USER MOD reduce.3.24.130724 H: found=0, std=0, add=962, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 961 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 161 THR OG1 : rot 180:sc= -0.511 USER MOD Set 1.2: A 171 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 65 THR OG1 : rot -170:sc= -2.3 USER MOD Set 2.2: A 170 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 66 MET CE :methyl -113:sc= -3.95! (180deg=-6.82!) USER MOD Set 3.2: A 173 HIS : no HD1:sc= -2.61 K(o=-6.6,f=-9.6!) USER MOD Set 4.1: A 24 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 62 GLN :FLIP amide:sc= 0.634 F(o=-3.4,f=-2.5) USER MOD Set 4.3: A 64 HIS : no HE2:sc= -3.17 K(o=-2.5,f=-5.6) USER MOD Single : A 14 SER OG : rot 34:sc= 0.532 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.00527 USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.136 USER MOD Single : A 19 THR OG1 : rot 21:sc= -2.09 USER MOD Single : A 21 THR OG1 : rot 33:sc= 0.377 USER MOD Single : A 25 SER OG : rot 123:sc= 0.137 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= 0.0825 K(o=0.082,f=-1.3) USER MOD Single : A 41 ASN : amide:sc= -1.44 K(o=-1.4,f=-5.2!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot -6:sc= -3.54! USER MOD Single : A 46 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 HIS : no HE2:sc= -3.99! C(o=-4!,f=-6.6!) USER MOD Single : A 50 SER OG : rot 180:sc= -1.95 USER MOD Single : A 51 SER OG : rot 180:sc= -0.769 USER MOD Single : A 54 THR OG1 : rot -20:sc= 0.943 USER MOD Single : A 56 SER OG : rot -140:sc= -3.33! USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 151:sc= -5! USER MOD Single : A 69 ASN : amide:sc= -4.4 K(o=-4.4,f=-16!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 MET CE :methyl -120:sc= -2.66 (180deg=-5.16!) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ -163:sc= 0.745 (180deg=0.324) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ -140:sc= -0.124 (180deg=-0.936) USER MOD Single : A 121 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 123 GLN :FLIP amide:sc= -4.35! F(o=-5.2,f=-4.3!) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD Single : A 135 LYS NZ :NH3+ 163:sc= -0.924 (180deg=-2.06!) USER MOD Single : A 136 LYS NZ :NH3+ -168:sc= -0.811 (180deg=-0.849) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 ASN : amide:sc= -0.0325 K(o=-0.033,f=-2.3!) USER MOD Single : A 144 MET CE :methyl -167:sc= -5.39 (180deg=-5.75) USER MOD Single : A 146 GLN :FLIP amide:sc= -0.395 F(o=-1.3,f=-0.4) USER MOD Single : A 153 TYR OH : rot 180:sc= 0 USER MOD Single : A 159 THR OG1 : rot 8:sc= -0.439 USER MOD Single : A 160 TYR OH : rot 180:sc= -1.41 USER MOD Single : A 163 GLN : amide:sc= -2.03 K(o=-2,f=-12!) USER MOD Single : A 167 ASN :FLIP amide:sc= 0 F(o=-0.85,f=0) USER MOD Single : A 169 ASN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 175 HIS : no HD1:sc= -0.42 X(o=-0.42,f=-0.11) USER MOD Single : A 176 TYR OH : rot -102:sc= -1.13 USER MOD ----------------------------------------------------------------- ATOM 79 N GLU A 7 5.313 0.088 11.899 1.00 0.00 N ATOM 80 CA GLU A 7 5.966 -0.931 11.086 1.00 0.00 C ATOM 81 C GLU A 7 5.245 -2.273 11.198 1.00 0.00 C ATOM 82 O GLU A 7 5.877 -3.319 11.347 1.00 0.00 O ATOM 83 CB GLU A 7 7.430 -1.084 11.502 1.00 0.00 C ATOM 84 CG GLU A 7 8.262 0.165 11.261 1.00 0.00 C ATOM 85 CD GLU A 7 9.745 -0.133 11.164 1.00 0.00 C ATOM 86 OE1 GLU A 7 10.193 -0.571 10.084 1.00 0.00 O ATOM 87 OE2 GLU A 7 10.459 0.073 12.168 1.00 0.00 O ATOM 0 HA GLU A 7 5.923 -0.609 10.046 1.00 0.00 H new ATOM 0 HB2 GLU A 7 7.474 -1.342 12.560 1.00 0.00 H new ATOM 0 HB3 GLU A 7 7.871 -1.916 10.953 1.00 0.00 H new ATOM 0 HG2 GLU A 7 7.931 0.646 10.341 1.00 0.00 H new ATOM 0 HG3 GLU A 7 8.090 0.874 12.071 1.00 0.00 H new ATOM 94 N GLU A 8 3.919 -2.233 11.120 1.00 0.00 N ATOM 95 CA GLU A 8 3.112 -3.444 11.208 1.00 0.00 C ATOM 96 C GLU A 8 3.468 -4.414 10.085 1.00 0.00 C ATOM 97 O GLU A 8 3.620 -5.614 10.312 1.00 0.00 O ATOM 98 CB GLU A 8 1.623 -3.093 11.146 1.00 0.00 C ATOM 99 CG GLU A 8 0.969 -2.976 12.513 1.00 0.00 C ATOM 100 CD GLU A 8 -0.401 -2.330 12.450 1.00 0.00 C ATOM 101 OE1 GLU A 8 -1.220 -2.755 11.607 1.00 0.00 O ATOM 102 OE2 GLU A 8 -0.656 -1.399 13.242 1.00 0.00 O ATOM 0 H GLU A 8 3.381 -1.375 10.996 1.00 0.00 H new ATOM 0 HA GLU A 8 3.324 -3.928 12.162 1.00 0.00 H new ATOM 0 HB2 GLU A 8 1.502 -2.150 10.613 1.00 0.00 H new ATOM 0 HB3 GLU A 8 1.102 -3.856 10.567 1.00 0.00 H new ATOM 0 HG2 GLU A 8 0.879 -3.968 12.955 1.00 0.00 H new ATOM 0 HG3 GLU A 8 1.612 -2.392 13.171 1.00 0.00 H new ATOM 109 N PHE A 9 3.605 -3.882 8.875 1.00 0.00 N ATOM 110 CA PHE A 9 3.950 -4.695 7.714 1.00 0.00 C ATOM 111 C PHE A 9 5.412 -5.126 7.774 1.00 0.00 C ATOM 112 O PHE A 9 5.759 -6.239 7.384 1.00 0.00 O ATOM 113 CB PHE A 9 3.696 -3.910 6.427 1.00 0.00 C ATOM 114 CG PHE A 9 2.350 -4.169 5.813 1.00 0.00 C ATOM 115 CD1 PHE A 9 2.151 -5.254 4.975 1.00 0.00 C ATOM 116 CD2 PHE A 9 1.284 -3.322 6.072 1.00 0.00 C ATOM 117 CE1 PHE A 9 0.914 -5.490 4.406 1.00 0.00 C ATOM 118 CE2 PHE A 9 0.045 -3.553 5.506 1.00 0.00 C ATOM 119 CZ PHE A 9 -0.141 -4.638 4.672 1.00 0.00 C ATOM 0 H PHE A 9 3.482 -2.890 8.673 1.00 0.00 H new ATOM 0 HA PHE A 9 3.322 -5.586 7.721 1.00 0.00 H new ATOM 0 HB2 PHE A 9 3.789 -2.845 6.638 1.00 0.00 H new ATOM 0 HB3 PHE A 9 4.470 -4.160 5.701 1.00 0.00 H new ATOM 0 HD1 PHE A 9 2.972 -5.923 4.764 1.00 0.00 H new ATOM 0 HD2 PHE A 9 1.423 -2.472 6.723 1.00 0.00 H new ATOM 0 HE1 PHE A 9 0.772 -6.339 3.754 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -0.778 -2.885 5.716 1.00 0.00 H new ATOM 0 HZ PHE A 9 -1.109 -4.820 4.229 1.00 0.00 H new ATOM 129 N ALA A 10 6.261 -4.229 8.263 1.00 0.00 N ATOM 130 CA ALA A 10 7.688 -4.498 8.378 1.00 0.00 C ATOM 131 C ALA A 10 8.304 -4.788 7.015 1.00 0.00 C ATOM 132 O ALA A 10 7.645 -5.327 6.126 1.00 0.00 O ATOM 133 CB ALA A 10 7.934 -5.655 9.334 1.00 0.00 C ATOM 0 H ALA A 10 5.982 -3.303 8.588 1.00 0.00 H new ATOM 0 HA ALA A 10 8.169 -3.606 8.779 1.00 0.00 H new ATOM 0 HB1 ALA A 10 9.005 -5.844 9.409 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.540 -5.403 10.319 1.00 0.00 H new ATOM 0 HB3 ALA A 10 7.434 -6.548 8.960 1.00 0.00 H new ATOM 139 N VAL A 11 9.571 -4.426 6.855 1.00 0.00 N ATOM 140 CA VAL A 11 10.272 -4.648 5.598 1.00 0.00 C ATOM 141 C VAL A 11 11.698 -5.123 5.838 1.00 0.00 C ATOM 142 O VAL A 11 12.393 -4.615 6.717 1.00 0.00 O ATOM 143 CB VAL A 11 10.316 -3.374 4.733 1.00 0.00 C ATOM 144 CG1 VAL A 11 9.047 -3.244 3.905 1.00 0.00 C ATOM 145 CG2 VAL A 11 10.526 -2.140 5.599 1.00 0.00 C ATOM 0 H VAL A 11 10.133 -3.978 7.579 1.00 0.00 H new ATOM 0 HA VAL A 11 9.713 -5.419 5.067 1.00 0.00 H new ATOM 0 HB VAL A 11 11.161 -3.455 4.050 1.00 0.00 H new ATOM 0 HG11 VAL A 11 9.098 -2.338 3.301 1.00 0.00 H new ATOM 0 HG12 VAL A 11 8.949 -4.111 3.251 1.00 0.00 H new ATOM 0 HG13 VAL A 11 8.184 -3.190 4.568 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.554 -1.252 4.967 1.00 0.00 H new ATOM 0 HG22 VAL A 11 9.706 -2.052 6.312 1.00 0.00 H new ATOM 0 HG23 VAL A 11 11.469 -2.231 6.139 1.00 0.00 H new ATOM 155 N GLU A 12 12.130 -6.096 5.045 1.00 0.00 N ATOM 156 CA GLU A 12 13.477 -6.633 5.166 1.00 0.00 C ATOM 157 C GLU A 12 14.163 -6.664 3.806 1.00 0.00 C ATOM 158 O GLU A 12 13.862 -7.512 2.967 1.00 0.00 O ATOM 159 CB GLU A 12 13.440 -8.039 5.767 1.00 0.00 C ATOM 160 CG GLU A 12 14.710 -8.416 6.513 1.00 0.00 C ATOM 161 CD GLU A 12 14.833 -9.911 6.735 1.00 0.00 C ATOM 162 OE1 GLU A 12 14.755 -10.667 5.744 1.00 0.00 O ATOM 163 OE2 GLU A 12 15.009 -10.326 7.900 1.00 0.00 O ATOM 0 H GLU A 12 11.567 -6.528 4.312 1.00 0.00 H new ATOM 0 HA GLU A 12 14.046 -5.983 5.830 1.00 0.00 H new ATOM 0 HB2 GLU A 12 12.593 -8.111 6.449 1.00 0.00 H new ATOM 0 HB3 GLU A 12 13.269 -8.762 4.969 1.00 0.00 H new ATOM 0 HG2 GLU A 12 15.575 -8.063 5.952 1.00 0.00 H new ATOM 0 HG3 GLU A 12 14.726 -7.907 7.477 1.00 0.00 H new ATOM 170 N ILE A 13 15.084 -5.731 3.594 1.00 0.00 N ATOM 171 CA ILE A 13 15.808 -5.648 2.334 1.00 0.00 C ATOM 172 C ILE A 13 16.934 -6.675 2.277 1.00 0.00 C ATOM 173 O ILE A 13 17.468 -7.085 3.307 1.00 0.00 O ATOM 174 CB ILE A 13 16.401 -4.243 2.114 1.00 0.00 C ATOM 175 CG1 ILE A 13 15.353 -3.169 2.412 1.00 0.00 C ATOM 176 CG2 ILE A 13 16.919 -4.105 0.690 1.00 0.00 C ATOM 177 CD1 ILE A 13 15.863 -1.757 2.218 1.00 0.00 C ATOM 0 H ILE A 13 15.346 -5.022 4.279 1.00 0.00 H new ATOM 0 HA ILE A 13 15.087 -5.857 1.544 1.00 0.00 H new ATOM 0 HB ILE A 13 17.237 -4.106 2.800 1.00 0.00 H new ATOM 0 HG12 ILE A 13 14.489 -3.327 1.766 1.00 0.00 H new ATOM 0 HG13 ILE A 13 15.008 -3.284 3.440 1.00 0.00 H new ATOM 0 HG21 ILE A 13 17.335 -3.107 0.549 1.00 0.00 H new ATOM 0 HG22 ILE A 13 17.694 -4.850 0.511 1.00 0.00 H new ATOM 0 HG23 ILE A 13 16.099 -4.259 -0.012 1.00 0.00 H new ATOM 0 HD11 ILE A 13 15.067 -1.048 2.447 1.00 0.00 H new ATOM 0 HD12 ILE A 13 16.708 -1.581 2.883 1.00 0.00 H new ATOM 0 HD13 ILE A 13 16.181 -1.624 1.184 1.00 0.00 H new ATOM 189 N SER A 14 17.288 -7.083 1.064 1.00 0.00 N ATOM 190 CA SER A 14 