USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 970 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 81 ASN : amide:sc= -0.171 X(o=-0.2,f=-0.035) USER MOD Set 1.2: A 85 GLN : amide:sc= -0.0325 X(o=-0.2,f=-0.2) USER MOD Set 2.1: A 71 THR OG1 : rot 136:sc= -3.51! USER MOD Set 2.2: A 73 HIS : no HE2:sc= -12.6! C(o=-41!,f=-44!) USER MOD Set 2.3: A 75 HIS : no HE2:sc= -25.2! C(o=-41!,f=-51!) USER MOD Set 3.1: A 60 ASN : amide:sc= -9.21! C(o=-17!,f=-20!) USER MOD Set 3.2: A 65 ASN : amide:sc= -7.62! C(o=-17!,f=-25!) USER MOD Set 4.1: A 57 SER OG : rot -82:sc= 1.35 USER MOD Set 4.2: A 59 HIS : no HD1:sc= -11.6! C(o=-10!,f=-13!) USER MOD Single : A 8 LYS NZ :NH3+ -162:sc= -0.0595 (180deg=-0.717) USER MOD Single : A 12 SER OG : rot 180:sc= 0.041 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS :FLIP no HE2:sc= -1.94 F(o=-3.3,f=-1.9) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 THR OG1 : rot -170:sc= 0.087 USER MOD Single : A 30 CYS SG : rot 20:sc= -3.72! USER MOD Single : A 34 TYR OH : rot 130:sc= -2.51! USER MOD Single : A 35 THR OG1 : rot -140:sc= -1.62! USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.0748 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 149:sc= -2.83! (180deg=-3.64!) USER MOD Single : A 44 TYR OH : rot -29:sc= -1.81! 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 48 MET CE :methyl -122:sc= -16.5! (180deg=-29.3!) USER MOD Single : A 50 LYS NZ :NH3+ 145:sc= -0.267 (180deg=-1.44) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot -150:sc= -1.81 USER MOD Single : A 54 THR OG1 : rot -37:sc= -0.636! USER MOD Single : A 61 SER OG : rot 140:sc= -2.06! USER MOD Single : A 62 TYR OH : rot 77:sc= 0.46 USER MOD Single : A 63 ASN : amide:sc= -0.0568 X(o=-0.057,f=-0.1) USER MOD Single : A 64 HIS :FLIP no HD1:sc= -14.9! C(o=-16!,f=-15!) USER MOD Single : A 78 SER OG : rot 180:sc= -0.0202 USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 TYR OH : rot -108:sc= -5.02! USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 CYS SG : rot -80:sc= 0.518 USER MOD Single : A 89 THR OG1 : rot 67:sc= 0.244! USER MOD Single : A 91 SER OG : rot 74:sc= 0.625 USER MOD Single : A 95 CYS SG : rot -140:sc= -3.85! USER MOD Single : A 96 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0724) USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 MET CE :methyl -123:sc= -4.82! (180deg=-15.7!) USER MOD Single : A 105 TYR OH : rot -171:sc= -2.03! USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot -42:sc= 0.222 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 74 N ASP A 6 107.874 -6.132 17.661 1.00 0.00 N ATOM 75 CA ASP A 6 107.685 -5.640 16.269 1.00 0.00 C ATOM 76 C ASP A 6 107.702 -4.108 16.260 1.00 0.00 C ATOM 77 O ASP A 6 107.301 -3.479 17.220 1.00 0.00 O ATOM 78 CB ASP A 6 106.339 -6.137 15.742 1.00 0.00 C ATOM 79 CG ASP A 6 106.474 -7.588 15.277 1.00 0.00 C ATOM 80 OD1 ASP A 6 106.815 -7.791 14.124 1.00 0.00 O ATOM 81 OD2 ASP A 6 106.236 -8.472 16.084 1.00 0.00 O ATOM 0 HA ASP A 6 108.490 -6.013 15.635 1.00 0.00 H new ATOM 0 HB2 ASP A 6 105.582 -6.064 16.523 1.00 0.00 H new ATOM 0 HB3 ASP A 6 106.006 -5.509 14.915 1.00 0.00 H new ATOM 86 N PRO A 7 108.165 -3.553 15.168 1.00 0.00 N ATOM 87 CA PRO A 7 108.248 -2.093 14.989 1.00 0.00 C ATOM 88 C PRO A 7 106.870 -1.524 14.649 1.00 0.00 C ATOM 89 O PRO A 7 106.175 -2.025 13.789 1.00 0.00 O ATOM 90 CB PRO A 7 109.213 -1.929 13.816 1.00 0.00 C ATOM 91 CG PRO A 7 109.182 -3.264 13.036 1.00 0.00 C ATOM 92 CD PRO A 7 108.650 -4.331 14.011 1.00 0.00 C ATOM 0 HA PRO A 7 108.583 -1.567 15.883 1.00 0.00 H new ATOM 0 HB2 PRO A 7 108.911 -1.099 13.177 1.00 0.00 H new ATOM 0 HB3 PRO A 7 110.220 -1.709 14.169 1.00 0.00 H new ATOM 0 HG2 PRO A 7 108.539 -3.186 12.159 1.00 0.00 H new ATOM 0 HG3 PRO A 7 110.178 -3.527 12.679 1.00 0.00 H new ATOM 0 HD2 PRO A 7 107.849 -4.918 13.561 1.00 0.00 H new ATOM 0 HD3 PRO A 7 109.433 -5.031 14.302 1.00 0.00 H new ATOM 100 N LYS A 8 106.471 -0.483 15.323 1.00 0.00 N ATOM 101 CA LYS A 8 105.138 0.114 15.044 1.00 0.00 C ATOM 102 C LYS A 8 105.241 1.079 13.861 1.00 0.00 C ATOM 103 O LYS A 8 104.295 1.764 13.528 1.00 0.00 O ATOM 104 CB LYS A 8 104.650 0.870 16.281 1.00 0.00 C ATOM 105 CG LYS A 8 104.230 -0.131 17.358 1.00 0.00 C ATOM 106 CD LYS A 8 105.326 -0.230 18.421 1.00 0.00 C ATOM 107 CE LYS A 8 105.090 -1.470 19.285 1.00 0.00 C ATOM 108 NZ LYS A 8 103.629 -1.635 19.531 1.00 0.00 N ATOM 0 H LYS A 8 107.010 -0.020 16.055 1.00 0.00 H new ATOM 0 HA LYS A 8 104.431 -0.679 14.799 1.00 0.00 H new ATOM 0 HB2 LYS A 8 105.441 1.518 16.660 1.00 0.00 H new ATOM 0 HB3 LYS A 8 103.810 1.513 16.019 1.00 0.00 H new ATOM 0 HG2 LYS A 8 103.292 0.184 17.816 1.00 0.00 H new ATOM 0 HG3 LYS A 8 104.053 -1.109 16.911 1.00 0.00 H new ATOM 0 HD2 LYS A 8 106.305 -0.287 17.945 1.00 0.00 H new ATOM 0 HD3 LYS A 8 105.326 0.665 19.043 1.00 0.00 H new ATOM 0 HE2 LYS A 8 105.488 -2.354 18.787 1.00 0.00 H new ATOM 0 HE3 LYS A 8 105.620 -1.372 20.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 103.483 -2.269 20.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 103.204 -0.708 19.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 103.179 -2.044 18.687 1.00 0.00 H new ATOM 122 N ASP A 9 106.378 1.142 13.219 1.00 0.00 N ATOM 123 CA ASP A 9 106.512 2.073 12.059 1.00 0.00 C ATOM 124 C ASP A 9 107.926 2.004 11.473 1.00 0.00 C ATOM 125 O ASP A 9 108.796 1.333 11.991 1.00 0.00 O ATOM 126 CB ASP A 9 106.227 3.504 12.522 1.00 0.00 C ATOM 127 CG ASP A 9 106.977 3.778 13.827 1.00 0.00 C ATOM 128 OD1 ASP A 9 108.096 3.310 13.954 1.00 0.00 O ATOM 129 OD2 ASP A 9 106.419 4.452 14.678 1.00 0.00 O ATOM 0 H ASP A 9 107.210 0.597 13.443 1.00 0.00 H new ATOM 0 HA ASP A 9 105.798 1.779 11.290 1.00 0.00 H new ATOM 0 HB2 ASP A 9 106.538 4.214 11.756 1.00 0.00 H new ATOM 0 HB3 ASP A 9 105.156 3.643 12.670 1.00 0.00 H new ATOM 134 N PHE A 10 108.153 2.707 10.394 1.00 0.00 N ATOM 135 CA PHE A 10 109.502 2.708 9.755 1.00 0.00 C ATOM 136 C PHE A 10 110.538 3.203 10.769 1.00 0.00 C ATOM 137 O PHE A 10 110.183 3.781 11.777 1.00 0.00 O ATOM 138 CB PHE A 10 109.482 3.672 8.562 1.00 0.00 C ATOM 139 CG PHE A 10 108.796 3.033 7.378 1.00 0.00 C ATOM 140 CD1 PHE A 10 107.409 2.839 7.389 1.00 0.00 C ATOM 141 CD2 PHE A 10 109.546 2.650 6.259 1.00 0.00 C ATOM 142 CE1 PHE A 10 106.773 2.260 6.285 1.00 0.00 C ATOM 143 CE2 PHE A 10 108.911 2.070 5.154 1.00 0.00 C ATOM 144 CZ PHE A 10 107.524 1.875 5.167 1.00 0.00 C ATOM 0 H PHE A 10 107.456 3.285 9.925 1.00 0.00 H new ATOM 0 HA PHE A 10 109.757 1.701 9.424 1.00 0.00 H new ATOM 0 HB2 PHE A 10 108.964 4.591 8.838 1.00 0.00 H new ATOM 0 HB3 PHE A 10 110.501 3.949 8.293 1.00 0.00 H new ATOM 0 HD1 PHE A 10 106.830 3.137 8.250 1.00 0.00 H new ATOM 0 HD2 PHE A 10 110.615 2.802 6.248 1.00 0.00 H new ATOM 0 HE1 PHE A 10 105.704 2.110 6.295 1.00 0.00 H new ATOM 0 HE2 PHE A 10 109.490 1.773 4.292 1.00 0.00 H new ATOM 0 HZ PHE A 10 107.034 1.428 4.315 1.00 0.00 H new ATOM 154 N PRO A 11 111.791 2.981 10.463 1.00 0.00 N ATOM 155 CA PRO A 11 112.900 3.418 11.327 1.00 0.00 C ATOM 156 C PRO A 11 113.119 4.925 11.161 1.00 0.00 C ATOM 157 O PRO A 11 112.786 5.498 10.145 1.00 0.00 O ATOM 158 CB PRO A 11 114.100 2.618 10.809 1.00 0.00 C ATOM 159 CG PRO A 11 113.753 2.204 9.359 1.00 0.00 C ATOM 160 CD PRO A 11 112.218 2.276 9.236 1.00 0.00 C ATOM 0 HA PRO A 11 112.722 3.249 12.389 1.00 0.00 H new ATOM 0 HB2 PRO A 11 115.009 3.220 10.835 1.00 0.00 H new ATOM 0 HB3 PRO A 11 114.281 1.741 11.431 1.00 0.00 H new ATOM 0 HG2 PRO A 11 114.231 2.870 8.641 1.00 0.00 H new ATOM 0 HG3 PRO A 11 114.112 1.197 9.147 1.00 0.00 H new ATOM 0 HD2 PRO A 11 111.915 2.817 8.339 1.00 0.00 H new ATOM 0 HD3 PRO A 11 111.776 1.282 9.173 1.00 0.00 H new ATOM 168 N SER A 12 113.660 5.574 12.156 1.00 0.00 N ATOM 169 CA SER A 12 113.879 7.046 12.056 1.00 0.00 C ATOM 170 C SER A 12 114.887 7.357 10.944 1.00 0.00 C ATOM 171 O SER A 12 114.894 8.438 10.388 1.00 0.00 O ATOM 172 CB SER A 12 114.417 7.569 13.388 1.00 0.00 C ATOM 173 OG SER A 12 115.358 6.642 13.911 1.00 0.00 O ATOM 0 H SER A 12 113.960 5.149 13.034 1.00 0.00 H new ATOM 0 HA SER A 12 112.931 7.531 11.822 1.00 0.00 H new ATOM 0 HB2 SER A 12 114.888 8.542 13.246 1.00 0.00 H new ATOM 0 HB3 SER A 12 113.598 7.711 14.093 1.00 0.00 H new ATOM 0 HG SER A 12 115.706 6.975 14.764 1.00 0.00 H new ATOM 179 N GLU A 13 115.741 6.427 10.618 1.00 0.00 N ATOM 180 CA GLU A 13 116.749 6.682 9.548 1.00 0.00 C ATOM 181 C GLU A 13 116.063 6.742 8.181 1.00 0.00 C ATOM 182 O GLU A 13 116.694 6.990 7.172 1.00 0.00 O ATOM 183 CB GLU A 13 117.786 5.557 9.548 1.00 0.00 C ATOM 184 CG GLU A 13 119.112 6.085 8.999 1.00 0.00 C ATOM 185 CD GLU A 13 120.250 5.685 9.938 1.00 0.00 C ATOM 186 OE1 GLU A 13 120.264 4.542 10.365 1.00 0.00 O ATOM 187 OE2 GLU A 13 121.087 6.527 10.215 1.00 0.00 O ATOM 0 H GLU A 13 115.786 5.502 11.045 1.00 0.00 H new ATOM 0 HA GLU A 13 117.240 7.636 9.742 1.00 0.00 H new ATOM 0 HB2 GLU A 13 117.925 5.176 10.560 1.00 0.00 H new ATOM 0 HB3 GLU A 13 117.434 4.724 8.939 1.00 0.00 H new ATOM 0 HG2 GLU A 13 119.291 5.682 8.002 1.00 0.00 H new ATOM 0 HG3 GLU A 13 119.071 7.170 8.902 1.00 0.00 H new ATOM 194 N LEU A 14 114.780 6.517 8.132 1.00 0.00 N ATOM 195 CA LEU A 14 114.066 6.562 6.825 1.00 0.00 C ATOM 196 C LEU A 14 112.892 7.541 6.911 1.00 0.00 C ATOM 197 O LEU A 14 112.190 7.766 5.947 1.00 0.00 O ATOM 198 CB LEU A 14 113.536 5.167 6.489 1.00 0.00 C ATOM 199 CG LEU A 14 113.646 4.925 4.983 1.00 0.00 C ATOM 200 CD1 LEU A 14 115.115 4.985 4.562 1.00 0.00 C ATOM 201 CD2 LEU A 14 113.076 3.545 4.649 1.00 0.00 C ATOM 0 H LEU A 14 114.195 6.304 8.940 1.00 0.00 H new ATOM 0 HA LEU A 14 114.756 6.891 6.048 1.00 0.00 H new ATOM 0 HB2 LEU A 14 114.104 4.411 7.031 1.00 0.00 H new ATOM 0 HB3 LEU A 14 112.498 5.075 6.807 1.00 0.00 H new ATOM 0 HG LEU A 14 113.085 5.691 4.449 1.00 0.00 H new ATOM 0 HD11 LEU A 14 115.193 4.812 3.489 1.00 0.00 H new ATOM 0 HD12 LEU A 14 115.523 5.967 4.802 1.00 0.00 H new ATOM 0 HD13 LEU A 14 115.678 4.218 5.095 1.00 0.00 H new ATOM 0 HD21 LEU A 14 113.153 3.370 3.576 1.00 0.00 H new ATOM 0 HD22 LEU A 14 113.639 2.780 5.183 1.00 0.00 H new ATOM 0 HD23 LEU A 14 112.029 3.501 4.950 1.00 0.00 H new ATOM 213 N LEU A 15 112.671 8.125 8.058 1.00 0.00 N ATOM 214 CA LEU A 15 111.539 9.086 8.194 1.00 0.00 C ATOM 215 C LEU A 15 111.976 10.467 7.700 1.00 0.00 C ATOM 216 O LEU A 15 111.250 11.434 7.813 1.00 0.00 O ATOM 217 CB LEU A 15 111.117 9.178 9.663 1.00 0.00 C ATOM 218 CG LEU A 15 110.681 7.798 10.159 1.00 0.00 C ATOM 219 CD1 LEU A 15 110.518 7.831 11.679 1.00 0.00 C ATOM 220 CD2 LEU A 15 109.346 7.420 9.513 1.00 0.00 C ATOM 0 H LEU A 15 113.223 7.979 8.903 1.00 0.00 H new ATOM 0 HA LEU A 15 110.696 8.738 7.597 1.00 0.00 H new ATOM 0 HB2 LEU A 15 111.945 9.548 10.267 1.00 0.00 H new ATOM 0 HB3 LEU A 15 110.299 9.890 9.773 1.00 0.00 H new ATOM 0 HG LEU A 15 111.437 7.061 9.889 1.00 0.00 H new ATOM 0 HD11 LEU A 15 110.207 6.848 12.033 1.00 0.00 H new ATOM 0 HD12 LEU A 15 111.468 8.100 12.141 1.00 0.00 H new ATOM 0 HD13 LEU A 15 109.762 8.569 11.948 1.00 0.00 H new ATOM 0 HD21 LEU A 15 109.036 6.437 9.867 1.00 0.00 H new ATOM 0 HD22 LEU A 15 108.590 8.157 9.782 1.00 0.00 H new ATOM 0 HD23 LEU A 15 109.460 7.396 8.429 1.00 0.00 H new ATOM 232 N SER A 16 113.157 10.568 7.152 1.00 0.00 N ATOM 233 CA SER A 16 113.637 11.888 6.652 1.00 0.00 C ATOM 234 C SER A 16 112.865 12.264 5.385 1.00 0.00 C ATOM 235 O SER A 16 112.885 13.396 4.946 1.00 0.00 O ATOM 236 CB SER A 16 115.129 11.801 6.333 1.00 0.00 C ATOM 237 OG SER A 16 115.878 12.225 7.465 1.00 0.00 O ATOM 0 H SER A 16 113.810 9.794 7.029 1.00 0.00 H new ATOM 0 HA SER A 16 113.473 12.648 7.416 1.00 0.00 H new ATOM 0 HB2 SER A 16 115.397 10.778 6.068 1.00 0.00 H new ATOM 0 HB3 SER A 16 115.365 12.426 5.472 1.00 0.00 H new ATOM 0 HG SER A 16 116.835 12.169 7.264 1.00 0.00 H new ATOM 243 N PHE A 17 112.183 11.321 4.796 1.00 0.00 N ATOM 244 CA PHE A 17 111.405 11.621 3.559 1.00 0.00 C ATOM 245 C PHE A 17 110.246 10.631 3.435 1.00 0.00 C ATOM 246 O PHE A 17 110.326 9.652 2.719 1.00 0.00 O ATOM 247 CB PHE A 17 112.310 11.504 2.326 1.00 0.00 C ATOM 248 CG PHE A 17 113.358 10.433 2.544 1.00 0.00 C ATOM 249 CD1 PHE A 17 113.063 9.303 3.319 1.00 0.00 C ATOM 250 CD2 PHE A 17 114.626 10.571 1.965 1.00 0.00 C ATOM 251 CE1 PHE A 17 114.034 8.318 3.515 1.00 0.00 C ATOM 252 CE2 PHE A 17 115.597 9.584 2.161 1.00 0.00 C ATOM 253 CZ PHE A 17 115.301 8.457 2.937 1.00 0.00 C ATOM 0 H PHE A 17 112.130 10.354 5.117 1.00 0.00 H new ATOM 0 HA PHE A 17 111.016 12.637 3.620 1.00 0.00 H new ATOM 0 HB2 PHE A 17 111.711 11.263 1.448 1.00 0.00 H new ATOM 0 HB3 PHE A 17 112.793 12.461 2.129 1.00 0.00 H new ATOM 0 HD1 PHE A 17 112.085 9.194 3.765 1.00 0.00 H new ATOM 0 HD2 PHE A 17 114.854 11.441 1.367 1.00 0.00 H new ATOM 0 HE1 PHE A 17 113.807 7.448 4.113 1.00 0.00 H new ATOM 0 HE2 PHE A 17 116.574 9.691 1.714 1.00 0.00 H new ATOM 0 HZ PHE A 17 116.051 7.695 3.090 1.00 0.00 H new ATOM 263 N LEU A 18 109.168 10.877 4.127 1.00 0.00 N ATOM 264 CA LEU A 18 108.005 9.950 4.048 1.00 0.00 C ATOM 265 C LEU A 18 106.705 10.750 4.163 1.00 0.00 C ATOM 266 O LEU A 18 106.719 11.950 4.355 1.00 0.00 O ATOM 267 CB LEU A 18 108.084 8.937 5.192 1.00 0.00 C ATOM 268 CG LEU A 18 108.622 7.608 4.660 1.00 0.00 C ATOM 269 CD1 LEU A 18 109.096 6.742 5.829 1.00 0.00 C ATOM 270 CD2 LEU A 18 107.511 6.878 3.902 1.00 0.00 C ATOM 0 H LEU A 18 109.042 11.680 4.744 1.00 0.00 H new ATOM 0 HA LEU A 18 108.023 9.424 3.094 1.00 0.00 H new ATOM 0 HB2 LEU A 18 108.733 9.314 5.982 1.00 0.00 H new ATOM 0 HB3 LEU A 18 107.098 8.792 5.632 1.00 0.00 H new ATOM 0 HG LEU A 18 109.459 7.798 3.988 1.00 0.00 H new ATOM 0 HD11 LEU A 18 109.479 5.795 5.448 1.00 0.00 H new ATOM 0 HD12 LEU A 18 109.886 7.262 6.370 1.00 0.00 H new ATOM 0 HD13 LEU A 18 108.260 6.551 6.502 1.00 0.00 H new ATOM 0 HD21 LEU A 18 107.892 5.930 3.522 1.00 0.00 H new ATOM 0 HD22 LEU A 18 106.675 6.689 4.575 1.00 0.00 H new ATOM 0 HD23 LEU A 18 107.174 7.494 3.068 1.00 0.00 