 90 100.090 -12.606 7.638 1.00 0.00 C ATOM 1467 CD1 PHE A 90 101.071 -11.739 7.142 1.00 0.00 C ATOM 1468 CD2 PHE A 90 98.942 -12.870 6.882 1.00 0.00 C ATOM 1469 CE1 PHE A 90 100.903 -11.138 5.888 1.00 0.00 C ATOM 1470 CE2 PHE A 90 98.774 -12.269 5.631 1.00 0.00 C ATOM 1471 CZ PHE A 90 99.755 -11.401 5.134 1.00 0.00 C ATOM 0 H PHE A 90 99.026 -10.366 9.629 1.00 0.00 H new ATOM 0 HA PHE A 90 99.609 -12.787 10.984 1.00 0.00 H new ATOM 0 HB2 PHE A 90 101.299 -13.595 9.108 1.00 0.00 H new ATOM 0 HB3 PHE A 90 99.631 -14.134 9.071 1.00 0.00 H new ATOM 0 HD1 PHE A 90 101.956 -11.534 7.726 1.00 0.00 H new ATOM 0 HD2 PHE A 90 98.185 -13.539 7.265 1.00 0.00 H new ATOM 0 HE1 PHE A 90 101.660 -10.471 5.503 1.00 0.00 H new ATOM 0 HE2 PHE A 90 97.888 -12.474 5.048 1.00 0.00 H new ATOM 0 HZ PHE A 90 99.625 -10.935 4.168 1.00 0.00 H new ATOM 1481 N SER A 91 101.783 -11.630 11.520 1.00 0.00 N ATOM 1482 CA SER A 91 102.981 -10.819 11.877 1.00 0.00 C ATOM 1483 C SER A 91 102.620 -9.335 11.809 1.00 0.00 C ATOM 1484 O SER A 91 101.467 -8.974 11.674 1.00 0.00 O ATOM 1485 CB SER A 91 104.113 -11.117 10.892 1.00 0.00 C ATOM 1486 OG SER A 91 105.311 -11.365 11.614 1.00 0.00 O ATOM 0 H SER A 91 101.526 -12.349 12.196 1.00 0.00 H new ATOM 0 HA SER A 91 103.307 -11.071 12.886 1.00 0.00 H new ATOM 0 HB2 SER A 91 103.859 -11.982 10.279 1.00 0.00 H new ATOM 0 HB3 SER A 91 104.251 -10.275 10.214 1.00 0.00 H new ATOM 0 HG SER A 91 106.018 -11.636 10.992 1.00 0.00 H new ATOM 1492 N PHE A 92 103.591 -8.467 11.898 1.00 0.00 N ATOM 1493 CA PHE A 92 103.289 -7.010 11.835 1.00 0.00 C ATOM 1494 C PHE A 92 103.231 -6.568 10.368 1.00 0.00 C ATOM 1495 O PHE A 92 103.581 -7.312 9.475 1.00 0.00 O ATOM 1496 CB PHE A 92 104.376 -6.230 12.600 1.00 0.00 C ATOM 1497 CG PHE A 92 105.490 -5.800 11.670 1.00 0.00 C ATOM 1498 CD1 PHE A 92 105.328 -4.666 10.866 1.00 0.00 C ATOM 1499 CD2 PHE A 92 106.683 -6.531 11.612 1.00 0.00 C ATOM 1500 CE1 PHE A 92 106.354 -4.264 10.007 1.00 0.00 C ATOM 1501 CE2 PHE A 92 107.709 -6.128 10.753 1.00 0.00 C ATOM 1502 CZ PHE A 92 107.546 -4.994 9.950 1.00 0.00 C ATOM 0 H PHE A 92 104.577 -8.703 12.011 1.00 0.00 H new ATOM 0 HA PHE A 92 102.324 -6.806 12.299 1.00 0.00 H new ATOM 0 HB2 PHE A 92 103.934 -5.353 13.074 1.00 0.00 H new ATOM 0 HB3 PHE A 92 104.783 -6.852 13.397 1.00 0.00 H new ATOM 0 HD1 PHE A 92 104.409 -4.101 10.910 1.00 0.00 H new ATOM 0 HD2 PHE A 92 106.810 -7.407 12.231 1.00 0.00 H new ATOM 0 HE1 PHE A 92 106.227 -3.389 9.387 1.00 0.00 H new ATOM 0 HE2 PHE A 92 108.629 -6.693 10.709 1.00 0.00 H new ATOM 0 HZ PHE A 92 108.340 -4.683 9.287 1.00 0.00 H new ATOM 1512 N LEU A 93 102.793 -5.364 10.112 1.00 0.00 N ATOM 1513 CA LEU A 93 102.716 -4.878 8.703 1.00 0.00 C ATOM 1514 C LEU A 93 102.699 -3.346 8.709 1.00 0.00 C ATOM 1515 O LEU A 93 101.719 -2.728 9.077 1.00 0.00 O ATOM 1516 CB LEU A 93 101.418 -5.406 8.053 1.00 0.00 C ATOM 1517 CG LEU A 93 101.665 -6.268 6.785 1.00 0.00 C ATOM 1518 CD1 LEU A 93 101.110 -5.536 5.564 1.00 0.00 C ATOM 1519 CD2 LEU A 93 103.153 -6.554 6.547 1.00 0.00 C ATOM 0 H LEU A 93 102.485 -4.695 10.818 1.00 0.00 H new ATOM 0 HA LEU A 93 103.576 -5.235 8.136 1.00 0.00 H new ATOM 0 HB2 LEU A 93 100.870 -6.000 8.785 1.00 0.00 H new ATOM 0 HB3 LEU A 93 100.783 -4.560 7.789 1.00 0.00 H new ATOM 0 HG LEU A 93 101.161 -7.222 6.940 1.00 0.00 H new ATOM 0 HD11 LEU A 93 101.281 -6.137 4.671 1.00 0.00 H new ATOM 0 HD12 LEU A 93 100.040 -5.373 5.693 1.00 0.00 H new ATOM 0 HD13 LEU A 93 101.613 -4.575 5.456 1.00 0.00 H new ATOM 0 HD21 LEU A 93 103.268 -7.160 5.648 1.00 0.00 H new ATOM 0 HD22 LEU A 93 103.689 -5.613 6.421 1.00 0.00 H new ATOM 0 HD23 LEU A 93 103.561 -7.093 7.402 1.00 0.00 H new ATOM 1531 N ILE A 94 103.780 -2.728 8.314 1.00 0.00 N ATOM 1532 CA ILE A 94 103.830 -1.237 8.307 1.00 0.00 C ATOM 1533 C ILE A 94 103.941 -0.726 6.868 1.00 0.00 C ATOM 1534 O ILE A 94 105.022 -0.520 6.355 1.00 0.00 O ATOM 1535 CB ILE A 94 105.047 -0.770 9.107 1.00 0.00 C ATOM 1536 CG1 ILE A 94 104.926 -1.258 10.552 1.00 0.00 C ATOM 1537 CG2 ILE A 94 105.115 0.757 9.090 1.00 0.00 C ATOM 1538 CD1 ILE A 94 106.305 -1.674 11.069 1.00 0.00 C ATOM 0 H ILE A 94 104.631 -3.192 7.996 1.00 0.00 H new ATOM 0 HA ILE A 94 102.919 -0.844 8.757 1.00 0.00 H new ATOM 0 HB ILE A 94 105.953 -1.179 8.659 1.00 0.00 H new ATOM 0 HG12 ILE A 94 104.514 -0.468 11.180 1.00 0.00 H new ATOM 0 HG13 ILE A 94 104.237 -2.101 10.606 1.00 0.00 H new ATOM 0 HG21 ILE A 94 105.983 1.089 9.660 1.00 0.00 H new ATOM 0 HG22 ILE A 94 105.202 1.106 8.061 1.00 0.00 H new ATOM 0 HG23 ILE A 94 104.209 1.167 9.537 1.00 0.00 H new ATOM 0 HD11 ILE A 94 106.218 -2.021 12.098 1.00 0.00 H new ATOM 0 HD12 ILE A 94 106.700 -2.477 10.447 1.00 0.00 H new ATOM 0 HD13 ILE A 94 106.981 -0.820 11.030 1.00 0.00 H new ATOM 1550 N CYS A 95 102.831 -0.513 6.213 1.00 0.00 N ATOM 1551 CA CYS A 95 102.874 -0.010 4.810 1.00 0.00 C ATOM 1552 C CYS A 95 102.811 1.521 4.816 1.00 0.00 C ATOM 1553 O CYS A 95 101.971 2.113 5.463 1.00 0.00 O ATOM 1554 CB CYS A 95 101.678 -0.572 4.034 