18.350 -8.060 0.860 1.00 0.00 C ATOM 191 C SER A 14 18.898 -7.961 -0.559 1.00 0.00 C ATOM 192 O SER A 14 18.547 -8.760 -1.428 1.00 0.00 O ATOM 193 CB SER A 14 17.832 -9.474 1.124 1.00 0.00 C ATOM 194 OG SER A 14 17.980 -9.826 2.489 1.00 0.00 O ATOM 0 H SER A 14 16.853 -6.750 0.204 1.00 0.00 H new ATOM 0 HA SER A 14 19.155 -7.845 1.563 1.00 0.00 H new ATOM 0 HB2 SER A 14 16.781 -9.538 0.841 1.00 0.00 H new ATOM 0 HB3 SER A 14 18.374 -10.185 0.501 1.00 0.00 H new ATOM 0 HG SER A 14 17.851 -9.031 3.048 1.00 0.00 H new ATOM 200 N GLY A 15 19.752 -6.970 -0.790 1.00 0.00 N ATOM 201 CA GLY A 15 20.325 -6.781 -2.109 1.00 0.00 C ATOM 202 C GLY A 15 19.307 -6.262 -3.103 1.00 0.00 C ATOM 203 O GLY A 15 18.957 -5.082 -3.084 1.00 0.00 O ATOM 0 H GLY A 15 20.057 -6.295 -0.088 1.00 0.00 H new ATOM 0 HA2 GLY A 15 21.158 -6.081 -2.045 1.00 0.00 H new ATOM 0 HA3 GLY A 15 20.731 -7.727 -2.467 1.00 0.00 H new ATOM 207 N THR A 16 18.824 -7.146 -3.967 1.00 0.00 N ATOM 208 CA THR A 16 17.831 -6.772 -4.966 1.00 0.00 C ATOM 209 C THR A 16 16.461 -7.350 -4.616 1.00 0.00 C ATOM 210 O THR A 16 15.554 -7.364 -5.449 1.00 0.00 O ATOM 211 CB THR A 16 18.263 -7.257 -6.351 1.00 0.00 C ATOM 212 OG1 THR A 16 18.960 -8.487 -6.257 1.00 0.00 O ATOM 213 CG2 THR A 16 19.158 -6.276 -7.077 1.00 0.00 C ATOM 0 H THR A 16 19.104 -8.126 -3.996 1.00 0.00 H new ATOM 0 HA THR A 16 17.755 -5.685 -4.977 1.00 0.00 H new ATOM 0 HB THR A 16 17.339 -7.369 -6.919 1.00 0.00 H new ATOM 0 HG1 THR A 16 19.226 -8.781 -7.153 1.00 0.00 H new ATOM 0 HG21 THR A 16 19.427 -6.682 -8.052 1.00 0.00 H new ATOM 0 HG22 THR A 16 18.630 -5.332 -7.210 1.00 0.00 H new ATOM 0 HG23 THR A 16 20.062 -6.107 -6.492 1.00 0.00 H new ATOM 221 N THR A 17 16.316 -7.828 -3.382 1.00 0.00 N ATOM 222 CA THR A 17 15.055 -8.407 -2.932 1.00 0.00 C ATOM 223 C THR A 17 14.695 -7.923 -1.530 1.00 0.00 C ATOM 224 O THR A 17 15.566 -7.758 -0.677 1.00 0.00 O ATOM 225 CB THR A 17 15.139 -9.935 -2.949 1.00 0.00 C ATOM 226 OG1 THR A 17 15.477 -10.403 -4.242 1.00 0.00 O ATOM 227 CG2 THR A 17 13.848 -10.611 -2.539 1.00 0.00 C ATOM 0 H THR A 17 17.055 -7.825 -2.679 1.00 0.00 H new ATOM 0 HA THR A 17 14.273 -8.081 -3.618 1.00 0.00 H new ATOM 0 HB THR A 17 15.910 -10.190 -2.222 1.00 0.00 H new ATOM 0 HG1 THR A 17 15.528 -11.382 -4.233 1.00 0.00 H new ATOM 0 HG21 THR A 17 13.977 -11.693 -2.573 1.00 0.00 H new ATOM 0 HG22 THR A 17 13.585 -10.309 -1.525 1.00 0.00 H new ATOM 0 HG23 THR A 17 13.051 -10.319 -3.223 1.00 0.00 H new ATOM 235 N VAL A 18 13.405 -7.705 -1.299 1.00 0.00 N ATOM 236 CA VAL A 18 12.920 -7.246 -0.001 1.00 0.00 C ATOM 237 C VAL A 18 11.586 -7.914 0.335 1.00 0.00 C ATOM 238 O VAL A 18 10.766 -8.158 -0.551 1.00 0.00 O ATOM 239 CB VAL A 18 12.773 -5.705 0.039 1.00 0.00 C ATOM 240 CG1 VAL A 18 12.257 -5.175 -1.289 1.00 0.00 C ATOM 241 CG2 VAL A 18 11.867 -5.266 1.182 1.00 0.00 C ATOM 0 H VAL A 18 12.673 -7.839 -1.997 1.00 0.00 H new ATOM 0 HA VAL A 18 13.659 -7.530 0.748 1.00 0.00 H new ATOM 0 HB VAL A 18 13.762 -5.283 0.215 1.00 0.00 H new ATOM 0 HG11 VAL A 18 12.162 -4.090 -1.236 1.00 0.00 H new ATOM 0 HG12 VAL A 18 12.956 -5.440 -2.083 1.00 0.00 H new ATOM 0 HG13 VAL A 18 11.283 -5.614 -1.502 1.00 0.00 H new ATOM 0 HG21 VAL A 18 11.784 -4.179 1.183 1.00 0.00 H new ATOM 0 HG22 VAL A 18 10.878 -5.705 1.052 1.00 0.00 H new ATOM 0 HG23 VAL A 18 12.290 -5.599 2.130 1.00 0.00 H new ATOM 251 N THR A 19 11.382 -8.225 1.613 1.00 0.00 N ATOM 252 CA THR A 19 10.155 -8.886 2.051 1.00 0.00 C ATOM 253 C THR A 19 9.335 -8.008 2.996 1.00 0.00 C ATOM 254 O THR A 19 9.875 -7.150 3.693 1.00 0.00 O ATOM 255 CB THR A 19 10.492 -10.210 2.738 1.00 0.00 C ATOM 256 OG1 THR A 19 9.315 -10.946 3.013 1.00 0.00 O ATOM 257 CG2 THR A 19 11.242 -10.037 4.041 1.00 0.00 C ATOM 0 H THR A 19 12.048 -8.031 2.361 1.00 0.00 H new ATOM 0 HA THR A 19 9.550 -9.072 1.164 1.00 0.00 H new ATOM 0 HB THR A 19 11.135 -10.742 2.037 1.00 0.00 H new ATOM 0 HG1 THR A 19 8.591 -10.634 2.431 1.00 0.00 H new ATOM 0 HG21 THR A 19 11.449 -11.015 4.475 1.00 0.00 H new ATOM 0 HG22 THR A 19 12.182 -9.517 3.854 1.00 0.00 H new ATOM 0 HG23 THR A 19 10.637 -9.453 4.735 1.00 0.00 H new ATOM 265 N ILE A 20 8.024 -8.245 3.014 1.00 0.00 N ATOM 266 CA ILE A 20 7.106 -7.498 3.872 1.00 0.00 C ATOM 267 C ILE A 20 6.165 -8.455 4.601 1.00 0.00 C ATOM 268 O ILE A 20 5.396 -9.174 3.967 1.00 0.00 O ATOM 269 CB ILE A 20 6.255 -6.497 3.062 1.00 0.00 C ATOM 270 CG1 ILE A 20 7.114 -5.745 2.040 1.00 0.00 C ATOM 271 CG2 ILE A 20 5.559 -5.520 3.995 1.00 0.00 C ATOM 272 CD1 ILE A 20 6.533 -5.762 0.642 1.00 0.00 C ATOM 0 H ILE A 20 7.571 -8.955 2.439 1.00 0.00 H new ATOM 0 HA ILE A 20 7.715 -6.946 4.588 1.00 0.00 H new ATOM 0 HB ILE A 20 5.498 -7.059 2.516 1.00 0.00 H new ATOM 0 HG12 ILE A 20 7.231 -4.711 2.365 1.00 0.00 H new ATOM 0 HG13 ILE A 20 8.110 -6.187 2.018 1.00 0.00 H new ATOM 0 HG21 ILE A 20 4.963 -4.820 3.410 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.909 -6.068 4.677 1.00 0.00 H new ATOM 0 HG23 ILE A 20 6.305 -4.970 4.568 1.00 0.00 H new ATOM 0 HD11 ILE A 20 7.190 -5.212 -0.032 1.00 0.00 H new ATOM 0 HD12 ILE A 20 6.441 -6.792 0.299 1.00 0.00 H new ATOM 0 HD13 ILE A 20 5.549 -5.294 0.651 1.00 0.00 H new ATOM 284 N THR A 21 6.224 -8.470 5.930 1.00 0.00 N ATOM 285 CA THR A 21 5.367 -9.361 6.710 1.00 0.00 C ATOM 286 C THR A 21 3.950 -8.806 6.826 1.00 0.00 C ATOM 287 O THR A 21 3.748 -7.591 6.839 1.00 0.00 O ATOM 288 CB THR A 21 5.961 -9.602 8.102 1.00 0.00 C ATOM 289 OG1 THR A 21 5.287 -10.662 8.756 1.00 0.00 O ATOM 290 CG2 THR A 21 5.899 -8.393 9.010 1.00 0.00 C ATOM 0 H THR A 21 6.848 -7.884 6.485 1.00 0.00 H new ATOM 0 HA THR A 21 5.314 -10.314 6.184 1.00 0.00 H new ATOM 0 HB THR A 21 7.009 -9.843 7.924 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.996 -11.323 8.093 1.00 0.00 H new ATOM 0 HG21 THR A 21 6.338 -8.641 9.976 1.00 0.00 H new ATOM 0 HG22 THR A 21 6.455 -7.571 8.559 1.00 0.00 H new ATOM 0 HG23 THR A 21 4.860 -8.095 9.149 1.00 0.00 H new ATOM 298 N CYS A 22 2.971 -9.704 6.911 1.00 0.00 N ATOM 299 CA CYS A 22 1.574 -9.297 7.027 1.00 0.00 C ATOM 300 C CYS A 22 1.162 -9.176 8.494 1.00 0.00 C ATOM 301 O CYS A 22 1.262 -10.140 9.254 1.00 0.00 O ATOM 302 CB CYS A 22 0.657 -10.299 6.320 1.00 0.00 C ATOM 303 SG CYS A 22 -1.045 -9.694 6.082 1.00 0.00 S ATOM 0 H CYS A 22 3.119 -10.713 6.902 1.00 0.00 H new ATOM 0 HA CYS A 22 1.473 -8.322 6.549 1.00 0.00 H new ATOM 0 HB2 CYS A 22 1.084 -10.546 5.348 1.00 0.00 H new ATOM 0 HB3 CYS A 22 0.627 -11.222 6.899 1.00 0.00 H new ATOM 308 N PRO A 23 0.694 -7.987 8.916 1.00 0.00 N ATOM 309 CA PRO A 23 0.274 -7.748 10.295 1.00 0.00 C ATOM 310 C PRO A 23 -1.176 -8.154 10.557 1.00 0.00 C ATOM 311 O PRO A 23 -1.640 -8.117 11.697 1.00 0.00 O ATOM 312 CB PRO A 23 0.434 -6.238 10.429 1.00 0.00 C ATOM 313 CG PRO A 23 0.123 -5.709 9.069 1.00 0.00 C ATOM 314 CD PRO A 23 0.544 -6.775 8.085 1.00 0.00 C ATOM 0 HA PRO A 23 0.854 -8.333 11.009 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -0.245 -5.832 11.178 1.00 0.00 H new ATOM 0 HB3 PRO A 23 1.445 -5.971 10.737 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -0.940 -5.490 8.972 1.00 0.00 H new ATOM 0 HG3 PRO A 23 0.658 -4.778 8.884 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -0.204 -6.916 7.305 1.00 0.00 H new ATOM 0 HD3 PRO A 23 1.478 -6.513 7.588 1.00 0.00 H new ATOM 322 N SER A 24 -1.892 -8.536 9.501 1.00 0.00 N ATOM 323 CA SER A 24 -3.288 -8.940 9.628 1.00 0.00 C ATOM 324 C SER A 24 -3.472 -9.966 10.743 1.00 0.00 C ATOM 325 O SER A 24 -3.875 -9.624 11.854 1.00 0.00 O ATOM 326 CB SER A 24 -3.796 -9.503 8.300 1.00 0.00 C ATOM 327 OG SER A 24 -4.165 -8.462 7.412 1.00 0.00 O ATOM 0 H SER A 24 -1.527 -8.574 8.549 1.00 0.00 H new ATOM 0 HA SER A 24 -3.871 -8.057 9.888 1.00 0.00 H new ATOM 0 HB2 SER A 24 -3.021 -10.118 7.842 1.00 0.00 H new ATOM 0 HB3 SER A 24 -4.653 -10.152 8.481 1.00 0.00 H new ATOM 0 HG SER A 24 -4.485 -8.848 6.570 1.00 0.00 H new ATOM 333 N SER A 25 -3.175 -11.222 10.439 1.00 0.00 N ATOM 334 CA SER A 25 -3.310 -12.297 11.418 1.00 0.00 C ATOM 335 C SER A 25 -2.120 -13.252 11.360 1.00 0.00 C ATOM 336 O SER A 25 -1.213 -13.177 12.190 1.00 0.00 O ATOM 337 CB SER A 25 -4.613 -13.066 11.189 1.00 0.00 C ATOM 338 OG SER A 25 -5.740 -12.225 11.367 1.00 0.00 O ATOM 0 H SER A 25 -2.839 -11.523 9.524 1.00 0.00 H new ATOM 0 HA SER A 25 -3.333 -11.844 12.409 1.00 0.00 H new ATOM 0 HB2 SER A 25 -4.621 -13.482 10.181 1.00 0.00 H new ATOM 0 HB3 SER A 25 -4.669 -13.906 11.881 1.00 0.00 H new ATOM 0 HG SER A 25 -6.282 -12.228 10.551 1.00 0.00 H new ATOM 344 N GLY A 26 -2.128 -14.152 10.380 1.00 0.00 N ATOM 345 CA GLY A 26 -1.043 -15.107 10.243 1.00 0.00 C ATOM 346 C GLY A 26 -1.537 -16.539 10.144 1.00 0.00 C ATOM 347 O GLY A 26 -1.471 -17.293 11.114 1.00 0.00 O ATOM 0 H GLY A 26 -2.865 -14.237 9.680 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.460 -14.865 9.354 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -0.373 -15.016 11.098 1.00 0.00 H new ATOM 351 N ASP A 27 -2.034 -16.913 8.968 1.00 0.00 N ATOM 352 CA ASP