H new ATOM 282 N SER A 19 105.581 10.097 4.048 1.00 0.00 N ATOM 283 CA SER A 19 104.283 10.823 4.151 1.00 0.00 C ATOM 284 C SER A 19 103.722 10.666 5.566 1.00 0.00 C ATOM 285 O SER A 19 102.959 11.487 6.035 1.00 0.00 O ATOM 286 CB SER A 19 103.292 10.244 3.140 1.00 0.00 C ATOM 287 OG SER A 19 102.363 11.253 2.762 1.00 0.00 O ATOM 0 H SER A 19 105.505 9.093 3.887 1.00 0.00 H new ATOM 0 HA SER A 19 104.440 11.880 3.938 1.00 0.00 H new ATOM 0 HB2 SER A 19 103.823 9.876 2.263 1.00 0.00 H new ATOM 0 HB3 SER A 19 102.766 9.394 3.575 1.00 0.00 H new ATOM 0 HG SER A 19 101.727 10.886 2.113 1.00 0.00 H new ATOM 293 N HIS A 20 104.097 9.620 6.251 1.00 0.00 N ATOM 294 CA HIS A 20 103.587 9.413 7.636 1.00 0.00 C ATOM 295 C HIS A 20 102.069 9.602 7.657 1.00 0.00 C ATOM 296 O HIS A 20 101.509 10.087 8.621 1.00 0.00 O ATOM 297 CB HIS A 20 104.237 10.429 8.577 1.00 0.00 C ATOM 298 CG HIS A 20 105.663 10.660 8.159 1.00 0.00 C ATOM 299 ND1 HIS A 20 106.219 11.487 7.215 1.00 0.00 N flip ATOM 300 CD2 HIS A 20 106.724 9.987 8.745 1.00 0.00 C flip ATOM 301 CE1 HIS A 20 107.603 11.332 7.213 1.00 0.00 C flip ATOM 302 NE2 HIS A 20 107.854 10.418 8.154 1.00 0.00 N flip ATOM 0 H HIS A 20 104.735 8.900 5.911 1.00 0.00 H new ATOM 0 HA HIS A 20 103.832 8.403 7.964 1.00 0.00 H new ATOM 0 HB2 HIS A 20 103.684 11.368 8.554 1.00 0.00 H new ATOM 0 HB3 HIS A 20 104.202 10.064 9.603 1.00 0.00 H new ATOM 0 HD1 HIS A 20 105.698 12.119 6.607 1.00 0.00 H new ATOM 0 HD2 HIS A 20 106.656 9.251 9.532 1.00 0.00 H new ATOM 0 HE1 HIS A 20 108.319 11.841 6.585 1.00 0.00 H new ATOM 310 N ALA A 21 101.397 9.223 6.605 1.00 0.00 N ATOM 311 CA ALA A 21 99.916 9.382 6.570 1.00 0.00 C ATOM 312 C ALA A 21 99.289 8.165 5.887 1.00 0.00 C ATOM 313 O ALA A 21 99.858 7.588 4.982 1.00 0.00 O ATOM 314 CB ALA A 21 99.556 10.648 5.789 1.00 0.00 C ATOM 0 H ALA A 21 101.809 8.810 5.768 1.00 0.00 H new ATOM 0 HA ALA A 21 99.535 9.464 7.588 1.00 0.00 H new ATOM 0 HB1 ALA A 21 98.472 10.764 5.764 1.00 0.00 H new ATOM 0 HB2 ALA A 21 100.002 11.515 6.276 1.00 0.00 H new ATOM 0 HB3 ALA A 21 99.936 10.568 4.771 1.00 0.00 H new ATOM 320 N VAL A 22 98.122 7.769 6.314 1.00 0.00 N ATOM 321 CA VAL A 22 97.461 6.588 5.688 1.00 0.00 C ATOM 322 C VAL A 22 96.264 7.052 4.861 1.00 0.00 C ATOM 323 O VAL A 22 96.072 6.633 3.736 1.00 0.00 O ATOM 324 CB VAL A 22 96.986 5.631 6.782 1.00 0.00 C ATOM 325 CG1 VAL A 22 96.735 4.248 6.177 1.00 0.00 C ATOM 326 CG2 VAL A 22 98.060 5.523 7.867 1.00 0.00 C ATOM 0 H VAL A 22 97.597 8.211 7.069 1.00 0.00 H new ATOM 0 HA VAL A 22 98.172 6.075 5.040 1.00 0.00 H new ATOM 0 HB VAL A 22 96.063 6.010 7.219 1.00 0.00 H new ATOM 0 HG11 VAL A 22 96.396 3.566 6.957 1.00 0.00 H new ATOM 0 HG12 VAL A 22 95.971 4.323 5.403 1.00 0.00 H new ATOM 0 HG13 VAL A 22 97.659 3.869 5.739 1.00 0.00 H new ATOM 0 HG21 VAL A 22 97.722 4.841 8.647 1.00 0.00 H new ATOM 0 HG22 VAL A 22 98.983 5.144 7.429 1.00 0.00 H new ATOM 0 HG23 VAL A 22 98.241 6.507 8.299 1.00 0.00 H new ATOM 336 N PHE A 23 95.457 7.915 5.409 1.00 0.00 N ATOM 337 CA PHE A 23 94.270 8.411 4.657 1.00 0.00 C ATOM 338 C PHE A 23 94.602 9.755 4.007 1.00 0.00 C ATOM 339 O PHE A 23 93.889 10.725 4.162 1.00 0.00 O ATOM 340 CB PHE A 23 93.094 8.587 5.620 1.00 0.00 C ATOM 341 CG PHE A 23 92.756 7.257 6.252 1.00 0.00 C ATOM 342 CD1 PHE A 23 91.901 6.365 5.593 1.00 0.00 C ATOM 343 CD2 PHE A 23 93.298 6.917 7.498 1.00 0.00 C ATOM 344 CE1 PHE A 23 91.588 5.134 6.179 1.00 0.00 C ATOM 345 CE2 PHE A 23 92.985 5.685 8.084 1.00 0.00 C ATOM 346 CZ PHE A 23 92.130 4.793 7.425 1.00 0.00 C ATOM 0 H PHE A 23 95.567 8.300 6.347 1.00 0.00 H new ATOM 0 HA PHE A 23 94.003 7.690 3.884 1.00 0.00 H new ATOM 0 HB2 PHE A 23 93.348 9.314 6.391 1.00 0.00 H new ATOM 0 HB3 PHE A 23 92.228 8.978 5.086 1.00 0.00 H new ATOM 0 HD1 PHE A 23 91.483 6.627 4.632 1.00 0.00 H new ATOM 0 HD2 PHE A 23 93.957 7.605 8.006 1.00 0.00 H new ATOM 0 HE1 PHE A 23 90.928 4.446 5.671 1.00 0.00 H new ATOM 0 HE2 PHE A 23 93.403 5.422 9.045 1.00 0.00 H new ATOM 0 HZ PHE A 23 91.888 3.842 7.877 1.00 0.00 H new ATOM 356 N SER A 24 95.684 9.820 3.278 1.00 0.00 N ATOM 357 CA SER A 24 96.062 11.102 2.619 1.00 0.00 C ATOM 358 C SER A 24 95.044 11.434 1.527 1.00 0.00 C ATOM 359 O SER A 24 94.093 10.709 1.310 1.00 0.00 O ATOM 360 CB SER A 24 97.451 10.964 1.996 1.00 0.00 C ATOM 361 OG SER A 24 97.406 9.991 0.959 1.00 0.00 O ATOM 0 H SER A 24 96.321 9.041 3.111 1.00 0.00 H new ATOM 0 HA SER A 24 96.074 11.902 3.360 1.00 0.00 H new ATOM 0 HB2 SER A 24 97.780 11.923 1.596 1.00 0.00 H new ATOM 0 HB3 SER A 24 98.175 10.670 2.755 1.00 0.00 H new ATOM 0 HG SER A 24 98.295 9.901 0.556 1.00 0.00 H new ATOM 367 N ASN A 25 95.234 12.526 0.837 1.00 0.00 N ATOM 368 CA ASN A 25 94.277 12.902 -0.240 1.00 0.00 C ATOM 369 C ASN A 25 95.006 12.924 -1.586 1.00 0.00 C ATOM 370 O ASN A 25 94.594 12.288 -2.536 1.00 0.00 O ATOM 371 CB ASN A 25 93.704 14.291 0.051 1.00 0.00 C ATOM 372 CG ASN A 25 92.602 14.179 1.106 1.00 0.00 C ATOM 373 OD1 ASN A 25 91.482 13.825 0.795 1.00 0.00 O ATOM 374 ND2 ASN A 25 92.874 14.468 2.349 1.00 0.00 N ATOM 0 H ASN A 25 96.011 13.173 0.973 1.00 0.00 H new ATOM 0 HA ASN A 25 93.467 12.174 -0.277 1.00 0.00 H new ATOM 0 HB2 ASN A 25 94.493 14.955 0.404 1.00 0.00 H new ATOM 0 HB3 ASN A 25 93.304 14.729 -0.863 1.00 0.00 H new ATOM 0 HD21 ASN A 25 92.146 14.397 3.060 1.00 0.00 H new ATOM 0 HD22 ASN A 25 93.814 14.765 2.610 1.00 0.00 H new ATOM 381 N ARG A 26 96.085 13.652 -1.673 1.00 0.00 N ATOM 382 CA ARG A 26 96.840 13.717 -2.957 1.00 0.00 C ATOM 383 C ARG A 26 97.092 12.298 -3.474 1.00 0.00 C ATOM 384 O ARG A 26 97.172 11.354 -2.714 1.00 0.00 O ATOM 385 CB ARG A 26 98.180 14.419 -2.724 1.00 0.00 C ATOM 386 CG ARG A 26 98.731 14.929 -4.057 1.00 0.00 C ATOM 387 CD ARG A 26 100.239 15.153 -3.934 1.00 0.00 C ATOM 388 NE ARG A 26 100.501 16.240 -2.950 1.00 0.00 N ATOM 389 CZ ARG A 26 99.953 17.414 -3.113 1.00 0.00 C ATOM 390 NH1 ARG A 26 99.830 17.916 -4.311 1.00 0.00 N ATOM 391 NH2 ARG A 26 99.529 18.086 -2.077 1.00 0.00 N ATOM 0 H ARG A 26 96.477 14.205 -0.911 1.00 0.00 H new ATOM 0 HA ARG A 26 96.259 14.274 -3.692 1.00 0.00 H new ATOM 0 HB2 ARG A 26 98.051 15.250 -2.031 1.00 0.00 H new ATOM 0 HB3 ARG A 26 98.889 13.729 -2.266 1.00 0.00 H new ATOM 0 HG2 ARG A 26 98.523 14.208 -4.848 1.00 0.00 H new ATOM 0 HG3 ARG A 26 98.236 15.859 -4.335 1.00 0.00 H new ATOM 0 HD2 ARG A 26 100.729 14.233 -3.615 1.00 0.00 H new ATOM 0 HD3 ARG A 26 100.658 15.418 -4.905 1.00 0.00 H new ATOM 0 HE ARG A 26 101.108 16.067 -2.149 1.00 0.00 H new ATOM 0 HH11 ARG A 26 100.162 17.391 -5.120 1.00 0.00 H new ATOM 0 HH12 ARG A 26 99.402 18.833 -4.438 1.00 0.00 H new ATOM 0 HH21 ARG A 26 99.626 17.694 -1.140 1.00 0.00 H new ATOM 0 HH22 ARG A 26 99.101 19.003 -2.204 1.00 0.00 H new ATOM 405 N THR A 27 97.218 12.142 -4.764 1.00 0.00 N ATOM 406 CA THR A 27 97.465 10.786 -5.331 1.00 0.00 C ATOM 407 C THR A 27 98.973 10.536 -5.411 1.00 0.00 C ATOM 408 O THR A 27 99.740 11.410 -5.765 1.00 0.00 O ATOM 409 CB THR A 27 96.857 10.701 -6.733 1.00 0.00 C ATOM 410 OG1 THR A 27 96.797 12.002 -7.300 1.00 0.00 O ATOM 411 CG2 THR A 27 95.447 10.114 -6.647 1.00 0.00 C ATOM 0 H THR A 27 97.161 12.895 -5.450 1.00 0.00 H new ATOM 0 HA THR A 27 97.005 10.033 -4.691 1.00 0.00 H new ATOM 0 HB THR A 27 97.476 10.059 -7.359 1.00 0.00 H new ATOM 0 HG1 THR A 27 96.269 11.975 -8.125 1.00 0.00 H new ATOM 0 HG21 THR A 27 95.016 10.054 -7.646 1.00 0.00 H new ATOM 0 HG22 THR A 27 95.494 9.116 -6.212 1.00 0.00 H new ATOM 0 HG23 THR A 27 94.824 10.753 -6.021 1.00 0.00 H new ATOM 419 N LEU A 28 99.405 9.349 -5.081 1.00 0.00 N ATOM 420 CA LEU A 28 100.864 9.043 -5.135 1.00 0.00 C ATOM 421 C LEU A 28 101.097 7.820 -6.026 1.00 0.00 C ATOM 422 O LEU A 28 100.248 6.960 -6.147 1.00 0.00 O ATOM 423 CB LEU A 28 101.370 8.745 -3.721 1.00 0.00 C ATOM 424 CG LEU A 28 102.257 9.895 -3.239 1.00 0.00 C ATOM 425 CD1 LEU A 28 101.383 11.005 -2.650 1.00 0.00 C ATOM 426 CD2 LEU A 28 103.216 9.381 -2.162 1.00 0.00 C ATOM 0 H LEU A 28 98.811 8.578 -4.776 1.00 0.00 H new ATOM 0 HA LEU A 28 101.401 9.898 -5.545 1.00 0.00 H new ATOM 0 HB2 LEU A 28 100.527 8.614 -3.043 1.00 0.00 H new ATOM 0 HB3 LEU A 28 101.933 7.811 -3.715 1.00 0.00 H new ATOM 0 HG LEU A 28 102.827 10.289 -4.080 1.00 0.00 H new ATOM 0 HD11 LEU A 28 102.016 11.823 -2.307 1.00 0.00 H new ATOM 0 HD12 LEU A 28 100.697 11.372 -3.414 1.00 0.00 H new ATOM 0 HD13 LEU A 28 100.812 10.611 -1.809 1.00 0.00 H new ATOM 0 HD21 LEU A 28 103.849 10.199 -1.818 1.00 0.00 H new ATOM 0 HD22 LEU A 28 102.643 8.987 -1.323 1.00 0.00 H new ATOM 0 HD23 LEU A 28 103.840 8.590 -2.578 1.00 0.00 H new ATOM 438 N ALA A 29 102.242 7.730 -6.646 1.00 0.00 N ATOM 439 CA ALA A 29 102.525 6.557 -7.523 1.00 0.00 C ATOM 440 C ALA A 29 103.808 5.868 -7.047 1.00 0.00 C ATOM 441 O ALA A 29 104.356 5.016 -7.717 1.00 0.00 O ATOM 442 CB ALA A 29 102.704 7.029 -8.968 1.00 0.00 C ATOM 0 H ALA A 29 102.993 8.417 -6.584 1.00 0.00 H new ATOM 0 HA ALA A 29 101.693 5.855 -7.474 1.00 0.00 H new ATOM 0 HB1 ALA A 29 102.911 6.171 -9.608 1.00 0.00 H new ATOM 0 HB2 ALA A 29 101.792 7.522 -9.305 1.00 0.00 H new ATOM 0 HB3 ALA A 29 103.537 7.730 -9.021 1.00 0.00 H new ATOM 448 N CYS A 30 104.285 6.230 -5.888 1.00 0.00 N ATOM 449 CA CYS A 30 105.522 5.598 -5.349 1.00 0.00 C ATOM 450 C CYS A 30 105.331 5.376 -3.851 1.00 0.00 C ATOM 451 O CYS A 30 104.902 6.261 -3.136 1.00 0.00 O ATOM 452 CB CYS A 30 106.720 6.521 -5.582 1.00 0.00 C ATOM 453 SG CYS A 30 108.148 5.893 -4.663 1.00 0.00 S ATOM 0 H CYS A 30 103.868 6.941 -5.287 1.00 0.00 H new ATOM 0 HA CYS A 30 105.708 4.649 -5.852 1.00 0.00 H new ATOM 0 HB2 CYS A 30 106.952 6.573 -6.646 1.00 0.00 H new ATOM 0 HB3 CYS A 30 106.482 7.534 -5.258 1.00 0.00 H new ATOM 0 HG CYS A 30 107.965 4.637 -4.382 1.00 0.00 H new ATOM 459 N PHE A 31 105.625 4.203 -3.362 1.00 0.00 N ATOM 460 CA PHE A 31 105.426 3.959 -1.905 1.00 0.00 C ATOM 461 C PHE A 31 106.532 3.056 -1.353 1.00 0.00 C ATOM 462 O PHE A 31 107.118 2.259 -2.062 1.00 0.00 O ATOM 463 CB PHE A 31 104.073 3.278 -1.671 1.00 0.00 C ATOM 464 CG PHE A 31 103.013 3.857 -2.581 1.00 0.00 C ATOM 465 CD1 PHE A 31 103.100 3.687 -3.969 1.00 0.00 C ATOM 466 CD2 PHE A 31 101.926 4.548 -2.030 1.00 0.00 C ATOM 467 CE1 PHE A 31 102.106 4.211 -4.804 1.00 0.00 C ATOM 468 CE2 PHE A 31 100.931 5.066 -2.862 1.00 0.00 C ATOM 469 CZ PHE A 31 101.019 4.901 -4.250 1.00 0.00 C ATOM 0 H PHE A 31 105.988 3.414 -3.897 1.00 0.00 H new ATOM 0 HA PHE A 31 105.456 4.920 -1.392 1.00 0.00 H new ATOM 0 HB2 PHE A 31 104.165 2.207 -1.849 1.00 0.00 H new ATOM 0 HB3 PHE A 31 103.773 3.404 -0.631 1.00 0.00 H new ATOM 0 HD1 PHE A 31 103.935 3.151 -4.395 1.00 0.00 H new ATOM 0 HD2 PHE A 31 101.857 4.680 -0.960 1.00 0.00 H new ATOM 0 HE1 PHE A 31 102.177 4.084 -5.874 1.00 0.00 H new ATOM 0 HE2 PHE A 31 100.092 5.595 -2.434 1.00 0.00 H new ATOM 0 HZ PHE A 31 100.250 5.305 -4.892 1.00 0.00 H new ATOM 479 N ALA A 32 106.798 3.167 -0.079 1.00 0.00 N ATOM 480 CA ALA A 32 107.840 2.312 0.555 1.00 0.00 C ATOM 481 C ALA A 32 107.151 1.361 1.535 1.00 0.00 C ATOM 482 O ALA A 32 106.353 1.775 2.352 1.00 0.00 O ATOM 483 CB ALA A 32 108.839 3.189 1.312 1.00 0.00 C ATOM 0 H ALA A 32 106.334 3.819 0.553 1.00 0.00 H new ATOM 0 HA ALA A 32 108.374 1.747 -0.209 1.00 0.00 H new ATOM 0 HB1 ALA A 32 109.599 2.559 1.774 1.00 0.00 H new ATOM 0 HB2 ALA A 32 109.315 3.881 0.617 1.00 0.00 H new ATOM 0 HB3 ALA A 32 108.316 3.752 2.085 1.00 0.00 H new ATOM 489 N ILE A 33 107.436 0.093 1.456 1.00 0.00 N ATOM 490 CA ILE A 33 106.772 -0.867 2.381 1.00 0.00 C ATOM 491 C ILE A 33 107.720 -1.258 3.515 1.00 0.00 C ATOM 492 O ILE A 33 108.908 -1.426 3.322 1.00 0.00 O ATOM 493 CB ILE A 33 106.372 -2.123 1.609 1.00 0.00 C ATOM 494 CG1 ILE A 33 105.475 -1.734 0.433 1.00 0.00 C ATOM 495 CG2 ILE A 33 105.614 -3.074 2.535 1.00 0.00 C ATOM 496 CD1 ILE A 33 104.222 -1.027 0.956 1.00 0.00 C ATOM 0 H ILE A 33 108.095 -0.319 0.796 1.00 0.00 H new ATOM 0 HA ILE A 33 105.888 -0.390 2.804 1.00 0.00 H new ATOM 0 HB ILE A 33 107.268 -2.619 1.235 1.00 0.00 H new ATOM 0 HG12 ILE A 33 106.016 -1.079 -0.250 1.00 0.00 H new ATOM 0 HG13 ILE A 33 105.194 -2.622 -0.133 1.00 0.00 H new ATOM 0 HG21 ILE A 33 105.329 -3.970 1.983 1.00 0.00 H new ATOM 0 HG22 ILE A 33 106.253 -3.352 3.373 1.00 0.00 H new ATOM 0 HG23 ILE A 33 104.718 -2.579 2.911 1.00 0.00 H new ATOM 0 HD11 ILE A 33 103.583 -0.750 0.117 1.00 0.00 H new ATOM 0 HD12 ILE A 33 103.677 -1.697 1.621 1.00 0.00 H new ATOM 0 HD13 ILE A 33 104.512 -0.130 1.503 1.00 0.00 H new ATOM 508 N TYR A 34 107.189 -1.422 4.695 1.00 0.00 N ATOM 509 CA TYR A 34 108.032 -1.825 5.855 1.00 0.00 C ATOM 510 C TYR A 34 107.419 -3.082 6.468 1.00 0.00 C ATOM 511 O TYR A 34 106.602 -3.011 7.364 1.00 0.00 O ATOM 512 CB TYR A 34 108.050 -0.701 6.893 1.00 0.00 C ATOM 513 CG TYR A 34 108.876 -1.120 8.086 1.00 0.00 C ATOM 514 CD1 TYR A 34 109.976 -1.968 7.914 1.00 0.00 C ATOM 515 CD2 TYR A 34 108.546 -0.654 9.362 1.00 0.00 C ATOM 516 CE1 TYR A 34 110.745 -2.348 9.018 1.00 0.00 C ATOM 517 CE2 TYR A 34 109.314 -1.036 10.467 1.00 0.00 C ATOM 518 CZ TYR A 34 110.414 -1.883 10.295 1.00 0.00 C ATOM 519 OH TYR A 34 111.173 -2.256 11.384 1.00 0.00 O ATOM 0 H TYR A 34 106.200 -1.293 4.907 1.00 0.00 H new ATOM 0 HA TYR A 34 109.055 -2.020 5.533 1.00 0.00 H new ATOM 0 HB2 TYR A 34 108.464 0.206 6.453 1.00 0.00 H new ATOM 0 HB3 TYR A 34 107.033 -0.467 7.207 1.00 0.00 H new ATOM 0 HD1 TYR A 34 110.231 -2.329 6.928 1.00 0.00 H new ATOM 0 HD2 TYR A 34 107.698 0.001 9.495 1.00 0.00 H new ATOM 0 HE1 TYR A 34 111.595 -3.001 8.885 1.00 0.00 H new ATOM 0 HE2 TYR A 34 109.058 -0.677 11.453 1.00 0.00 H new ATOM 0 HH TYR A 34 111.419 -1.460 11.899 1.00 0.00 H new ATOM 529 N THR A 35 107.782 -4.231 5.974 1.00 0.00 N ATOM 530 CA THR A 35 107.192 -5.486 6.513 1.00 0.00 C ATOM 531 C THR A 35 108.284 -6.524 6.743 1.00 0.00 C ATOM 532 O THR A 35 109.321 -6.500 6.110 1.00 0.00 O ATOM 533 CB THR A 35 106.190 -6.037 5.501 1.00 0.00 C ATOM 534 OG1 THR A 35 106.884 -6.437 4.327 1.00 0.00 O ATOM 535 