1.00 0.00 C ATOM 1555 SG CYS A 95 101.499 0.303 2.458 1.00 0.00 S ATOM 0 H CYS A 95 101.896 -0.666 6.590 1.00 0.00 H new ATOM 0 HA CYS A 95 103.800 -0.331 4.333 1.00 0.00 H new ATOM 0 HB2 CYS A 95 101.819 -1.638 3.854 1.00 0.00 H new ATOM 0 HB3 CYS A 95 100.768 -0.466 4.624 1.00 0.00 H new ATOM 0 HG CYS A 95 100.484 -0.181 1.806 1.00 0.00 H new ATOM 1561 N LYS A 96 103.692 2.169 4.098 1.00 0.00 N ATOM 1562 CA LYS A 96 103.671 3.659 4.070 1.00 0.00 C ATOM 1563 C LYS A 96 104.156 4.157 2.707 1.00 0.00 C ATOM 1564 O LYS A 96 105.223 3.803 2.250 1.00 0.00 O ATOM 1565 CB LYS A 96 104.590 4.203 5.167 1.00 0.00 C ATOM 1566 CG LYS A 96 104.278 5.681 5.409 1.00 0.00 C ATOM 1567 CD LYS A 96 103.107 5.803 6.387 1.00 0.00 C ATOM 1568 CE LYS A 96 103.597 6.427 7.695 1.00 0.00 C ATOM 1569 NZ LYS A 96 102.891 5.792 8.843 1.00 0.00 N ATOM 0 H LYS A 96 104.421 1.732 3.533 1.00 0.00 H new ATOM 0 HA LYS A 96 102.652 4.008 4.240 1.00 0.00 H new ATOM 0 HB2 LYS A 96 104.450 3.636 6.087 1.00 0.00 H new ATOM 0 HB3 LYS A 96 105.633 4.084 4.874 1.00 0.00 H new ATOM 0 HG2 LYS A 96 105.155 6.188 5.811 1.00 0.00 H new ATOM 0 HG3 LYS A 96 104.031 6.170 4.467 1.00 0.00 H new ATOM 0 HD2 LYS A 96 102.318 6.417 5.952 1.00 0.00 H new ATOM 0 HD3 LYS A 96 102.676 4.820 6.579 1.00 0.00 H new ATOM 0 HE2 LYS A 96 104.674 6.289 7.795 1.00 0.00 H new ATOM 0 HE3 LYS A 96 103.412 7.501 7.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 102.197 6.459 9.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 102.401 4.934 8.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 103.582 5.538 9.578 1.00 0.00 H new ATOM 1583 N GLY A 97 103.379 4.980 2.053 1.00 0.00 N ATOM 1584 CA GLY A 97 103.798 5.501 0.722 1.00 0.00 C ATOM 1585 C GLY A 97 105.117 6.260 0.865 1.00 0.00 C ATOM 1586 O GLY A 97 105.709 6.296 1.924 1.00 0.00 O ATOM 0 H GLY A 97 102.473 5.313 2.384 1.00 0.00 H new ATOM 0 HA2 GLY A 97 103.914 4.678 0.017 1.00 0.00 H new ATOM 0 HA3 GLY A 97 103.029 6.160 0.319 1.00 0.00 H new ATOM 1590 N VAL A 98 105.584 6.866 -0.193 1.00 0.00 N ATOM 1591 CA VAL A 98 106.866 7.621 -0.113 1.00 0.00 C ATOM 1592 C VAL A 98 106.843 8.775 -1.118 1.00 0.00 C ATOM 1593 O VAL A 98 106.397 8.628 -2.238 1.00 0.00 O ATOM 1594 CB VAL A 98 108.032 6.684 -0.440 1.00 0.00 C ATOM 1595 CG1 VAL A 98 109.339 7.478 -0.446 1.00 0.00 C ATOM 1596 CG2 VAL A 98 108.113 5.581 0.618 1.00 0.00 C ATOM 0 H VAL A 98 105.133 6.871 -1.108 1.00 0.00 H new ATOM 0 HA VAL A 98 106.990 8.019 0.894 1.00 0.00 H new ATOM 0 HB VAL A 98 107.873 6.237 -1.421 1.00 0.00 H new ATOM 0 HG11 VAL A 98 110.169 6.811 -0.679 1.00 0.00 H new ATOM 0 HG12 VAL A 98 109.284 8.264 -1.199 1.00 0.00 H new ATOM 0 HG13 VAL A 98 109.497 7.925 0.535 1.00 0.00 H new ATOM 0 HG21 VAL A 98 108.943 4.914 0.385 1.00 0.00 H new ATOM 0 HG22 VAL A 98 108.271 6.029 1.599 1.00 0.00 H new ATOM 0 HG23 VAL A 98 107.182 5.014 0.624 1.00 0.00 H new ATOM 1606 N ASN A 99 107.326 9.924 -0.727 1.00 0.00 N ATOM 1607 CA ASN A 99 107.334 11.085 -1.662 1.00 0.00 C ATOM 1608 C ASN A 99 108.680 11.137 -2.389 1.00 0.00 C ATOM 1609 O ASN A 99 108.740 11.223 -3.600 1.00 0.00 O ATOM 1610 CB ASN A 99 107.132 12.380 -0.872 1.00 0.00 C ATOM 1611 CG ASN A 99 105.645 12.558 -0.554 1.00 0.00 C ATOM 1612 OD1 ASN A 99 104.960 11.539 -0.113 1.00 0.00 O flip ATOM 1613 ND2 ASN A 99 105.104 13.635 -0.708 1.00 0.00 N flip ATOM 0 H ASN A 99 107.715 10.108 0.198 1.00 0.00 H new ATOM 0 HA ASN A 99 106.528 10.975 -2.388 1.00 0.00 H new ATOM 0 HB2 ASN A 99 107.711 12.349 0.051 1.00 0.00 H new ATOM 0 HB3 ASN A 99 107.496 13.231 -1.448 1.00 0.00 H new ATOM 0 HD21 ASN A 99 105.641 14.431 -1.053 1.00 0.00 H new ATOM 0 HD22 ASN A 99 104.113 13.743 -0.492 1.00 0.00 H new ATOM 1620 N LYS A 100 109.760 11.081 -1.660 1.00 0.00 N ATOM 1621 CA LYS A 100 111.102 11.122 -2.306 1.00 0.00 C ATOM 1622 C LYS A 100 111.586 9.691 -2.553 1.00 0.00 C ATOM 1623 O LYS A 100 112.319 9.129 -1.765 1.00 0.00 O ATOM 1624 CB LYS A 100 112.088 11.845 -1.387 1.00 0.00 C ATOM 1625 CG LYS A 100 111.874 13.357 -1.494 1.00 0.00 C ATOM 1626 CD LYS A 100 112.778 13.926 -2.588 1.00 0.00 C ATOM 1627 CE LYS A 100 112.492 15.418 -2.764 1.00 0.00 C ATOM 1628 NZ LYS A 100 113.489 16.007 -3.701 1.00 0.00 N ATOM 0 H LYS A 100 109.771 11.008 -0.643 1.00 0.00 H new ATOM 0 HA LYS A 100 111.037 11.654 -3.255 1.00 0.00 H new ATOM 0 HB2 LYS A 100 111.946 11.519 -0.356 1.00 0.00 H new ATOM 0 HB3 LYS A 100 113.111 11.592 -1.663 1.00 0.00 H new ATOM 0 HG2 LYS A 100 110.830 13.572 -1.723 1.00 0.00 H new ATOM 0 HG3 LYS A 100 112.096 13.834 -0.540 1.00 0.00 H new ATOM 0 HD2 LYS A 100 113.825 13.775 -2.324 1.00 0.00 H new ATOM 0 HD3 LYS A 100 112.606 13.399 -3.527 1.00 0.00 H new ATOM 0 HE2 LYS A 100 111.483 15.563 -3.151 1.00 0.00 H new ATOM 0 HE3 LYS A 100 112.539 15.925 -1.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 113.295 17.022 -3.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 114.446 15.881 -3.