A 27 -2.541 -18.262 8.745 1.00 0.00 C ATOM 353 C ASP A 27 -2.989 -18.442 7.298 1.00 0.00 C ATOM 354 O ASP A 27 -2.759 -19.488 6.691 1.00 0.00 O ATOM 355 CB ASP A 27 -3.706 -18.555 9.692 1.00 0.00 C ATOM 356 CG ASP A 27 -3.757 -20.011 10.113 1.00 0.00 C ATOM 357 OD1 ASP A 27 -3.024 -20.383 11.054 1.00 0.00 O ATOM 358 OD2 ASP A 27 -4.529 -20.779 9.502 1.00 0.00 O ATOM 0 H ASP A 27 -2.096 -16.300 8.155 1.00 0.00 H new ATOM 0 HA ASP A 27 -1.733 -18.965 8.947 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -3.617 -17.926 10.578 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -4.643 -18.288 9.204 1.00 0.00 H new ATOM 363 N ASP A 28 -3.629 -17.414 6.752 1.00 0.00 N ATOM 364 CA ASP A 28 -4.110 -17.452 5.376 1.00 0.00 C ATOM 365 C ASP A 28 -4.229 -16.041 4.811 1.00 0.00 C ATOM 366 O ASP A 28 -5.330 -15.549 4.561 1.00 0.00 O ATOM 367 CB ASP A 28 -5.463 -18.163 5.304 1.00 0.00 C ATOM 368 CG ASP A 28 -5.842 -18.544 3.887 1.00 0.00 C ATOM 369 OD1 ASP A 28 -6.280 -17.652 3.129 1.00 0.00 O ATOM 370 OD2 ASP A 28 -5.701 -19.734 3.534 1.00 0.00 O ATOM 0 H ASP A 28 -3.827 -16.542 7.243 1.00 0.00 H new ATOM 0 HA ASP A 28 -3.389 -18.007 4.776 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -5.432 -19.060 5.922 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -6.234 -17.515 5.721 1.00 0.00 H new ATOM 375 N ILE A 29 -3.086 -15.391 4.622 1.00 0.00 N ATOM 376 CA ILE A 29 -3.053 -14.033 4.098 1.00 0.00 C ATOM 377 C ILE A 29 -3.186 -14.018 2.578 1.00 0.00 C ATOM 378 O ILE A 29 -2.594 -14.843 1.882 1.00 0.00 O ATOM 379 CB ILE A 29 -1.755 -13.313 4.516 1.00 0.00 C ATOM 380 CG1 ILE A 29 -1.699 -13.197 6.038 1.00 0.00 C ATOM 381 CG2 ILE A 29 -1.660 -11.937 3.870 1.00 0.00 C ATOM 382 CD1 ILE A 29 -0.876 -14.276 6.701 1.00 0.00 C ATOM 0 H ILE A 29 -2.168 -15.785 4.825 1.00 0.00 H new ATOM 0 HA ILE A 29 -3.905 -13.502 4.523 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.904 -13.900 4.171 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.287 -12.224 6.304 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -2.714 -13.232 6.434 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -0.735 -11.452 4.182 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.666 -12.043 2.785 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -2.511 -11.330 4.180 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -0.883 -14.127 7.781 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.300 -15.253 6.466 1.00 0.00 H new ATOM 0 HD13 ILE A 29 0.150 -14.228 6.335 1.00 0.00 H new ATOM 394 N LYS A 30 -3.973 -13.073 2.076 1.00 0.00 N ATOM 395 CA LYS A 30 -4.197 -12.942 0.643 1.00 0.00 C ATOM 396 C LYS A 30 -3.860 -11.534 0.160 1.00 0.00 C ATOM 397 O LYS A 30 -4.552 -10.572 0.490 1.00 0.00 O ATOM 398 CB LYS A 30 -5.653 -13.267 0.310 1.00 0.00 C ATOM 399 CG LYS A 30 -5.980 -14.747 0.406 1.00 0.00 C ATOM 400 CD LYS A 30 -5.708 -15.463 -0.907 1.00 0.00 C ATOM 401 CE LYS A 30 -6.509 -16.750 -1.016 1.00 0.00 C ATOM 402 NZ LYS A 30 -6.583 -17.241 -2.420 1.00 0.00 N ATOM 0 H LYS A 30 -4.468 -12.385 2.643 1.00 0.00 H new ATOM 0 HA LYS A 30 -3.540 -13.646 0.132 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -6.304 -12.714 0.987 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -5.873 -12.919 -0.699 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -5.386 -15.201 1.199 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.028 -14.872 0.680 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -5.958 -14.806 -1.740 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -4.644 -15.687 -0.987 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -6.054 -17.515 -0.387 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -7.517 -16.584 -0.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -7.138 -18.120 -2.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -7.040 -16.522 -3.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -5.623 -17.424 -2.775 1.00 0.00 H new ATOM 416 N TRP A 31 -2.798 -11.424 -0.631 1.00 0.00 N ATOM 417 CA TRP A 31 -2.376 -10.136 -1.168 1.00 0.00 C ATOM 418 C TRP A 31 -3.232 -9.757 -2.372 1.00 0.00 C ATOM 419 O TRP A 31 -4.134 -10.501 -2.758 1.00 0.00 O ATOM 420 CB TRP A 31 -0.895 -10.184 -1.551 1.00 0.00 C ATOM 421 CG TRP A 31 -0.001 -10.464 -0.382 1.00 0.00 C ATOM 422 CD1 TRP A 31 0.413 -11.688 0.058 1.00 0.00 C ATOM 423 CD2 TRP A 31 0.584 -9.501 0.503 1.00 0.00 C ATOM 424 NE1 TRP A 31 1.216 -11.547 1.163 1.00 0.00 N ATOM 425 CE2 TRP A 31 1.338 -10.214 1.456 1.00 0.00 C ATOM 426 CE3 TRP A 31 0.546 -8.106 0.584 1.00 0.00 C ATOM 427 CZ2 TRP A 31 2.044 -9.580 2.474 1.00 0.00 C ATOM 428 CZ3 TRP A 31 1.249 -7.479 1.594 1.00 0.00 C ATOM 429 CH2 TRP A 31 1.989 -8.215 2.528 1.00 0.00 C ATOM 0 H TRP A 31 -2.214 -12.211 -0.914 1.00 0.00 H new ATOM 0 HA TRP A 31 -2.510 -9.374 -0.400 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -0.745 -10.953 -2.309 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -0.610 -9.233 -2.001 1.00 0.00 H new ATOM 0 HD1 TRP A 31 0.147 -12.631 -0.397 1.00 0.00 H new ATOM 0 HE1 TRP A 31 1.651 -12.310 1.681 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -0.023 -7.529 -0.130 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 2.615 -10.146 3.195 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 1.228 -6.402 1.665 1.00 0.00 H new ATOM 0 HH2 TRP A 31 2.527 -7.694 3.306 1.00 0.00 H new ATOM 440 N LYS A 32 -2.960 -8.595 -2.958 1.00 0.00 N ATOM 441 CA LYS A 32 -3.733 -8.135 -4.113 1.00 0.00 C ATOM 442 C LYS A 32 -2.854 -7.431 -5.152 1.00 0.00 C ATOM 443 O LYS A 32 -2.706 -7.922 -6.271 1.00 0.00 O ATOM 444 CB LYS A 32 -4.872 -7.202 -3.673 1.00 0.00 C ATOM 445 CG LYS A 32 -4.975 -7.009 -2.167 1.00 0.00 C ATOM 446 CD LYS A 32 -6.177 -6.155 -1.796 1.00 0.00 C ATOM 447 CE LYS A 32 -6.824 -6.634 -0.506 1.00 0.00 C ATOM 448 NZ LYS A 32 -8.238 -6.181 -0.393 1.00 0.00 N ATOM 0 H LYS A 32 -2.220 -7.960 -2.659 1.00 0.00 H new ATOM 0 HA LYS A 32 -4.158 -9.023 -4.582 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.732 -6.229 -4.144 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -5.817 -7.601 -4.042 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -5.053 -7.981 -1.679 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -4.064 -6.538 -1.796 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -5.866 -5.116 -1.684 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -6.908 -6.184 -2.604 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -6.787 -7.723 -0.464 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -6.254 -6.262 0.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -8.643 -6.528 0.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -8.272 -5.142 -0.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -8.788 -6.557 -1.192 1.00 0.00 H new ATOM 462 N PRO A 33 -2.272 -6.264 -4.803 1.00 0.00 N ATOM 463 CA PRO A 33 -1.422 -5.487 -5.707 1.00 0.00 C ATOM 464 C PRO A 33 -0.640 -6.348 -6.696 1.00 0.00 C ATOM 465 O PRO A 33 -0.645 -6.088 -7.900 1.00 0.00 O ATOM 466 CB PRO A 33 -0.471 -4.791 -4.741 1.00 0.00 C ATOM 467 CG PRO A 33 -1.250 -4.612 -3.476 1.00 0.00 C ATOM 468 CD PRO A 33 -2.401 -5.591 -3.500 1.00 0.00 C ATOM 0 HA PRO A 33 -2.005 -4.818 -6.340 1.00 0.00 H new ATOM 0 HB2 PRO A 33 0.423 -5.390 -4.570 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -0.141 -3.831 -5.138 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -0.615 -4.790 -2.608 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -1.620 -3.590 -3.396 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -2.337 -6.302 -2.676 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -3.360 -5.081 -3.408 1.00 0.00 H new ATOM 476 N ASP A 34 0.026 -7.372 -6.181 1.00 0.00 N ATOM 477 CA ASP A 34 0.809 -8.273 -7.015 1.00 0.00 C ATOM 478 C ASP A 34 1.073 -9.582 -6.279 1.00 0.00 C ATOM 479 O ASP A 34 2.066 -9.715 -5.564 1.00 0.00 O ATOM 480 CB ASP A 34 2.130 -7.617 -7.421 1.00 0.00 C ATOM 481 CG ASP A 34 2.324 -7.588 -8.924 1.00 0.00 C ATOM 482 OD1 ASP A 34 1.927 -8.565 -9.593 1.00 0.00 O ATOM 483 OD2 ASP A 34 2.872 -6.587 -9.433 1.00 0.00 O ATOM 0 H ASP A 34 0.040 -7.600 -5.187 1.00 0.00 H new ATOM 0 HA ASP A 34 0.239 -8.489 -7.918 1.00 0.00 H new ATOM 0 HB2 ASP A 34 2.161 -6.598 -7.034 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.957 -8.158 -6.961 1.00 0.00 H new ATOM 488 N PRO A 35 0.182 -10.569 -6.448 1.00 0.00 N ATOM 489 CA PRO A 35 0.314 -11.876 -5.803 1.00 0.00 C ATOM 490 C PRO A 35 1.558 -12.607 -6.280 1.00 0.00 C ATOM 491 O PRO A 35 2.101 -13.460 -5.578 1.00 0.00 O ATOM 492 CB PRO A 35 -0.957 -12.626 -6.225 1.00 0.00 C ATOM 493 CG PRO A 35 -1.889 -11.565 -6.704 1.00 0.00 C ATOM 494 CD PRO A 35 -1.019 -10.495 -7.286 1.00 0.00 C ATOM 0 HA PRO A 35 0.419 -11.796 -4.721 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -0.745 -13.350 -7.012 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -1.385 -13.179 -5.389 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -2.579 -11.958 -7.451 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -2.494 -11.176 -5.885 