CG2 THR A 35 105.173 -4.955 5.143 1.00 0.00 C ATOM 0 H THR A 35 108.460 -4.356 5.222 1.00 0.00 H new ATOM 0 HA THR A 35 106.697 -5.271 7.460 1.00 0.00 H new ATOM 0 HB THR A 35 105.670 -6.892 5.933 1.00 0.00 H new ATOM 0 HG1 THR A 35 106.361 -6.187 3.537 1.00 0.00 H new ATOM 0 HG21 THR A 35 104.459 -5.351 4.421 1.00 0.00 H new ATOM 0 HG22 THR A 35 104.643 -4.642 6.043 1.00 0.00 H new ATOM 0 HG23 THR A 35 105.690 -4.099 4.710 1.00 0.00 H new ATOM 543 N THR A 36 108.056 -7.437 7.647 1.00 0.00 N ATOM 544 CA THR A 36 109.088 -8.485 7.916 1.00 0.00 C ATOM 545 C THR A 36 109.617 -8.998 6.572 1.00 0.00 C ATOM 546 O THR A 36 109.050 -8.737 5.528 1.00 0.00 O ATOM 547 CB THR A 36 108.500 -9.671 8.718 1.00 0.00 C ATOM 548 OG1 THR A 36 108.714 -10.878 7.998 1.00 0.00 O ATOM 549 CG2 THR A 36 106.997 -9.503 8.956 1.00 0.00 C ATOM 0 H THR A 36 107.207 -7.505 8.209 1.00 0.00 H new ATOM 0 HA THR A 36 109.888 -8.044 8.510 1.00 0.00 H new ATOM 0 HB THR A 36 109.002 -9.701 9.685 1.00 0.00 H new ATOM 0 HG1 THR A 36 108.344 -11.631 8.504 1.00 0.00 H new ATOM 0 HG21 THR A 36 106.621 -10.355 9.522 1.00 0.00 H new ATOM 0 HG22 THR A 36 106.818 -8.586 9.518 1.00 0.00 H new ATOM 0 HG23 THR A 36 106.481 -9.448 7.998 1.00 0.00 H new ATOM 557 N LYS A 37 110.697 -9.726 6.589 1.00 0.00 N ATOM 558 CA LYS A 37 111.262 -10.253 5.321 1.00 0.00 C ATOM 559 C LYS A 37 110.224 -11.130 4.608 1.00 0.00 C ATOM 560 O LYS A 37 110.029 -11.030 3.414 1.00 0.00 O ATOM 561 CB LYS A 37 112.499 -11.092 5.644 1.00 0.00 C ATOM 562 CG LYS A 37 112.065 -12.429 6.249 1.00 0.00 C ATOM 563 CD LYS A 37 113.299 -13.219 6.688 1.00 0.00 C ATOM 564 CE LYS A 37 113.378 -13.235 8.215 1.00 0.00 C ATOM 565 NZ LYS A 37 114.742 -12.816 8.644 1.00 0.00 N ATOM 0 H LYS A 37 111.214 -9.979 7.431 1.00 0.00 H new ATOM 0 HA LYS A 37 111.531 -9.422 4.669 1.00 0.00 H new ATOM 0 HB2 LYS A 37 113.082 -11.262 4.739 1.00 0.00 H new ATOM 0 HB3 LYS A 37 113.143 -10.557 6.342 1.00 0.00 H new ATOM 0 HG2 LYS A 37 111.408 -12.257 7.102 1.00 0.00 H new ATOM 0 HG3 LYS A 37 111.495 -13.002 5.518 1.00 0.00 H new ATOM 0 HD2 LYS A 37 113.246 -14.238 6.305 1.00 0.00 H new ATOM 0 HD3 LYS A 37 114.200 -12.768 6.271 1.00 0.00 H new ATOM 0 HE2 LYS A 37 112.630 -12.563 8.636 1.00 0.00 H new ATOM 0 HE3 LYS A 37 113.157 -14.234 8.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 114.798 -12.826 9.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 115.446 -13.474 8.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 114.935 -11.855 8.296 1.00 0.00 H new ATOM 579 N GLU A 38 109.573 -12.001 5.332 1.00 0.00 N ATOM 580 CA GLU A 38 108.567 -12.900 4.706 1.00 0.00 C ATOM 581 C GLU A 38 107.503 -12.080 3.973 1.00 0.00 C ATOM 582 O GLU A 38 107.087 -12.422 2.883 1.00 0.00 O ATOM 583 CB GLU A 38 107.896 -13.746 5.791 1.00 0.00 C ATOM 584 CG GLU A 38 107.999 -15.226 5.419 1.00 0.00 C ATOM 585 CD GLU A 38 108.865 -15.954 6.450 1.00 0.00 C ATOM 586 OE1 GLU A 38 109.743 -15.318 7.012 1.00 0.00 O ATOM 587 OE2 GLU A 38 108.637 -17.134 6.659 1.00 0.00 O ATOM 0 H GLU A 38 109.698 -12.127 6.336 1.00 0.00 H new ATOM 0 HA GLU A 38 109.071 -13.548 3.989 1.00 0.00 H new ATOM 0 HB2 GLU A 38 108.374 -13.568 6.754 1.00 0.00 H new ATOM 0 HB3 GLU A 38 106.850 -13.458 5.897 1.00 0.00 H new ATOM 0 HG2 GLU A 38 107.005 -15.673 5.383 1.00 0.00 H new ATOM 0 HG3 GLU A 38 108.432 -15.332 4.425 1.00 0.00 H new ATOM 594 N LYS A 39 107.053 -11.007 4.560 1.00 0.00 N ATOM 595 CA LYS A 39 106.010 -10.180 3.892 1.00 0.00 C ATOM 596 C LYS A 39 106.568 -9.610 2.587 1.00 0.00 C ATOM 597 O LYS A 39 106.131 -9.964 1.513 1.00 0.00 O ATOM 598 CB LYS A 39 105.597 -9.033 4.814 1.00 0.00 C ATOM 599 CG LYS A 39 104.428 -8.274 4.186 1.00 0.00 C ATOM 600 CD LYS A 39 103.121 -8.722 4.839 1.00 0.00 C ATOM 601 CE LYS A 39 103.023 -8.133 6.246 1.00 0.00 C ATOM 602 NZ LYS A 39 103.493 -9.138 7.238 1.00 0.00 N ATOM 0 H LYS A 39 107.361 -10.667 5.471 1.00 0.00 H new ATOM 0 HA LYS A 39 105.141 -10.801 3.675 1.00 0.00 H new ATOM 0 HB2 LYS A 39 105.310 -9.422 5.791 1.00 0.00 H new ATOM 0 HB3 LYS A 39 106.439 -8.359 4.974 1.00 0.00 H new ATOM 0 HG2 LYS A 39 104.564 -7.201 4.318 1.00 0.00 H new ATOM 0 HG3 LYS A 39 104.394 -8.461 3.113 1.00 0.00 H new ATOM 0 HD2 LYS A 39 102.272 -8.397 4.238 1.00 0.00 H new ATOM 0 HD3 LYS A 39 103.080 -9.810 4.886 1.00 0.00 H new ATOM 0 HE2 LYS A 39 103.626 -7.228 6.316 1.00 0.00 H new ATOM 0 HE3 LYS A 39 101.993 -7.847 6.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 103.922 -8.650 8.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 102.686 -9.708 7.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 104.199 -9.759 6.795 1.00 0.00 H new ATOM 616 N ALA A 40 107.528 -8.733 2.667 1.00 0.00 N ATOM 617 CA ALA A 40 108.102 -8.149 1.421 1.00 0.00 C ATOM 618 C ALA A 40 108.363 -9.260 0.401 1.00 0.00 C ATOM 619 O ALA A 40 108.288 -9.046 -0.792 1.00 0.00 O ATOM 620 CB ALA A 40 109.419 -7.444 1.743 1.00 0.00 C ATOM 0 H ALA A 40 107.940 -8.395 3.537 1.00 0.00 H new ATOM 0 HA ALA A 40 107.394 -7.432 1.006 1.00 0.00 H new ATOM 0 HB1 ALA A 40 109.836 -7.018 0.831 1.00 0.00 H new ATOM 0 HB2 ALA A 40 109.238 -6.648 2.465 1.00 0.00 H new ATOM 0 HB3 ALA A 40 110.123 -8.162 2.163 1.00 0.00 H new ATOM 626 N ALA A 41 108.674 -10.440 0.859 1.00 0.00 N ATOM 627 CA ALA A 41 108.943 -11.558 -0.091 1.00 0.00 C ATOM 628 C ALA A 41 107.682 -11.851 -0.903 1.00 0.00 C ATOM 629 O ALA A 41 107.708 -11.899 -2.116 1.00 0.00 O ATOM 630 CB ALA A 41 109.351 -12.807 0.691 1.00 0.00 C ATOM 0 H ALA A 41 108.754 -10.680 1.847 1.00 0.00 H new ATOM 0 HA ALA A 41 109.751 -11.275 -0.766 1.00 0.00 H new ATOM 0 HB1 ALA A 41 109.547 -13.623 -0.004 1.00 0.00 H new ATOM 0 HB2 ALA A 41 110.252 -12.597 1.268 1.00 0.00 H new ATOM 0 HB3 ALA A 41 108.545 -13.092 1.367 1.00 0.00 H new ATOM 636 N LEU A 42 106.579 -12.045 -0.241 1.00 0.00 N ATOM 637 CA LEU A 42 105.312 -12.333 -0.971 1.00 0.00 C ATOM 638 C LEU A 42 104.939 -11.121 -1.828 1.00 0.00 C ATOM 639 O LEU A 42 104.672 -11.240 -3.007 1.00 0.00 O ATOM 640 CB LEU A 42 104.194 -12.613 0.036 1.00 0.00 C ATOM 641 CG LEU A 42 104.334 -14.037 0.574 1.00 0.00 C ATOM 642 CD1 LEU A 42 104.843 -13.991 2.016 1.00 0.00 C ATOM 643 CD2 LEU A 42 102.971 -14.732 0.538 1.00 0.00 C ATOM 0 H LEU A 42 106.498 -12.017 0.775 1.00 0.00 H new ATOM 0 HA LEU A 42 105.447 -13.205 -1.610 1.00 0.00 H new ATOM 0 HB2 LEU A 42 104.242 -11.897 0.856 1.00 0.00 H new ATOM 0 HB3 LEU A 42 103.222 -12.487 -0.440 1.00 0.00 H new ATOM 0 HG LEU A 42 105.042 -14.590 -0.044 1.00 0.00 H new ATOM 0 HD11 LEU A 42 104.943 -15.007 2.399 1.00 0.00 H new ATOM 0 HD12 LEU A 42 105.814 -13.496 2.044 1.00 0.00 H new ATOM 0 HD13 LEU A 42 104.136 -13.438 2.634 1.00 0.00 H new ATOM 0 HD21 LEU A 42 103.070 -15.747 0.921 1.00 0.00 H new ATOM 0 HD22 LEU A 42 102.264 -14.178 1.156 1.00 0.00 H new ATOM 0 HD23 LEU A 42 102.607 -14.766 -0.489 1.00 0.00 H new ATOM 655 N LEU A 43 104.918 -9.955 -1.243 1.00 0.00 N ATOM 656 CA LEU A 43 104.563 -8.735 -2.019 1.00 0.00 C ATOM 657 C LEU A 43 105.515 -8.589 -3.208 1.00 0.00 C ATOM 658 O LEU A 43 105.184 -7.981 -4.205 1.00 0.00 O ATOM 659 CB LEU A 43 104.681 -7.500 -1.120 1.00 0.00 C ATOM 660 CG LEU A 43 103.799 -7.671 0.119 1.00 0.00 C ATOM 661 CD1 LEU A 43 103.606 -6.312 0.797 1.00 0.00 C ATOM 662 CD2 LEU A 43 102.433 -8.227 -0.290 1.00 0.00 C ATOM 0 H LEU A 43 105.132 -9.795 -0.259 1.00 0.00 H new ATOM 0 HA LEU A 43 103.539 -8.825 -2.381 1.00 0.00 H new ATOM 0 HB2 LEU A 43 105.719 -7.355 -0.821 1.00 0.00 H new ATOM 0 HB3 LEU A 43 104.381 -6.609 -1.671 1.00 0.00 H new ATOM 0 HG LEU A 43 104.281 -8.364 0.809 1.00 0.00 H new ATOM 0 HD11 LEU A 43 102.978 -6.432 1.680 1.00 0.00 H new ATOM 0 HD12 LEU A 43 104.576 -5.912 1.093 1.00 0.00 H new ATOM 0 HD13 LEU A 43 103.127 -5.623 0.101 1.00 0.00 H new ATOM 0 HD21 LEU A 43 101.809 -8.347 0.596 1.00 0.00 H new ATOM 0 HD22 LEU A 43 101.952 -7.536 -0.982 1.00 0.00 H new ATOM 0 HD23 LEU A 43 102.564 -9.194 -0.775 1.00 0.00 H new ATOM 674 N TYR A 44 106.694 -9.138 -3.118 1.00 0.00 N ATOM 675 CA TYR A 44 107.641 -9.015 -4.258 1.00 0.00 C ATOM 676 C TYR A 44 106.976 -9.568 -5.520 1.00 0.00 C ATOM 677 O TYR A 44 106.609 -8.832 -6.413 1.00 0.00 O ATOM 678 CB TYR A 44 108.926 -9.796 -3.965 1.00 0.00 C ATOM 679 CG TYR A 44 110.066 -9.189 -4.752 1.00 0.00 C ATOM 680 CD1 TYR A 44 110.595 -7.948 -4.375 1.00 0.00 C ATOM 681 CD2 TYR A 44 110.588 -9.861 -5.865 1.00 0.00 C ATOM 682 CE1 TYR A 44 111.643 -7.382 -5.112 1.00 0.00 C ATOM 683 CE2 TYR A 44 111.634 -9.293 -6.600 1.00 0.00 C ATOM 684 CZ TYR A 44 112.161 -8.052 -6.224 1.00 0.00 C ATOM 685 OH TYR A 44 113.189 -7.486 -6.952 1.00 0.00 O ATOM 0 H TYR A 44 107.039 -9.661 -2.313 1.00 0.00 H new ATOM 0 HA TYR A 44 107.897 -7.966 -4.404 1.00 0.00 H new ATOM 0 HB2 TYR A 44 109.148 -9.767 -2.898 1.00 0.00 H new ATOM 0 HB3 TYR A 44 108.799 -10.844 -4.236 1.00 0.00 H new ATOM 0 HD1 TYR A 44 110.195 -7.428 -3.517 1.00 0.00 H new ATOM 0 HD2 TYR A 44 110.182 -10.819 -6.156 1.00 0.00 H new ATOM 0 HE1 TYR A 44 112.052 -6.426 -4.820 1.00 0.00 H new ATOM 0 HE2 TYR A 44 112.035 -9.812 -7.458 1.00 0.00 H new ATOM 0 HH TYR A 44 113.134 -6.509 -6.892 1.00 0.00 H new ATOM 695 N LYS A 45 106.811 -10.860 -5.596 1.00 0.00 N ATOM 696 CA LYS A 45 106.164 -11.461 -6.796 1.00 0.00 C ATOM 697 C LYS A 45 104.724 -10.953 -6.910 1.00 0.00 C ATOM 698 O LYS A 45 104.086 -11.097 -7.934 1.00 0.00 O ATOM 699 CB LYS A 45 106.156 -12.984 -6.660 1.00 0.00 C ATOM 700 CG LYS A 45 106.674 -13.618 -7.954 1.00 0.00 C ATOM 701 CD LYS A 45 105.732 -14.745 -8.381 1.00 0.00 C ATOM 702 CE LYS A 45 106.531 -16.038 -8.557 1.00 0.00 C ATOM 703 NZ LYS A 45 106.169 -16.675 -9.853 1.00 0.00 N ATOM 0 H LYS A 45 107.097 -11.526 -4.878 1.00 0.00 H new ATOM 0 HA LYS A 45 106.721 -11.177 -7.689 1.00 0.00 H new ATOM 0 HB2 LYS A 45 106.780 -13.287 -5.819 1.00 0.00 H new ATOM 0 HB3 LYS A 45 105.146 -13.335 -6.450 1.00 0.00 H new ATOM 0 HG2 LYS A 45 106.738 -12.866 -8.740 1.00 0.00 H new ATOM 0 HG3 LYS A 45 107.681 -14.008 -7.803 1.00 0.00 H new ATOM 0 HD2 LYS A 45 104.953 -14.886 -7.632 1.00 0.00 H new ATOM 0 HD3 LYS A 45 105.234 -14.483 -9.314 1.00 0.00 H new ATOM 0 HE2 LYS A 45 107.599 -15.824 -8.531 1.00 0.00 H new ATOM 0 HE3 LYS A 45 106.323 -16.721 -7.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 106.713 -17.554 -9.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 105.152 -16.893 -9.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 106.389 -16.024 -10.633 1.00 0.00 H new ATOM 717 N LYS A 46 104.204 -10.365 -5.866 1.00 0.00 N ATOM 718 CA LYS A 46 102.805 -9.855 -5.920 1.00 0.00 C ATOM 719 C LYS A 46 102.798 -8.426 -6.468 1.00 0.00 C ATOM 720 O LYS A 46 102.576 -8.210 -7.642 1.00 0.00 O ATOM 721 CB LYS A 46 102.203 -9.872 -4.513 1.00 0.00 C ATOM 722 CG LYS A 46 101.027 -10.851 -4.477 1.00 0.00 C ATOM 723 CD LYS A 46 100.895 -11.444 -3.073 1.00 0.00 C ATOM 724 CE LYS A 46 100.241 -12.825 -3.161 1.00 0.00 C ATOM 725 NZ LYS A 46 101.298 -13.874 -3.209 1.00 0.00 N ATOM 0 H LYS A 46 104.687 -10.216 -4.980 1.00 0.00 H new ATOM 0 HA LYS A 46 102.211 -10.492 -6.576 1.00 0.00 H new ATOM 0 HB2 LYS A 46 102.959 -10.167 -3.785 1.00 0.00 H new ATOM 0 HB3 LYS A 46 101.867 -8.872 -4.237 1.00 0.00 H new ATOM 0 HG2 LYS A 46 100.106 -10.339 -4.754 1.00 0.00 H new ATOM 0 HG3 LYS A 46 101.181 -11.647 -5.206 1.00 0.00 H new ATOM 0 HD2 LYS A 46 101.877 -11.524 -2.607 1.00 0.00 H new ATOM 0 HD3 LYS A 46 100.296 -10.786 -2.444 1.00 0.00 H new ATOM 0 HE2 LYS A 46 99.592 -12.987 -2.300 1.00 0.00 H new ATOM 0 HE3 LYS A 46 99.613 -12.886 -4.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 100.853 -14.812 -3.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 101.900 -13.722 -4.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 101.879 -13.821 -2.348 1.00 0.00 H new ATOM 739 N ILE A 47 103.033 -7.451 -5.624 1.00 0.00 N ATOM 740 CA ILE A 47 103.040 -6.031 -6.089 1.00 0.00 C ATOM 741 C ILE A 47 103.681 -5.943 -7.479 1.00 0.00 C ATOM 742 O ILE A 47 103.354 -5.084 -8.272 1.00 0.00 O ATOM 743 CB ILE A 47 103.854 -5.175 -5.118 1.00 0.00 C ATOM 744 CG1 ILE A 47 103.144 -5.109 -3.759 1.00 0.00 C ATOM 745 CG2 ILE A 47 104.009 -3.765 -5.696 1.00 0.00 C ATOM 746 CD1 ILE A 47 101.987 -4.105 -3.816 1.00 0.00 C ATOM 0 H ILE A 47 103.221 -7.579 -4.630 1.00 0.00 H new ATOM 0 HA ILE A 47 102.013 -5.669 -6.132 1.00 0.00 H new ATOM 0 HB ILE A 47 104.839 -5.620 -4.978 1.00 0.00 H new ATOM 0 HG12 ILE A 47 102.767 -6.095 -3.489 1.00 0.00 H new ATOM 0 HG13 ILE A 47 103.852 -4.816 -2.984 1.00 0.00 H new ATOM 0 HG21 ILE A 47 104.589 -3.151 -5.007 1.00 0.00 H new ATOM 0 HG22 ILE A 47 104.524 -3.819 -6.655 1.00 0.00 H new ATOM 0 HG23 ILE A 47 103.024 -3.320 -5.838 1.00 0.00 H new ATOM 0 HD11 ILE A 47 101.491 -4.067 -2.846 1.00 0.00 H new ATOM 0 HD12 ILE A 47 102.375 -3.117 -4.065 1.00 0.00 H new ATOM 0 HD13 ILE A 47 101.272 -4.417 -4.578 1.00 0.00 H new ATOM 758 N MET A 48 104.599 -6.825 -7.771 1.00 0.00 N ATOM 759 CA MET A 48 105.275 -6.798 -9.100 1.00 0.00 C ATOM 760 C MET A 48 104.252 -6.555 -10.213 1.00 0.00 C ATOM 761 O MET A 48 104.249 -5.518 -10.847 1.00 0.00 O ATOM 762 CB MET A 48 105.979 -8.135 -9.338 1.00 0.00 C ATOM 763 CG MET A 48 107.478 -7.892 -9.544 1.00 0.00 C ATOM 764 SD MET A 48 108.427 -8.980 -8.451 1.00 0.00 S ATOM 765 CE MET A 48 109.873 -7.907 -8.258 1.00 0.00 C ATOM 0 H MET A 48 104.911 -7.566 -7.143 1.00 0.00 H new ATOM 0 HA MET A 48 106.005 -5.988 -9.110 1.00 0.00 H new ATOM 0 HB2 MET A 48 105.820 -8.798 -8.488 1.00 0.00 H new ATOM 0 HB3 MET A 48 105.556 -8.631 -10.212 1.00 0.00 H new ATOM 0 HG2 MET A 48 107.747 -8.080 -10.583 1.00 0.00 H new ATOM 0 HG3 MET A 48 107.720 -6.850 -9.335 1.00 0.00 H new ATOM 0 HE1 MET A 48 110.766 -8.437 -8.590 1.00 0.00 H new ATOM 0 HE2 MET A 48 109.741 -7.007 -8.859 1.00 0.00 H new ATOM 0 HE3 MET A 48 109.984 -7.631 -7.209 1.00 0.00 H new ATOM 775 N GLU A 49 103.393 -7.505 -10.469 1.00 0.00 N ATOM 776 CA GLU A 49 102.385 -7.327 -11.556 1.00 0.00 C ATOM 777 C GLU A 49 101.106 -6.698 -10.993 1.00 0.00 C ATOM 778 O GLU A 49 100.108 -6.589 -11.677 1.00 0.00 O ATOM 779 CB GLU A 49 102.055 -8.690 -12.169 1.00 0.00 C ATOM 780 CG GLU A 49 101.619 -8.507 -13.625 1.00 0.00 C ATOM 781 CD GLU A 49 100.120 -8.203 -13.676 1.00 0.00 C ATOM 782 OE1 GLU A 49 99.421 -8.610 -12.762 1.00 0.00 O ATOM 783 OE2 GLU A 49 99.697 -7.567 -14.626 1.00 0.00 O ATOM 0 H GLU A 49 103.345 -8.395 -9.974 1.00 0.00 H new ATOM 0 HA GLU A 49 102.797 -6.668 -12.320 1.00 0.00 H new ATOM 0 HB2 GLU A 49 102.926 -9.343 -12.119 1.00 0.00 H new ATOM 0 HB3 GLU A 49 101.261 -9.174 -11.599 1.00 0.00 H new ATOM 0 HG2 GLU A 49 102.181 -7.694 -14.084 1.00 0.00 H new ATOM 0 HG3 GLU A 49 101.837 -9.409 -14.197 1.00 0.00 H new ATOM 790 N LYS A 50 101.123 -6.279 -9.759 1.00 0.00 N ATOM 791 CA LYS A 50 99.901 -5.659 -9.171 1.00 0.00 C ATOM 792 C LYS A 50 99.860 -4.172 -9.528 1.00 0.00 C ATOM 793 O LYS A 50 98.830 -3.637 -9.887 1.00 0.00 O ATOM 794 CB LYS A 50 99.927 -5.815 -7.652 1.00 0.00 C ATOM 795 CG LYS A 50 98.557 -5.451 -7.075 1.00 0.00 C ATOM 796 CD LYS A 50 97.730 -6.720 -6.844 1.00 0.00 C ATOM 797 CE LYS A 50 98.537 -7.718 -6.011 1.00 0.00 C ATOM 798 NZ LYS A 50 98.901 -8.889 -6.858 1.00 0.00 N ATOM 0 H LYS A 50 101.926 -6.338 -9.133 1.00 0.00 H new ATOM 0 HA LYS A 50 99.017 -6.155 -9.572 1.00 0.00 H new ATOM 0 HB2 LYS A 50 100.184 -6.840 -7.386 1.00 0.00 H new ATOM 0 HB3 LYS A 50 100.696 -5.172 -7.223 1.00 0.00 H new ATOM 0 HG2 LYS A 50 98.681 -4.912 -6.136 1.00 0.00 H new ATOM 0 HG3 LYS A 50 98.031 -4.784 -7.758 1.00 0.00 H new ATOM 0 HD2 LYS A 50 96.801 -6.472 -6.331 1.00 0.00 H new ATOM 0 HD3 LYS A 50 97.457 -7.167 -7.800 1.00 0.00 H new ATOM 0 HE2 LYS A 50 99.438 -7.241 -5.624 1.00 0.00 H new ATOM 0 HE3 LYS A 50 97.954 -8.045 -5.