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 113.423 15.530 -4.623 1.00 0.00 H new ATOM 1642 N GLU A 101 111.177 9.098 -3.641 1.00 0.00 N ATOM 1643 CA GLU A 101 111.607 7.703 -3.937 1.00 0.00 C ATOM 1644 C GLU A 101 113.129 7.652 -4.091 1.00 0.00 C ATOM 1645 O GLU A 101 113.809 6.946 -3.376 1.00 0.00 O ATOM 1646 CB GLU A 101 110.948 7.233 -5.235 1.00 0.00 C ATOM 1647 CG GLU A 101 111.292 5.762 -5.477 1.00 0.00 C ATOM 1648 CD GLU A 101 110.392 4.877 -4.612 1.00 0.00 C ATOM 1649 OE1 GLU A 101 110.112 5.267 -3.491 1.00 0.00 O ATOM 1650 OE2 GLU A 101 109.997 3.825 -5.087 1.00 0.00 O ATOM 0 H GLU A 101 110.563 9.520 -4.338 1.00 0.00 H new ATOM 0 HA GLU A 101 111.306 7.051 -3.117 1.00 0.00 H new ATOM 0 HB2 GLU A 101 109.867 7.360 -5.173 1.00 0.00 H new ATOM 0 HB3 GLU A 101 111.293 7.841 -6.072 1.00 0.00 H new ATOM 0 HG2 GLU A 101 111.158 5.515 -6.530 1.00 0.00 H new ATOM 0 HG3 GLU A 101 112.339 5.578 -5.237 1.00 0.00 H new ATOM 1657 N TYR A 102 113.666 8.389 -5.024 1.00 0.00 N ATOM 1658 CA TYR A 102 115.145 8.382 -5.232 1.00 0.00 C ATOM 1659 C TYR A 102 115.869 8.373 -3.884 1.00 0.00 C ATOM 1660 O TYR A 102 116.825 7.648 -3.690 1.00 0.00 O ATOM 1661 CB TYR A 102 115.557 9.636 -6.009 1.00 0.00 C ATOM 1662 CG TYR A 102 117.059 9.653 -6.186 1.00 0.00 C ATOM 1663 CD1 TYR A 102 117.898 9.887 -5.086 1.00 0.00 C ATOM 1664 CD2 TYR A 102 117.614 9.434 -7.452 1.00 0.00 C ATOM 1665 CE1 TYR A 102 119.288 9.898 -5.256 1.00 0.00 C ATOM 1666 CE2 TYR A 102 119.002 9.445 -7.622 1.00 0.00 C ATOM 1667 CZ TYR A 102 119.840 9.676 -6.524 1.00 0.00 C ATOM 1668 OH TYR A 102 121.210 9.688 -6.691 1.00 0.00 O ATOM 0 H TYR A 102 113.144 8.998 -5.654 1.00 0.00 H new ATOM 0 HA TYR A 102 115.416 7.488 -5.793 1.00 0.00 H new ATOM 0 HB2 TYR A 102 115.066 9.651 -6.982 1.00 0.00 H new ATOM 0 HB3 TYR A 102 115.234 10.530 -5.475 1.00 0.00 H new ATOM 0 HD1 TYR A 102 117.472 10.059 -4.109 1.00 0.00 H new ATOM 0 HD2 TYR A 102 116.969 9.256 -8.300 1.00 0.00 H new ATOM 0 HE1 TYR A 102 119.934 10.078 -4.410 1.00 0.00 H new ATOM 0 HE2 TYR A 102 119.428 9.275 -8.600 1.00 0.00 H new ATOM 0 HH TYR A 102 121.643 9.389 -5.864 1.00 0.00 H new ATOM 1678 N LEU A 103 115.442 9.188 -2.960 1.00 0.00 N ATOM 1679 CA LEU A 103 116.131 9.236 -1.641 1.00 0.00 C ATOM 1680 C LEU A 103 115.871 7.953 -0.849 1.00 0.00 C ATOM 1681 O LEU A 103 116.775 7.185 -0.605 1.00 0.00 O ATOM 1682 CB LEU A 103 115.625 10.436 -0.842 1.00 0.00 C ATOM 1683 CG LEU A 103 116.759 11.448 -0.666 1.00 0.00 C ATOM 1684 CD1 LEU A 103 116.335 12.525 0.330 1.00 0.00 C ATOM 1685 CD2 LEU A 103 118.007 10.735 -0.143 1.00 0.00 C ATOM 0 H LEU A 103 114.648 9.821 -3.061 1.00 0.00 H new ATOM 0 HA LEU A 103 117.203 9.331 -1.813 1.00 0.00 H new ATOM 0 HB2 LEU A 103 114.785 10.901 -1.358 1.00 0.00 H new ATOM 0 HB3 LEU A 103 115.260 10.110 0.132 1.00 0.00 H new ATOM 0 HG LEU A 103 116.981 11.910 -1.628 1.00 0.00 H new ATOM 0 HD11 LEU A 103 117.144 13.245 0.454 1.00 0.00 H new ATOM 0 HD12 LEU A 103 115.448 13.037 -0.043 1.00 0.00 H new ATOM 0 HD13 LEU A 103 116.110 12.063 1.291 1.00 0.00 H new ATOM 0 HD21 LEU A 103 118.814 11.458 -0.018 1.00 0.00 H new ATOM 0 HD22 LEU A 103 117.785 10.270 0.817 1.00 0.00 H new ATOM 0 HD23 LEU A 103 118.313 9.969 -0.855 1.00 0.00 H new ATOM 1697 N MET A 104 114.651 7.728 -0.434 1.00 0.00 N ATOM 1698 CA MET A 104 114.332 6.497 0.360 1.00 0.00 C ATOM 1699 C MET A 104 115.188 5.320 -0.122 1.00 0.00 C ATOM 1700 O MET A 104 115.736 4.575 0.665 1.00 0.00 O ATOM 1701 CB MET A 104 112.853 6.148 0.181 1.00 0.00 C ATOM 1702 CG MET A 104 112.292 5.546 1.474 1.00 0.00 C ATOM 1703 SD MET A 104 113.429 4.294 2.117 1.00 0.00 S ATOM 1704 CE MET A 104 112.331 3.631 3.394 1.00 0.00 C ATOM 0 H MET A 104 113.857 8.344 -0.610 1.00 0.00 H new ATOM 0 HA MET A 104 114.546 6.688 1.412 1.00 0.00 H new ATOM 0 HB2 MET A 104 112.290 7.042 -0.087 1.00 0.00 H new ATOM 0 HB3 MET A 104 112.735 5.440 -0.639 1.00 0.00 H new ATOM 0 HG2 MET A 104 112.144 6.331 2.216 1.00 0.00 H new ATOM 0 HG3 MET A 104 111.316 5.100 1.284 1.00 0.00 H new ATOM 0 HE1 MET A 104 112.818 2.793 3.893 1.00 0.00 H new ATOM 0 HE2 MET A 104 112.110 4.410 4.124 1.00 0.00 H new ATOM 0 HE3 MET A 104 111.403 3.290 2.935 1.00 0.00 H new ATOM 1714 N TYR A 105 115.312 5.153 -1.410 1.00 0.00 N ATOM 1715 CA TYR A 105 116.134 4.030 -1.947 1.00 0.00 C ATOM 1716 C TYR A 105 117.615 4.302 -1.662 1.00 0.00 C ATOM 1717 O TYR A 105 118.337 3.439 -1.205 1.00 0.00 O ATOM 1718 CB TYR A 105 115.912 3.923 -3.457 1.00 0.00 C ATOM 1719 CG TYR A 105 116.888 2.941 -4.053 1.00 0.00 C ATOM 1720 CD1 TYR A 105 118.164 3.370 -4.433 1.00 0.00 C ATOM 1721 CD2 TYR A 105 116.517 1.599 -4.230 1.00 0.00 C ATOM 1722 CE1 TYR A 105 119.071 2.462 -4.987 1.00 0.00 C ATOM 1723 CE2 TYR A 105 117.424 0.693 -4.786 1.00 0.00 C ATOM 1724 CZ TYR A 105 118.703 1.122 -5.163 1.00 0.00 C ATOM 1725 OH TYR A 105 119.597 0.226 -5.712 1.00 0.00 O ATOM 0 H TYR A 105 114.878 5.747 -2.116 1.00 0.00 H new ATOM 0 HA TYR A 105 115.841 3.096 -1.468 1.00 0.00 H new ATOM 0 HB2 TYR A 105 114.890 3.602 -3.661 1.00 0.00 H new ATOM 0 HB3 TYR A 105 116.038 4.901 -3.922 1.00 0.00 H new ATOM 0 