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -0.793 -10.682 -8.336 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -1.491 -9.514 -7.232 1.00 0.00 H new ATOM 502 N ALA A 36 2.014 -12.252 -7.478 1.00 0.00 N ATOM 503 CA ALA A 36 3.210 -12.861 -8.048 1.00 0.00 C ATOM 504 C ALA A 36 4.382 -12.733 -7.081 1.00 0.00 C ATOM 505 O ALA A 36 5.274 -13.581 -7.048 1.00 0.00 O ATOM 506 CB ALA A 36 3.548 -12.216 -9.384 1.00 0.00 C ATOM 0 H ALA A 36 1.574 -11.548 -8.071 1.00 0.00 H new ATOM 0 HA ALA A 36 3.015 -13.920 -8.216 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.443 -12.681 -9.797 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.716 -12.353 -10.075 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.727 -11.151 -9.239 1.00 0.00 H new ATOM 512 N LEU A 37 4.361 -11.667 -6.286 1.00 0.00 N ATOM 513 CA LEU A 37 5.405 -11.418 -5.301 1.00 0.00 C ATOM 514 C LEU A 37 4.791 -11.259 -3.914 1.00 0.00 C ATOM 515 O LEU A 37 5.147 -10.351 -3.162 1.00 0.00 O ATOM 516 CB LEU A 37 6.203 -10.162 -5.665 1.00 0.00 C ATOM 517 CG LEU A 37 5.411 -9.075 -6.393 1.00 0.00 C ATOM 518 CD1 LEU A 37 6.126 -7.736 -6.296 1.00 0.00 C ATOM 519 CD2 LEU A 37 5.193 -9.464 -7.847 1.00 0.00 C ATOM 0 H LEU A 37 3.627 -10.959 -6.307 1.00 0.00 H new ATOM 0 HA LEU A 37 6.083 -12.271 -5.296 1.00 0.00 H new ATOM 0 HB2 LEU A 37 6.617 -9.737 -4.751 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.046 -10.455 -6.291 1.00 0.00 H new ATOM 0 HG LEU A 37 4.437 -8.976 -5.913 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.547 -6.976 -6.820 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.231 -7.454 -5.248 1.00 0.00 H new ATOM 0 HD13 LEU A 37 7.114 -7.817 -6.750 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.628 -8.681 -8.352 1.00 0.00 H new ATOM 0 HD22 LEU A 37 6.158 -9.590 -8.338 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.637 -10.400 -7.894 1.00 0.00 H new ATOM 531 N GLY A 38 3.860 -12.149 -3.586 1.00 0.00 N ATOM 532 CA GLY A 38 3.199 -12.096 -2.297 1.00 0.00 C ATOM 533 C GLY A 38 3.093 -13.457 -1.643 1.00 0.00 C ATOM 534 O GLY A 38 2.338 -14.316 -2.097 1.00 0.00 O ATOM 0 H GLY A 38 3.551 -12.908 -4.193 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.747 -11.422 -1.639 1.00 0.00 H new ATOM 0 HA3 GLY A 38 2.200 -11.678 -2.421 1.00 0.00 H new ATOM 538 N ASP A 39 3.847 -13.649 -0.569 1.00 0.00 N ATOM 539 CA ASP A 39 3.832 -14.913 0.158 1.00 0.00 C ATOM 540 C ASP A 39 2.987 -14.788 1.421 1.00 0.00 C ATOM 541 O ASP A 39 2.710 -13.681 1.883 1.00 0.00 O ATOM 542 CB ASP A 39 5.256 -15.344 0.517 1.00 0.00 C ATOM 543 CG ASP A 39 5.450 -16.844 0.411 1.00 0.00 C ATOM 544 OD1 ASP A 39 5.115 -17.412 -0.650 1.00 0.00 O ATOM 545 OD2 ASP A 39 5.937 -17.451 1.388 1.00 0.00 O ATOM 0 H ASP A 39 4.477 -12.946 -0.181 1.00 0.00 H new ATOM 0 HA ASP A 39 3.391 -15.674 -0.486 1.00 0.00 H new ATOM 0 HB2 ASP A 39 5.962 -14.841 -0.144 1.00 0.00 H new ATOM 0 HB3 ASP A 39 5.485 -15.022 1.533 1.00 0.00 H new ATOM 550 N ASN A 40 2.571 -15.923 1.973 1.00 0.00 N ATOM 551 CA ASN A 40 1.750 -15.921 3.177 1.00 0.00 C ATOM 552 C ASN A 40 2.465 -15.229 4.330 1.00 0.00 C ATOM 553 O ASN A 40 3.534 -15.657 4.765 1.00 0.00 O ATOM 554 CB ASN A 40 1.375 -17.341 3.584 1.00 0.00 C ATOM 555 CG ASN A 40 2.565 -18.281 3.581 1.00 0.00 C ATOM 556 OD1 ASN A 40 2.979 -18.772 2.531 1.00 0.00 O ATOM 557 ND2 ASN A 40 3.121 -18.536 4.760 1.00 0.00 N ATOM 0 H ASN A 40 2.788 -16.851 1.608 1.00 0.00 H new ATOM 0 HA ASN A 40 0.840 -15.367 2.948 1.00 0.00 H new ATOM 0 HB2 ASN A 40 0.932 -17.325 4.580 1.00 0.00 H new ATOM 0 HB3 ASN A 40 0.614 -17.722 2.903 1.00 0.00 H new ATOM 0 HD21 ASN A 40 3.925 -19.161 4.820 1.00 0.00 H new ATOM 0 HD22 ASN A 40 2.744 -18.107 5.605 1.00 0.00 H new ATOM 564 N ASN A 41 1.860 -14.155 4.814 1.00 0.00 N ATOM 565 CA ASN A 41 2.418 -13.382 5.914 1.00 0.00 C ATOM 566 C ASN A 41 3.769 -12.799 5.529 1.00 0.00 C ATOM 567 O ASN A 41 4.548 -12.395 6.393 1.00 0.00 O ATOM 568 CB ASN A 41 2.563 -14.257 7.160 1.00 0.00 C ATOM 569 CG ASN A 41 2.400 -13.467 8.443 1.00 0.00 C ATOM 570 OD1 ASN A 41 1.580 -12.552 8.522 1.00 0.00 O ATOM 571 ND2 ASN A 41 3.182 -13.816 9.458 1.00 0.00 N ATOM 0 H ASN A 41 0.974 -13.796 4.458 1.00 0.00 H new ATOM 0 HA ASN A 41 1.735 -12.562 6.135 1.00 0.00 H new ATOM 0 HB2 ASN A 41 1.819 -15.053 7.130 1.00 0.00 H new ATOM 0 HB3 ASN A 41 3.543 -14.735 7.153 1.00 0.00 H new ATOM 0 HD21 ASN A 41 3.117 -13.319 10.346 1.00 0.00 H new ATOM 0 HD22 ASN A 41 3.848 -14.581 9.349 1.00 0.00 H new ATOM 578 N LYS A 42 4.049 -12.761 4.228 1.00 0.00 N ATOM 579 CA LYS A 42 5.314 -12.235 3.748 1.00 0.00 C ATOM 580 C LYS A 42 5.264 -11.927 2.253 1.00 0.00 C ATOM 581 O LYS A 42 5.090 -12.823 1.433 1.00 0.00 O ATOM 582 CB LYS A 42 6.427 -13.242 4.033 1.00 0.00 C ATOM 583 CG LYS A 42 7.688 -12.616 4.606 1.00 0.00 C ATOM 584 CD LYS A 42 7.788 -12.837 6.107 1.00 0.00 C ATOM 585 CE LYS A 42 9.236 -12.924 6.561 1.00 0.00 C ATOM 586 NZ LYS A 42 9.429 -12.337 7.916 1.00 0.00 N ATOM 0 H LYS A 42 3.418 -13.087 3.496 1.00 0.00 H new ATOM 0 HA LYS A 42 5.514 -11.301 4.274 1.00 0.00 H new ATOM 0 HB2 LYS A 42 6.056 -13.992 4.731 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.678 -13.763 3.109 1.00 0.00 H new ATOM 0 HG2 LYS A 42 8.563 -13.043 4.115 1.00 0.00 H new ATOM 0 HG3 LYS A 42 7.694 -11.547 4.394 1.00 0.00 H new ATOM 0 HD2 LYS A 42 7.290 -12.021 6.630 1.00 0.00 H new ATOM 0 HD3 LYS A 42 7.265 -13.755 6.377 1.00 0.00 H new ATOM 0 HE2 LYS A 42 9.552 -13.967 6.569 1.00 0.00 H new ATOM 0 HE3 LYS A 42 9.873 -12.403 5.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 10.429 -12.416 8.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 9.152 -11.335 7.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 8.841 -12.850 8.604 1.00 0.00 H new ATOM 600 N TYR A 43 5.433 -10.655 1.908 1.00 0.00 N ATOM 601 CA TYR A 43 5.423 -10.228 0.513 1.00 0.00 C ATOM 602 C TYR A 43 6.847 -10.154 -0.020 1.00 0.00 C ATOM 603 O TYR A 43 7.573 -9.198 0.249 1.00 0.00 O ATOM 604 CB TYR A 43 4.746 -8.862 0.387 1.00 0.00 C ATOM 605 CG TYR A 43 4.291 -8.516 -1.015 1.00 0.00 C ATOM 606 CD1 TYR A 43 3.108 -9.030 -1.529 1.00 0.00 C ATOM 607 CD2 TYR A 43 5.040 -7.666 -1.819 1.00 0.00 C ATOM 608 CE1 TYR A 43 2.684 -8.709 -2.804 1.00 0.00 C ATOM 609 CE2 TYR A 43 4.624 -7.341 -3.096 1.00 0.00 C ATOM 610 CZ TYR A 43 3.446 -7.864 -3.583 1.00 0.00 C ATOM 611 OH TYR A 43 3.028 -7.540 -4.852 1.00 0.00 O ATOM 0 H TYR A 43 5.579 -9.899 2.577 1.00 0.00 H new ATOM 0 HA TYR A 43 4.863 -10.956 -0.074 1.00 0.00 H new ATOM 0 HB2 TYR A 43 3.883 -8.835 1.053 1.00 0.00 H new ATOM 0 HB3 TYR A 43 5.439 -8.094 0.731 1.00 0.00 H new ATOM 0 HD1 TYR A 43 2.509 -9.692 -0.922 1.00 0.00 H new ATOM 0 HD2 TYR A 43 5.963 -7.252 -1.440 1.00 0.00 H new ATOM 0 HE1 TYR A 43 1.761 -9.117 -3.188 1.00 0.00 H new ATOM 0 HE2 TYR A 43 5.219 -6.680 -3.709 1.00 0.00 H new ATOM 0 HH TYR A 43 2.227 -8.059 -5.075 1.00 0.00 H new ATOM 621 N ILE A 44 7.242 -11.176 -0.766 1.00 0.00 N ATOM 622 CA ILE A 44 8.584 -11.241 -1.328 1.00 0.00 C ATOM 623 C ILE A 44 8.704 -10.383 -2.582 1.00 0.00 C ATOM 624 O ILE A 44 8.221 -10.757 -3.650 1.00 0.00 O ATOM 625 CB ILE A 44 8.968 -12.692 -1.669 1.00 0.00 C ATOM 626 CG1 ILE A 44 8.614 -13.623 -0.506 1.00 0.00 C ATOM 627 CG2 ILE A 44 10.450 -12.786 -2.001 1.00 0.00 C ATOM 628 CD1 ILE A 44 9.251 -13.223 0.807 1.00 0.00 C ATOM 0 H ILE A 44 6.650 -11.974 -0.997 1.00 0.00 H new ATOM 0 HA ILE A 44 9.266 -10.855 -0.571 1.00 0.00 H new ATOM 0 HB ILE A 44 8.401 -13.006 -2.546 1.00 0.00 H new ATOM 0 HG12 ILE A 44 7.531 -13.642 -0.384 1.00 0.00 H new ATOM 0 HG13 ILE A 44 8.924 -14.637 -0.756 1.00 0.00 H new ATOM 0 HG21 ILE A 44 10.705 -13.819 -2.240 1.00 0.00 H new ATOM 0 HG22 ILE A 44 10.672 -12.150 -2.858 1.00 0.00 H new ATOM 0 HG23 ILE A 44 11.037 -12.457 -1.143 1.00 0.00 H new ATOM 0 HD11 ILE A 44 8.956 -13.928 1.584 1.00 0.00 H new ATOM 0 HD12 ILE A 44 10.336 -13.232 0.703 1.00 0.00 H new ATOM 0 HD13 ILE A 44 8.921 -12.221 1.081 1.00 0.00 H new ATOM 640 N ILE A 45 9.357 -9.231 -2.446 1.00 0.00 N ATOM 641 CA ILE A 45 9.542 -8.324 -3.573 1.00 0.00 C ATOM 642 C ILE A 45 10.820 -8.652 -4.334 1.00 0.00 C ATOM 643 O ILE A 45 11.860 -8.924 -3.733 1.00 0.00 O ATOM 644 CB ILE A 45 9.604 -6.848 -3.127 1.00 0.00 C ATOM 645 CG1 ILE A 45 8.626 -6.578 -1.983 1.00 0.00 C ATOM 646 CG2 ILE A 45 9.309 -5.933 -4.304 1.00 0.00 C ATOM 647 CD1 ILE A 45 8.831 -5.231 -1.324 1.00 0.00 C ATOM 0 H ILE A 45 9.765 -8.906 -1.570 1.00 0.00 H new ATOM 0 HA ILE A 45 8.676 -8.461 -4.220 1.00 0.00 H new ATOM 0 HB ILE A 45 10.611 -6.643 -2.764 1.00 0.00 H new ATOM 0 HG12 ILE A 45 7.607 -6.636 -2.365 1.00 0.00 H new ATOM 0 HG13 ILE A 45 8.731 -7.361 -1.232 1.00 0.00 H new ATOM 0 HG21 ILE A 45 9.355 -4.894 -3.978 1.00 0.00 H new ATOM 0 HG22 ILE A 45 10.047 -6.100 -5.089 1.00 0.00 H new ATOM 0 HG23 ILE A 45 8.313 -6.148 -4.691 1.00 0.00 H new ATOM 0 HD11 ILE A 45 8.104 -5.104 -0.521 1.00 0.00 H new ATOM 0 HD12 ILE A 45 9.839 -5.177 -0.913 1.00 0.00 H new ATOM 0 HD13 ILE A 45 8.697 -4.441 -2.063 1.00 0.00 H new