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 99.842 -9.237 -6.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 98.200 -9.645 -6.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 98.916 -8.603 -7.858 1.00 0.00 H new ATOM 812 N TYR A 51 100.973 -3.500 -9.429 1.00 0.00 N ATOM 813 CA TYR A 51 100.997 -2.048 -9.760 1.00 0.00 C ATOM 814 C TYR A 51 102.133 -1.759 -10.736 1.00 0.00 C ATOM 815 O TYR A 51 102.697 -0.686 -10.716 1.00 0.00 O ATOM 816 CB TYR A 51 101.253 -1.235 -8.489 1.00 0.00 C ATOM 817 CG TYR A 51 100.124 -1.425 -7.510 1.00 0.00 C ATOM 818 CD1 TYR A 51 100.136 -2.509 -6.625 1.00 0.00 C ATOM 819 CD2 TYR A 51 99.069 -0.509 -7.486 1.00 0.00 C ATOM 820 CE1 TYR A 51 99.086 -2.674 -5.714 1.00 0.00 C ATOM 821 CE2 TYR A 51 98.021 -0.674 -6.579 1.00 0.00 C ATOM 822 CZ TYR A 51 98.027 -1.756 -5.691 1.00 0.00 C ATOM 823 OH TYR A 51 96.991 -1.921 -4.794 1.00 0.00 O ATOM 0 H TYR A 51 101.867 -3.893 -9.133 1.00 0.00 H new ATOM 0 HA TYR A 51 100.038 -1.776 -10.202 1.00 0.00 H new ATOM 0 HB2 TYR A 51 102.194 -1.545 -8.034 1.00 0.00 H new ATOM 0 HB3 TYR A 51 101.353 -0.179 -8.739 1.00 0.00 H new ATOM 0 HD1 TYR A 51 100.952 -3.216 -6.645 1.00 0.00 H new ATOM 0 HD2 TYR A 51 99.065 0.327 -8.170 1.00 0.00 H new ATOM 0 HE1 TYR A 51 99.092 -3.509 -5.029 1.00 0.00 H new ATOM 0 HE2 TYR A 51 97.205 0.033 -6.562 1.00 0.00 H new ATOM 0 HH TYR A 51 96.340 -1.197 -4.909 1.00 0.00 H new ATOM 833 N SER A 52 102.499 -2.702 -11.570 1.00 0.00 N ATOM 834 CA SER A 52 103.634 -2.451 -12.512 1.00 0.00 C ATOM 835 C SER A 52 104.734 -1.745 -11.723 1.00 0.00 C ATOM 836 O SER A 52 105.222 -0.699 -12.099 1.00 0.00 O ATOM 837 CB SER A 52 103.175 -1.562 -13.667 1.00 0.00 C ATOM 838 OG SER A 52 101.793 -1.266 -13.515 1.00 0.00 O ATOM 0 H SER A 52 102.067 -3.623 -11.639 1.00 0.00 H new ATOM 0 HA SER A 52 103.997 -3.390 -12.930 1.00 0.00 H new ATOM 0 HB2 SER A 52 103.756 -0.640 -13.684 1.00 0.00 H new ATOM 0 HB3 SER A 52 103.348 -2.065 -14.618 1.00 0.00 H new ATOM 0 HG SER A 52 101.387 -1.137 -14.398 1.00 0.00 H new ATOM 844 N VAL A 53 105.062 -2.315 -10.597 1.00 0.00 N ATOM 845 CA VAL A 53 106.077 -1.744 -9.664 1.00 0.00 C ATOM 846 C VAL A 53 107.021 -0.742 -10.333 1.00 0.00 C ATOM 847 O VAL A 53 107.335 0.284 -9.763 1.00 0.00 O ATOM 848 CB VAL A 53 106.897 -2.886 -9.071 1.00 0.00 C ATOM 849 CG1 VAL A 53 106.049 -3.622 -8.037 1.00 0.00 C ATOM 850 CG2 VAL A 53 107.304 -3.856 -10.184 1.00 0.00 C ATOM 0 H VAL A 53 104.651 -3.190 -10.272 1.00 0.00 H new ATOM 0 HA VAL A 53 105.534 -1.198 -8.892 1.00 0.00 H new ATOM 0 HB VAL A 53 107.794 -2.488 -8.596 1.00 0.00 H new ATOM 0 HG11 VAL A 53 106.627 -4.440 -7.608 1.00 0.00 H new ATOM 0 HG12 VAL A 53 105.757 -2.930 -7.247 1.00 0.00 H new ATOM 0 HG13 VAL A 53 105.156 -4.022 -8.517 1.00 0.00 H new ATOM 0 HG21 VAL A 53 107.890 -4.671 -9.760 1.00 0.00 H new ATOM 0 HG22 VAL A 53 106.410 -4.260 -10.659 1.00 0.00 H new ATOM 0 HG23 VAL A 53 107.902 -3.328 -10.926 1.00 0.00 H new ATOM 860 N THR A 54 107.513 -1.036 -11.501 1.00 0.00 N ATOM 861 CA THR A 54 108.473 -0.094 -12.151 1.00 0.00 C ATOM 862 C THR A 54 109.842 -0.256 -11.476 1.00 0.00 C ATOM 863 O THR A 54 110.803 0.395 -11.837 1.00 0.00 O ATOM 864 CB THR A 54 107.983 1.346 -11.977 1.00 0.00 C ATOM 865 OG1 THR A 54 106.577 1.345 -11.774 1.00 0.00 O ATOM 866 CG2 THR A 54 108.319 2.156 -13.229 1.00 0.00 C ATOM 0 H THR A 54 107.297 -1.879 -12.033 1.00 0.00 H new ATOM 0 HA THR A 54 108.549 -0.314 -13.216 1.00 0.00 H new ATOM 0 HB THR A 54 108.474 1.795 -11.114 1.00 0.00 H new ATOM 0 HG1 THR A 54 106.167 0.650 -12.330 1.00 0.00 H new ATOM 0 HG21 THR A 54 107.970 3.181 -13.104 1.00 0.00 H new ATOM 0 HG22 THR A 54 109.398 2.157 -13.383 1.00 0.00 H new ATOM 0 HG23 THR A 54 107.829 1.709 -14.094 1.00 0.00 H new ATOM 874 N PHE A 55 109.916 -1.128 -10.497 1.00 0.00 N ATOM 875 CA PHE A 55 111.181 -1.383 -9.752 1.00 0.00 C ATOM 876 C PHE A 55 110.810 -1.729 -8.308 1.00 0.00 C ATOM 877 O PHE A 55 110.030 -1.040 -7.681 1.00 0.00 O ATOM 878 CB PHE A 55 112.089 -0.142 -9.749 1.00 0.00 C ATOM 879 CG PHE A 55 113.051 -0.246 -8.585 1.00 0.00 C ATOM 880 CD1 PHE A 55 114.231 -0.983 -8.715 1.00 0.00 C ATOM 881 CD2 PHE A 55 112.736 0.366 -7.365 1.00 0.00 C ATOM 882 CE1 PHE A 55 115.098 -1.111 -7.627 1.00 0.00 C ATOM 883 CE2 PHE A 55 113.606 0.244 -6.278 1.00 0.00 C ATOM 884 CZ PHE A 55 114.786 -0.496 -6.407 1.00 0.00 C ATOM 0 H PHE A 55 109.125 -1.687 -10.178 1.00 0.00 H new ATOM 0 HA PHE A 55 111.723 -2.197 -10.234 1.00 0.00 H new ATOM 0 HB2 PHE A 55 112.638 -0.074 -10.688 1.00 0.00 H new ATOM 0 HB3 PHE A 55 111.490 0.764 -9.664 1.00 0.00 H new ATOM 0 HD1 PHE A 55 114.473 -1.454 -9.656 1.00 0.00 H new ATOM 0 HD2 PHE A 55 111.822 0.932 -7.264 1.00 0.00 H new ATOM 0 HE1 PHE A 55 116.008 -1.684 -7.726 1.00 0.00 H new ATOM 0 HE2 PHE A 55 113.367 0.721 -5.339 1.00 0.00 H new ATOM 0 HZ PHE A 55 115.457 -0.593 -5.566 1.00 0.00 H new ATOM 894 N ILE A 56 111.368 -2.772 -7.766 1.00 0.00 N ATOM 895 CA ILE A 56 111.045 -3.119 -6.361 1.00 0.00 C ATOM 896 C ILE A 56 112.289 -3.706 -5.698 1.00 0.00 C ATOM 897 O ILE A 56 112.922 -4.598 -6.227 1.00 0.00 O ATOM 898 CB ILE A 56 109.895 -4.123 -6.331 1.00 0.00 C ATOM 899 CG1 ILE A 56 109.726 -4.666 -4.913 1.00 0.00 C ATOM 900 CG2 ILE A 56 110.189 -5.275 -7.290 1.00 0.00 C ATOM 901 CD1 ILE A 56 108.375 -5.368 -4.805 1.00 0.00 C ATOM 0 H ILE A 56 112.029 -3.394 -8.232 1.00 0.00 H new ATOM 0 HA ILE A 56 110.737 -2.227 -5.816 1.00 0.00 H new ATOM 0 HB ILE A 56 108.976 -3.625 -6.640 1.00 0.00 H new ATOM 0 HG12 ILE A 56 110.531 -5.362 -4.678 1.00 0.00 H new ATOM 0 HG13 ILE A 56 109.786 -3.853 -4.189 1.00 0.00 H new ATOM 0 HG21 ILE A 56 109.365 -5.989 -7.265 1.00 0.00 H new ATOM 0 HG22 ILE A 56 110.301 -4.886 -8.302 1.00 0.00 H new ATOM 0 HG23 ILE A 56 111.110 -5.773 -6.988 1.00 0.00 H new ATOM 0 HD11 ILE A 56 108.247 -5.758 -3.795 1.00 0.00 H new ATOM 0 HD12 ILE A 56 107.577 -4.658 -5.023 1.00 0.00 H new ATOM 0 HD13 ILE A 56 108.334 -6.190 -5.520 1.00 0.00 H new ATOM 913 N SER A 57 112.668 -3.191 -4.559 1.00 0.00 N ATOM 914 CA SER A 57 113.897 -3.705 -3.896 1.00 0.00 C ATOM 915 C SER A 57 113.641 -4.058 -2.433 1.00 0.00 C ATOM 916 O SER A 57 113.222 -3.236 -1.646 1.00 0.00 O ATOM 917 CB SER A 57 114.975 -2.631 -3.952 1.00 0.00 C ATOM 918 OG SER A 57 114.367 -1.350 -3.849 1.00 0.00 O ATOM 0 H SER A 57 112.183 -2.443 -4.064 1.00 0.00 H new ATOM 0 HA SER A 57 114.212 -4.607 -4.420 1.00 0.00 H new ATOM 0 HB2 SER A 57 115.689 -2.774 -3.141 1.00 0.00 H new ATOM 0 HB3 SER A 57 115.533 -2.708 -4.885 1.00 0.00 H new ATOM 0 HG SER A 57 114.025 -1.079 -4.726 1.00 0.00 H new ATOM 924 N ARG A 58 113.936 -5.269 -2.056 1.00 0.00 N ATOM 925 CA ARG A 58 113.756 -5.674 -0.638 1.00 0.00 C ATOM 926 C ARG A 58 115.060 -5.381 0.107 1.00 0.00 C ATOM 927 O ARG A 58 116.078 -5.996 -0.149 1.00 0.00 O ATOM 928 CB ARG A 58 113.453 -7.171 -0.566 1.00 0.00 C ATOM 929 CG ARG A 58 111.971 -7.377 -0.254 1.00 0.00 C ATOM 930 CD ARG A 58 111.606 -8.846 -0.464 1.00 0.00 C ATOM 931 NE ARG A 58 112.257 -9.673 0.591 1.00 0.00 N ATOM 932 CZ ARG A 58 113.045 -10.658 0.257 1.00 0.00 C ATOM 933 NH1 ARG A 58 114.166 -10.414 -0.365 1.00 0.00 N ATOM 934 NH2 ARG A 58 112.713 -11.886 0.545 1.00 0.00 N ATOM 0 H ARG A 58 114.295 -5.998 -2.672 1.00 0.00 H new ATOM 0 HA ARG A 58 112.929 -5.124 -0.189 1.00 0.00 H new ATOM 0 HB2 ARG A 58 113.706 -7.650 -1.512 1.00 0.00 H new ATOM 0 HB3 ARG A 58 114.066 -7.640 0.203 1.00 0.00 H new ATOM 0 HG2 ARG A 58 111.760 -7.082 0.774 1.00 0.00 H new ATOM 0 HG3 ARG A 58 111.361 -6.744 -0.899 1.00 0.00 H new ATOM 0 HD2 ARG A 58 110.524 -8.973 -0.425 1.00 0.00 H new ATOM 0 HD3 ARG A 58 111.930 -9.175 -1.451 1.00 0.00 H new ATOM 0 HE ARG A 58 112.086 -9.469 1.576 1.00 0.00 H new ATOM 0 HH11 ARG A 58 114.426 -9.454 -0.590 1.00 0.00 H new ATOM 0 HH12 ARG A 58 114.782 -11.184 -0.626 1.00 0.00 H new ATOM 0 HH21 ARG A 58 111.837 -12.077 1.032 1.00 0.00 H new ATOM 0 HH22 ARG A 58 113.329 -12.656 0.284 1.00 0.00 H new ATOM 948 N HIS A 59 115.045 -4.435 1.010 1.00 0.00 N ATOM 949 CA HIS A 59 116.293 -4.096 1.752 1.00 0.00 C ATOM 950 C HIS A 59 116.189 -4.578 3.201 1.00 0.00 C ATOM 951 O HIS A 59 115.147 -5.014 3.650 1.00 0.00 O ATOM 952 CB HIS A 59 116.492 -2.578 1.748 1.00 0.00 C ATOM 953 CG HIS A 59 116.694 -2.089 0.340 1.00 0.00 C ATOM 954 ND1 HIS A 59 117.954 -1.947 -0.221 1.00 0.00 N ATOM 955 CD2 HIS A 59 115.807 -1.688 -0.628 1.00 0.00 C ATOM 956 CE1 HIS A 59 117.791 -1.478 -1.471 1.00 0.00 C ATOM 957 NE2 HIS A 59 116.502 -1.301 -1.769 1.00 0.00 N ATOM 0 H HIS A 59 114.225 -3.885 1.264 1.00 0.00 H new ATOM 0 HA HIS A 59 117.137 -4.585 1.266 1.00 0.00 H new ATOM 0 HB2 HIS A 59 115.625 -2.088 2.191 1.00 0.00 H new ATOM 0 HB3 HIS A 59 117.354 -2.314 2.360 1.00 0.00 H new ATOM 0 HD2 HIS A 59 114.732 -1.675 -0.520 1.00 0.00 H new ATOM 0 HE1 HIS A 59 118.604 -1.270 -2.151 1.00 0.00 H new ATOM 0 HE2 HIS A 59 116.111 -0.956 -2.645 1.00 0.00 H new ATOM 965 N ASN A 60 117.264 -4.492 3.937 1.00 0.00 N ATOM 966 CA ASN A 60 117.239 -4.930 5.361 1.00 0.00 C ATOM 967 C ASN A 60 117.553 -3.730 6.256 1.00 0.00 C ATOM 968 O ASN A 60 118.390 -2.910 5.934 1.00 0.00 O ATOM 969 CB ASN A 60 118.289 -6.021 5.580 1.00 0.00 C ATOM 970 CG ASN A 60 117.669 -7.391 5.298 1.00 0.00 C ATOM 971 OD1 ASN A 60 116.641 -7.730 5.850 1.00 0.00 O ATOM 972 ND2 ASN A 60 118.256 -8.197 4.457 1.00 0.00 N ATOM 0 H ASN A 60 118.162 -4.135 3.611 1.00 0.00 H new ATOM 0 HA ASN A 60 116.254 -5.326 5.608 1.00 0.00 H new ATOM 0 HB2 ASN A 60 119.144 -5.855 4.924 1.00 0.00 H new ATOM 0 HB3 ASN A 60 118.661 -5.982 6.604 1.00 0.00 H new ATOM 0 HD21 ASN A 60 117.852 -9.113 4.262 1.00 0.00 H new ATOM 0 HD22 ASN A 60 119.119 -7.911 3.994 1.00 0.00 H new ATOM 979 N SER A 61 116.890 -3.615 7.374 1.00 0.00 N ATOM 980 CA SER A 61 117.155 -2.458 8.276 1.00 0.00 C ATOM 981 C SER A 61 117.628 -2.956 9.643 1.00 0.00 C ATOM 982 O SER A 61 118.805 -3.157 9.867 1.00 0.00 O ATOM 983 CB SER A 61 115.875 -1.639 8.445 1.00 0.00 C ATOM 984 OG SER A 61 114.756 -2.438 8.082 1.00 0.00 O ATOM 0 H SER A 61 116.179 -4.269 7.701 1.00 0.00 H new ATOM 0 HA SER A 61 117.933 -1.834 7.836 1.00 0.00 H new ATOM 0 HB2 SER A 61 115.778 -1.304 9.478 1.00 0.00 H new ATOM 0 HB3 SER A 61 115.916 -0.745 7.822 1.00 0.00 H new ATOM 0 HG SER A 61 114.019 -2.272 8.706 1.00 0.00 H new ATOM 990 N TYR A 62 116.724 -3.146 10.564 1.00 0.00 N ATOM 991 CA TYR A 62 117.132 -3.619 11.915 1.00 0.00 C ATOM 992 C TYR A 62 116.504 -4.982 12.206 1.00 0.00 C ATOM 993 O TYR A 62 117.165 -5.895 12.658 1.00 0.00 O ATOM 994 CB TYR A 62 116.667 -2.608 12.967 1.00 0.00 C ATOM 995 CG TYR A 62 116.979 -1.209 12.493 1.00 0.00 C ATOM 996 CD1 TYR A 62 118.130 -0.967 11.732 1.00 0.00 C ATOM 997 CD2 TYR A 62 116.118 -0.152 12.812 1.00 0.00 C ATOM 998 CE1 TYR A 62 118.418 0.329 11.292 1.00 0.00 C ATOM 999 CE2 TYR A 62 116.407 1.143 12.373 1.00 0.00 C ATOM 1000 CZ TYR A 62 117.558 1.385 11.613 1.00 0.00 C ATOM 1001 OH TYR A 62 117.843 2.663 11.179 1.00 0.00 O ATOM 0 H TYR A 62 115.723 -2.994 10.439 1.00 0.00 H new ATOM 0 HA TYR A 62 118.217 -3.714 11.948 1.00 0.00 H new ATOM 0 HB2 TYR A 62 115.596 -2.714 13.141 1.00 0.00 H new ATOM 0 HB3 TYR A 62 117.165 -2.801 13.917 1.00 0.00 H new ATOM 0 HD1 TYR A 62 118.795 -1.781 11.485 1.00 0.00 H new ATOM 0 HD2 TYR A 62 115.230 -0.338 13.398 1.00 0.00 H new ATOM 0 HE1 TYR A 62 119.305 0.515 10.704 1.00 0.00 H new ATOM 0 HE2 TYR A 62 115.742 1.958 12.620 1.00 0.00 H new ATOM 0 HH TYR A 62 117.622 2.742 10.227 1.00 0.00 H new ATOM 1011 N ASN A 63 115.230 -5.129 11.962 1.00 0.00 N ATOM 1012 CA ASN A 63 114.572 -6.438 12.242 1.00 0.00 C ATOM 1013 C ASN A 63 113.746 -6.890 11.034 1.00 0.00 C ATOM 1014 O ASN A 63 113.530 -8.069 10.834 1.00 0.00 O ATOM 1015 CB ASN A 63 113.654 -6.293 13.457 1.00 0.00 C ATOM 1016 CG ASN A 63 114.440 -5.694 14.625 1.00 0.00 C ATOM 1017 OD1 ASN A 63 114.467 -4.493 14.802 1.00 0.00 O ATOM 1018 ND2 ASN A 63 115.085 -6.488 15.436 1.00 0.00 N ATOM 0 H ASN A 63 114.619 -4.405 11.583 1.00 0.00 H new ATOM 0 HA ASN A 63 115.341 -7.184 12.443 1.00 0.00 H new ATOM 0 HB2 ASN A 63 112.806 -5.654 13.211 1.00 0.00 H new ATOM 0 HB3 ASN A 63 113.250 -7.265 13.738 1.00 0.00 H new ATOM 0 HD21 ASN A 63 115.612 -6.100 16.218 1.00 0.00 H new ATOM 0 HD22 ASN A 63 115.062 -7.497 15.287 1.00 0.00 H new ATOM 