HD1 TYR A 105 118.449 4.403 -4.298 1.00 0.00 H new ATOM 0 HD2 TYR A 105 115.532 1.267 -3.937 1.00 0.00 H new ATOM 0 HE1 TYR A 105 120.056 2.794 -5.280 1.00 0.00 H new ATOM 0 HE2 TYR A 105 117.139 -0.339 -4.925 1.00 0.00 H new ATOM 0 HH TYR A 105 119.182 -0.660 -5.763 1.00 0.00 H new ATOM 1735 N SER A 106 118.072 5.496 -1.927 1.00 0.00 N ATOM 1736 CA SER A 106 119.504 5.823 -1.670 1.00 0.00 C ATOM 1737 C SER A 106 119.840 5.520 -0.206 1.00 0.00 C ATOM 1738 O SER A 106 120.698 4.714 0.089 1.00 0.00 O ATOM 1739 CB SER A 106 119.746 7.306 -1.952 1.00 0.00 C ATOM 1740 OG SER A 106 120.837 7.440 -2.854 1.00 0.00 O ATOM 0 H SER A 106 117.515 6.260 -2.311 1.00 0.00 H new ATOM 0 HA SER A 106 120.138 5.221 -2.321 1.00 0.00 H new ATOM 0 HB2 SER A 106 118.850 7.758 -2.377 1.00 0.00 H new ATOM 0 HB3 SER A 106 119.960 7.835 -1.023 1.00 0.00 H new ATOM 0 HG SER A 106 120.994 8.390 -3.039 1.00 0.00 H new ATOM 1746 N ALA A 107 119.171 6.163 0.712 1.00 0.00 N ATOM 1747 CA ALA A 107 119.448 5.911 2.153 1.00 0.00 C ATOM 1748 C ALA A 107 119.245 4.422 2.454 1.00 0.00 C ATOM 1749 O ALA A 107 119.808 3.885 3.387 1.00 0.00 O ATOM 1750 CB ALA A 107 118.488 6.745 3.008 1.00 0.00 C ATOM 0 H ALA A 107 118.443 6.853 0.525 1.00 0.00 H new ATOM 0 HA ALA A 107 120.475 6.192 2.385 1.00 0.00 H new ATOM 0 HB1 ALA A 107 118.689 6.562 4.064 1.00 0.00 H new ATOM 0 HB2 ALA A 107 118.632 7.803 2.789 1.00 0.00 H new ATOM 0 HB3 ALA A 107 117.460 6.464 2.780 1.00 0.00 H new ATOM 1756 N LEU A 108 118.444 3.751 1.669 1.00 0.00 N ATOM 1757 CA LEU A 108 118.205 2.298 1.908 1.00 0.00 C ATOM 1758 C LEU A 108 119.444 1.501 1.492 1.00 0.00 C ATOM 1759 O LEU A 108 119.753 0.472 2.061 1.00 0.00 O ATOM 1760 CB LEU A 108 117.007 1.834 1.076 1.00 0.00 C ATOM 1761 CG LEU A 108 115.714 2.060 1.861 1.00 0.00 C ATOM 1762 CD1 LEU A 108 114.517 1.689 0.985 1.00 0.00 C ATOM 1763 CD2 LEU A 108 115.719 1.186 3.117 1.00 0.00 C ATOM 0 H LEU A 108 117.945 4.147 0.872 1.00 0.00 H new ATOM 0 HA LEU A 108 118.002 2.135 2.966 1.00 0.00 H new ATOM 0 HB2 LEU A 108 116.972 2.382 0.134 1.00 0.00 H new ATOM 0 HB3 LEU A 108 117.112 0.778 0.827 1.00 0.00 H new ATOM 0 HG LEU A 108 115.642 3.108 2.150 1.00 0.00 H new ATOM 0 HD11 LEU A 108 113.594 1.849 1.543 1.00 0.00 H new ATOM 0 HD12 LEU A 108 114.513 2.312 0.091 1.00 0.00 H new ATOM 0 HD13 LEU A 108 114.589 0.640 0.696 1.00 0.00 H new ATOM 0 HD21 LEU A 108 114.797 1.347 3.676 1.00 0.00 H new ATOM 0 HD22 LEU A 108 115.790 0.137 2.830 1.00 0.00 H new ATOM 0 HD23 LEU A 108 116.573 1.450 3.741 1.00 0.00 H new ATOM 1775 N THR A 109 120.158 1.968 0.505 1.00 0.00 N ATOM 1776 CA THR A 109 121.376 1.238 0.052 1.00 0.00 C ATOM 1777 C THR A 109 122.531 1.550 1.003 1.00 0.00 C ATOM 1778 O THR A 109 123.462 0.781 1.141 1.00 0.00 O ATOM 1779 CB THR A 109 121.745 1.687 -1.365 1.00 0.00 C ATOM 1780 OG1 THR A 109 122.392 2.950 -1.304 1.00 0.00 O ATOM 1781 CG2 THR A 109 120.478 1.800 -2.213 1.00 0.00 C ATOM 0 H THR A 109 119.950 2.825 -0.008 1.00 0.00 H new ATOM 0 HA THR A 109 121.181 0.166 0.051 1.00 0.00 H new ATOM 0 HB THR A 109 122.415 0.956 -1.816 1.00 0.00 H new ATOM 0 HG1 THR A 109 121.822 3.587 -0.824 1.00 0.00 H new ATOM 0 HG21 THR A 109 120.742 2.120 -3.221 1.00 0.00 H new ATOM 0 HG22 THR A 109 119.983 0.830 -2.258 1.00 0.00 H new ATOM 0 HG23 THR A 109 119.805 2.531 -1.765 1.00 0.00 H new ATOM 1789 N ARG A 110 122.474 2.672 1.666 1.00 0.00 N ATOM 1790 CA ARG A 110 123.563 3.034 2.613 1.00 0.00 C ATOM 1791 C ARG A 110 123.206 2.517 4.008 1.00 0.00 C ATOM 1792 O ARG A 110 122.078 2.615 4.446 1.00 0.00 O ATOM 1793 CB ARG A 110 123.718 4.555 2.657 1.00 0.00 C ATOM 1794 CG ARG A 110 125.190 4.926 2.464 1.00 0.00 C ATOM 1795 CD ARG A 110 125.366 5.634 1.119 1.00 0.00 C ATOM 1796 NE ARG A 110 126.816 5.713 0.785 1.00 0.00 N ATOM 1797 CZ ARG A 110 127.384 4.748 0.115 1.00 0.00 C ATOM 1798 NH1 ARG A 110 127.021 4.506 -1.115 1.00 0.00 N ATOM 1799 NH2 ARG A 110 128.316 4.027 0.675 1.00 0.00 N ATOM 0 H ARG A 110 121.719 3.354 1.592 1.00 0.00 H new ATOM 0 HA ARG A 110 124.500 2.586 2.283 1.00 0.00 H new ATOM 0 HB2 ARG A 110 123.111 5.015 1.877 1.00 0.00 H new ATOM 0 HB3 ARG A 110 123.357 4.940 3.611 1.00 0.00 H new ATOM 0 HG2 ARG A 110 125.522 5.575 3.275 1.00 0.00 H new ATOM 0 HG3 ARG A 110 125.809 4.030 2.499 1.00 0.00 H new ATOM 0 HD2 ARG A 110 124.831 5.093 0.338 1.00 0.00 H new ATOM 0 HD3 ARG A 110 124.937 6.635 1.164 1.00 0.00 H new ATOM 0 HE ARG A 110 127.364 6.521 1.080 1.00 0.00 H new ATOM 0 HH11 ARG A 110 126.293 5.071 -1.553 1.00 0.00 H new ATOM 0 HH12 ARG A 110 127.465 3.752 -1.639 1.00 0.00 H new ATOM 0 HH21 ARG A 110 128.600 4.218 1.636 1.00 0.00 H new ATOM 0 HH22 ARG A 110 128.760 3.272 0.152 1.00 0.00 H new ATOM 1813 N ASP A 111 124.158 1.966 4.709 1.00 0.00 N ATOM 1814 CA ASP A 111 123.866 1.445 6.074 1.00 0.00 C ATOM 1815 C ASP A 111 123.014 2.466 6.833 1.00 0.00 C ATOM 1816 O ASP A 111 123.004 3.633 6.497 1.00 0.00 O ATOM 1817 CB ASP A 111 125.180 1.219 6.825 1.00 0.00 C ATOM 1818 CG ASP A 111 125.741 -0.158 6.466 1.00 0.00 C