ATOM 659 N GLN A 46 10.737 -8.623 -5.658 1.00 0.00 N ATOM 660 CA GLN A 46 11.885 -8.916 -6.501 1.00 0.00 C ATOM 661 C GLN A 46 11.838 -8.094 -7.782 1.00 0.00 C ATOM 662 O GLN A 46 10.771 -7.896 -8.364 1.00 0.00 O ATOM 663 CB GLN A 46 11.921 -10.405 -6.828 1.00 0.00 C ATOM 664 CG GLN A 46 12.396 -11.260 -5.668 1.00 0.00 C ATOM 665 CD GLN A 46 12.271 -12.745 -5.946 1.00 0.00 C ATOM 666 OE1 GLN A 46 12.148 -13.165 -7.096 1.00 0.00 O ATOM 667 NE2 GLN A 46 12.303 -13.550 -4.890 1.00 0.00 N ATOM 0 H GLN A 46 9.884 -8.399 -6.170 1.00 0.00 H new ATOM 0 HA GLN A 46 12.792 -8.648 -5.959 1.00 0.00 H new ATOM 0 HB2 GLN A 46 10.924 -10.729 -7.126 1.00 0.00 H new ATOM 0 HB3 GLN A 46 12.577 -10.567 -7.683 1.00 0.00 H new ATOM 0 HG2 GLN A 46 13.437 -11.022 -5.449 1.00 0.00 H new ATOM 0 HG3 GLN A 46 11.818 -11.011 -4.778 1.00 0.00 H new ATOM 0 HE21 GLN A 46 12.407 -13.159 -3.954 1.00 0.00 H new ATOM 0 HE22 GLN A 46 12.224 -14.559 -5.015 1.00 0.00 H new ATOM 676 N ASN A 47 12.997 -7.607 -8.213 1.00 0.00 N ATOM 677 CA ASN A 47 13.079 -6.796 -9.421 1.00 0.00 C ATOM 678 C ASN A 47 12.151 -5.588 -9.318 1.00 0.00 C ATOM 679 O ASN A 47 11.698 -5.050 -10.328 1.00 0.00 O ATOM 680 CB ASN A 47 12.715 -7.632 -10.650 1.00 0.00 C ATOM 681 CG ASN A 47 13.433 -7.165 -11.900 1.00 0.00 C ATOM 682 OD1 ASN A 47 14.633 -7.386 -12.060 1.00 0.00 O ATOM 683 ND2 ASN A 47 12.699 -6.513 -12.795 1.00 0.00 N ATOM 0 H ASN A 47 13.890 -7.760 -7.745 1.00 0.00 H new ATOM 0 HA ASN A 47 14.104 -6.442 -9.527 1.00 0.00 H new ATOM 0 HB2 ASN A 47 12.962 -8.677 -10.461 1.00 0.00 H new ATOM 0 HB3 ASN A 47 11.638 -7.583 -10.813 1.00 0.00 H new ATOM 0 HD21 ASN A 47 13.128 -6.173 -13.656 1.00 0.00 H new ATOM 0 HD22 ASN A 47 11.707 -6.352 -12.621 1.00 0.00 H new ATOM 690 N HIS A 48 11.870 -5.172 -8.085 1.00 0.00 N ATOM 691 CA HIS A 48 10.994 -4.034 -7.838 1.00 0.00 C ATOM 692 C HIS A 48 11.502 -2.785 -8.548 1.00 0.00 C ATOM 693 O HIS A 48 12.644 -2.738 -9.004 1.00 0.00 O ATOM 694 CB HIS A 48 10.885 -3.770 -6.335 1.00 0.00 C ATOM 695 CG HIS A 48 9.732 -2.891 -5.963 1.00 0.00 C ATOM 696 ND1 HIS A 48 8.439 -3.125 -6.381 1.00 0.00 N ATOM 697 CD2 HIS A 48 9.683 -1.771 -5.203 1.00 0.00 C ATOM 698 CE1 HIS A 48 7.645 -2.187 -5.896 1.00 0.00 C ATOM 699 NE2 HIS A 48 8.375 -1.355 -5.177 1.00 0.00 N ATOM 0 H HIS A 48 12.239 -5.609 -7.240 1.00 0.00 H new ATOM 0 HA HIS A 48 10.008 -4.275 -8.234 1.00 0.00 H new ATOM 0 HB2 HIS A 48 10.788 -4.722 -5.813 1.00 0.00 H new ATOM 0 HB3 HIS A 48 11.810 -3.309 -5.988 1.00 0.00 H new ATOM 0 HD1 HIS A 48 8.142 -3.901 -6.972 1.00 0.00 H new ATOM 0 HD2 HIS A 48 10.517 -1.294 -4.710 1.00 0.00 H new ATOM 0 HE1 HIS A 48 6.580 -2.114 -6.060 1.00 0.00 H new ATOM 707 N ASP A 49 10.644 -1.777 -8.636 1.00 0.00 N ATOM 708 CA ASP A 49 11.001 -0.523 -9.289 1.00 0.00 C ATOM 709 C ASP A 49 10.911 0.645 -8.313 1.00 0.00 C ATOM 710 O ASP A 49 9.967 0.739 -7.529 1.00 0.00 O ATOM 711 CB ASP A 49 10.088 -0.271 -10.490 1.00 0.00 C ATOM 712 CG ASP A 49 10.753 0.579 -11.554 1.00 0.00 C ATOM 713 OD1 ASP A 49 10.858 1.807 -11.354 1.00 0.00 O ATOM 714 OD2 ASP A 49 11.170 0.016 -12.589 1.00 0.00 O ATOM 0 H ASP A 49 9.695 -1.803 -8.263 1.00 0.00 H new ATOM 0 HA ASP A 49 12.031 -0.604 -9.635 1.00 0.00 H new ATOM 0 HB2 ASP A 49 9.792 -1.226 -10.924 1.00 0.00 H new ATOM 0 HB3 ASP A 49 9.176 0.222 -10.153 1.00 0.00 H new ATOM 719 N SER A 50 11.896 1.536 -8.370 1.00 0.00 N ATOM 720 CA SER A 50 11.925 2.702 -7.493 1.00 0.00 C ATOM 721 C SER A 50 10.650 3.522 -7.646 1.00 0.00 C ATOM 722 O SER A 50 10.573 4.412 -8.494 1.00 0.00 O ATOM 723 CB SER A 50 13.144 3.571 -7.808 1.00 0.00 C ATOM 724 OG SER A 50 14.299 2.776 -8.010 1.00 0.00 O ATOM 0 H SER A 50 12.685 1.473 -9.014 1.00 0.00 H new ATOM 0 HA SER A 50 11.993 2.353 -6.463 1.00 0.00 H new ATOM 0 HB2 SER A 50 12.949 4.167 -8.699 1.00 0.00 H new ATOM 0 HB3 SER A 50 13.318 4.269 -6.989 1.00 0.00 H new ATOM 0 HG SER A 50 15.064 3.355 -8.211 1.00 0.00 H new ATOM 730 N SER A 51 9.647 3.215 -6.829 1.00 0.00 N ATOM 731 CA SER A 51 8.377 3.928 -6.892 1.00 0.00 C ATOM 732 C SER A 51 7.429 3.481 -5.787 1.00 0.00 C ATOM 733 O SER A 51 7.741 2.571 -5.016 1.00 0.00 O ATOM 734 CB SER A 51 7.724 3.716 -8.259 1.00 0.00 C ATOM 735 OG SER A 51 8.425 2.747 -9.020 1.00 0.00 O ATOM 0 H SER A 51 9.689 2.482 -6.120 1.00 0.00 H new ATOM 0 HA SER A 51 8.582 4.989 -6.748 1.00 0.00 H new ATOM 0 HB2 SER A 51 6.690 3.398 -8.125 1.00 0.00 H new ATOM 0 HB3 SER A 51 7.699 4.660 -8.803 1.00 0.00 H new ATOM 0 HG SER A 51 7.984 2.631 -9.888 1.00 0.00 H new ATOM 741 N PRO A 52 6.257 4.138 -5.694 1.00 0.00 N ATOM 742 CA PRO A 52 5.251 3.842 -4.683 1.00 0.00 C ATOM 743 C PRO A 52 4.243 2.790 -5.125 1.00 0.00 C ATOM 744 O PRO A 52 4.252 2.337 -6.269 1.00 0.00 O ATOM 745 CB PRO A 52 4.555 5.187 -4.517 1.00 0.00 C ATOM 746 CG PRO A 52 4.613 5.814 -5.867 1.00 0.00 C ATOM 747 CD PRO A 52 5.826 5.246 -6.568 1.00 0.00 C ATOM 0 HA PRO A 52 5.695 3.432 -3.776 1.00 0.00 H new ATOM 0 HB2 PRO A 52 3.525 5.061 -4.183 1.00 0.00 H new ATOM 0 HB3 PRO A 52 5.058 5.804 -3.772 1.00 0.00 H new ATOM 0 HG2 PRO A 52 3.706 5.598 -6.431 1.00 0.00 H new ATOM 0 HG3 PRO A 52 4.688 6.898 -5.785 1.00 0.00 H new ATOM 0 HD2 PRO A 52 5.579 4.892 -7.569 1.00 0.00 H new ATOM 0 HD3 PRO A 52 6.610 5.995 -6.679 1.00 0.00 H new ATOM 755 N LEU A 53 3.364 2.425 -4.200 1.00 0.00 N ATOM 756 CA LEU A 53 2.321 1.445 -4.462 1.00 0.00 C ATOM 757 C LEU A 53 1.461 1.245 -3.225 1.00 0.00 C ATOM 758 O LEU A 53 1.945 1.331 -2.096 1.00 0.00 O ATOM 759 CB LEU A 53 2.922 0.106 -4.927 1.00 0.00 C ATOM 760 CG LEU A 53 3.179 -0.944 -3.840 1.00 0.00 C ATOM 761 CD1 LEU A 53 1.875 -1.545 -3.331 1.00 0.00 C ATOM 762 CD2 LEU A 53 4.084 -2.044 -4.373 1.00 0.00 C ATOM 0 H LEU A 53 3.355 2.799 -3.251 1.00 0.00 H new ATOM 0 HA LEU A 53 1.692 1.826 -5.266 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.253 -0.329 -5.669 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.866 0.313 -5.431 1.00 0.00 H new ATOM 0 HG LEU A 53 3.672 -0.446 -3.005 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.092 -2.286 -2.561 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.251 -0.757 -2.910 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.348 -2.023 -4.157 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.258 -2.783 -3.591 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.607 -2.525 -5.227 1.00 0.00 H new ATOM 0 HD23 LEU A 53 5.036 -1.613 -4.684 1.00 0.00 H new ATOM 774 N THR A 54 0.189 0.959 -3.445 1.00 0.00 N ATOM 775 CA THR A 54 -0.735 0.723 -2.349 1.00 0.00 C ATOM 776 C THR A 54 -0.856 -0.776 -2.110 1.00 0.00 C ATOM 777 O THR A 54 -1.468 -1.489 -2.903 1.00 0.00 O ATOM 778 CB THR A 54 -2.102 1.338 -2.668 1.00 0.00 C ATOM 779 OG1 THR A 54 -2.042 2.750 -2.591 1.00 0.00 O ATOM 780 CG2 THR A 54 -3.209 0.880 -1.740 1.00 0.00 C ATOM 0 H THR A 54 -0.228 0.885 -4.373 1.00 0.00 H new ATOM 0 HA THR A 54 -0.358 1.196 -1.443 1.00 0.00 H new ATOM 0 HB THR A 54 -2.337 0.999 -3.677 1.00 0.00 H new ATOM 0 HG1 THR A 54 -1.268 3.016 -2.052 1.00 0.00 H new ATOM 0 HG21 THR A 54 -4.146 1.357 -2.028 1.00 0.00 H new ATOM 0 HG22 THR A 54 -3.317 -0.202 -1.809 1.00 0.00 H new ATOM 0 HG23 THR A 54 -2.962 1.155 -0.715 1.00 0.00 H new ATOM 788 N VAL A 55 -0.258 -1.251 -1.024 1.00 0.00 N ATOM 789 CA VAL A 55 -0.294 -2.669 -0.705 1.00 0.00 C ATOM 790 C VAL A 55 -1.320 -2.968 0.374 1.00 0.00 C ATOM 791 O VAL A 55 -1.507 -2.191 1.310 1.00 0.00 O ATOM 792 CB VAL A 55 1.096 -3.196 -0.276 1.00 0.00 C ATOM 793 CG1 VAL A 55 1.426 -2.800 1.159 1.00 0.00 C ATOM 794 CG2 VAL A 55 1.167 -4.706 -0.451 1.00 0.00 C ATOM 0 H VAL A 55 0.254 -0.677 -0.354 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.588 -3.189 -1.617 1.00 0.00 H new ATOM 0 HB VAL A 55 1.843 -2.735 -0.922 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.409 -3.187 1.426 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.428 -1.713 1.245 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.677 -3.216 1.833 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.151 -5.062 -0.145 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.402 -5.180 0.164 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.999 -4.959 -1.498 1.00 0.00 H new ATOM 804 N SER A 56 -1.990 -4.099 0.226 1.00 0.00 N ATOM 805 CA SER A 56 -3.008 -4.510 1.174 1.00 0.00 C ATOM 806 C SER A 56 -2.692 -5.885 1.746 1.00 0.00 C ATOM 807 O SER A 56 -1.683 -6.498 1.398 1.00 0.00 O ATOM 808 CB SER A 56 -4.374 -4.525 0.496 1.00 0.00 C ATOM 809 OG SER A 56 -4.728 -3.235 0.029 1.00 0.00 O ATOM 0 H SER A 56 -1.845 -4.750 -0.546 1.00 0.00 H new ATOM 0 HA SER A 56 -3.024 -3.794 1.996 1.00 0.00 H new ATOM 0 HB2 SER A 56 -4.361 -5.226 -0.339 1.00 0.00 H new ATOM 0 HB3 SER A 56 -5.128 -4.880 1.199 1.00 0.00 H new ATOM 0 HG SER A 56 -5.681 -3.078 0.193 1.00 0.00 H new ATOM 815 N CYS A 57 -3.559 -6.360 2.627 1.00 0.00 N ATOM 816 CA CYS A 57 -3.376 -7.660 3.254 1.00 0.00 C ATOM 817 C CYS A 57 -4.684 -8.148 3.858 1.00 0.00 C ATOM 818 O CYS A 57 -5.446 -7.365 4.426 1.00 0.00 O ATOM 819 CB CYS A 57 -2.298 -7.570 