1025 N HIS A 64 113.270 -5.976 10.233 1.00 0.00 N ATOM 1026 CA HIS A 64 112.452 -6.387 9.057 1.00 0.00 C ATOM 1027 C HIS A 64 113.039 -5.803 7.771 1.00 0.00 C ATOM 1028 O HIS A 64 114.085 -5.186 7.778 1.00 0.00 O ATOM 1029 CB HIS A 64 111.015 -5.903 9.248 1.00 0.00 C ATOM 1030 CG HIS A 64 110.414 -6.622 10.426 1.00 0.00 C ATOM 1031 ND1 HIS A 64 109.721 -6.170 11.518 1.00 0.00 N flip ATOM 1032 CD2 HIS A 64 110.508 -7.997 10.582 1.00 0.00 C flip ATOM 1033 CE1 HIS A 64 109.389 -7.241 12.342 1.00 0.00 C flip ATOM 1034 NE2 HIS A 64 109.887 -8.317 11.732 1.00 0.00 N flip ATOM 0 H HIS A 64 113.410 -4.971 10.340 1.00 0.00 H new ATOM 0 HA HIS A 64 112.460 -7.474 8.975 1.00 0.00 H new ATOM 0 HB2 HIS A 64 110.998 -4.826 9.415 1.00 0.00 H new ATOM 0 HB3 HIS A 64 110.429 -6.096 8.349 1.00 0.00 H new ATOM 0 HD2 HIS A 64 110.991 -8.685 9.904 1.00 0.00 H new ATOM 0 HE1 HIS A 64 108.845 -7.208 13.275 1.00 0.00 H new ATOM 0 HE2 HIS A 64 109.807 -9.267 12.093 1.00 0.00 H new ATOM 1042 N ASN A 65 112.381 -6.012 6.662 1.00 0.00 N ATOM 1043 CA ASN A 65 112.909 -5.491 5.371 1.00 0.00 C ATOM 1044 C ASN A 65 111.960 -4.437 4.792 1.00 0.00 C ATOM 1045 O ASN A 65 110.758 -4.495 4.977 1.00 0.00 O ATOM 1046 CB ASN A 65 113.041 -6.649 4.381 1.00 0.00 C ATOM 1047 CG ASN A 65 113.922 -7.741 4.989 1.00 0.00 C ATOM 1048 OD1 ASN A 65 114.121 -7.779 6.187 1.00 0.00 O ATOM 1049 ND2 ASN A 65 114.463 -8.637 4.210 1.00 0.00 N ATOM 0 H ASN A 65 111.500 -6.522 6.596 1.00 0.00 H new ATOM 0 HA ASN A 65 113.882 -5.032 5.544 1.00 0.00 H new ATOM 0 HB2 ASN A 65 112.057 -7.052 4.143 1.00 0.00 H new ATOM 0 HB3 ASN A 65 113.475 -6.295 3.446 1.00 0.00 H new ATOM 0 HD21 ASN A 65 115.053 -9.369 4.607 1.00 0.00 H new ATOM 0 HD22 ASN A 65 114.296 -8.606 3.204 1.00 0.00 H new ATOM 1056 N ILE A 66 112.494 -3.481 4.079 1.00 0.00 N ATOM 1057 CA ILE A 66 111.632 -2.428 3.469 1.00 0.00 C ATOM 1058 C ILE A 66 111.433 -2.751 1.988 1.00 0.00 C ATOM 1059 O ILE A 66 112.325 -2.581 1.180 1.00 0.00 O ATOM 1060 CB ILE A 66 112.307 -1.059 3.601 1.00 0.00 C ATOM 1061 CG1 ILE A 66 112.392 -0.673 5.081 1.00 0.00 C ATOM 1062 CG2 ILE A 66 111.488 -0.004 2.845 1.00 0.00 C ATOM 1063 CD1 ILE A 66 113.477 -1.506 5.765 1.00 0.00 C ATOM 0 H ILE A 66 113.492 -3.384 3.893 1.00 0.00 H new ATOM 0 HA ILE A 66 110.670 -2.402 3.982 1.00 0.00 H new ATOM 0 HB ILE A 66 113.310 -1.109 3.178 1.00 0.00 H new ATOM 0 HG12 ILE A 66 112.619 0.389 5.178 1.00 0.00 H new ATOM 0 HG13 ILE A 66 111.431 -0.840 5.567 1.00 0.00 H new ATOM 0 HG21 ILE A 66 111.971 0.969 2.941 1.00 0.00 H new ATOM 0 HG22 ILE A 66 111.427 -0.277 1.791 1.00 0.00 H new ATOM 0 HG23 ILE A 66 110.483 0.047 3.265 1.00 0.00 H new ATOM 0 HD11 ILE A 66 113.537 -1.231 6.818 1.00 0.00 H new ATOM 0 HD12 ILE A 66 113.231 -2.564 5.680 1.00 0.00 H new ATOM 0 HD13 ILE A 66 114.437 -1.317 5.285 1.00 0.00 H new ATOM 1075 N LEU A 67 110.272 -3.221 1.625 1.00 0.00 N ATOM 1076 CA LEU A 67 110.022 -3.555 0.196 1.00 0.00 C ATOM 1077 C LEU A 67 109.675 -2.278 -0.564 1.00 0.00 C ATOM 1078 O LEU A 67 108.557 -1.802 -0.536 1.00 0.00 O ATOM 1079 CB LEU A 67 108.862 -4.548 0.097 1.00 0.00 C ATOM 1080 CG LEU A 67 108.472 -4.749 -1.367 1.00 0.00 C ATOM 1081 CD1 LEU A 67 108.970 -6.115 -1.841 1.00 0.00 C ATOM 1082 CD2 LEU A 67 106.948 -4.691 -1.501 1.00 0.00 C ATOM 0 H LEU A 67 109.487 -3.388 2.255 1.00 0.00 H new ATOM 0 HA LEU A 67 110.915 -4.005 -0.238 1.00 0.00 H new ATOM 0 HB2 LEU A 67 109.150 -5.502 0.540 1.00 0.00 H new ATOM 0 HB3 LEU A 67 108.007 -4.179 0.663 1.00 0.00 H new ATOM 0 HG LEU A 67 108.922 -3.964 -1.975 1.00 0.00 H new ATOM 0 HD11 LEU A 67 108.693 -6.261 -2.885 1.00 0.00 H new ATOM 0 HD12 LEU A 67 110.055 -6.161 -1.743 1.00 0.00 H new ATOM 0 HD13 LEU A 67 108.518 -6.898 -1.233 1.00 0.00 H new ATOM 0 HD21 LEU A 67 106.669 -4.834 -2.545 1.00 0.00 H new ATOM 0 HD22 LEU A 67 106.499 -5.477 -0.894 1.00 0.00 H new ATOM 0 HD23 LEU A 67 106.589 -3.720 -1.160 1.00 0.00 H new ATOM 1094 N PHE A 68 110.633 -1.728 -1.248 1.00 0.00 N ATOM 1095 CA PHE A 68 110.395 -0.488 -2.026 1.00 0.00 C ATOM 1096 C PHE A 68 109.694 -0.857 -3.330 1.00 0.00 C ATOM 1097 O PHE A 68 110.077 -1.797 -3.988 1.00 0.00 O ATOM 1098 CB PHE A 68 111.750 0.148 -2.345 1.00 0.00 C ATOM 1099 CG PHE A 68 111.642 1.648 -2.272 1.00 0.00 C ATOM 1100 CD1 PHE A 68 110.942 2.248 -1.222 1.00 0.00 C ATOM 1101 CD2 PHE A 68 112.246 2.437 -3.258 1.00 0.00 C ATOM 1102 CE1 PHE A 68 110.841 3.637 -1.157 1.00 0.00 C ATOM 1103 CE2 PHE A 68 112.146 3.828 -3.193 1.00 0.00 C ATOM 1104 CZ PHE A 68 111.442 4.431 -2.142 1.00 0.00 C ATOM 0 H PHE A 68 111.585 -2.091 -1.301 1.00 0.00 H new ATOM 0 HA PHE A 68 109.778 0.209 -1.459 1.00 0.00 H new ATOM 0 HB2 PHE A 68 112.503 -0.206 -1.640 1.00 0.00 H new ATOM 0 HB3 PHE A 68 112.078 -0.154 -3.340 1.00 0.00 H new ATOM 0 HD1 PHE A 68 110.480 1.636 -0.461 1.00 0.00 H new ATOM 0 HD2 PHE A 68 112.788 1.971 -4.067 1.00 0.00 H new ATOM 0 HE1 PHE A 68 110.299 4.101 -0.346 1.00 0.00 H new ATOM 0 HE2 PHE A 68 112.611 4.439 -3.952 1.00 0.00 H new ATOM 0 HZ PHE A 68 111.363 5.507 -2.092 1.00 0.00 H new ATOM 1114 N PHE A 69 108.675 -0.139 -3.720 1.00 0.00 N ATOM 1115 CA PHE A 69 107.991 -0.493 -4.997 1.00 0.00 C ATOM 1116 C PHE A 69 107.354 0.747 -5.624 1.00 0.00 C ATOM 1117 O PHE A 69 106.643 1.500 -4.983 1.00 0.00 O ATOM 1118 CB PHE A 69 106.923 -1.565 -4.749 1.00 0.00 C ATOM 1119 CG PHE A 69 105.768 -0.990 -3.965 1.00 0.00 C ATOM 1120 CD1 PHE A 69 105.977 -0.491 -2.675 1.00 0.00 C ATOM 1121 CD2 PHE A 69 104.483 -0.970 -4.524 1.00 0.00 C ATOM 1122 CE1 PHE A 69 104.902 0.029 -1.945 1.00 0.00 C ATOM 1123 CE2 PHE A 69 103.410 -0.453 -3.795 1.00 0.00 C ATOM 1124 CZ PHE A 69 103.618 0.048 -2.505 1.00 0.00 C ATOM 0 H PHE A 69 108.292 0.663 -3.220 1.00 0.00 H new ATOM 0 HA PHE A 69 108.735 -0.890 -5.688 1.00 0.00 H new ATOM 0 HB2 PHE A 69 106.565 -1.957 -5.701 1.00 0.00 H new ATOM 0 HB3 PHE A 69 107.359 -2.402 -4.204 1.00 0.00 H new ATOM 0 HD1 PHE A 69 106.967 -0.507 -2.243 1.00 0.00 H new ATOM 0 HD2 PHE A 69 104.322 -1.355 -5.520 1.00 0.00 H new ATOM 0 HE1 PHE A 69 105.062 0.416 -0.949 1.00 0.00 H new ATOM 0 HE2 PHE A 69 102.420 -0.440 -4.227 1.00 0.00 H new ATOM 0 HZ PHE A 69 102.789 0.449 -1.941 1.00 0.00 H new ATOM 1134 N LEU A 70 107.611 0.951 -6.886 1.00 0.00 N ATOM 1135 CA LEU A 70 107.040 2.121 -7.606 1.00 0.00 C ATOM 1136 C LEU A 70 105.716 1.714 -8.244 1.00 0.00 C ATOM 1137 O LEU A 70 105.298 0.584 -8.151 1.00 0.00 O ATOM 1138 CB LEU A 70 108.003 2.537 -8.716 1.00 0.00 C ATOM 1139 CG LEU A 70 108.454 3.982 -8.520 1.00 0.00 C ATOM 1140 CD1 LEU A 70 109.162 4.123 -7.171 1.00 0.00 C ATOM 1141 CD2 LEU A 70 109.415 4.351 -9.653 1.00 0.00 C ATOM 0 H LEU A 70 108.202 0.346 -7.457 1.00 0.00 H new ATOM 0 HA LEU A 70 106.886 2.945 -6.909 1.00 0.00 H new ATOM 0 HB2 LEU A 70 108.870 1.877 -8.719 1.00 0.00 H new ATOM 0 HB3 LEU A 70 107.517 2.430 -9.686 1.00 0.00 H new ATOM 0 HG LEU A 70 107.591 4.648 -8.534 1.00 0.00 H new ATOM 0 HD11 LEU A 70 109.483 5.156 -7.035 1.00 0.00 H new ATOM 0 HD12 LEU A 70 108.477 3.847 -6.370 1.00 0.00 H new ATOM 0 HD13 LEU A 70 110.032 3.467 -7.146 1.00 0.00 H new ATOM 0 HD21 LEU A 70 109.747 5.382 -9.527 1.00 0.00 H new ATOM 0 HD22 LEU A 70 110.278 3.686 -9.629 1.00 0.00 H new ATOM 0 HD23 LEU A 70 108.905 4.248 -10.611 1.00 0.00 H new ATOM 1153 N THR A 71 105.063 2.622 -8.907 1.00 0.00 N ATOM 1154 CA THR A 71 103.778 2.278 -9.576 1.00 0.00 C ATOM 1155 C THR A 71 103.484 3.347 -10.639 1.00 0.00 C ATOM 1156 O THR A 71 103.746 4.513 -10.423 1.00 0.00 O ATOM 1157 CB THR A 71 102.650 2.243 -8.543 1.00 0.00 C ATOM 1158 OG1 THR A 71 102.632 3.473 -7.835 1.00 0.00 O ATOM 1159 CG2 THR A 71 102.859 1.087 -7.556 1.00 0.00 C ATOM 0 H THR A 71 105.363 3.591 -9.016 1.00 0.00 H new ATOM 0 HA THR A 71 103.849 1.297 -10.045 1.00 0.00 H new ATOM 0 HB THR A 71 101.701 2.093 -9.058 1.00 0.00 H new ATOM 0 HG1 THR A 71 101.708 3.788 -7.749 1.00 0.00 H new ATOM 0 HG21 THR A 71 102.047 1.078 -6.829 1.00 0.00 H new ATOM 0 HG22 THR A 71 102.870 0.142 -8.099 1.00 0.00 H new ATOM 0 HG23 THR A 71 103.809 1.218 -7.038 1.00 0.00 H new ATOM 1167 N PRO A 72 102.957 2.921 -11.760 1.00 0.00 N ATOM 1168 CA PRO A 72 102.634 3.828 -12.879 1.00 0.00 C ATOM 1169 C PRO A 72 101.347 4.611 -12.599 1.00 0.00 C ATOM 1170 O PRO A 72 101.386 5.773 -12.246 1.00 0.00 O ATOM 1171 CB PRO A 72 102.443 2.883 -14.067 1.00 0.00 C ATOM 1172 CG PRO A 72 102.109 1.499 -13.469 1.00 0.00 C ATOM 1173 CD PRO A 72 102.635 1.505 -12.020 1.00 0.00 C ATOM 0 HA PRO A 72 103.408 4.576 -13.049 1.00 0.00 H new ATOM 0 HB2 PRO A 72 101.639 3.231 -14.715 1.00 0.00 H new ATOM 0 HB3 PRO A 72 103.346 2.836 -14.676 1.00 0.00 H new ATOM 0 HG2 PRO A 72 101.034 1.317 -13.490 1.00 0.00 H new ATOM 0 HG3 PRO A 72 102.578 0.704 -14.048 1.00 0.00 H new ATOM 0 HD2 PRO A 72 101.885 1.132 -11.322 1.00 0.00 H new ATOM 0 HD3 PRO A 72 103.514 0.870 -11.912 1.00 0.00 H new ATOM 1181 N HIS A 73 100.207 3.991 -12.766 1.00 0.00 N ATOM 1182 CA HIS A 73 98.926 4.713 -12.519 1.00 0.00 C ATOM 1183 C HIS A 73 99.007 5.447 -11.178 1.00 0.00 C ATOM 1184 O HIS A 73 99.981 5.344 -10.461 1.00 0.00 O ATOM 1185 CB HIS A 73 97.755 3.719 -12.511 1.00 0.00 C ATOM 1186 CG HIS A 73 98.001 2.619 -11.510 1.00 0.00 C ATOM 1187 ND1 HIS A 73 97.175 2.421 -10.413 1.00 0.00 N ATOM 1188 CD2 HIS A 73 98.968 1.646 -11.429 1.00 0.00 C ATOM 1189 CE1 HIS A 73 97.655 1.367 -9.726 1.00 0.00 C ATOM 1190 NE2 HIS A 73 98.746 0.857 -10.302 1.00 0.00 N ATOM 0 H HIS A 73 100.109 3.020 -13.062 1.00 0.00 H new ATOM 0 HA HIS A 73 98.759 5.438 -13.315 1.00 0.00 H new ATOM 0 HB2 HIS A 73 96.830 4.241 -12.267 1.00 0.00 H new ATOM 0 HB3 HIS A 73 97.627 3.291 -13.505 1.00 0.00 H new ATOM 0 HD1 HIS A 73 96.353 2.974 -10.171 1.00 0.00 H new ATOM 0 HD2 HIS A 73 99.777 1.513 -12.132 1.00 0.00 H new ATOM 0 HE1 HIS A 73 97.212 0.981 -8.820 1.00 0.00 H new ATOM 1198 N ARG A 74 97.997 6.199 -10.836 1.00 0.00 N ATOM 1199 CA ARG A 74 98.031 6.945 -9.546 1.00 0.00 C ATOM 1200 C ARG A 74 97.146 6.240 -8.518 1.00 0.00 C ATOM 1201 O ARG A 74 96.118 5.679 -8.847 1.00 0.00 O ATOM 1202 CB ARG A 74 97.519 8.370 -9.766 1.00 0.00 C ATOM 1203 CG ARG A 74 98.531 9.152 -10.607 1.00 0.00 C ATOM 1204 CD ARG A 74 98.288 10.653 -10.435 1.00 0.00 C ATOM 1205 NE ARG A 74 97.163 11.079 -11.315 1.00 0.00 N ATOM 1206 CZ ARG A 74 96.296 11.956 -10.887 1.00 0.00 C ATOM 1207 NH1 ARG A 74 96.694 13.145 -10.526 1.00 0.00 N ATOM 1208 NH2 ARG A 74 95.032 11.642 -10.820 1.00 0.00 N ATOM 0 H ARG A 74 97.152 6.329 -11.392 1.00 0.00 H new ATOM 0 HA ARG A 74 99.056 6.978 -9.177 1.00 0.00 H new ATOM 0 HB2 ARG A 74 96.552 8.347 -10.269 1.00 0.00 H new ATOM 0 HB3 ARG A 74 97.367 8.865 -8.807 1.00 0.00 H new ATOM 0 HG2 ARG A 74 99.546 8.900 -10.300 1.00 0.00 H new ATOM 0 HG3 ARG A 74 98.437 8.876 -11.657 1.00 0.00 H new ATOM 0 HD2 ARG A 74 98.055 10.877 -9.394 1.00 0.00 H new ATOM 0 HD3 ARG A 74 99.191 11.209 -10.686 1.00 0.00 H new ATOM 0 HE ARG A 74 97.071 10.685 -12.251 1.00 0.00 H new ATOM 0 HH11 ARG A 74 97.683 13.389 -10.578 1.00 0.00 H new ATOM 0 HH12 ARG A 74 96.016 13.830 -10.192 1.00 0.00 H new ATOM 0 HH21 ARG A 74 94.722 10.712 -11.102 1.00 0.00 H new ATOM 0 HH22 ARG A 74 94.354 12.326 -10.486 1.00 0.00 H new ATOM 1222 N HIS A 75 97.538 6.261 -7.275 1.00 0.00 N ATOM 1223 CA HIS A 75 96.724 5.590 -6.221 1.00 0.00 C ATOM 1224 C HIS A 75 96.915 6.315 -4.893 1.00 0.00 C ATOM 1225 O HIS A 75 98.014 6.693 -4.535 1.00 0.00 O ATOM 1226 CB HIS A 75 97.166 4.129 -6.042 1.00 0.00 C ATOM 1227 CG HIS A 75 98.296 3.802 -6.977 1.00 0.00 C ATOM 1228 ND1 HIS A 75 98.135 3.766 -8.352 1.00 0.00 N ATOM 1229 CD2 HIS A 75 99.611 3.497 -6.746 1.00 0.00 C ATOM 1230 CE1 HIS A 75 99.328 3.452 -8.886 1.00 0.00 C ATOM 1231 NE2 HIS A 75 100.259 3.277 -7.952 1.00 0.00 N ATOM 0 H HIS A 75 98.389 6.715 -6.942 1.00 0.00 H new ATOM 0 HA HIS A 75 95.678 5.618 -6.527 1.00 0.00 H new ATOM 0 HB2 HIS A 75 97.479 3.961 -5.011 1.00 0.00 H new ATOM 0 HB3 HIS A 75 96.325 3.463 -6.232 1.00 0.00 H new ATOM 0 HD1 HIS A 75 97.271 3.945 -8.864 1.00 0.00 H new ATOM 0 HD2 HIS A 75 100.073 3.437 -5.772 1.00 0.00 H new ATOM 0 HE1 HIS A 75 99.509 3.354 -9.946 1.00 0.00 H new ATOM 1239 N ARG A 76 95.864 6.492 -4.148 1.00 0.00 N ATOM 1240 CA ARG A 76 96.002 7.169 -2.834 1.00 0.00 C ATOM 1241 C ARG A 76 96.586 6.166 -1.840 1.00 0.00 C ATOM 1242 O ARG A 76 96.343 4.980 -1.935 1.00 0.00 O ATOM 1243 CB ARG A 76 94.627 7.635 -2.347 1.00 0.00 C ATOM 1244 CG ARG A 76 94.226 8.909 -3.094 1.00 0.00 C ATOM 1245 CD ARG A 76 92.822 9.337 -2.660 1.00 0.00 C ATOM 1246 NE ARG A 76 91.812 8.459 -3.316 1.00 0.00 N ATOM 1247 CZ ARG A 76 90.658 8.951 -3.678 1.00 0.00 C ATOM 1248 NH1 ARG A 76 89.841 9.428 -2.779 1.00 0.00 N ATOM 1249 NH2 ARG A 76 90.323 8.966 -4.939 1.00 0.00 N ATOM 0 H ARG A 76 94.918 6.198 -4.391 1.00 0.00 H new ATOM 0 HA ARG A 76 96.656 8.037 -2.924 1.00 0.00 H new ATOM 0 HB2 ARG A 76 93.886 6.854 -2.515 1.00 0.00 H new ATOM 0 HB3 ARG A 76 94.654 7.823 -1.274 1.00 0.00 H new ATOM 0 HG2 ARG A 76 94.941 9.705 -2.886 1.00 0.00 H new ATOM 0 HG3 ARG A 76 94.248 8.734 -4.170 1.00 0.00 H new ATOM 0 HD2 ARG A 76 92.728 9.271 -1.576 1.00 0.00 H new ATOM 0 HD3 ARG A 76 92.647 10.378 -2.932 1.00 0.00 H new ATOM 0 HE ARG A 76 92.022 7.475 -3.482 1.00 0.00 H new ATOM 0 HH11 ARG A 76 90.104 9.416 -1.794 1.00 0.00 H new ATOM 0 HH12 ARG A 76 88.940 9.812 -3.062 1.00 0.00 H new ATOM 0 HH21 ARG A 76 90.962 8.594 -5.641 1.00 0.00 H new ATOM 0 HH22 ARG A 76 89.422 9.350 -5.223 1.00 0.00 H new ATOM 1263 N VAL A 77 97.357 6.617 -0.891 1.00 0.00 N ATOM 1264 CA VAL A 77 97.943 5.660 0.087 1.00 0.00 C ATOM 1265 C VAL A 77 96.824 4.803 0.685 1.00 0.00 C ATOM 1266 O VAL A 77 97.063 3.736 1.213 1.00 0.00 O ATOM 1267 CB VAL A 77 98.677 6.433 1.189 1.00 0.00 C ATOM 1268 CG1 VAL A 77 98.827 5.558 2.438 1.00 0.00 C ATOM 1269 CG2 VAL A 77 100.064 6.822 0.677 1.00 0.00 C ATOM 0 H VAL A 77 97.605 7.596 -0.751 1.00 0.00 H new ATOM 0 HA VAL A 77 98.659 5.009 -0.414 1.00 0.00 H new ATOM 0 HB VAL A 77 98.105 7.324 1.448 1.00 0.00 H new ATOM 0 HG11 VAL