ATOM 1819 OD1 ASP A 111 125.080 -0.872 5.730 1.00 0.00 O ATOM 1820 OD2 ASP A 111 126.821 -0.477 6.936 1.00 0.00 O ATOM 0 H ASP A 111 125.123 1.854 4.397 1.00 0.00 H new ATOM 0 HA ASP A 111 123.325 0.502 5.998 1.00 0.00 H new ATOM 0 HB2 ASP A 111 125.899 1.996 6.564 1.00 0.00 H new ATOM 0 HB3 ASP A 111 125.013 1.287 7.900 1.00 0.00 H new ATOM 1825 N PRO A 112 122.323 1.992 7.837 1.00 0.00 N ATOM 1826 CA PRO A 112 122.342 0.572 8.235 1.00 0.00 C ATOM 1827 C PRO A 112 121.436 -0.257 7.318 1.00 0.00 C ATOM 1828 O PRO A 112 121.191 -1.422 7.563 1.00 0.00 O ATOM 1829 CB PRO A 112 121.791 0.594 9.663 1.00 0.00 C ATOM 1830 CG PRO A 112 120.968 1.899 9.792 1.00 0.00 C ATOM 1831 CD PRO A 112 121.458 2.842 8.676 1.00 0.00 C ATOM 0 HA PRO A 112 123.333 0.123 8.168 1.00 0.00 H new ATOM 0 HB2 PRO A 112 121.167 -0.279 9.852 1.00 0.00 H new ATOM 0 HB3 PRO A 112 122.601 0.571 10.392 1.00 0.00 H new ATOM 0 HG2 PRO A 112 119.902 1.697 9.688 1.00 0.00 H new ATOM 0 HG3 PRO A 112 121.112 2.352 10.773 1.00 0.00 H new ATOM 0 HD2 PRO A 112 120.624 3.249 8.104 1.00 0.00 H new ATOM 0 HD3 PRO A 112 122.008 3.690 9.084 1.00 0.00 H new ATOM 1839 N PHE A 113 120.933 0.332 6.266 1.00 0.00 N ATOM 1840 CA PHE A 113 120.042 -0.431 5.344 1.00 0.00 C ATOM 1841 C PHE A 113 120.895 -1.233 4.357 1.00 0.00 C ATOM 1842 O PHE A 113 121.438 -0.695 3.412 1.00 0.00 O ATOM 1843 CB PHE A 113 119.145 0.542 4.572 1.00 0.00 C ATOM 1844 CG PHE A 113 118.271 1.303 5.541 1.00 0.00 C ATOM 1845 CD1 PHE A 113 117.130 0.699 6.085 1.00 0.00 C ATOM 1846 CD2 PHE A 113 118.604 2.616 5.897 1.00 0.00 C ATOM 1847 CE1 PHE A 113 116.325 1.407 6.983 1.00 0.00 C ATOM 1848 CE2 PHE A 113 117.798 3.323 6.795 1.00 0.00 C ATOM 1849 CZ PHE A 113 116.658 2.718 7.339 1.00 0.00 C ATOM 0 H PHE A 113 121.099 1.304 6.006 1.00 0.00 H new ATOM 0 HA PHE A 113 119.420 -1.112 5.924 1.00 0.00 H new ATOM 0 HB2 PHE A 113 119.756 1.236 3.995 1.00 0.00 H new ATOM 0 HB3 PHE A 113 118.526 -0.005 3.860 1.00 0.00 H new ATOM 0 HD1 PHE A 113 116.872 -0.313 5.811 1.00 0.00 H new ATOM 0 HD2 PHE A 113 119.483 3.083 5.478 1.00 0.00 H new ATOM 0 HE1 PHE A 113 115.445 0.941 7.402 1.00 0.00 H new ATOM 0 HE2 PHE A 113 118.055 4.336 7.069 1.00 0.00 H new ATOM 0 HZ PHE A 113 116.036 3.264 8.033 1.00 0.00 H new ATOM 1859 N SER A 114 121.020 -2.515 4.570 1.00 0.00 N ATOM 1860 CA SER A 114 121.839 -3.350 3.645 1.00 0.00 C ATOM 1861 C SER A 114 120.955 -3.890 2.521 1.00 0.00 C ATOM 1862 O SER A 114 120.097 -4.723 2.738 1.00 0.00 O ATOM 1863 CB SER A 114 122.453 -4.518 4.419 1.00 0.00 C ATOM 1864 OG SER A 114 123.432 -5.155 3.607 1.00 0.00 O ATOM 0 H SER A 114 120.590 -3.020 5.345 1.00 0.00 H new ATOM 0 HA SER A 114 122.634 -2.740 3.217 1.00 0.00 H new ATOM 0 HB2 SER A 114 122.907 -4.159 5.343 1.00 0.00 H new ATOM 0 HB3 SER A 114 121.678 -5.230 4.701 1.00 0.00 H new ATOM 0 HG SER A 114 123.829 -5.903 4.100 1.00 0.00 H new ATOM 1870 N VAL A 115 121.159 -3.425 1.320 1.00 0.00 N ATOM 1871 CA VAL A 115 120.333 -3.911 0.180 1.00 0.00 C ATOM 1872 C VAL A 115 120.416 -5.438 0.100 1.00 0.00 C ATOM 1873 O VAL A 115 121.390 -6.038 0.510 1.00 0.00 O ATOM 1874 CB VAL A 115 120.860 -3.306 -1.122 1.00 0.00 C ATOM 1875 CG1 VAL A 115 120.187 -3.991 -2.311 1.00 0.00 C ATOM 1876 CG2 VAL A 115 120.548 -1.808 -1.150 1.00 0.00 C ATOM 0 H VAL A 115 121.864 -2.728 1.078 1.00 0.00 H new ATOM 0 HA VAL A 115 119.296 -3.612 0.330 1.00 0.00 H new ATOM 0 HB VAL A 115 121.938 -3.453 -1.182 1.00 0.00 H new ATOM 0 HG11 VAL A 115 120.562 -3.560 -3.239 1.00 0.00 H new ATOM 0 HG12 VAL A 115 120.410 -5.058 -2.290 1.00 0.00 H new ATOM 0 HG13 VAL A 115 119.108 -3.844 -2.253 1.00 0.00 H new ATOM 0 HG21 VAL A 115 120.923 -1.375 -2.078 1.00 0.00 H new ATOM 0 HG22 VAL A 115 119.470 -1.660 -1.091 1.00 0.00 H new ATOM 0 HG23 VAL A 115 121.029 -1.320 -0.302 1.00 0.00 H new ATOM 1886 N ILE A 116 119.403 -6.071 -0.428 1.00 0.00 N ATOM 1887 CA ILE A 116 119.427 -7.557 -0.535 1.00 0.00 C ATOM 1888 C ILE A 116 119.295 -7.966 -2.003 1.00 0.00 C ATOM 1889 O ILE A 116 120.223 -8.469 -2.604 1.00 0.00 O ATOM 1890 CB ILE A 116 118.261 -8.149 0.259 1.00 0.00 C ATOM 1891 CG1 ILE A 116 118.523 -7.977 1.756 1.00 0.00 C ATOM 1892 CG2 ILE A 116 118.126 -9.637 -0.070 1.00 0.00 C ATOM 1893 CD1 ILE A 116 117.295 -8.434 2.545 1.00 0.00 C ATOM 0 H ILE A 116 118.561 -5.623 -0.789 1.00 0.00 H new ATOM 0 HA ILE A 116 120.369 -7.931 -0.133 1.00 0.00 H new ATOM 0 HB ILE A 116 117.339 -7.633 -0.008 1.00 0.00 H new ATOM 0 HG12 ILE A 116 119.396 -8.559 2.052 1.00 0.00 H new ATOM 0 HG13 ILE A 116 118.744 -6.933 1.980 1.00 0.00 H new ATOM 0 HG21 ILE A 116 117.296 -10.061 0.495 1.00 0.00 H new ATOM 0 HG22 ILE A 116 117.938 -9.758 -1.137 1.00 0.00 H new ATOM 0 HG23 ILE A 116 119.048 -10.154 0.197 1.00 0.00 H new ATOM 0 HD11 ILE A 116 117.482 -8.311 3.612 1.00 0.00 H new ATOM 0 HD12 ILE A 116 116.433 -7.833 2.256 1.00 0.00 H new ATOM 0 HD13 ILE A 116 117.094 -9.484 2.330 1.00 0.00 H new ATOM 1905 N GLU A 117 118.144 -7.759 -2.582 1.00 0.00 N ATOM 1906 CA GLU A 117 117.947 -8.140 -4.008 