4.336 1.00 0.00 C ATOM 820 SG CYS A 57 -1.018 -8.859 4.233 1.00 0.00 S ATOM 0 H CYS A 57 -4.399 -5.863 2.925 1.00 0.00 H new ATOM 0 HA CYS A 57 -3.058 -8.373 2.493 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -1.818 -6.593 4.273 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -2.776 -7.628 5.314 1.00 0.00 H new ATOM 825 N THR A 58 -4.947 -9.441 3.727 1.00 0.00 N ATOM 826 CA THR A 58 -6.173 -10.017 4.255 1.00 0.00 C ATOM 827 C THR A 58 -5.918 -11.369 4.912 1.00 0.00 C ATOM 828 O THR A 58 -5.803 -12.388 4.231 1.00 0.00 O ATOM 829 CB THR A 58 -7.192 -10.175 3.129 1.00 0.00 C ATOM 830 OG1 THR A 58 -7.506 -8.917 2.557 1.00 0.00 O ATOM 831 CG2 THR A 58 -8.491 -10.815 3.572 1.00 0.00 C ATOM 0 H THR A 58 -4.330 -10.107 3.262 1.00 0.00 H new ATOM 0 HA THR A 58 -6.563 -9.342 5.016 1.00 0.00 H new ATOM 0 HB THR A 58 -6.715 -10.834 2.403 1.00 0.00 H new ATOM 0 HG1 THR A 58 -8.159 -9.039 1.837 1.00 0.00 H new ATOM 0 HG21 THR A 58 -9.166 -10.895 2.720 1.00 0.00 H new ATOM 0 HG22 THR A 58 -8.289 -11.810 3.970 1.00 0.00 H new ATOM 0 HG23 THR A 58 -8.954 -10.202 4.345 1.00 0.00 H new ATOM 839 N ALA A 59 -5.851 -11.375 6.239 1.00 0.00 N ATOM 840 CA ALA A 59 -5.634 -12.608 6.982 1.00 0.00 C ATOM 841 C ALA A 59 -6.877 -12.967 7.787 1.00 0.00 C ATOM 842 O ALA A 59 -7.150 -12.365 8.826 1.00 0.00 O ATOM 843 CB ALA A 59 -4.431 -12.477 7.901 1.00 0.00 C ATOM 0 H ALA A 59 -5.944 -10.542 6.820 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.436 -13.408 6.268 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.287 -13.409 8.447 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -3.542 -12.262 7.308 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.600 -11.665 8.608 1.00 0.00 H new ATOM 849 N GLY A 60 -7.636 -13.941 7.298 1.00 0.00 N ATOM 850 CA GLY A 60 -8.846 -14.345 7.988 1.00 0.00 C ATOM 851 C GLY A 60 -9.890 -13.246 7.993 1.00 0.00 C ATOM 852 O GLY A 60 -10.564 -13.016 6.989 1.00 0.00 O ATOM 0 H GLY A 60 -7.436 -14.456 6.440 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -9.257 -15.234 7.509 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -8.604 -14.620 9.015 1.00 0.00 H new ATOM 856 N ASP A 61 -10.021 -12.562 9.125 1.00 0.00 N ATOM 857 CA ASP A 61 -10.987 -11.477 9.255 1.00 0.00 C ATOM 858 C ASP A 61 -10.282 -10.150 9.526 1.00 0.00 C ATOM 859 O ASP A 61 -10.840 -9.262 10.171 1.00 0.00 O ATOM 860 CB ASP A 61 -11.978 -11.781 10.380 1.00 0.00 C ATOM 861 CG ASP A 61 -13.380 -11.303 10.060 1.00 0.00 C ATOM 862 OD1 ASP A 61 -13.597 -10.073 10.034 1.00 0.00 O ATOM 863 OD2 ASP A 61 -14.262 -12.158 9.833 1.00 0.00 O ATOM 0 H ASP A 61 -9.471 -12.740 9.965 1.00 0.00 H new ATOM 0 HA ASP A 61 -11.531 -11.393 8.314 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -11.996 -12.855 10.564 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -11.636 -11.306 11.300 1.00 0.00 H new ATOM 868 N GLN A 62 -9.053 -10.022 9.033 1.00 0.00 N ATOM 869 CA GLN A 62 -8.275 -8.803 9.227 1.00 0.00 C ATOM 870 C GLN A 62 -8.108 -8.040 7.915 1.00 0.00 C ATOM 871 O GLN A 62 -8.092 -8.634 6.836 1.00 0.00 O ATOM 872 CB GLN A 62 -6.902 -9.140 9.810 1.00 0.00 C ATOM 873 CG GLN A 62 -6.883 -9.197 11.329 1.00 0.00 C ATOM 874 CD GLN A 62 -6.492 -7.873 11.957 1.00 0.00 C ATOM 875 OE1 GLN A 62 -7.429 -6.933 11.989 1.00 0.00 O flip ATOM 876 NE2 GLN A 62 -5.360 -7.698 12.409 1.00 0.00 N flip ATOM 0 H GLN A 62 -8.575 -10.747 8.497 1.00 0.00 H new ATOM 0 HA GLN A 62 -8.817 -8.167 9.926 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -6.575 -10.102 9.415 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -6.181 -8.395 9.474 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -7.869 -9.489 11.690 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -6.184 -9.968 11.651 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -4.671 -8.449 12.363 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -5.111 -6.802 12.829 1.00 0.00 H new ATOM 885 N GLU A 63 -7.983 -6.719 8.017 1.00 0.00 N ATOM 886 CA GLU A 63 -7.816 -5.869 6.842 1.00 0.00 C ATOM 887 C GLU A 63 -6.747 -4.810 7.087 1.00 0.00 C ATOM 888 O GLU A 63 -6.998 -3.803 7.750 1.00 0.00 O ATOM 889 CB GLU A 63 -9.141 -5.199 6.474 1.00 0.00 C ATOM 890 CG GLU A 63 -10.344 -6.122 6.585 1.00 0.00 C ATOM 891 CD GLU A 63 -11.644 -5.431 6.223 1.00 0.00 C ATOM 892 OE1 GLU A 63 -11.759 -4.947 5.077 1.00 0.00 O ATOM 893 OE2 GLU A 63 -12.547 -5.375 7.084 1.00 0.00 O ATOM 0 H GLU A 63 -7.994 -6.214 8.903 1.00 0.00 H new ATOM 0 HA GLU A 63 -7.496 -6.499 6.012 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -9.295 -4.337 7.123 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -9.076 -4.822 5.453 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -10.199 -6.982 5.931 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -10.411 -6.504 7.604 1.00 0.00 H new ATOM 900 N HIS A 64 -5.552 -5.044 6.553 1.00 0.00 N ATOM 901 CA HIS A 64 -4.444 -4.110 6.719 1.00 0.00 C ATOM 902 C HIS A 64 -3.918 -3.632 5.368 1.00 0.00 C ATOM 903 O HIS A 64 -3.837 -4.402 4.412 1.00 0.00 O ATOM 904 CB HIS A 64 -3.313 -4.766 7.514 1.00 0.00 C ATOM 905 CG HIS A 64 -3.592 -4.860 8.982 1.00 0.00 C ATOM 906 ND1 HIS A 64 -2.945 -4.085 9.922 1.00 0.00 N ATOM 907 CD2 HIS A 64 -4.454 -5.644 9.673 1.00 0.00 C ATOM 908 CE1 HIS A 64 -3.397 -4.388 11.126 1.00 0.00 C ATOM 909 NE2 HIS A 64 -4.313 -5.330 11.002 1.00 0.00 N ATOM 0 H HIS A 64 -5.326 -5.872 6.002 1.00 0.00 H new ATOM 0 HA HIS A 64 -4.815 -3.244 7.268 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -3.136 -5.767 7.121 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -2.395 -4.197 7.362 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -2.229 -3.387 9.719 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -5.127 -6.379 9.256 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -3.072 -3.941 12.054 1.00 0.00 H new ATOM 917 N THR A 65 -3.559 -2.354 5.303 1.00 0.00 N ATOM 918 CA THR A 65 -3.034 -1.761 4.077 1.00 0.00 C ATOM 919 C THR A 65 -1.868 -0.829 4.386 1.00 0.00 C ATOM 920 O THR A 65 -1.804 -0.236 5.462 1.00 0.00 O ATOM 921 CB THR A 65 -4.129 -0.988 3.340 1.00 0.00 C ATOM 922 OG1 THR A 65 -5.025 -0.387 4.257 1.00 0.00 O ATOM 923 CG2 THR A 65 -4.946 -1.846 2.400 1.00 0.00 C ATOM 0 H THR A 65 -3.622 -1.706 6.088 1.00 0.00 H new ATOM 0 HA THR A 65 -2.680 -2.570 3.438 1.00 0.00 H new ATOM 0 HB THR A 65 -3.600 -0.238 2.752 1.00 0.00 H new ATOM 0 HG1 THR A 65 -5.800 -0.034 3.773 1.00 0.00 H new ATOM 0 HG21 THR A 65 -5.703 -1.232 1.912 1.00 0.00 H new ATOM 0 HG22 THR A 65 -4.292 -2.283 1.646 1.00 0.00 H new ATOM 0 HG23 THR A 65 -5.433 -2.642 2.964 1.00 0.00 H new ATOM 931 N MET A 66 -0.947 -0.703 3.438 1.00 0.00 N ATOM 932 CA MET A 66 0.212 0.165 3.622 1.00 0.00 C ATOM 933 C MET A 66 0.756 0.655 2.286 1.00 0.00 C ATOM 934 O MET A 66 0.527 0.039 1.245 1.00 0.00 O ATOM 935 CB MET A 66 1.313 -0.565 4.394 1.00 0.00 C ATOM 936 CG MET A 66 2.472 0.338 4.788 1.00 0.00 C ATOM 937 SD MET A 66 3.382 -0.276 6.218 1.00 0.00 S ATOM 938 CE MET A 66 2.118 -0.204 7.486 1.00 0.00 C ATOM 0 H MET A 66 -0.978 -1.186 2.540 1.00 0.00 H new ATOM 0 HA MET A 66 -0.114 1.031 4.198 1.00 0.00 H new ATOM 0 HB2 MET A 66 0.884 -1.007 5.293 1.00 0.00 H new ATOM 0 HB3 MET A 66 1.692 -1.385 3.784 1.00 0.00 H new ATOM 0 HG2 MET A 66 3.154 0.435 3.943 1.00 0.00 H new ATOM 0 HG3 MET A 66 2.091 1.336 5.007 1.00 0.00 H new ATOM 0 HE1 MET A 66 2.386 0.552 8.224 1.00 0.00 H new ATOM 0 HE2 MET A 66 1.162 0.055 7.032 1.00 0.00 H new ATOM 0 HE3 MET A 66 2.036 -1.175 7.974 1.00 0.00 H new ATOM 948 N TYR A 67 1.480 1.768 2.323 1.00 0.00 N ATOM 949 CA TYR A 67 2.061 2.337 1.115 1.00 0.00 C ATOM 950 C TYR A 67 3.522 1.927 0.977 1.00 0.00 C ATOM 951 O TYR A 67 4.316 2.095 1.902 1.00 0.00 O ATOM 952 CB TYR A 67 1.938 3.861 1.121 1.00 0.00 C ATOM 953 CG TYR A 67 1.569 4.427 -0.228 1.00 0.00 C ATOM 954 CD1 TYR A 67 0.276 4.305 -0.717 1.00 0.00 C ATOM 955 CD2 TYR A 67 2.513 5.072 -1.019 1.00 0.00 C ATOM 956 CE1 TYR A 67 -0.066 4.808 -1.956 1.00 0.00 C ATOM 957 CE2 TYR A 67 2.179 5.576 -2.258 1.00 0.00 C ATOM 958 CZ TYR A 67 0.889 5.441 -2.723 1.00 0.00 C ATOM 959 OH TYR A 67 0.555 5.937 -3.961 1.00 0.00 O ATOM 0 H TYR A 67 1.678 2.293 3.175 1.00 0.00 H new ATOM 0 HA TYR A 67 1.509 1.949 0.259 1.00 0.00 H new ATOM 0 HB2 TYR A 67 1.185 4.157 1.851 1.00 0.00 H new ATOM 0 HB3 TYR A 67 2.884 4.295 1.445 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -0.474 3.809 -0.119 1.00 0.00 H new ATOM 0 HD2 TYR A 67 3.525 5.180 -0.657 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -1.077 4.706 -2.323 1.00 0.00 H new ATOM 0 HE2 TYR A 67 2.924 6.074 -2.861 1.00 0.00 H new ATOM 0 HH TYR A 67 1.126 6.706 -4.170 1.00 0.00 H new ATOM 969 N LEU A 68 3.866 1.380 -0.183 1.00 0.00 N ATOM 970 CA LEU A 68 5.228 0.933 -0.443 1.00 0.00 C ATOM 971 C LEU A 68 5.883 1.766 -1.541 1.00 0.00 C ATOM 972 O LEU A 68 5.578 1.600 -2.722 1.00 0.00 O ATOM 973 CB LEU A 68 5.225 -0.545 -0.844 1.00 0.00 C ATOM 974 CG LEU A 68 6.560 -1.087 -1.358 1.00 0.00 C ATOM 975 CD1 LEU A 68 6.727 -2.547 -0.971 1.00 0.00 C ATOM 976 