A 77 99.350 6.118 3.214 1.00 0.00 H new ATOM 0 HG12 VAL A 77 97.840 5.270 2.801 1.00 0.00 H new ATOM 0 HG13 VAL A 77 99.398 4.663 2.189 1.00 0.00 H new ATOM 0 HG21 VAL A 77 100.597 7.373 1.452 1.00 0.00 H new ATOM 0 HG22 VAL A 77 100.623 5.922 0.422 1.00 0.00 H new ATOM 0 HG23 VAL A 77 99.962 7.449 -0.209 1.00 0.00 H new ATOM 1279 N SER A 78 95.601 5.253 0.595 1.00 0.00 N ATOM 1280 CA SER A 78 94.474 4.452 1.144 1.00 0.00 C ATOM 1281 C SER A 78 94.251 3.230 0.249 1.00 0.00 C ATOM 1282 O SER A 78 94.063 2.126 0.721 1.00 0.00 O ATOM 1283 CB SER A 78 93.205 5.305 1.170 1.00 0.00 C ATOM 1284 OG SER A 78 93.521 6.602 1.658 1.00 0.00 O ATOM 0 H SER A 78 95.336 6.139 0.165 1.00 0.00 H new ATOM 0 HA SER A 78 94.710 4.129 2.158 1.00 0.00 H new ATOM 0 HB2 SER A 78 92.779 5.374 0.169 1.00 0.00 H new ATOM 0 HB3 SER A 78 92.452 4.838 1.805 1.00 0.00 H new ATOM 0 HG SER A 78 92.710 7.152 1.674 1.00 0.00 H new ATOM 1290 N ALA A 79 94.274 3.420 -1.044 1.00 0.00 N ATOM 1291 CA ALA A 79 94.071 2.275 -1.975 1.00 0.00 C ATOM 1292 C ALA A 79 95.226 1.283 -1.819 1.00 0.00 C ATOM 1293 O ALA A 79 95.021 0.101 -1.630 1.00 0.00 O ATOM 1294 CB ALA A 79 94.027 2.788 -3.416 1.00 0.00 C ATOM 0 H ALA A 79 94.425 4.322 -1.495 1.00 0.00 H new ATOM 0 HA ALA A 79 93.130 1.778 -1.741 1.00 0.00 H new ATOM 0 HB1 ALA A 79 93.878 1.949 -4.096 1.00 0.00 H new ATOM 0 HB2 ALA A 79 93.204 3.494 -3.526 1.00 0.00 H new ATOM 0 HB3 ALA A 79 94.967 3.286 -3.654 1.00 0.00 H new ATOM 1300 N ILE A 80 96.442 1.757 -1.886 1.00 0.00 N ATOM 1301 CA ILE A 80 97.605 0.843 -1.724 1.00 0.00 C ATOM 1302 C ILE A 80 97.553 0.249 -0.320 1.00 0.00 C ATOM 1303 O ILE A 80 97.987 -0.861 -0.082 1.00 0.00 O ATOM 1304 CB ILE A 80 98.909 1.627 -1.903 1.00 0.00 C ATOM 1305 CG1 ILE A 80 99.009 2.134 -3.346 1.00 0.00 C ATOM 1306 CG2 ILE A 80 100.104 0.719 -1.596 1.00 0.00 C ATOM 1307 CD1 ILE A 80 99.373 0.975 -4.277 1.00 0.00 C ATOM 0 H ILE A 80 96.678 2.736 -2.046 1.00 0.00 H new ATOM 0 HA ILE A 80 97.567 0.051 -2.471 1.00 0.00 H new ATOM 0 HB ILE A 80 98.915 2.475 -1.219 1.00 0.00 H new ATOM 0 HG12 ILE A 80 98.061 2.575 -3.653 1.00 0.00 H new ATOM 0 HG13 ILE A 80 99.763 2.918 -3.414 1.00 0.00 H new ATOM 0 HG21 ILE A 80 101.030 1.280 -1.724 1.00 0.00 H new ATOM 0 HG22 ILE A 80 100.035 0.362 -0.568 1.00 0.00 H new ATOM 0 HG23 ILE A 80 100.098 -0.132 -2.277 1.00 0.00 H new ATOM 0 HD11 ILE A 80 99.443 1.340 -5.302 1.00 0.00 H new ATOM 0 HD12 ILE A 80 100.332 0.553 -3.975 1.00 0.00 H new ATOM 0 HD13 ILE A 80 98.604 0.205 -4.218 1.00 0.00 H new ATOM 1319 N ASN A 81 97.007 0.982 0.612 1.00 0.00 N ATOM 1320 CA ASN A 81 96.903 0.468 2.004 1.00 0.00 C ATOM 1321 C ASN A 81 95.898 -0.682 2.023 1.00 0.00 C ATOM 1322 O ASN A 81 95.973 -1.574 2.841 1.00 0.00 O ATOM 1323 CB ASN A 81 96.421 1.587 2.931 1.00 0.00 C ATOM 1324 CG ASN A 81 96.070 1.002 4.299 1.00 0.00 C ATOM 1325 OD1 ASN A 81 96.928 0.851 5.147 1.00 0.00 O ATOM 1326 ND2 ASN A 81 94.836 0.663 4.554 1.00 0.00 N ATOM 0 H ASN A 81 96.628 1.918 0.467 1.00 0.00 H new ATOM 0 HA ASN A 81 97.877 0.119 2.347 1.00 0.00 H new ATOM 0 HB2 ASN A 81 97.197 2.345 3.036 1.00 0.00 H new ATOM 0 HB3 ASN A 81 95.550 2.080 2.500 1.00 0.00 H new ATOM 0 HD21 ASN A 81 94.592 0.272 5.464 1.00 0.00 H new ATOM 0 HD22 ASN A 81 94.115 0.789 3.843 1.00 0.00 H new ATOM 1333 N ASN A 82 94.961 -0.669 1.116 1.00 0.00 N ATOM 1334 CA ASN A 82 93.956 -1.764 1.069 1.00 0.00 C ATOM 1335 C ASN A 82 94.651 -3.057 0.647 1.00 0.00 C ATOM 1336 O ASN A 82 94.260 -4.140 1.036 1.00 0.00 O ATOM 1337 CB ASN A 82 92.866 -1.416 0.053 1.00 0.00 C ATOM 1338 CG ASN A 82 91.617 -0.932 0.792 1.00 0.00 C ATOM 1339 OD1 ASN A 82 90.531 -1.426 0.561 1.00 0.00 O ATOM 1340 ND2 ASN A 82 91.725 0.019 1.677 1.00 0.00 N ATOM 0 H ASN A 82 94.849 0.054 0.405 1.00 0.00 H new ATOM 0 HA ASN A 82 93.503 -1.891 2.052 1.00 0.00 H new ATOM 0 HB2 ASN A 82 93.222 -0.642 -0.628 1.00 0.00 H new ATOM 0 HB3 ASN A 82 92.627 -2.289 -0.554 1.00 0.00 H new ATOM 0 HD21 ASN A 82 90.898 0.348 2.175 1.00 0.00 H new ATOM 0 HD22 ASN A 82 92.636 0.434 1.871 1.00 0.00 H new ATOM 1347 N TYR A 83 95.684 -2.955 -0.146 1.00 0.00 N ATOM 1348 CA TYR A 83 96.405 -4.182 -0.586 1.00 0.00 C ATOM 1349 C TYR A 83 97.460 -4.556 0.457 1.00 0.00 C ATOM 1350 O TYR A 83 97.380 -5.589 1.090 1.00 0.00 O ATOM 1351 CB TYR A 83 97.090 -3.928 -1.930 1.00 0.00 C ATOM 1352 CG TYR A 83 97.844 -5.168 -2.344 1.00 0.00 C ATOM 1353 CD1 TYR A 83 97.203 -6.413 -2.335 1.00 0.00 C ATOM 1354 CD2 TYR A 83 99.185 -5.076 -2.732 1.00 0.00 C ATOM 1355 CE1 TYR A 83 97.901 -7.562 -2.714 1.00 0.00 C ATOM 1356 CE2 TYR A 83 99.883 -6.226 -3.111 1.00 0.00 C ATOM 1357 CZ TYR A 83 99.242 -7.471 -3.102 1.00 0.00 C ATOM 1358 OH TYR A 83 99.930 -8.607 -3.476 1.00 0.00 O ATOM 0 H TYR A 83 96.058 -2.077 -0.507 1.00 0.00 H new ATOM 0 HA TYR A 83 95.690 -4.998 -0.694 1.00 0.00 H new ATOM 0 HB2 TYR A 83 96.349 -3.669 -2.686 1.00 0.00 H new ATOM 0 HB3 TYR A 83 97.773 -3.082 -1.850 1.00 0.00 H new ATOM 0 HD1 TYR A 83 96.168 -6.485 -2.035 1.00 0.00 H new ATOM 0 HD2 TYR A 83 99.681 -4.117 -2.739 1.00 0.00 H new ATOM 0 HE1 TYR A 83 97.405 -8.521 -2.708 1.00 0.00 H new ATOM 0 HE2 TYR A 83 100.918 -6.154 -3.411 1.00 0.00 H new ATOM 0 HH TYR A 83 100.577 -8.842 -2.779 1.00 0.00 H new ATOM 1368 N ALA A 84 98.451 -3.726 0.642 1.00 0.00 N ATOM 1369 CA ALA A 84 99.506 -4.039 1.645 1.00 0.00 C ATOM 1370 C ALA A 84 98.847 -4.453 2.961 1.00 0.00 C ATOM 1371 O ALA A 84 99.276 -5.380 3.619 1.00 0.00 O ATOM 1372 CB ALA A 84 100.374 -2.801 1.877 1.00 0.00 C ATOM 0 H ALA A 84 98.575 -2.846 0.142 1.00 0.00 H new ATOM 0 HA ALA A 84 100.129 -4.854 1.276 1.00 0.00 H new ATOM 0 HB1 ALA A 84 101.146 -3.030 2.611 1.00 0.00 H new ATOM 0 HB2 ALA A 84 100.842 -2.504 0.939 1.00 0.00 H new ATOM 0 HB3 ALA A 84 99.753 -1.985 2.247 1.00 0.00 H new ATOM 1378 N GLN A 85 97.804 -3.774 3.346 1.00 0.00 N ATOM 1379 CA GLN A 85 97.111 -4.124 4.617 1.00 0.00 C ATOM 1380 C GLN A 85 96.474 -5.508 4.483 1.00 0.00 C ATOM 1381 O GLN A 85 96.463 -6.288 5.414 1.00 0.00 O ATOM 1382 CB GLN A 85 96.027 -3.086 4.914 1.00 0.00 C ATOM 1383 CG GLN A 85 95.511 -3.278 6.341 1.00 0.00 C ATOM 1384 CD GLN A 85 96.483 -2.624 7.326 1.00 0.00 C ATOM 1385 OE1 GLN A 85 96.484 -1.421 7.486 1.00 0.00 O ATOM 1386 NE2 GLN A 85 97.316 -3.373 7.995 1.00 0.00 N ATOM 0 H GLN A 85 97.400 -2.990 2.834 1.00 0.00 H new ATOM 0 HA GLN A 85 97.833 -4.133 5.434 1.00 0.00 H new ATOM 0 HB2 GLN A 85 96.430 -2.080 4.794 1.00 0.00 H new ATOM 0 HB3 GLN A 85 95.207 -3.188 4.203 1.00 0.00 H new ATOM 0 HG2 GLN A 85 94.520 -2.836 6.444 1.00 0.00 H new ATOM 0 HG3 GLN A 85 95.411 -4.340 6.563 1.00 0.00 H new ATOM 0 HE21 GLN A 85 97.314 -4.384 7.860 1.00 0.00 H new ATOM 0 HE22 GLN A 85 97.969 -2.948 8.653 1.00 0.00 H new ATOM 1395 N LYS A 86 95.955 -5.826 3.329 1.00 0.00 N ATOM 1396 CA LYS A 86 95.336 -7.166 3.140 1.00 0.00 C ATOM 1397 C LYS A 86 96.440 -8.222 3.181 1.00 0.00 C ATOM 1398 O LYS A 86 96.184 -9.405 3.284 1.00 0.00 O ATOM 1399 CB LYS A 86 94.628 -7.217 1.783 1.00 0.00 C ATOM 1400 CG LYS A 86 93.122 -7.044 1.985 1.00 0.00 C ATOM 1401 CD LYS A 86 92.371 -8.046 1.107 1.00 0.00 C ATOM 1402 CE LYS A 86 90.958 -8.252 1.658 1.00 0.00 C ATOM 1403 NZ LYS A 86 89.977 -7.548 0.785 1.00 0.00 N ATOM 0 H LYS A 86 95.933 -5.217 2.511 1.00 0.00 H new ATOM 0 HA LYS A 86 94.608 -7.356 3.929 1.00 0.00 H new ATOM 0 HB2 LYS A 86 95.011 -6.431 1.132 1.00 0.00 H new ATOM 0 HB3 LYS A 86 94.832 -8.167 1.290 1.00 0.00 H new ATOM 0 HG2 LYS A 86 92.865 -7.198 3.033 1.00 0.00 H new ATOM 0 HG3 LYS A 86 92.825 -6.027 1.730 1.00 0.00 H new ATOM 0 HD2 LYS A 86 92.323 -7.681 0.081 1.00 0.00 H new ATOM 0 HD3 LYS A 86 92.905 -8.996 1.083 1.00 0.00 H new ATOM 0 HE2 LYS A 86 90.725 -9.316 1.701 1.00 0.00 H new ATOM 0 HE3 LYS A 86 90.894 -7.870 2.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 89.017 -7.688 1.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 90.197 -6.532 0.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 90.032 -7.933 -0.180 1.00 0.00 H new ATOM 1417 N LEU A 87 97.671 -7.794 3.103 1.00 0.00 N ATOM 1418 CA LEU A 87 98.805 -8.754 3.137 1.00 0.00 C ATOM 1419 C LEU A 87 99.334 -8.859 4.569 1.00 0.00 C ATOM 1420 O LEU A 87 100.464 -9.243 4.798 1.00 0.00 O ATOM 1421 CB LEU A 87 99.914 -8.246 2.214 1.00 0.00 C ATOM 1422 CG LEU A 87 99.375 -8.151 0.784 1.00 0.00 C ATOM 1423 CD1 LEU A 87 99.910 -6.885 0.107 1.00 0.00 C ATOM 1424 CD2 LEU A 87 99.826 -9.379 -0.002 1.00 0.00 C ATOM 0 H LEU A 87 97.939 -6.814 3.017 1.00 0.00 H new ATOM 0 HA LEU A 87 98.473 -9.737 2.803 1.00 0.00 H new ATOM 0 HB2 LEU A 87 100.264 -7.270 2.549 1.00 0.00 H new ATOM 0 HB3 LEU A 87 100.770 -8.920 2.249 1.00 0.00 H new ATOM 0 HG LEU A 87 98.286 -8.107 0.809 1.00 0.00 H new ATOM 0 HD11 LEU A 87 99.522 -6.825 -0.910 1.00 0.00 H new ATOM 0 HD12 LEU A 87 99.590 -6.008 0.670 1.00 0.00 H new ATOM 0 HD13 LEU A 87 100.999 -6.920 0.078 1.00 0.00 H new ATOM 0 HD21 LEU A 87 99.446 -9.318 -1.022 1.00 0.00 H new ATOM 0 HD22 LEU A 87 100.915 -9.418 -0.023 1.00 0.00 H new ATOM 0 HD23 LEU A 87 99.440 -10.279 0.476 1.00 0.00 H new ATOM 1436 N CYS A 88 98.526 -8.519 5.536 1.00 0.00 N ATOM 1437 CA CYS A 88 98.984 -8.595 6.951 1.00 0.00 C ATOM 1438 C CYS A 88 98.396 -9.840 7.616 1.00 0.00 C ATOM 1439 O CYS A 88 98.189 -9.877 8.813 1.00 0.00 O ATOM 1440 CB CYS A 88 98.522 -7.346 7.705 1.00 0.00 C ATOM 1441 SG CYS A 88 96.724 -7.393 7.908 1.00 0.00 S ATOM 0 H CYS A 88 97.569 -8.192 5.407 1.00 0.00 H new ATOM 0 HA CYS A 88 100.072 -8.653 6.976 1.00 0.00 H new ATOM 0 HB2 CYS A 88 99.007 -7.296 8.680 1.00 0.00 H new ATOM 0 HB3 CYS A 88 98.813 -6.449 7.158 1.00 0.00 H new ATOM 0 HG CYS A 88 96.153 -7.009 6.805 1.00 0.00 H new ATOM 1447 N THR A 89 98.130 -10.863 6.852 1.00 0.00 N ATOM 1448 CA THR A 89 97.560 -12.105 7.444 1.00 0.00 C ATOM 1449 C THR A 89 98.690 -13.097 7.728 1.00 0.00 C ATOM 1450 O THR A 89 98.457 -14.259 7.996 1.00 0.00 O ATOM 1451 CB THR A 89 96.565 -12.729 6.463 1.00 0.00 C ATOM 1452 OG1 THR A 89 96.680 -12.085 5.201 1.00 0.00 O ATOM 1453 CG2 THR A 89 95.144 -12.556 6.998 1.00 0.00 C ATOM 0 H THR A 89 98.283 -10.892 5.844 1.00 0.00 H new ATOM 0 HA THR A 89 97.046 -11.863 8.374 1.00 0.00 H new ATOM 0 HB THR A 89 96.782 -13.791 6.350 1.00 0.00 H new ATOM 0 HG1 THR A 89 97.554 -12.289 4.808 1.00 0.00 H new ATOM 0 HG21 THR A 89 94.435 -13.001 6.299 1.00 0.00 H new ATOM 0 HG22 THR A 89 95.057 -13.050 7.966 1.00 0.00 H new ATOM 0 HG23 THR A 89 94.925 -11.494 7.111 1.00 0.00 H new ATOM 1461 N PHE A 90 99.912 -12.645 7.670 1.00 0.00 N ATOM 1462 CA PHE A 90 101.061 -13.559 7.937 1.00 0.00 C ATOM 1463 C PHE A 90 102.077 -12.848 8.837 1.00 0.00 C ATOM 1464 O PHE A 90 103.152 -13.353 9.091 1.00 0.00 O ATOM 1465 CB PHE A 90 101.741 -13.958 6.616 1.00 0.00 C ATOM 1466 CG PHE A 90 101.268 -13.066 5.488 1.00 0.00 C ATOM 1467 CD1 PHE A 90 99.940 -13.138 5.049 1.00 0.00 C ATOM 1468 CD2 PHE A 90 102.158 -12.168 4.885 1.00 0.00 C ATOM 1469 CE1 PHE A 90 99.502 -12.312 4.006 1.00 0.00 C ATOM 1470 CE2 PHE A 90 101.718 -11.343 3.842 1.00 0.00 C ATOM 1471 CZ PHE A 90 100.391 -11.415 3.404 1.00 0.00 C ATOM 0 H PHE A 90 100.166 -11.682 7.449 1.00 0.00 H new ATOM 0 HA PHE A 90 100.693 -14.457 8.432 1.00 0.00 H new ATOM 0 HB2 PHE A 90 102.823 -13.881 6.719 1.00 0.00 H new ATOM 0 HB3 PHE A 90 101.516 -14.999 6.384 1.00 0.00 H new ATOM 0 HD1 PHE A 90 99.254 -13.830 5.514 1.00 0.00 H new ATOM 0 HD2 PHE A 90 103.182 -12.112 5.224 1.00 0.00 H new ATOM 0 HE1 PHE A 90 98.478 -12.368 3.667 1.00 0.00 H new ATOM 0 HE2 PHE A 90 102.403 -10.651 3.376 1.00 0.00 H new ATOM 0 HZ PHE A 90 100.053 -10.778 2.600 1.00 0.00 H new ATOM 1481 N SER A 91 101.740 -11.681 9.320 1.00 0.00 N ATOM 1482 CA SER A 91 102.677 -10.930 10.205 1.00 0.00 C ATOM 1483 C SER A 91 102.266 -9.456 10.229 1.00 0.00 C ATOM 1484 O SER A 91 101.330 -9.054 9.566 1.00 0.00 O ATOM 1485 CB SER A 91 104.103 -11.050 9.667 1.00 0.00 C ATOM 1486 OG SER A 91 104.844 -11.935 10.498 1.00 0.00 O ATOM 0 H SER A 91 100.852 -11.214 9.138 1.00 0.00 H new ATOM 0 HA SER A 91 102.638 -11.343 11.213 1.00 0.00 H new ATOM 0 HB2 SER A 91 104.088 -11.422 8.642 1.00 0.00 H new ATOM 0 HB3 SER A 91 104.579 -10.070 9.644 1.00 0.00 H new ATOM 0 HG SER A 91 104.555 -12.857 10.334 1.00 0.00 H new ATOM 1492 N PHE A 92 102.957 -8.644 10.981 1.00 0.00 N ATOM 1493 CA PHE A 92 102.596 -7.200 11.031 1.00 0.00 C ATOM 1494 C PHE A 92 102.787 -6.588 9.639 1.00 0.00 C ATOM 1495 O PHE A 92 103.270 -7.233 8.730 1.00 0.00 O ATOM 1496 CB PHE A 92 103.490 -6.479 12.053 1.00 0.00 C ATOM 1497 CG PHE A 92 104.826 -6.140 11.430 1.00 0.00 C ATOM 1498 CD1 PHE A 92 105.849 -7.095 11.395 1.00 0.00 C ATOM 1499 CD2 PHE A 92 105.041 -4.867 10.886 1.00 0.00 C ATOM 1500 CE1 PHE A 92 107.081 -6.777 10.817 1.00 0.00 C ATOM 1501 CE2 PHE A 92 106.274 -4.551 10.308 1.00 0.00 C ATOM 1502 CZ PHE A 92 107.295 -5.506 10.273 1.00 0.00 C ATOM 0 H PHE A 92 103.752 -8.916 11.560 1.00 0.00 H new ATOM 0 HA PHE A 92 101.555 -7.089 11.335 1.00 0.00 H new ATOM 0 HB2 PHE A 92 103.000 -5.569 12.398 1.00 0.00 H new ATOM 0 HB3 PHE A 92 103.638 -7.112 12.928 1.00 0.00 H new ATOM 0 HD1 PHE A 92 105.686 -8.077 11.814 1.00 0.00 H new ATOM 0 HD2 PHE A 92 104.253 -4.129 10.913 1.00 0.00 H new ATOM 0 HE1 PHE A 92 107.870 -7.514 10.790 1.00 0.00 H new ATOM 0 HE2 PHE A 92 106.438 -3.569 9.889 1.00 0.00 H new ATOM 0 HZ PHE A 92 108.248 -5.263 9.826 1.00 0.00 H new ATOM 1512 N LEU A 93 102.418 -5.350 9.465 1.00 0.00 N ATOM 1513 CA LEU A 93 102.590 -4.709 8.133 1.00 0.00 C ATOM 1514 C LEU A 93 102.576 -3.189 8.289 1.00 0.00 C ATOM 1515 O LEU A 93 101.657 -2.619 8.843 1.00 0.00 O ATOM 1516 CB LEU A 93 101.451 -5.136 7.205 1.00 0.00 C ATOM 1517 CG LEU A 93 101.659 -4.506 5.827 1.00 0.00 C ATOM 1518 CD1 LEU A 93 101.579 -5.589 4.750 1.00 0.00 C ATOM 1519 CD2 LEU A 93 100.570 -3.461 5.581 1.00 0.00 C ATOM 0 H LEU A 93 102.006 -4.756 10.185 1.00 0.00 H new ATOM 0 HA LEU A 93 103.543 -5.021 7.705 1.00 0.00 H new ATOM 0 HB2 LEU A 93 101.423 -6.222 7.120 1.00 0.00 H new ATOM 0 HB3 LEU A 93 100.492 -4.824 