1.00 0.00 C ATOM 1907 C GLU A 117 117.104 -7.075 -4.711 1.00 0.00 C ATOM 1908 O GLU A 117 116.706 -6.092 -4.120 1.00 0.00 O ATOM 1909 CB GLU A 117 117.223 -9.485 -4.077 1.00 0.00 C ATOM 1910 CG GLU A 117 118.198 -10.610 -3.726 1.00 0.00 C ATOM 1911 CD GLU A 117 118.117 -11.705 -4.790 1.00 0.00 C ATOM 1912 OE1 GLU A 117 117.016 -12.140 -5.083 1.00 0.00 O ATOM 1913 OE2 GLU A 117 119.161 -12.091 -5.294 1.00 0.00 O ATOM 0 H GLU A 117 117.331 -7.342 -2.128 1.00 0.00 H new ATOM 0 HA GLU A 117 118.916 -8.219 -4.500 1.00 0.00 H new ATOM 0 HB2 GLU A 117 116.380 -9.492 -3.386 1.00 0.00 H new ATOM 0 HB3 GLU A 117 116.817 -9.640 -5.077 1.00 0.00 H new ATOM 0 HG2 GLU A 117 119.214 -10.220 -3.667 1.00 0.00 H new ATOM 0 HG3 GLU A 117 117.957 -11.022 -2.746 1.00 0.00 H new ATOM 1920 N GLU A 118 116.824 -7.268 -5.970 1.00 0.00 N ATOM 1921 CA GLU A 118 116.002 -6.274 -6.714 1.00 0.00 C ATOM 1922 C GLU A 118 115.777 -6.772 -8.143 1.00 0.00 C ATOM 1923 O GLU A 118 116.609 -7.447 -8.714 1.00 0.00 O ATOM 1924 CB GLU A 118 116.731 -4.928 -6.750 1.00 0.00 C ATOM 1925 CG GLU A 118 118.239 -5.162 -6.855 1.00 0.00 C ATOM 1926 CD GLU A 118 118.570 -5.779 -8.214 1.00 0.00 C ATOM 1927 OE1 GLU A 118 117.860 -5.490 -9.163 1.00 0.00 O ATOM 1928 OE2 GLU A 118 119.530 -6.529 -8.284 1.00 0.00 O ATOM 0 H GLU A 118 117.130 -8.073 -6.517 1.00 0.00 H new ATOM 0 HA GLU A 118 115.041 -6.150 -6.215 1.00 0.00 H new ATOM 0 HB2 GLU A 118 116.385 -4.338 -7.599 1.00 0.00 H new ATOM 0 HB3 GLU A 118 116.504 -4.356 -5.850 1.00 0.00 H new ATOM 0 HG2 GLU A 118 118.773 -4.219 -6.733 1.00 0.00 H new ATOM 0 HG3 GLU A 118 118.571 -5.822 -6.054 1.00 0.00 H new ATOM 1935 N SER A 119 114.657 -6.442 -8.724 1.00 0.00 N ATOM 1936 CA SER A 119 114.379 -6.895 -10.115 1.00 0.00 C ATOM 1937 C SER A 119 114.656 -5.744 -11.082 1.00 0.00 C ATOM 1938 O SER A 119 114.144 -5.708 -12.182 1.00 0.00 O ATOM 1939 CB SER A 119 112.913 -7.315 -10.233 1.00 0.00 C ATOM 1940 OG SER A 119 112.703 -8.508 -9.489 1.00 0.00 O ATOM 0 H SER A 119 113.923 -5.878 -8.296 1.00 0.00 H new ATOM 0 HA SER A 119 115.019 -7.743 -10.358 1.00 0.00 H new ATOM 0 HB2 SER A 119 112.265 -6.522 -9.860 1.00 0.00 H new ATOM 0 HB3 SER A 119 112.652 -7.475 -11.279 1.00 0.00 H new ATOM 0 HG SER A 119 112.280 -8.289 -8.632 1.00 0.00 H new ATOM 1946 N LEU A 120 115.461 -4.801 -10.675 1.00 0.00 N ATOM 1947 CA LEU A 120 115.767 -3.652 -11.569 1.00 0.00 C ATOM 1948 C LEU A 120 117.279 -3.550 -11.783 1.00 0.00 C ATOM 1949 O LEU A 120 118.053 -3.962 -10.941 1.00 0.00 O ATOM 1950 CB LEU A 120 115.243 -2.363 -10.935 1.00 0.00 C ATOM 1951 CG LEU A 120 114.156 -1.778 -11.833 1.00 0.00 C ATOM 1952 CD1 LEU A 120 112.878 -2.603 -11.701 1.00 0.00 C ATOM 1953 CD2 LEU A 120 113.889 -0.323 -11.441 1.00 0.00 C ATOM 0 H LEU A 120 115.919 -4.778 -9.764 1.00 0.00 H new ATOM 0 HA LEU A 120 115.283 -3.803 -12.534 1.00 0.00 H new ATOM 0 HB2 LEU A 120 114.843 -2.567 -9.942 1.00 0.00 H new ATOM 0 HB3 LEU A 120 116.055 -1.647 -10.810 1.00 0.00 H new ATOM 0 HG LEU A 120 114.490 -1.808 -12.870 1.00 0.00 H new ATOM 0 HD11 LEU A 120 112.105 -2.182 -12.344 1.00 0.00 H new ATOM 0 HD12 LEU A 120 113.077 -3.632 -11.999 1.00 0.00 H new ATOM 0 HD13 LEU A 120 112.538 -2.585 -10.665 1.00 0.00 H new ATOM 0 HD21 LEU A 120 113.113 0.091 -12.085 1.00 0.00 H new ATOM 0 HD22 LEU A 120 113.560 -0.280 -10.403 1.00 0.00 H new ATOM 0 HD23 LEU A 120 114.804 0.259 -11.556 1.00 0.00 H new ATOM 1965 N PRO A 121 117.651 -3.010 -12.915 1.00 0.00 N ATOM 1966 CA PRO A 121 119.064 -2.843 -13.293 1.00 0.00 C ATOM 1967 C PRO A 121 119.663 -1.605 -12.614 1.00 0.00 C ATOM 1968 O PRO A 121 119.777 -0.554 -13.211 1.00 0.00 O ATOM 1969 CB PRO A 121 119.006 -2.653 -14.811 1.00 0.00 C ATOM 1970 CG PRO A 121 117.576 -2.154 -15.136 1.00 0.00 C ATOM 1971 CD PRO A 121 116.694 -2.515 -13.926 1.00 0.00 C ATOM 0 HA PRO A 121 119.689 -3.684 -12.993 1.00 0.00 H new ATOM 0 HB2 PRO A 121 119.753 -1.931 -15.141 1.00 0.00 H new ATOM 0 HB3 PRO A 121 119.217 -3.589 -15.328 1.00 0.00 H new ATOM 0 HG2 PRO A 121 117.572 -1.078 -15.310 1.00 0.00 H new ATOM 0 HG3 PRO A 121 117.199 -2.625 -16.044 1.00 0.00 H new ATOM 0 HD2 PRO A 121 116.143 -1.648 -13.562 1.00 0.00 H new ATOM 0 HD3 PRO A 121 115.957 -3.276 -14.183 1.00 0.00 H new ATOM 1979 N GLY A 122 120.051 -1.723 -11.373 1.00 0.00 N ATOM 1980 CA GLY A 122 120.646 -0.554 -10.667 1.00 0.00 C ATOM 1981 C GLY A 122 119.691 -0.066 -9.574 1.00 0.00 C ATOM 1982 O GLY A 122 120.049 0.743 -8.742 1.00 0.00 O ATOM 0 H GLY A 122 119.982 -2.577 -10.819 1.00 0.00 H new ATOM 0 HA2 GLY A 122 121.604 -0.832 -10.228 1.00 0.00 H new ATOM 0 HA3 GLY A 122 120.842 0.250 -11.377 1.00 0.00 H new ATOM 1986 N GLY A 123 118.480 -0.550 -9.570 1.00 0.00 N ATOM 1987 CA GLY A 123 117.508 -0.108 -8.530 1.00 0.00 C ATOM 1988 C GLY A 123 116.781 1.150 -9.010 1.00 0.00 C ATOM 1989 O GLY A 123 115.634 1.099 -9.408 1.00 0.00 O ATOM 0 H GLY A 123 118.122 -1.231 -10.240 1.00 0.00 H new ATOM 0 HA2 GLY A 123 116.789 -0.902 -8.329 1.00 0.00 H new ATOM 0 HA3 GLY A 123 118.028 0.095 -7.594 