CD2 LEU A 68 6.662 -0.915 -2.868 1.00 0.00 C ATOM 0 H LEU A 68 3.220 1.236 -0.959 1.00 0.00 H new ATOM 0 HA LEU A 68 5.806 1.061 0.472 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.919 -1.138 0.018 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.470 -0.693 -1.616 1.00 0.00 H new ATOM 0 HG LEU A 68 7.365 -0.516 -0.895 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.682 -2.916 -1.345 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.702 -2.641 0.115 1.00 0.00 H new ATOM 0 HD13 LEU A 68 5.917 -3.133 -1.405 1.00 0.00 H new ATOM 0 HD21 LEU A 68 7.618 -1.306 -3.215 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.850 -1.459 -3.352 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.590 0.143 -3.119 1.00 0.00 H new ATOM 988 N ASN A 69 6.795 2.651 -1.148 1.00 0.00 N ATOM 989 CA ASN A 69 7.499 3.492 -2.109 1.00 0.00 C ATOM 990 C ASN A 69 8.993 3.490 -1.835 1.00 0.00 C ATOM 991 O ASN A 69 9.469 4.154 -0.914 1.00 0.00 O ATOM 992 CB ASN A 69 6.965 4.922 -2.075 1.00 0.00 C ATOM 993 CG ASN A 69 6.877 5.474 -0.668 1.00 0.00 C ATOM 994 OD1 ASN A 69 7.684 6.313 -0.269 1.00 0.00 O ATOM 995 ND2 ASN A 69 5.895 5.004 0.092 1.00 0.00 N ATOM 0 H ASN A 69 7.062 2.803 -0.176 1.00 0.00 H new ATOM 0 HA ASN A 69 7.325 3.079 -3.102 1.00 0.00 H new ATOM 0 HB2 ASN A 69 7.613 5.563 -2.673 1.00 0.00 H new ATOM 0 HB3 ASN A 69 5.977 4.949 -2.535 1.00 0.00 H new ATOM 0 HD21 ASN A 69 5.786 5.338 1.049 1.00 0.00 H new ATOM 0 HD22 ASN A 69 5.249 4.309 -0.282 1.00 0.00 H new ATOM 1002 N ALA A 70 9.729 2.737 -2.640 1.00 0.00 N ATOM 1003 CA ALA A 70 11.172 2.646 -2.483 1.00 0.00 C ATOM 1004 C ALA A 70 11.815 1.952 -3.678 1.00 0.00 C ATOM 1005 O ALA A 70 11.128 1.540 -4.615 1.00 0.00 O ATOM 1006 CB ALA A 70 11.513 1.924 -1.189 1.00 0.00 C ATOM 0 H ALA A 70 9.351 2.181 -3.407 1.00 0.00 H new ATOM 0 HA ALA A 70 11.575 3.657 -2.435 1.00 0.00 H new ATOM 0 HB1 ALA A 70 12.596 1.862 -1.082 1.00 0.00 H new ATOM 0 HB2 ALA A 70 11.096 2.473 -0.345 1.00 0.00 H new ATOM 0 HB3 ALA A 70 11.092 0.919 -1.211 1.00 0.00 H new ATOM 1012 N LYS A 71 13.139 1.827 -3.636 1.00 0.00 N ATOM 1013 CA LYS A 71 13.885 1.181 -4.710 1.00 0.00 C ATOM 1014 C LYS A 71 14.686 -0.004 -4.175 1.00 0.00 C ATOM 1015 O LYS A 71 15.181 0.029 -3.048 1.00 0.00 O ATOM 1016 CB LYS A 71 14.825 2.187 -5.380 1.00 0.00 C ATOM 1017 CG LYS A 71 15.965 2.650 -4.486 1.00 0.00 C ATOM 1018 CD LYS A 71 16.430 4.049 -4.857 1.00 0.00 C ATOM 1019 CE LYS A 71 17.723 4.412 -4.144 1.00 0.00 C ATOM 1020 NZ LYS A 71 17.793 5.865 -3.825 1.00 0.00 N ATOM 0 H LYS A 71 13.718 2.166 -2.867 1.00 0.00 H new ATOM 0 HA LYS A 71 13.172 0.813 -5.448 1.00 0.00 H new ATOM 0 HB2 LYS A 71 15.242 1.737 -6.281 1.00 0.00 H new ATOM 0 HB3 LYS A 71 14.247 3.056 -5.696 1.00 0.00 H new ATOM 0 HG2 LYS A 71 15.641 2.637 -3.445 1.00 0.00 H new ATOM 0 HG3 LYS A 71 16.800 1.954 -4.569 1.00 0.00 H new ATOM 0 HD2 LYS A 71 16.578 4.111 -5.935 1.00 0.00 H new ATOM 0 HD3 LYS A 71 15.656 4.772 -4.599 1.00 0.00 H new ATOM 0 HE2 LYS A 71 17.804 3.834 -3.223 1.00 0.00 H new ATOM 0 HE3 LYS A 71 18.572 4.136 -4.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 18.689 6.071 -3.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 17.741 6.417 -4.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 16.997 6.123 -3.207 1.00 0.00 H new ATOM 1034 N VAL A 72 14.813 -1.048 -4.988 1.00 0.00 N ATOM 1035 CA VAL A 72 15.558 -2.238 -4.590 1.00 0.00 C ATOM 1036 C VAL A 72 16.972 -2.213 -5.157 1.00 0.00 C ATOM 1037 O VAL A 72 17.193 -1.767 -6.283 1.00 0.00 O ATOM 1038 CB VAL A 72 14.857 -3.532 -5.050 1.00 0.00 C ATOM 1039 CG1 VAL A 72 13.660 -3.841 -4.163 1.00 0.00 C ATOM 1040 CG2 VAL A 72 14.440 -3.427 -6.509 1.00 0.00 C ATOM 0 H VAL A 72 14.411 -1.095 -5.924 1.00 0.00 H new ATOM 0 HA VAL A 72 15.601 -2.230 -3.501 1.00 0.00 H new ATOM 0 HB VAL A 72 15.565 -4.356 -4.959 1.00 0.00 H new ATOM 0 HG11 VAL A 72 13.180 -4.758 -4.506 1.00 0.00 H new ATOM 0 HG12 VAL A 72 13.994 -3.969 -3.133 1.00 0.00 H new ATOM 0 HG13 VAL A 72 12.947 -3.018 -4.214 1.00 0.00 H new ATOM 0 HG21 VAL A 72 13.947 -4.350 -6.814 1.00 0.00 H new ATOM 0 HG22 VAL A 72 13.752 -2.591 -6.631 1.00 0.00 H new ATOM 0 HG23 VAL A 72 15.322 -3.265 -7.129 1.00 0.00 H new ATOM 1050 N GLY A 73 17.928 -2.696 -4.370 1.00 0.00 N ATOM 1051 CA GLY A 73 19.310 -2.720 -4.812 1.00 0.00 C ATOM 1052 C GLY A 73 20.275 -2.292 -3.723 1.00 0.00 C ATOM 1053 O GLY A 73 20.607 -3.077 -2.835 1.00 0.00 O ATOM 0 H GLY A 73 17.770 -3.071 -3.435 1.00 0.00 H new ATOM 0 HA2 GLY A 73 19.565 -3.727 -5.144 1.00 0.00 H new ATOM 0 HA3 GLY A 73 19.424 -2.062 -5.673 1.00 0.00 H new ATOM 1562 N MET A 109 -7.384 0.309 -4.291 1.00 0.00 N ATOM 1563 CA MET A 109 -7.260 1.723 -3.976 1.00 0.00 C ATOM 1564 C MET A 109 -5.841 2.210 -4.247 1.00 0.00 C ATOM 1565 O MET A 109 -4.888 1.431 -4.219 1.00 0.00 O ATOM 1566 CB MET A 109 -7.643 1.963 -2.509 1.00 0.00 C ATOM 1567 CG MET A 109 -6.628 2.769 -1.714 1.00 0.00 C ATOM 1568 SD MET A 109 -7.259 3.293 -0.109 1.00 0.00 S ATOM 1569 CE MET A 109 -7.019 5.064 -0.220 1.00 0.00 C ATOM 0 HA MET A 109 -7.938 2.288 -4.615 1.00 0.00 H new ATOM 0 HB2 MET A 109 -8.602 2.479 -2.477 1.00 0.00 H new ATOM 0 HB3 MET A 109 -7.784 0.998 -2.021 1.00 0.00 H new ATOM 0 HG2 MET A 109 -5.729 2.171 -1.568 1.00 0.00 H new ATOM 0 HG3 MET A 109 -6.337 3.648 -2.290 1.00 0.00 H new ATOM 0 HE1 MET A 109 -6.352 5.392 0.578 1.00 0.00 H new ATOM 0 HE2 MET A 109 -6.578 5.312 -1.186 1.00 0.00 H new ATOM 0 HE3 MET A 109 -7.980 5.568 -0.120 1.00 0.00 H new ATOM 1579 N SER A 110 -5.711 3.504 -4.496 1.00 0.00 N ATOM 1580 CA SER A 110 -4.414 4.104 -4.755 1.00 0.00 C ATOM 1581 C SER A 110 -4.422 5.572 -4.349 1.00 0.00 C ATOM 1582 O SER A 110 -5.457 6.104 -3.948 1.00 0.00 O ATOM 1583 CB SER A 110 -4.037 3.977 -6.231 1.00 0.00 C ATOM 1584 OG SER A 110 -5.165 3.640 -7.021 1.00 0.00 O ATOM 0 H SER A 110 -6.492 4.160 -4.524 1.00 0.00 H new ATOM 0 HA SER A 110 -3.671 3.571 -4.162 1.00 0.00 H new ATOM 0 HB2 SER A 110 -3.611 4.917 -6.582 1.00 0.00 H new ATOM 0 HB3 SER A 110 -3.267 3.215 -6.348 1.00 0.00 H new ATOM 0 HG SER A 110 -4.896 3.567 -7.961 1.00 0.00 H new ATOM 1590 N VAL A 111 -3.270 6.227 -4.448 1.00 0.00 N ATOM 1591 CA VAL A 111 -3.177 7.633 -4.080 1.00 0.00 C ATOM 1592 C VAL A 111 -2.601 8.479 -5.213 1.00 0.00 C ATOM 1593 O VAL A 111 -1.722 8.042 -5.956 1.00 0.00 O ATOM 1594 CB VAL A 111 -2.355 7.837 -2.781 1.00 0.00 C ATOM 1595 CG1 VAL A 111 -2.521 6.656 -1.831 1.00 0.00 C ATOM 1596 CG2 VAL A 111 -0.881 8.085 -3.075 1.00 0.00 C ATOM 0 H VAL A 111 -2.398 5.812 -4.776 1.00 0.00 H new ATOM 0 HA VAL A 111 -4.196 7.971 -3.890 1.00 0.00 H new ATOM 0 HB VAL A 111 -2.749 8.728 -2.292 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -1.933 6.829 -0.930 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -3.572 6.549 -1.563 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -2.177 5.745 -2.320 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -0.341 8.223 -2.138 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -0.468 7.230 -3.610 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -0.778 8.980 -3.688 1.00 0.00 H new ATOM 1606 N LYS A 112 -3.120 9.695 -5.332 1.00 0.00 N ATOM 1607 CA LYS A 112 -2.693 10.631 -6.361 1.00 0.00 C ATOM 1608 C LYS A 112 -1.642 11.599 -5.823 1.00 0.00 C ATOM 1609 O LYS A 112 -1.455 11.720 -4.612 1.00 0.00 O ATOM 1610 CB LYS A 112 -3.903 11.416 -6.870 1.00 0.00 C ATOM 1611 CG LYS A 112 -3.922 11.599 -8.379 1.00 0.00 C ATOM 1612 CD LYS A 112 -3.426 12.980 -8.780 1.00 0.00 C ATOM 1613 CE LYS A 112 -2.703 12.945 -10.117 1.00 0.00 C ATOM 1614 NZ LYS A 112 -1.226 12.862 -9.947 1.00 0.00 N ATOM 0 H LYS A 112 -3.848 10.059 -4.717 1.00 0.00 H new ATOM 0 HA LYS A 112 -2.247 10.064 -7.178 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -4.814 10.901 -6.564 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -3.915 12.396 -6.394 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -3.298 10.837 -8.847 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -4.936 11.453 -8.751 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -4.269 13.668 -8.839 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -2.755 13.364 -8.012 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -3.051 12.089 -10.695 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -2.953 13.839 -10.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -0.759 13.127 -10.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -0.926 13.512 -9.