7.619 1.00 0.00 H new ATOM 0 HG LEU A 93 102.639 -4.031 5.788 1.00 0.00 H new ATOM 0 HD11 LEU A 93 101.727 -5.138 3.769 1.00 0.00 H new ATOM 0 HD12 LEU A 93 102.353 -6.336 4.927 1.00 0.00 H new ATOM 0 HD13 LEU A 93 100.600 -6.066 4.786 1.00 0.00 H new ATOM 0 HD21 LEU A 93 100.714 -3.009 4.600 1.00 0.00 H new ATOM 0 HD22 LEU A 93 99.591 -3.939 5.620 1.00 0.00 H new ATOM 0 HD23 LEU A 93 100.627 -2.689 6.348 1.00 0.00 H new ATOM 1531 N ILE A 94 103.588 -2.528 7.802 1.00 0.00 N ATOM 1532 CA ILE A 94 103.635 -1.045 7.920 1.00 0.00 C ATOM 1533 C ILE A 94 103.844 -0.435 6.532 1.00 0.00 C ATOM 1534 O ILE A 94 104.917 0.025 6.199 1.00 0.00 O ATOM 1535 CB ILE A 94 104.789 -0.646 8.841 1.00 0.00 C ATOM 1536 CG1 ILE A 94 104.503 -1.153 10.256 1.00 0.00 C ATOM 1537 CG2 ILE A 94 104.925 0.878 8.865 1.00 0.00 C ATOM 1538 CD1 ILE A 94 105.813 -1.585 10.919 1.00 0.00 C ATOM 0 H ILE A 94 104.385 -2.951 7.327 1.00 0.00 H new ATOM 0 HA ILE A 94 102.698 -0.678 8.339 1.00 0.00 H new ATOM 0 HB ILE A 94 105.716 -1.085 8.473 1.00 0.00 H new ATOM 0 HG12 ILE A 94 104.026 -0.369 10.845 1.00 0.00 H new ATOM 0 HG13 ILE A 94 103.808 -1.992 10.219 1.00 0.00 H new ATOM 0 HG21 ILE A 94 105.748 1.160 9.522 1.00 0.00 H new ATOM 0 HG22 ILE A 94 105.125 1.241 7.857 1.00 0.00 H new ATOM 0 HG23 ILE A 94 103.999 1.320 9.233 1.00 0.00 H new ATOM 0 HD11 ILE A 94 105.609 -1.946 11.927 1.00 0.00 H new ATOM 0 HD12 ILE A 94 106.271 -2.382 10.334 1.00 0.00 H new ATOM 0 HD13 ILE A 94 106.493 -0.735 10.969 1.00 0.00 H new ATOM 1550 N CYS A 95 102.822 -0.430 5.719 1.00 0.00 N ATOM 1551 CA CYS A 95 102.960 0.150 4.355 1.00 0.00 C ATOM 1552 C CYS A 95 102.847 1.673 4.438 1.00 0.00 C ATOM 1553 O CYS A 95 102.127 2.207 5.260 1.00 0.00 O ATOM 1554 CB CYS A 95 101.850 -0.398 3.454 1.00 0.00 C ATOM 1555 SG CYS A 95 101.841 0.510 1.887 1.00 0.00 S ATOM 0 H CYS A 95 101.899 -0.802 5.942 1.00 0.00 H new ATOM 0 HA CYS A 95 103.931 -0.120 3.939 1.00 0.00 H new ATOM 0 HB2 CYS A 95 102.008 -1.461 3.270 1.00 0.00 H new ATOM 0 HB3 CYS A 95 100.884 -0.300 3.949 1.00 0.00 H new ATOM 0 HG CYS A 95 100.613 0.724 1.517 1.00 0.00 H new ATOM 1561 N LYS A 96 103.551 2.378 3.597 1.00 0.00 N ATOM 1562 CA LYS A 96 103.482 3.867 3.634 1.00 0.00 C ATOM 1563 C LYS A 96 103.859 4.430 2.261 1.00 0.00 C ATOM 1564 O LYS A 96 104.427 3.746 1.434 1.00 0.00 O ATOM 1565 CB LYS A 96 104.457 4.395 4.688 1.00 0.00 C ATOM 1566 CG LYS A 96 103.800 4.331 6.070 1.00 0.00 C ATOM 1567 CD LYS A 96 104.565 5.233 7.040 1.00 0.00 C ATOM 1568 CE LYS A 96 103.586 5.871 8.026 1.00 0.00 C ATOM 1569 NZ LYS A 96 102.974 4.809 8.876 1.00 0.00 N ATOM 0 H LYS A 96 104.171 1.989 2.886 1.00 0.00 H new ATOM 0 HA LYS A 96 102.469 4.178 3.887 1.00 0.00 H new ATOM 0 HB2 LYS A 96 105.372 3.803 4.681 1.00 0.00 H new ATOM 0 HB3 LYS A 96 104.740 5.422 4.455 1.00 0.00 H new ATOM 0 HG2 LYS A 96 102.759 4.649 6.005 1.00 0.00 H new ATOM 0 HG3 LYS A 96 103.798 3.304 6.436 1.00 0.00 H new ATOM 0 HD2 LYS A 96 105.314 4.652 7.579 1.00 0.00 H new ATOM 0 HD3 LYS A 96 105.098 6.007 6.489 1.00 0.00 H new ATOM 0 HE2 LYS A 96 104.105 6.598 8.651 1.00 0.00 H new ATOM 0 HE3 LYS A 96 102.809 6.412 7.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 102.428 5.250 9.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 102.343 4.221 8.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 103.724 4.215 9.283 1.00 0.00 H new ATOM 1583 N GLY A 97 103.549 5.673 2.014 1.00 0.00 N ATOM 1584 CA GLY A 97 103.891 6.278 0.695 1.00 0.00 C ATOM 1585 C GLY A 97 105.279 6.916 0.773 1.00 0.00 C ATOM 1586 O GLY A 97 105.902 6.942 1.815 1.00 0.00 O ATOM 0 H GLY A 97 103.074 6.296 2.668 1.00 0.00 H new ATOM 0 HA2 GLY A 97 103.873 5.515 -0.083 1.00 0.00 H new ATOM 0 HA3 GLY A 97 103.149 7.028 0.423 1.00 0.00 H new ATOM 1590 N VAL A 98 105.772 7.430 -0.322 1.00 0.00 N ATOM 1591 CA VAL A 98 107.123 8.061 -0.299 1.00 0.00 C ATOM 1592 C VAL A 98 107.069 9.428 -0.982 1.00 0.00 C ATOM 1593 O VAL A 98 106.577 9.564 -2.084 1.00 0.00 O ATOM 1594 CB VAL A 98 108.120 7.170 -1.041 1.00 0.00 C ATOM 1595 CG1 VAL A 98 109.538 7.474 -0.555 1.00 0.00 C ATOM 1596 CG2 VAL A 98 107.793 5.700 -0.771 1.00 0.00 C ATOM 0 H VAL A 98 105.301 7.440 -1.227 1.00 0.00 H new ATOM 0 HA VAL A 98 107.439 8.183 0.737 1.00 0.00 H new ATOM 0 HB VAL A 98 108.053 7.366 -2.111 1.00 0.00 H new ATOM 0 HG11 VAL A 98 110.248 6.839 -1.084 1.00 0.00 H new ATOM 0 HG12 VAL A 98 109.773 8.521 -0.749 1.00 0.00 H new ATOM 0 HG13 VAL A 98 109.605 7.280 0.515 1.00 0.00 H new ATOM 0 HG21 VAL A 98 108.504 5.066 -1.300 1.00 0.00 H new ATOM 0 HG22 VAL A 98 107.858 5.503 0.299 1.00 0.00 H new ATOM 0 HG23 VAL A 98 106.783 5.482 -1.119 1.00 0.00 H new ATOM 1606 N ASN A 99 107.587 10.442 -0.341 1.00 0.00 N ATOM 1607 CA ASN A 99 107.580 11.796 -0.959 1.00 0.00 C ATOM 1608 C ASN A 99 108.795 11.928 -1.878 1.00 0.00 C ATOM 1609 O ASN A 99 108.743 12.566 -2.910 1.00 0.00 O ATOM 1610 CB ASN A 99 107.653 12.860 0.139 1.00 0.00 C ATOM 1611 CG ASN A 99 106.316 13.599 0.223 1.00 0.00 C ATOM 1612 OD1 ASN A 99 106.015 14.429 -0.611 1.00 0.00 O ATOM 1613 ND2 ASN A 99 105.498 13.331 1.202 1.00 0.00 N ATOM 0 H ASN A 99 108.014 10.389 0.584 1.00 0.00 H new ATOM 0 HA ASN A 99 106.664 11.935 -1.534 1.00 0.00 H new ATOM 0 HB2 ASN A 99 107.884 12.394 1.097 1.00 0.00 H new ATOM 0 HB3 ASN A 99 108.457 13.564 -0.075 1.00 0.00 H new ATOM 0 HD21 ASN A 99 104.604 13.818 1.268 1.00 0.00 H new ATOM 0 HD22 ASN A 99 105.751 12.634 1.902 1.00 0.00 H new ATOM 1620 N LYS A 100 109.889 11.318 -1.509 1.00 0.00 N ATOM 1621 CA LYS A 100 111.111 11.393 -2.357 1.00 0.00 C ATOM 1622 C LYS A 100 111.498 9.979 -2.800 1.00 0.00 C ATOM 1623 O LYS A 100 112.351 9.344 -2.214 1.00 0.00 O ATOM 1624 CB LYS A 100 112.258 12.007 -1.553 1.00 0.00 C ATOM 1625 CG LYS A 100 112.070 13.524 -1.464 1.00 0.00 C ATOM 1626 CD LYS A 100 113.337 14.161 -0.889 1.00 0.00 C ATOM 1627 CE LYS A 100 113.289 15.676 -1.095 1.00 0.00 C ATOM 1628 NZ LYS A 100 112.370 16.285 -0.092 1.00 0.00 N ATOM 0 H LYS A 100 109.988 10.770 -0.655 1.00 0.00 H new ATOM 0 HA LYS A 100 110.913 12.014 -3.231 1.00 0.00 H new ATOM 0 HB2 LYS A 100 112.286 11.575 -0.553 1.00 0.00 H new ATOM 0 HB3 LYS A 100 113.212 11.776 -2.027 1.00 0.00 H new ATOM 0 HG2 LYS A 100 111.860 13.934 -2.452 1.00 0.00 H new ATOM 0 HG3 LYS A 100 111.213 13.759 -0.833 1.00 0.00 H new ATOM 0 HD2 LYS A 100 113.422 13.931 0.173 1.00 0.00 H new ATOM 0 HD3 LYS A 100 114.219 13.745 -1.377 1.00 0.00 H new ATOM 0 HE2 LYS A 100 114.288 16.099 -0.993 1.00 0.00 H new ATOM 0 HE3 LYS A 100 112.947 15.906 -2.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 112.337 17.315 -0.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 111.416 15.889 -0.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 112.715 16.077 0.867 1.00 0.00 H new ATOM 1642 N GLU A 101 110.868 9.484 -3.829 1.00 0.00 N ATOM 1643 CA GLU A 101 111.179 8.112 -4.319 1.00 0.00 C ATOM 1644 C GLU A 101 112.691 7.872 -4.297 1.00 0.00 C ATOM 1645 O GLU A 101 113.218 7.251 -3.396 1.00 0.00 O ATOM 1646 CB GLU A 101 110.666 7.959 -5.755 1.00 0.00 C ATOM 1647 CG GLU A 101 110.673 9.316 -6.463 1.00 0.00 C ATOM 1648 CD GLU A 101 109.267 9.920 -6.426 1.00 0.00 C ATOM 1649 OE1 GLU A 101 108.478 9.481 -5.606 1.00 0.00 O ATOM 1650 OE2 GLU A 101 109.005 10.809 -7.217 1.00 0.00 O ATOM 0 H GLU A 101 110.145 9.975 -4.355 1.00 0.00 H new ATOM 0 HA GLU A 101 110.693 7.385 -3.669 1.00 0.00 H new ATOM 0 HB2 GLU A 101 111.292 7.253 -6.300 1.00 0.00 H new ATOM 0 HB3 GLU A 101 109.656 7.549 -5.747 1.00 0.00 H new ATOM 0 HG2 GLU A 101 111.381 9.987 -5.978 1.00 0.00 H new ATOM 0 HG3 GLU A 101 111.002 9.198 -7.495 1.00 0.00 H new ATOM 1657 N TYR A 102 113.380 8.344 -5.301 1.00 0.00 N ATOM 1658 CA TYR A 102 114.859 8.141 -5.383 1.00 0.00 C ATOM 1659 C TYR A 102 115.507 8.179 -3.996 1.00 0.00 C ATOM 1660 O TYR A 102 115.995 7.182 -3.510 1.00 0.00 O ATOM 1661 CB TYR A 102 115.478 9.245 -6.244 1.00 0.00 C ATOM 1662 CG TYR A 102 116.948 8.959 -6.441 1.00 0.00 C ATOM 1663 CD1 TYR A 102 117.875 9.301 -5.445 1.00 0.00 C ATOM 1664 CD2 TYR A 102 117.385 8.349 -7.624 1.00 0.00 C ATOM 1665 CE1 TYR A 102 119.237 9.032 -5.636 1.00 0.00 C ATOM 1666 CE2 TYR A 102 118.745 8.080 -7.813 1.00 0.00 C ATOM 1667 CZ TYR A 102 119.671 8.421 -6.820 1.00 0.00 C ATOM 1668 OH TYR A 102 121.013 8.156 -7.007 1.00 0.00 O ATOM 0 H TYR A 102 112.978 8.868 -6.078 1.00 0.00 H new ATOM 0 HA TYR A 102 115.039 7.161 -5.825 1.00 0.00 H new ATOM 0 HB2 TYR A 102 114.973 9.296 -7.209 1.00 0.00 H new ATOM 0 HB3 TYR A 102 115.346 10.214 -5.763 1.00 0.00 H new ATOM 0 HD1 TYR A 102 117.539 9.771 -4.532 1.00 0.00 H new ATOM 0 HD2 TYR A 102 116.671 8.086 -8.391 1.00 0.00 H new ATOM 0 HE1 TYR A 102 119.952 9.296 -4.871 1.00 0.00 H new ATOM 0 HE2 TYR A 102 119.080 7.609 -8.725 1.00 0.00 H new ATOM 0 HH TYR A 102 121.144 7.730 -7.880 1.00 0.00 H new ATOM 1678 N LEU A 103 115.545 9.326 -3.372 1.00 0.00 N ATOM 1679 CA LEU A 103 116.197 9.435 -2.031 1.00 0.00 C ATOM 1680 C LEU A 103 115.896 8.203 -1.175 1.00 0.00 C ATOM 1681 O LEU A 103 116.769 7.398 -0.916 1.00 0.00 O ATOM 1682 CB LEU A 103 115.687 10.683 -1.310 1.00 0.00 C ATOM 1683 CG LEU A 103 116.831 11.680 -1.101 1.00 0.00 C ATOM 1684 CD1 LEU A 103 116.414 12.715 -0.057 1.00 0.00 C ATOM 1685 CD2 LEU A 103 118.085 10.950 -0.613 1.00 0.00 C ATOM 0 H LEU A 103 115.152 10.195 -3.733 1.00 0.00 H new ATOM 0 HA LEU A 103 117.274 9.504 -2.181 1.00 0.00 H new ATOM 0 HB2 LEU A 103 114.892 11.148 -1.892 1.00 0.00 H new ATOM 0 HB3 LEU A 103 115.257 10.405 -0.348 1.00 0.00 H new ATOM 0 HG LEU A 103 117.050 12.173 -2.048 1.00 0.00 H new ATOM 0 HD11 LEU A 103 117.226 13.426 0.095 1.00 0.00 H new ATOM 0 HD12 LEU A 103 115.527 13.245 -0.404 1.00 0.00 H new ATOM 0 HD13 LEU A 103 116.191 12.213 0.884 1.00 0.00 H new ATOM 0 HD21 LEU A 103 118.891 11.669 -0.468 1.00 0.00 H new ATOM 0 HD22 LEU A 103 117.871 10.450 0.331 1.00 0.00 H new ATOM 0 HD23 LEU A 103 118.387 10.211 -1.355 1.00 0.00 H new ATOM 1697 N MET A 104 114.677 8.063 -0.716 1.00 0.00 N ATOM 1698 CA MET A 104 114.319 6.893 0.144 1.00 0.00 C ATOM 1699 C MET A 104 115.071 5.646 -0.322 1.00 0.00 C ATOM 1700 O MET A 104 115.567 4.874 0.475 1.00 0.00 O ATOM 1701 CB MET A 104 112.815 6.634 0.055 1.00 0.00 C ATOM 1702 CG MET A 104 112.390 5.711 1.198 1.00 0.00 C ATOM 1703 SD MET A 104 111.238 6.587 2.284 1.00 0.00 S ATOM 1704 CE MET A 104 110.584 5.132 3.136 1.00 0.00 C ATOM 0 H MET A 104 113.912 8.711 -0.901 1.00 0.00 H new ATOM 0 HA MET A 104 114.596 7.116 1.174 1.00 0.00 H new ATOM 0 HB2 MET A 104 112.269 7.576 0.111 1.00 0.00 H new ATOM 0 HB3 MET A 104 112.569 6.179 -0.905 1.00 0.00 H new ATOM 0 HG2 MET A 104 111.919 4.813 0.798 1.00 0.00 H new ATOM 0 HG3 MET A 104 113.264 5.388 1.763 1.00 0.00 H new ATOM 0 HE1 MET A 104 109.501 5.096 3.016 1.00 0.00 H new ATOM 0 HE2 MET A 104 111.026 4.231 2.710 1.00 0.00 H new ATOM 0 HE3 MET A 104 110.830 5.190 4.196 1.00 0.00 H new ATOM 1714 N TYR A 105 115.164 5.446 -1.606 1.00 0.00 N ATOM 1715 CA TYR A 105 115.888 4.252 -2.122 1.00 0.00 C ATOM 1716 C TYR A 105 117.371 4.357 -1.756 1.00 0.00 C ATOM 1717 O TYR A 105 117.949 3.443 -1.205 1.00 0.00 O ATOM 1718 CB TYR A 105 115.734 4.183 -3.645 1.00 0.00 C ATOM 1719 CG TYR A 105 116.764 3.234 -4.213 1.00 0.00 C ATOM 1720 CD1 TYR A 105 118.066 3.684 -4.461 1.00 0.00 C ATOM 1721 CD2 TYR A 105 116.421 1.904 -4.483 1.00 0.00 C ATOM 1722 CE1 TYR A 105 119.024 2.808 -4.976 1.00 0.00 C ATOM 1723 CE2 TYR A 105 117.381 1.028 -5.002 1.00 0.00 C ATOM 1724 CZ TYR A 105 118.682 1.479 -5.247 1.00 0.00 C ATOM 1725 OH TYR A 105 119.629 0.612 -5.753 1.00 0.00 O ATOM 0 H TYR A 105 114.770 6.058 -2.321 1.00 0.00 H new ATOM 0 HA TYR A 105 115.471 3.349 -1.676 1.00 0.00 H new ATOM 0 HB2 TYR A 105 114.731 3.846 -3.905 1.00 0.00 H new ATOM 0 HB3 TYR A 105 115.859 5.175 -4.079 1.00 0.00 H new ATOM 0 HD1 TYR A 105 118.330 4.710 -4.254 1.00 0.00 H new ATOM 0 HD2 TYR A 105 115.417 1.555 -4.291 1.00 0.00 H new ATOM 0 HE1 TYR A 105 120.029 3.157 -5.165 1.00 0.00 H new ATOM 0 HE2 TYR A 105 117.117 0.002 -5.214 1.00 0.00 H new ATOM 0 HH TYR A 105 119.197 -0.227 -6.017 1.00 0.00 H new ATOM 1735 N SER A 106 117.995 5.462 -2.062 1.00 0.00 N ATOM 1736 CA SER A 106 119.438 5.617 -1.732 1.00 0.00 C ATOM 1737 C SER A 106 119.646 5.347 -0.240 1.00 0.00 C ATOM 1738 O SER A 106 120.387 4.464 0.143 1.00 0.00 O ATOM 1739 CB SER A 106 119.888 7.040 -2.063 1.00 0.00 C ATOM 1740 OG SER A 106 121.266 7.184 -1.744 1.00 0.00 O ATOM 0 H SER A 106 117.567 6.263 -2.526 1.00 0.00 H new ATOM 0 HA SER A 106 120.025 4.909 -2.316 1.00 0.00 H new ATOM 0 HB2 SER A 106 119.724 7.249 -3.120 1.00 0.00 H new ATOM 0 HB3 SER A 106 119.295 7.761 -1.500 1.00 0.00 H new ATOM 0 HG SER A 106 121.558 8.095 -1.957 1.00 0.00 H new ATOM 1746 N ALA A 107 118.995 6.099 0.604 1.00 0.00 N ATOM 1747 CA ALA A 107 119.154 5.882 2.070 1.00 0.00 C ATOM 1748 C ALA A 107 118.807 4.430 2.407 1.00 0.00 C ATOM 1749 O ALA A 107 119.196 3.908 3.433 1.00 0.00 O ATOM 1750 CB ALA A 107 118.214 6.822 2.830 1.00 0.00 C ATOM 0 H ALA A 107 118.360 6.854 0.343 1.00 0.00 H new ATOM 0 HA ALA A 107 120.184 6.088 2.360 1.00 0.00 H new ATOM 0 HB1 ALA A 107 118.330 6.664 3.902 1.00 0.00 H new ATOM 0 HB2 ALA A 107 118.459 7.856 2.587 1.00 0.00 H new ATOM 0 HB3 ALA A 107 117.183 6.616 2.542 1.00 0.00 H new ATOM 1756 N LEU A 108 118.072 3.776 1.549 1.00 0.00 N ATOM 1757 CA LEU A 108 117.692 2.359 1.814 1.00 0.00 C ATOM 1758 C LEU A 108 118.861 1.429 1.470 1.00 0.00 C ATOM 1759 O LEU A 108 119.065 0.415 2.107 1.00 0.00 O ATOM 1760 CB LEU A 108 116.483 1.994 0.949 1.00 0.00 C ATOM 1761 CG LEU A 108 115.193 2.318 1.705 1.00 0.00 C ATOM 1762 CD1 LEU A 108 113.991 1.933 0.843 1.00 0.00 C ATOM 1763 CD2 LEU A 108 115.155 1.529 3.015 1.00 0.00 C ATOM 0 H LEU A 108 117.718 4.163 0.674 1.00 0.00 H new ATOM 0 HA LEU A 108 117.444 2.244 2.869 1.00 0.00 H new ATOM 0 HB2 LEU A 108 116.515 2.547 0.010 1.00 0.00 H new ATOM 0 HB3 LEU A 108 116.511 0.934 0.696 1.00 0.00 H new ATOM 0 HG LEU A 108 115.158 3.385 1.925 1.00 0.00 H new ATOM 