1.00 0.00 H new ATOM 1993 N LEU A 124 117.437 2.279 -8.977 1.00 0.00 N ATOM 1994 CA LEU A 124 116.772 3.535 -9.433 1.00 0.00 C ATOM 1995 C LEU A 124 117.817 4.519 -9.968 1.00 0.00 C ATOM 1996 O LEU A 124 118.995 4.407 -9.691 1.00 0.00 O ATOM 1997 CB LEU A 124 116.035 4.178 -8.258 1.00 0.00 C ATOM 1998 CG LEU A 124 114.582 3.703 -8.248 1.00 0.00 C ATOM 1999 CD1 LEU A 124 113.983 3.892 -6.848 1.00 0.00 C ATOM 2000 CD2 LEU A 124 113.772 4.510 -9.265 1.00 0.00 C ATOM 0 H LEU A 124 118.399 2.386 -8.656 1.00 0.00 H new ATOM 0 HA LEU A 124 116.065 3.293 -10.227 1.00 0.00 H new ATOM 0 HB2 LEU A 124 116.522 3.913 -7.320 1.00 0.00 H new ATOM 0 HB3 LEU A 124 116.073 5.264 -8.341 1.00 0.00 H new ATOM 0 HG LEU A 124 114.548 2.646 -8.513 1.00 0.00 H new ATOM 0 HD11 LEU A 124 112.947 3.552 -6.846 1.00 0.00 H new ATOM 0 HD12 LEU A 124 114.557 3.312 -6.125 1.00 0.00 H new ATOM 0 HD13 LEU A 124 114.019 4.947 -6.576 1.00 0.00 H new ATOM 0 HD21 LEU A 124 112.736 4.170 -9.257 1.00 0.00 H new ATOM 0 HD22 LEU A 124 113.809 5.567 -9.003 1.00 0.00 H new ATOM 0 HD23 LEU A 124 114.193 4.368 -10.260 1.00 0.00 H new ATOM 2012 N LYS A 125 117.384 5.486 -10.731 1.00 0.00 N ATOM 2013 CA LYS A 125 118.331 6.492 -11.292 1.00 0.00 C ATOM 2014 C LYS A 125 117.551 7.446 -12.199 1.00 0.00 C ATOM 2015 O LYS A 125 116.387 7.238 -12.471 1.00 0.00 O ATOM 2016 CB LYS A 125 119.413 5.777 -12.109 1.00 0.00 C ATOM 2017 CG LYS A 125 120.670 6.650 -12.207 1.00 0.00 C ATOM 2018 CD LYS A 125 121.057 7.165 -10.820 1.00 0.00 C ATOM 2019 CE LYS A 125 120.657 8.636 -10.695 1.00 0.00 C ATOM 2020 NZ LYS A 125 121.548 9.311 -9.710 1.00 0.00 N ATOM 0 H LYS A 125 116.407 5.623 -10.992 1.00 0.00 H new ATOM 0 HA LYS A 125 118.804 7.050 -10.484 1.00 0.00 H new ATOM 0 HB2 LYS A 125 119.660 4.823 -11.642 1.00 0.00 H new ATOM 0 HB3 LYS A 125 119.037 5.555 -13.108 1.00 0.00 H new ATOM 0 HG2 LYS A 125 121.491 6.073 -12.632 1.00 0.00 H new ATOM 0 HG3 LYS A 125 120.489 7.489 -12.878 1.00 0.00 H new ATOM 0 HD2 LYS A 125 120.561 6.575 -10.049 1.00 0.00 H new ATOM 0 HD3 LYS A 125 122.130 7.054 -10.665 1.00 0.00 H new ATOM 0 HE2 LYS A 125 120.731 9.128 -11.665 1.00 0.00 H new ATOM 0 HE3 LYS A 125 119.618 8.716 -10.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 121.652 10.314 -9.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 121.133 9.238 -8.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 122.482 8.854 -9.716 1.00 0.00 H new ATOM 2034 N GLU A 126 118.174 8.491 -12.668 1.00 0.00 N ATOM 2035 CA GLU A 126 117.454 9.449 -13.553 1.00 0.00 C ATOM 2036 C GLU A 126 116.713 8.683 -14.654 1.00 0.00 C ATOM 2037 O GLU A 126 115.760 9.173 -15.227 1.00 0.00 O ATOM 2038 CB GLU A 126 118.458 10.417 -14.185 1.00 0.00 C ATOM 2039 CG GLU A 126 119.430 9.641 -15.076 1.00 0.00 C ATOM 2040 CD GLU A 126 119.282 10.115 -16.523 1.00 0.00 C ATOM 2041 OE1 GLU A 126 118.347 9.680 -17.175 1.00 0.00 O ATOM 2042 OE2 GLU A 126 120.104 10.907 -16.955 1.00 0.00 O ATOM 0 H GLU A 126 119.149 8.723 -12.477 1.00 0.00 H new ATOM 0 HA GLU A 126 116.732 10.012 -12.961 1.00 0.00 H new ATOM 0 HB2 GLU A 126 117.932 11.169 -14.773 1.00 0.00 H new ATOM 0 HB3 GLU A 126 119.007 10.947 -13.406 1.00 0.00 H new ATOM 0 HG2 GLU A 126 120.454 9.793 -14.735 1.00 0.00 H new ATOM 0 HG3 GLU A 126 119.227 8.572 -15.009 1.00 0.00 H new ATOM 2049 N HIS A 127 117.138 7.485 -14.957 1.00 0.00 N ATOM 2050 CA HIS A 127 116.449 6.698 -16.021 1.00 0.00 C ATOM 2051 C HIS A 127 115.323 5.870 -15.399 1.00 0.00 C ATOM 2052 O HIS A 127 115.007 4.789 -15.857 1.00 0.00 O ATOM 2053 CB HIS A 127 117.451 5.762 -16.707 1.00 0.00 C ATOM 2054 CG HIS A 127 118.177 4.937 -15.675 1.00 0.00 C ATOM 2055 ND1 HIS A 127 117.512 4.125 -14.766 1.00 0.00 N ATOM 2056 CD2 HIS A 127 119.515 4.784 -15.401 1.00 0.00 C ATOM 2057 CE1 HIS A 127 118.444 3.528 -13.999 1.00 0.00 C ATOM 2058 NE2 HIS A 127 119.680 3.894 -14.345 1.00 0.00 N ATOM 0 H HIS A 127 117.930 7.019 -14.515 1.00 0.00 H new ATOM 0 HA HIS A 127 116.033 7.383 -16.759 1.00 0.00 H new ATOM 0 HB2 HIS A 127 116.930 5.108 -17.406 1.00 0.00 H new ATOM 0 HB3 HIS A 127 118.166 6.344 -17.288 1.00 0.00 H new ATOM 0 HD1 HIS A 127 116.502 4.003 -14.693 1.00 0.00 H new ATOM 0 HD2 HIS A 127 120.318 5.280 -15.927 1.00 0.00 H new ATOM 0 HE1 HIS A 127 118.219 2.837 -13.200 1.00 0.00 H new ATOM 2066 N ASP A 128 114.715 6.368 -14.359 1.00 0.00 N ATOM 2067 CA ASP A 128 113.614 5.610 -13.705 1.00 0.00 C ATOM 2068 C ASP A 128 112.599 6.588 -13.116 1.00 0.00 C ATOM 2069 O ASP A 128 111.403 6.391 -13.207 1.00 0.00 O ATOM 2070 CB ASP A 128 114.195 4.744 -12.587 1.00 0.00 C ATOM 2071 CG ASP A 128 114.112 3.269 -12.984 1.00 0.00 C ATOM 2072 OD1 ASP A 128 114.801 2.887 -13.915 1.00 0.00 O ATOM 2073 OD2 ASP A 128 113.362 2.547 -12.349 1.00 0.00 O ATOM 0 H ASP A 128 114.934 7.269 -13.933 1.00 0.00 H new ATOM 0 HA ASP A 128 113.119 4.976 -14.441 1.00 0.00 H new ATOM 0 HB2 ASP A 128 115.232 5.023 -12.399 1.00 0.00 H new ATOM 0 HB3 ASP A 128 113.647 4.913 -11.660 1.00 0.00 H new ATOM 2078 N PHE A 129 113.068 7.644 -12.517 1.00 0.00 N ATOM 2079 CA PHE A 129 112.136 8.641 -11.922 1.00 0.00 C ATOM 2080 C PHE A 129 111.619 9.565 -13.023 1.00 0.00 C ATOM 2081 O PHE A 129 110.485 9.474 -13.447 1.00 0.00 O ATOM 2082 CB PHE A 129 112.876 9.472 -10.873 1.00 0.00 C ATOM 2083 CG PHE A 129 113.467 8.563 -9.824 1.00 0.00 C ATOM 2084 CD1 PHE A 129 112.628 7.848 -8.957 1.00 0.00 C ATOM 2085 CD2 PHE A 129 114.857 8.438 -9.711 1.00 0.00 C ATOM 2086 CE1 PHE A 129 113.180 7.018 -7.981 1.00 0.00 C ATOM 2087 CE2 PHE A 129 115.405 7.605 -8.736 1.00 0.00 C ATOM 2088 CZ PHE A 129 114.570 6.897 -7.870 1.00 0.00 C ATOM 0 H PHE A 129 114.059 7.861 -12.413 1.00 0.00 H new ATOM 0 HA PHE A 129 111.301 8.123 -11.451 1.00 0.00 H new ATOM 0 HB2 PHE A 129 113.665 10.055 -11.348 1.00 0.00 H new ATOM 0 HB3 PHE A 129 112.191 10.181 -10.408 1.00 0.00 H new ATOM 0 HD1 PHE A 129 111.556 7.940 -9.045 1.00 0.00 H new ATOM 0 HD2 PHE A 129 115.505 8.987 -10.379 1.00 0.00 H new ATOM 0 HE1 PHE A 129 112.535 6.469 -7.311 1.00 0.00 H new ATOM 0 HE2 PHE A 129 116.477 7.508 -8.651 1.00 0.00 H new ATOM 0 HZ PHE A 129 114.997 6.255 -7.114 1.00 0.00 H new ATOM 2098 N ASN A 130 112.448 10.456 -13.485 1.00 0.00 N ATOM 2099 CA ASN A 130 112.021 11.395 -14.557 1.00 0.00 C ATOM 2100 C ASN A 130 113.264 11.975 -15.244 1.00 0.00 C ATOM 2101 O ASN A 130 114.020 12.701 -14.629 1.00 0.00 O ATOM 2102 CB ASN A 130 111.205 12.531 -13.935 1.00 0.00 C ATOM 2103 CG ASN A 130 110.526 13.337 -15.043 1.00 0.00 C ATOM 2104 OD1 ASN A 130 110.939 13.290 -16.184 1.00 0.00 O ATOM 2105 ND2 ASN A 130 109.494 14.078 -14.752 1.00 0.00 N ATOM 0 H ASN A 130 113.409 10.575 -13.164 1.00 0.00 H new ATOM 0 HA ASN A 130 111.412 10.867 -15.290 1.00 0.00 H new ATOM 0 HB2 ASN A 130 110.456 12.125 -13.255 1.00 0.00 H new ATOM 0 HB3 ASN A 130 111.854 13.178 -13.345 1.00 0.00 H new ATOM 0 HD21 ASN A 130 109.032 14.619 -15.483 1.00 0.00 H new ATOM 0 HD22 ASN A 130 109.148 14.117 -13.793 1.00 0.00 H new ATOM 2112 N PRO A 131 113.445 11.639 -16.499 1.00 0.00 N ATOM 2113 CA PRO A 131 114.596 12.118 -17.284 1.00 0.00 C ATOM 2114 C PRO A 131 114.387 13.572 -17.720 1.00 0.00 C ATOM 2115 O PRO A 131 113.285 14.084 -17.704 1.00 0.00 O ATOM 2116 CB PRO A 131 114.621 11.181 -18.495 1.00 0.00 C ATOM 2117 CG PRO A 131 113.192 10.604 -18.628 1.00 0.00 C ATOM 2118 CD PRO A 131 112.526 10.758 -17.248 1.00 0.00 C ATOM 0 HA PRO A 131 115.530 12.106 -16.722 1.00 0.00 H new ATOM 0 HB2 PRO A 131 114.908 11.720 -19.398 1.00 0.00 H new ATOM 0 HB3 PRO A 131 115.351 10.384 -18.354 1.00 0.00 H new ATOM 0 HG2 PRO A 131 112.628 11.138 -19.392 1.00 0.00 H new ATOM 0 HG3 PRO A 131 113.223 9.557 -18.929 1.00 0.00 H new ATOM 0 HD2 PRO A 131 111.532 11.198 -17.332 1.00 0.00 H new ATOM 0 HD3 PRO A 131 112.407 9.794 -16.753 1.00 0.00 H new ATOM 2126 N GLU A 132 115.439 14.241 -18.107 1.00 0.00 N ATOM 2127 CA GLU A 132 115.306 15.659 -18.542 1.00 0.00 C ATOM 2128 C GLU A 132 114.756 16.499 -17.388 1.00 0.00 C ATOM 2129 O GLU A 132 113.700 16.223 -16.855 1.00 0.00 O ATOM 2130 CB GLU A 132 114.350 15.742 -19.734 1.00 0.00 C ATOM 2131 CG GLU A 132 114.695 16.969 -20.581 1.00 0.00 C ATOM 2132 CD GLU A 132 115.874 16.642 -21.501 1.00 0.00 C ATOM 2133 OE1 GLU A 132 116.995 16.656 -21.022 1.00 0.00 O ATOM 2134 OE2 GLU A 132 115.634 16.383 -22.669 1.00 0.00 O ATOM 0 H GLU A 132 116.387 13.865 -18.140 1.00 0.00 H new ATOM 0 HA GLU A 132 116.284 16.040 -18.834 1.00 0.00 H new ATOM 0 HB2 GLU A 132 114.425 14.838 -20.338 1.00 0.00 H new ATOM 0 HB3 GLU A 132 113.320 15.807 -19.384 1.00 0.00 H new ATOM 0 HG2 GLU A 132 113.831 17.269 -21.173 1.00 0.00 H new ATOM 0 HG3 GLU A 132 114.947 17.810 -19.935 1.00 0.00 H new ATOM 2141 N SER A 133 115.464 17.525 -16.999 1.00 0.00 N ATOM 2142 CA SER A 133 114.980 18.382 -15.880 1.00 0.00 C ATOM 2143 C SER A 133 114.837 17.536 -14.614 1.00 0.00 C ATOM 2144 O SER A 133 115.299 16.415 -14.549 1.00 0.00 O ATOM 2145 CB SER A 133 113.623 18.983 -16.246 1.00 0.00 C ATOM 2146 OG SER A 133 113.483 18.999 -17.661 1.00 0.00 O ATOM 0 H SER A 133 116.355 17.806 -17.407 1.00 0.00 H new ATOM 0 HA SER A 133 115.696 19.184 -15.703 1.00 0.00 H new ATOM 0 HB2 SER A 133 112.820 18.399 -15.796 1.00 0.00 H new ATOM 0 HB3 SER A 133 113.542 19.995 -15.849 1.00 0.00 H new ATOM 0 HG SER A 133 112.613 19.382 -17.899 1.00 0.00 H new ATOM 2152 N SER A 134 114.198 18.065 -13.606 1.00 0.00 N ATOM 2153 CA SER A 134 114.025 17.291 -12.344 1.00 0.00 C ATOM 2154 C SER A 134 112.535 17.045 -12.097 1.00 0.00 C ATOM 2155 O SER A 134 112.209 16.003 -11.553 1.00 0.00 O ATOM 2156 CB SER A 134 114.612 18.084 -11.176 1.00 0.00 C ATOM 2157 OG SER A 134 116.030 18.103 -11.285 1.00 0.00 O ATOM 2158 OXT SER A 134 111.746 17.904 -12.456 1.00 0.00 O ATOM 0 H SER A 134 113.789 18.999 -13.602 1.00 0.00 H new ATOM 0 HA SER A 134 114.541 16.335 -12.430 1.00 0.00 H new ATOM 0 HB2 SER A 134 114.222 19.102 -11.180 1.00 0.00 H new ATOM 0 HB3 SER A 134 114.315 17.633 -10.229 1.00 0.00 H new ATOM 0 HG SER A 134 116.409 18.612 -10.538 1.00 0.00 H new TER 2164 SER A 134