0 HD11 LEU A 108 113.070 2.163 1.379 1.00 0.00 H new ATOM 0 HD12 LEU A 108 114.017 2.496 -0.090 1.00 0.00 H new ATOM 0 HD13 LEU A 108 114.027 0.866 0.624 1.00 0.00 H new ATOM 0 HD21 LEU A 108 114.236 1.761 3.553 1.00 0.00 H new ATOM 0 HD22 LEU A 108 115.189 0.461 2.798 1.00 0.00 H new ATOM 0 HD23 LEU A 108 116.013 1.802 3.629 1.00 0.00 H new ATOM 1775 N THR A 109 119.627 1.760 0.466 1.00 0.00 N ATOM 1776 CA THR A 109 120.775 0.887 0.084 1.00 0.00 C ATOM 1777 C THR A 109 122.014 1.282 0.890 1.00 0.00 C ATOM 1778 O THR A 109 122.977 0.545 0.965 1.00 0.00 O ATOM 1779 CB THR A 109 121.068 1.050 -1.410 1.00 0.00 C ATOM 1780 OG1 THR A 109 121.743 2.282 -1.625 1.00 0.00 O ATOM 1781 CG2 THR A 109 119.756 1.039 -2.194 1.00 0.00 C ATOM 0 H THR A 109 119.508 2.596 -0.106 1.00 0.00 H new ATOM 0 HA THR A 109 120.522 -0.152 0.295 1.00 0.00 H new ATOM 0 HB THR A 109 121.696 0.227 -1.750 1.00 0.00 H new ATOM 0 HG1 THR A 109 121.329 2.982 -1.078 1.00 0.00 H new ATOM 0 HG21 THR A 109 119.966 1.155 -3.257 1.00 0.00 H new ATOM 0 HG22 THR A 109 119.240 0.093 -2.027 1.00 0.00 H new ATOM 0 HG23 THR A 109 119.124 1.861 -1.857 1.00 0.00 H new ATOM 1789 N ARG A 110 122.000 2.440 1.491 1.00 0.00 N ATOM 1790 CA ARG A 110 123.179 2.878 2.288 1.00 0.00 C ATOM 1791 C ARG A 110 123.030 2.392 3.730 1.00 0.00 C ATOM 1792 O ARG A 110 121.955 2.420 4.297 1.00 0.00 O ATOM 1793 CB ARG A 110 123.271 4.406 2.271 1.00 0.00 C ATOM 1794 CG ARG A 110 124.742 4.827 2.310 1.00 0.00 C ATOM 1795 CD ARG A 110 124.852 6.332 2.052 1.00 0.00 C ATOM 1796 NE ARG A 110 125.760 6.573 0.895 1.00 0.00 N ATOM 1797 CZ ARG A 110 126.839 7.289 1.050 1.00 0.00 C ATOM 1798 NH1 ARG A 110 127.590 7.119 2.105 1.00 0.00 N ATOM 1799 NH2 ARG A 110 127.168 8.176 0.150 1.00 0.00 N ATOM 0 H ARG A 110 121.224 3.101 1.464 1.00 0.00 H new ATOM 0 HA ARG A 110 124.086 2.456 1.854 1.00 0.00 H new ATOM 0 HB2 ARG A 110 122.792 4.800 1.375 1.00 0.00 H new ATOM 0 HB3 ARG A 110 122.739 4.823 3.126 1.00 0.00 H new ATOM 0 HG2 ARG A 110 125.176 4.581 3.279 1.00 0.00 H new ATOM 0 HG3 ARG A 110 125.308 4.277 1.559 1.00 0.00 H new ATOM 0 HD2 ARG A 110 123.866 6.750 1.847 1.00 0.00 H new ATOM 0 HD3 ARG A 110 125.234 6.837 2.939 1.00 0.00 H new ATOM 0 HE ARG A 110 125.537 6.178 -0.019 1.00 0.00 H new ATOM 0 HH11 ARG A 110 127.333 6.426 2.808 1.00 0.00 H new ATOM 0 HH12 ARG A 110 128.434 7.679 2.226 1.00 0.00 H new ATOM 0 HH21 ARG A 110 126.581 8.309 -0.674 1.00 0.00 H new ATOM 0 HH22 ARG A 110 128.012 8.736 0.271 1.00 0.00 H new ATOM 1813 N ASP A 111 124.100 1.946 4.328 1.00 0.00 N ATOM 1814 CA ASP A 111 124.020 1.458 5.733 1.00 0.00 C ATOM 1815 C ASP A 111 123.253 2.474 6.585 1.00 0.00 C ATOM 1816 O ASP A 111 123.260 3.654 6.293 1.00 0.00 O ATOM 1817 CB ASP A 111 125.434 1.288 6.293 1.00 0.00 C ATOM 1818 CG ASP A 111 125.900 -0.153 6.073 1.00 0.00 C ATOM 1819 OD1 ASP A 111 125.164 -1.055 6.436 1.00 0.00 O ATOM 1820 OD2 ASP A 111 126.986 -0.328 5.546 1.00 0.00 O ATOM 0 H ASP A 111 125.027 1.898 3.904 1.00 0.00 H new ATOM 0 HA ASP A 111 123.501 0.500 5.756 1.00 0.00 H new ATOM 0 HB2 ASP A 111 126.117 1.981 5.802 1.00 0.00 H new ATOM 0 HB3 ASP A 111 125.447 1.527 7.356 1.00 0.00 H new ATOM 1825 N PRO A 112 122.617 1.982 7.617 1.00 0.00 N ATOM 1826 CA PRO A 112 122.618 0.546 7.958 1.00 0.00 C ATOM 1827 C PRO A 112 121.632 -0.217 7.067 1.00 0.00 C ATOM 1828 O PRO A 112 121.487 -1.418 7.176 1.00 0.00 O ATOM 1829 CB PRO A 112 122.159 0.527 9.418 1.00 0.00 C ATOM 1830 CG PRO A 112 121.388 1.848 9.651 1.00 0.00 C ATOM 1831 CD PRO A 112 121.837 2.823 8.545 1.00 0.00 C ATOM 0 HA PRO A 112 123.588 0.071 7.813 1.00 0.00 H new ATOM 0 HB2 PRO A 112 121.521 -0.335 9.613 1.00 0.00 H new ATOM 0 HB3 PRO A 112 123.012 0.451 10.092 1.00 0.00 H new ATOM 0 HG2 PRO A 112 120.312 1.681 9.606 1.00 0.00 H new ATOM 0 HG3 PRO A 112 121.607 2.255 10.638 1.00 0.00 H new ATOM 0 HD2 PRO A 112 120.983 3.280 8.046 1.00 0.00 H new ATOM 0 HD3 PRO A 112 122.441 3.635 8.951 1.00 0.00 H new ATOM 1839 N PHE A 113 120.953 0.470 6.190 1.00 0.00 N ATOM 1840 CA PHE A 113 119.977 -0.218 5.298 1.00 0.00 C ATOM 1841 C PHE A 113 120.719 -0.891 4.143 1.00 0.00 C ATOM 1842 O PHE A 113 121.170 -0.243 3.218 1.00 0.00 O ATOM 1843 CB PHE A 113 118.985 0.808 4.743 1.00 0.00 C ATOM 1844 CG PHE A 113 118.198 1.430 5.876 1.00 0.00 C ATOM 1845 CD1 PHE A 113 118.053 0.749 7.091 1.00 0.00 C ATOM 1846 CD2 PHE A 113 117.609 2.690 5.710 1.00 0.00 C ATOM 1847 CE1 PHE A 113 117.324 1.322 8.134 1.00 0.00 C ATOM 1848 CE2 PHE A 113 116.879 3.265 6.755 1.00 0.00 C ATOM 1849 CZ PHE A 113 116.735 2.581 7.968 1.00 0.00 C ATOM 0 H PHE A 113 121.032 1.478 6.052 1.00 0.00 H new ATOM 0 HA PHE A 113 119.438 -0.975 5.867 1.00 0.00 H new ATOM 0 HB2 PHE A 113 119.519 1.582 4.192 1.00 0.00 H new ATOM 0 HB3 PHE A 113 118.306 0.326 4.039 1.00 0.00 H new ATOM 0 HD1 PHE A 113 118.507 -0.222 7.221 1.00 0.00 H new ATOM 0 HD2 PHE A 113 117.719 3.218 4.774 1.00 0.00 H new ATOM 0 HE1 PHE A 113 117.214 0.794 9.070 1.00 0.00 H new ATOM 0 HE2 PHE A 113 116.426 4.237 6.626 1.00 0.00 H new ATOM 0 HZ PHE A 113 116.170 3.024 8.775 1.00 0.00 H new ATOM 1859 N SER A 114 120.847 -2.190 4.188 1.00 0.00 N ATOM 1860 CA SER A 114 121.555 -2.911 3.094 1.00 0.00 C ATOM 1861 C SER A 114 120.550 -3.312 2.014 1.00 0.00 C ATOM 1862 O SER A 114 119.392 -2.947 2.064 1.00 0.00 O ATOM 1863 CB SER A 114 122.226 -4.165 3.656 1.00 0.00 C ATOM 1864 OG SER A 114 123.581 -4.206 3.228 1.00 0.00 O ATOM 0 H SER A 114 120.491 -2.783 4.937 1.00 0.00 H new ATOM 0 HA SER A 114 122.313 -2.258 2.662 1.00 0.00 H new ATOM 0 HB2 SER A 114 122.177 -4.161 4.745 1.00 0.00 H new ATOM 0 HB3 SER A 114 121.699 -5.056 3.317 1.00 0.00 H new ATOM 0 HG SER A 114 124.014 -5.008 3.588 1.00 0.00 H new ATOM 1870 N VAL A 115 120.982 -4.061 1.037 1.00 0.00 N ATOM 1871 CA VAL A 115 120.053 -4.486 -0.047 1.00 0.00 C ATOM 1872 C VAL A 115 119.872 -6.006 0.000 1.00 0.00 C ATOM 1873 O VAL A 115 120.685 -6.720 0.551 1.00 0.00 O ATOM 1874 CB VAL A 115 120.640 -4.082 -1.400 1.00 0.00 C ATOM 1875 CG1 VAL A 115 119.593 -4.286 -2.495 1.00 0.00 C ATOM 1876 CG2 VAL A 115 121.049 -2.607 -1.353 1.00 0.00 C ATOM 0 H VAL A 115 121.940 -4.397 0.943 1.00 0.00 H new ATOM 0 HA VAL A 115 119.085 -4.004 0.091 1.00 0.00 H new ATOM 0 HB VAL A 115 121.513 -4.698 -1.617 1.00 0.00 H new ATOM 0 HG11 VAL A 115 120.013 -3.998 -3.458 1.00 0.00 H new ATOM 0 HG12 VAL A 115 119.299 -5.335 -2.527 1.00 0.00 H new ATOM 0 HG13 VAL A 115 118.719 -3.671 -2.282 1.00 0.00 H new ATOM 0 HG21 VAL A 115 121.468 -2.315 -2.316 1.00 0.00 H new ATOM 0 HG22 VAL A 115 120.174 -1.994 -1.137 1.00 0.00 H new ATOM 0 HG23 VAL A 115 121.796 -2.461 -0.573 1.00 0.00 H new ATOM 1886 N ILE A 116 118.809 -6.507 -0.572 1.00 0.00 N ATOM 1887 CA ILE A 116 118.583 -7.980 -0.555 1.00 0.00 C ATOM 1888 C ILE A 116 118.243 -8.472 -1.964 1.00 0.00 C ATOM 1889 O ILE A 116 118.950 -9.279 -2.534 1.00 0.00 O ATOM 1890 CB ILE A 116 117.426 -8.313 0.390 1.00 0.00 C ATOM 1891 CG1 ILE A 116 117.592 -7.529 1.695 1.00 0.00 C ATOM 1892 CG2 ILE A 116 117.434 -9.812 0.692 1.00 0.00 C ATOM 1893 CD1 ILE A 116 116.320 -7.659 2.534 1.00 0.00 C ATOM 0 H ILE A 116 118.091 -5.961 -1.048 1.00 0.00 H new ATOM 0 HA ILE A 116 119.491 -8.474 -0.209 1.00 0.00 H new ATOM 0 HB ILE A 116 116.481 -8.040 -0.080 1.00 0.00 H new ATOM 0 HG12 ILE A 116 118.448 -7.908 2.253 1.00 0.00 H new ATOM 0 HG13 ILE A 116 117.792 -6.480 1.478 1.00 0.00 H new ATOM 0 HG21 ILE A 116 116.611 -10.052 1.365 1.00 0.00 H new ATOM 0 HG22 ILE A 116 117.318 -10.371 -0.237 1.00 0.00 H new ATOM 0 HG23 ILE A 116 118.379 -10.083 1.163 1.00 0.00 H new ATOM 0 HD11 ILE A 116 116.438 -7.101 3.463 1.00 0.00 H new ATOM 0 HD12 ILE A 116 115.473 -7.259 1.976 1.00 0.00 H new ATOM 0 HD13 ILE A 116 116.140 -8.710 2.762 1.00 0.00 H new ATOM 1905 N GLU A 117 117.164 -8.003 -2.534 1.00 0.00 N ATOM 1906 CA GLU A 117 116.797 -8.467 -3.906 1.00 0.00 C ATOM 1907 C GLU A 117 115.938 -7.415 -4.613 1.00 0.00 C ATOM 1908 O GLU A 117 114.800 -7.187 -4.255 1.00 0.00 O ATOM 1909 CB GLU A 117 116.008 -9.775 -3.806 1.00 0.00 C ATOM 1910 CG GLU A 117 116.630 -10.822 -4.732 1.00 0.00 C ATOM 1911 CD GLU A 117 115.521 -11.604 -5.438 1.00 0.00 C ATOM 1912 OE1 GLU A 117 114.922 -11.055 -6.348 1.00 0.00 O ATOM 1913 OE2 GLU A 117 115.287 -12.739 -5.055 1.00 0.00 O ATOM 0 H GLU A 117 116.527 -7.326 -2.115 1.00 0.00 H new ATOM 0 HA GLU A 117 117.710 -8.624 -4.480 1.00 0.00 H new ATOM 0 HB2 GLU A 117 116.012 -10.136 -2.778 1.00 0.00 H new ATOM 0 HB3 GLU A 117 114.967 -9.605 -4.080 1.00 0.00 H new ATOM 0 HG2 GLU A 117 117.272 -10.337 -5.467 1.00 0.00 H new ATOM 0 HG3 GLU A 117 117.260 -11.502 -4.158 1.00 0.00 H new ATOM 1920 N GLU A 118 116.471 -6.781 -5.623 1.00 0.00 N ATOM 1921 CA GLU A 118 115.682 -5.751 -6.360 1.00 0.00 C ATOM 1922 C GLU A 118 115.400 -6.247 -7.779 1.00 0.00 C ATOM 1923 O GLU A 118 115.859 -7.296 -8.184 1.00 0.00 O ATOM 1924 CB GLU A 118 116.478 -4.445 -6.428 1.00 0.00 C ATOM 1925 CG GLU A 118 117.339 -4.304 -5.171 1.00 0.00 C ATOM 1926 CD GLU A 118 118.794 -4.636 -5.508 1.00 0.00 C ATOM 1927 OE1 GLU A 118 119.336 -4.003 -6.399 1.00 0.00 O ATOM 1928 OE2 GLU A 118 119.343 -5.518 -4.867 1.00 0.00 O ATOM 0 H GLU A 118 117.418 -6.932 -5.970 1.00 0.00 H new ATOM 0 HA GLU A 118 114.741 -5.575 -5.839 1.00 0.00 H new ATOM 0 HB2 GLU A 118 117.109 -4.438 -7.316 1.00 0.00 H new ATOM 0 HB3 GLU A 118 115.799 -3.597 -6.513 1.00 0.00 H new ATOM 0 HG2 GLU A 118 117.268 -3.289 -4.781 1.00 0.00 H new ATOM 0 HG3 GLU A 118 116.974 -4.972 -4.391 1.00 0.00 H new ATOM 1935 N SER A 119 114.645 -5.499 -8.538 1.00 0.00 N ATOM 1936 CA SER A 119 114.334 -5.927 -9.931 1.00 0.00 C ATOM 1937 C SER A 119 115.264 -5.205 -10.907 1.00 0.00 C ATOM 1938 O SER A 119 115.507 -5.668 -12.004 1.00 0.00 O ATOM 1939 CB SER A 119 112.880 -5.579 -10.257 1.00 0.00 C ATOM 1940 OG SER A 119 112.788 -5.183 -11.620 1.00 0.00 O ATOM 0 H SER A 119 114.231 -4.611 -8.253 1.00 0.00 H new ATOM 0 HA SER A 119 114.479 -7.003 -10.022 1.00 0.00 H new ATOM 0 HB2 SER A 119 112.237 -6.440 -10.072 1.00 0.00 H new ATOM 0 HB3 SER A 119 112.532 -4.775 -9.608 1.00 0.00 H new ATOM 0 HG SER A 119 111.858 -4.961 -11.834 1.00 0.00 H new ATOM 1946 N LEU A 120 115.787 -4.074 -10.519 1.00 0.00 N ATOM 1947 CA LEU A 120 116.702 -3.327 -11.427 1.00 0.00 C ATOM 1948 C LEU A 120 118.150 -3.521 -10.967 1.00 0.00 C ATOM 1949 O LEU A 120 118.404 -3.738 -9.799 1.00 0.00 O ATOM 1950 CB LEU A 120 116.352 -1.838 -11.392 1.00 0.00 C ATOM 1951 CG LEU A 120 115.079 -1.592 -12.204 1.00 0.00 C ATOM 1952 CD1 LEU A 120 114.598 -0.158 -11.975 1.00 0.00 C ATOM 1953 CD2 LEU A 120 115.377 -1.800 -13.690 1.00 0.00 C ATOM 0 H LEU A 120 115.620 -3.636 -9.613 1.00 0.00 H new ATOM 0 HA LEU A 120 116.590 -3.703 -12.444 1.00 0.00 H new ATOM 0 HB2 LEU A 120 116.207 -1.512 -10.362 1.00 0.00 H new ATOM 0 HB3 LEU A 120 117.175 -1.251 -11.800 1.00 0.00 H new ATOM 0 HG LEU A 120 114.303 -2.289 -11.887 1.00 0.00 H new ATOM 0 HD11 LEU A 120 113.691 0.018 -12.553 1.00 0.00 H new ATOM 0 HD12 LEU A 120 114.388 -0.010 -10.916 1.00 0.00 H new ATOM 0 HD13 LEU A 120 115.372 0.541 -12.293 1.00 0.00 H new ATOM 0 HD21 LEU A 120 114.471 -1.625 -14.271 1.00 0.00 H new ATOM 0 HD22 LEU A 120 116.152 -1.102 -14.007 1.00 0.00 H new ATOM 0 HD23 LEU A 120 115.721 -2.821 -13.853 1.00 0.00 H new ATOM 1965 N PRO A 121 119.059 -3.434 -11.906 1.00 0.00 N ATOM 1966 CA PRO A 121 120.498 -3.594 -11.636 1.00 0.00 C ATOM 1967 C PRO A 121 121.070 -2.319 -11.012 1.00 0.00 C ATOM 1968 O PRO A 121 121.627 -2.339 -9.932 1.00 0.00 O ATOM 1969 CB PRO A 121 121.098 -3.840 -13.024 1.00 0.00 C ATOM 1970 CG PRO A 121 120.092 -3.255 -14.044 1.00 0.00 C ATOM 1971 CD PRO A 121 118.734 -3.169 -13.323 1.00 0.00 C ATOM 0 HA PRO A 121 120.716 -4.399 -10.934 1.00 0.00 H new ATOM 0 HB2 PRO A 121 122.071 -3.358 -13.118 1.00 0.00 H new ATOM 0 HB3 PRO A 121 121.252 -4.905 -13.197 1.00 0.00 H new ATOM 0 HG2 PRO A 121 120.413 -2.270 -14.384 1.00 0.00 H new ATOM 0 HG3 PRO A 121 120.022 -3.890 -14.927 1.00 0.00 H new ATOM 0 HD2 PRO A 121 118.277 -2.188 -13.450 1.00 0.00 H new ATOM 0 HD3 PRO A 121 118.028 -3.902 -13.714 1.00 0.00 H new ATOM 1979 N GLY A 122 120.938 -1.215 -11.687 1.00 0.00 N ATOM 1980 CA GLY A 122 121.473 0.065 -11.141 1.00 0.00 C ATOM 1981 C GLY A 122 120.709 0.442 -9.870 1.00 0.00 C ATOM 1982 O GLY A 122 121.288 0.880 -8.894 1.00 0.00 O ATOM 0 H GLY A 122 120.482 -1.141 -12.596 1.00 0.00 H new ATOM 0 HA2 GLY A 122 122.536 -0.038 -10.921 1.00 0.00 H new ATOM 0 HA3 GLY A 122 121.376 0.857 -11.884 1.00 0.00 H new ATOM 1986 N GLY A 123 119.416 0.276 -9.870 1.00 0.00 N ATOM 1987 CA GLY A 123 118.620 0.624 -8.659 1.00 0.00 C ATOM 1988 C GLY A 123 117.858 1.929 -8.898 1.00 0.00 C ATOM 1989 O GLY A 123 118.348 3.006 -8.620 1.00 0.00 O ATOM 0 H GLY A 123 118.875 -0.086 -10.656 1.00 0.00 H new ATOM 0 HA2 GLY A 123 117.920 -0.180 -8.429 1.00 0.00 H new ATOM 0 HA3 GLY A 123 119.279 0.729 -7.797 1.00 0.00 H new ATOM 1993 N LEU A 124 116.659 1.841 -9.406 1.00 0.00 N ATOM 1994 CA LEU A 124 115.858 3.073 -9.663 1.00 0.00 C ATOM 1995 C LEU A 124 116.682 4.065 -10.484 1.00 0.00 C ATOM 1996 O LEU A 124 117.857 3.869 -10.720 1.00 0.00 O ATOM 1997 CB LEU A 124 115.475 3.719 -8.331 1.00 0.00 C ATOM 1998 CG LEU A 124 114.262 2.999 -7.743 1.00 0.00 C ATOM 1999 CD1 LEU A 124 113.874 3.661 -6.422 1.00 0.00 C ATOM 2000 CD2 LEU A 124 113.088 3.089 -8.723 1.00 0.00 C ATOM 0 H LEU A 124 116.198 0.966 -9.655 1.00 0.00 H new ATOM 0 HA LEU A 124 114.957 2.805 -10.215 1.00 0.00 H new ATOM 0 HB2 LEU A 124 116.313 3.668 -7.636 1.00 0.00 H new ATOM 0 HB3 LEU A 124 115.248 4.775 -8.479 1.00 0.00 H new ATOM 0 HG LEU A 124 114.508 1.952 -7.569 1.00 0.00 H new ATOM 0 HD11 LEU A 124 113.009 3.150 -5.999 1.00 0.00 H new ATOM 0 HD12 LEU A 124 114.709 3.598 -5.724 1.00 0.00 H new ATOM 0 HD13 LEU A 124 113.627 4.708 -6.598 1.00 0.00 H new ATOM 0 HD21 LEU A 124 112.223 2.575 -8.303 1.00 0.00 H new ATOM 0 HD22 LEU A 124 112.839 4.136 -8.897 1.00 0.00 H new ATOM 0 HD23 LEU A 124 113.365 2.620 -9.667 1.00 0.00 H new