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -0.960 11.889 -9.692 1.00 0.00 H new ATOM 1628 N GLU A 113 -0.967 12.294 -6.734 1.00 0.00 N ATOM 1629 CA GLU A 113 0.056 13.262 -6.356 1.00 0.00 C ATOM 1630 C GLU A 113 -0.170 14.585 -7.076 1.00 0.00 C ATOM 1631 O GLU A 113 -0.045 14.673 -8.297 1.00 0.00 O ATOM 1632 CB GLU A 113 1.453 12.720 -6.663 1.00 0.00 C ATOM 1633 CG GLU A 113 2.151 12.127 -5.451 1.00 0.00 C ATOM 1634 CD GLU A 113 3.662 12.153 -5.577 1.00 0.00 C ATOM 1635 OE1 GLU A 113 4.176 12.951 -6.389 1.00 0.00 O ATOM 1636 OE2 GLU A 113 4.331 11.377 -4.864 1.00 0.00 O ATOM 0 H GLU A 113 -1.111 12.204 -7.740 1.00 0.00 H new ATOM 0 HA GLU A 113 -0.017 13.434 -5.282 1.00 0.00 H new ATOM 0 HB2 GLU A 113 1.376 11.957 -7.438 1.00 0.00 H new ATOM 0 HB3 GLU A 113 2.066 13.525 -7.068 1.00 0.00 H new ATOM 0 HG2 GLU A 113 1.855 12.680 -4.559 1.00 0.00 H new ATOM 0 HG3 GLU A 113 1.819 11.098 -5.313 1.00 0.00 H new ATOM 1643 N VAL A 114 -0.515 15.606 -6.304 1.00 0.00 N ATOM 1644 CA VAL A 114 -0.779 16.932 -6.848 1.00 0.00 C ATOM 1645 C VAL A 114 0.206 17.954 -6.290 1.00 0.00 C ATOM 1646 O VAL A 114 1.109 17.608 -5.532 1.00 0.00 O ATOM 1647 CB VAL A 114 -2.220 17.403 -6.549 1.00 0.00 C ATOM 1648 CG1 VAL A 114 -2.701 18.387 -7.605 1.00 0.00 C ATOM 1649 CG2 VAL A 114 -3.174 16.223 -6.459 1.00 0.00 C ATOM 0 H VAL A 114 -0.619 15.541 -5.291 1.00 0.00 H new ATOM 0 HA VAL A 114 -0.657 16.857 -7.928 1.00 0.00 H new ATOM 0 HB VAL A 114 -2.207 17.909 -5.584 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -3.718 18.703 -7.372 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -2.044 19.257 -7.618 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -2.686 17.907 -8.583 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -4.181 16.584 -6.248 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -3.174 15.682 -7.405 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -2.853 15.556 -5.659 1.00 0.00 H new ATOM 1659 N SER A 115 0.023 19.209 -6.694 1.00 0.00 N ATOM 1660 CA SER A 115 0.873 20.325 -6.279 1.00 0.00 C ATOM 1661 C SER A 115 1.456 20.155 -4.874 1.00 0.00 C ATOM 1662 O SER A 115 0.906 20.660 -3.895 1.00 0.00 O ATOM 1663 CB SER A 115 0.046 21.605 -6.323 1.00 0.00 C ATOM 1664 OG SER A 115 0.817 22.704 -6.777 1.00 0.00 O ATOM 0 H SER A 115 -0.729 19.484 -7.326 1.00 0.00 H new ATOM 0 HA SER A 115 1.717 20.364 -6.967 1.00 0.00 H new ATOM 0 HB2 SER A 115 -0.811 21.464 -6.981 1.00 0.00 H new ATOM 0 HB3 SER A 115 -0.347 21.820 -5.329 1.00 0.00 H new ATOM 0 HG SER A 115 0.259 23.509 -6.796 1.00 0.00 H new ATOM 1670 N GLY A 116 2.584 19.460 -4.792 1.00 0.00 N ATOM 1671 CA GLY A 116 3.245 19.254 -3.515 1.00 0.00 C ATOM 1672 C GLY A 116 2.345 18.590 -2.498 1.00 0.00 C ATOM 1673 O GLY A 116 2.517 18.772 -1.293 1.00 0.00 O ATOM 0 H GLY A 116 3.055 19.033 -5.590 1.00 0.00 H new ATOM 0 HA2 GLY A 116 4.134 18.641 -3.664 1.00 0.00 H new ATOM 0 HA3 GLY A 116 3.582 20.214 -3.125 1.00 0.00 H new ATOM 1677 N LYS A 117 1.366 17.843 -2.982 1.00 0.00 N ATOM 1678 CA LYS A 117 0.420 17.175 -2.105 1.00 0.00 C ATOM 1679 C LYS A 117 0.219 15.721 -2.506 1.00 0.00 C ATOM 1680 O LYS A 117 0.681 15.283 -3.560 1.00 0.00 O ATOM 1681 CB LYS A 117 -0.916 17.910 -2.154 1.00 0.00 C ATOM 1682 CG LYS A 117 -0.898 19.263 -1.463 1.00 0.00 C ATOM 1683 CD LYS A 117 -2.118 20.091 -1.833 1.00 0.00 C ATOM 1684 CE LYS A 117 -2.178 20.373 -3.329 1.00 0.00 C ATOM 1685 NZ LYS A 117 -3.499 20.924 -3.739 1.00 0.00 N ATOM 0 H LYS A 117 1.206 17.684 -3.977 1.00 0.00 H new ATOM 0 HA LYS A 117 0.822 17.191 -1.092 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -1.206 18.048 -3.196 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -1.680 17.286 -1.691 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -0.867 19.121 -0.383 1.00 0.00 H new ATOM 0 HG3 LYS A 117 0.008 19.803 -1.740 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -3.022 19.564 -1.526 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -2.097 21.034 -1.286 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -1.392 21.079 -3.597 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -1.982 19.453 -3.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -3.783 20.506 -4.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -4.210 20.695 -3.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -3.428 21.957 -3.840 1.00 0.00 H new ATOM 1699 N VAL A 118 -0.486 14.980 -1.659 1.00 0.00 N ATOM 1700 CA VAL A 118 -0.766 13.578 -1.920 1.00 0.00 C ATOM 1701 C VAL A 118 -2.206 13.236 -1.551 1.00 0.00 C ATOM 1702 O VAL A 118 -2.572 13.208 -0.376 1.00 0.00 O ATOM 1703 CB VAL A 118 0.194 12.652 -1.149 1.00 0.00 C ATOM 1704 CG1 VAL A 118 1.634 12.911 -1.564 1.00 0.00 C ATOM 1705 CG2 VAL A 118 0.025 12.833 0.351 1.00 0.00 C ATOM 0 H VAL A 118 -0.874 15.331 -0.783 1.00 0.00 H new ATOM 0 HA VAL A 118 -0.617 13.417 -2.988 1.00 0.00 H new ATOM 0 HB VAL A 118 -0.052 11.619 -1.396 1.00 0.00 H new ATOM 0 HG11 VAL A 118 2.298 12.248 -1.009 1.00 0.00 H new ATOM 0 HG12 VAL A 118 1.744 12.724 -2.632 1.00 0.00 H new ATOM 0 HG13 VAL A 118 1.894 13.947 -1.349 1.00 0.00 H new ATOM 0 HG21 VAL A 118 0.712 12.170 0.877 1.00 0.00 H new ATOM 0 HG22 VAL A 118 0.241 13.867 0.619 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -1.000 12.592 0.633 1.00 0.00 H new ATOM 1715 N PHE A 119 -3.015 12.980 -2.568 1.00 0.00 N ATOM 1716 CA PHE A 119 -4.418 12.639 -2.376 1.00 0.00 C ATOM 1717 C PHE A 119 -4.647 11.174 -2.704 1.00 0.00 C ATOM 1718 O PHE A 119 -3.724 10.483 -3.126 1.00 0.00 O ATOM 1719 CB PHE A 119 -5.300 13.519 -3.260 1.00 0.00 C ATOM 1720 CG PHE A 119 -4.982 14.981 -3.143 1.00 0.00 C ATOM 1721 CD1 PHE A 119 -3.799 15.479 -3.657 1.00 0.00 C ATOM 1722 CD2 PHE A 119 -5.862 15.857 -2.526 1.00 0.00 C ATOM 1723 CE1 PHE A 119 -3.493 16.820 -3.561 1.00 0.00 C ATOM 1724 CE2 PHE A 119 -5.562 17.206 -2.428 1.00 0.00 C ATOM 1725 CZ PHE A 119 -4.372 17.688 -2.949 1.00 0.00 C ATOM 0 H PHE A 119 -2.721 13.002 -3.544 1.00 0.00 H new ATOM 0 HA PHE A 119 -4.683 12.813 -1.333 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -5.184 13.211 -4.299 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -6.345 13.359 -2.994 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -3.105 14.808 -4.141 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -6.790 15.484 -2.118 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -2.563 17.191 -3.966 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -6.254 17.881 -1.946 1.00 0.00 H new ATOM 0 HZ PHE A 119 -4.134 18.739 -2.876 1.00 0.00 H new ATOM 1735 N LEU A 120 -5.867 10.692 -2.503 1.00 0.00 N ATOM 1736 CA LEU A 120 -6.166 9.294 -2.788 1.00 0.00 C ATOM 1737 C LEU A 120 -7.661 9.053 -2.970 1.00 0.00 C ATOM 1738 O LEU A 120 -8.493 9.861 -2.556 1.00 0.00 O ATOM 1739 CB LEU A 120 -5.619 8.388 -1.675 1.00 0.00 C ATOM 1740 CG LEU A 120 -5.345 9.078 -0.330 1.00 0.00 C ATOM 1741 CD1 LEU A 120 -5.886 8.244 0.820 1.00 0.00 C ATOM 1742 CD2 LEU A 120 -3.855 9.330 -0.144 1.00 0.00 C ATOM 0 H LEU A 120 -6.653 11.237 -2.150 1.00 0.00 H new ATOM 0 HA LEU A 120 -5.674 9.046 -3.729 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -6.329 7.578 -1.509 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -4.692 7.933 -2.025 1.00 0.00 H new ATOM 0 HG LEU A 120 -5.858 10.040 -0.334 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -5.682 8.750 1.764 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -6.962 8.116 0.702 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -5.402 7.267 0.820 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -3.686 9.819 0.815 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -3.320 8.381 -0.167 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -3.491 9.971 -0.947 1.00 0.00 H new ATOM 1754 N GLN A 121 -7.986 7.920 -3.587 1.00 0.00 N ATOM 1755 CA GLN A 121 -9.371 7.534 -3.824 1.00 0.00 C ATOM 1756 C GLN A 121 -9.733 6.362 -2.921 1.00 0.00 C ATOM 1757 O GLN A 121 -8.857 5.776 -2.285 1.00 0.00 O ATOM 1758 CB GLN A 121 -9.580 7.153 -5.291 1.00 0.00 C ATOM 1759 CG GLN A 121 -9.170 8.244 -6.267 1.00 0.00 C ATOM 1760 CD GLN A 121 -9.325 7.819 -7.714 1.00 0.00 C ATOM 1761 OE1 GLN A 121 -10.439 7.723 -8.229 1.00 0.00 O ATOM 1762 NE2 GLN A 121 -8.204 7.561 -8.378 1.00 0.00 N ATOM 0 H GLN A 121 -7.301 7.249 -3.934 1.00 0.00 H new ATOM 0 HA GLN A 121 -10.018 8.381 -3.596 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -9.010 6.250 -5.508 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -10.631 6.912 -5.449 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -9.774 9.134 -6.087 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -8.132 8.520 -6.082 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -7.302 7.654 -7.911 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -8.245 7.270 -9.355 1.00 0.00 H new ATOM 1771 N CYS A 122 -11.015 6.023 -2.849 1.00 0.00 N ATOM 1772 CA CYS A 122 -11.437 4.921 -1.994 1.00 0.00 C ATOM 1773 C CYS A 122 -12.773 4.323 -2.417 1.00 0.00 C ATOM 1774 O CYS A 122 -13.320 4.657 -3.469 1.00 0.00 O ATOM 1775 CB CYS A 122 -11.504 5.375 -0.539 1.00 0.00 C ATOM 1776 SG CYS A 122 -10.318 4.523 0.533 1.00 0.00 S ATOM 0 H CYS A 122 -11.767 6.485 -3.361 1.00 0.00 H new ATOM 0 HA CYS A 122 -10.688 4.136 -2.100 1.00 0.00 H new ATOM 0 HB2 CYS A 122 -11.320 6.448 -0.492 1.00 0.00 H new ATOM 0 HB3 CYS A 122 -12.512 5.207 -0.159 1.00 0.00 H new ATOM 1781 N GLN A 123 -13.280 3.420 -1.579 1.00 0.00 N ATOM 1782 CA GLN A 123 -14.542 2.739 -1.839 1.00 0.00 C ATOM 1783 C GLN A 123 -15.694 3.422 -1.103 1.00 0.00 C ATOM 1784 O GLN A 123 -15.619 3.664 0.101 1.00 0.00 O ATOM 1785 CB GLN A 123 -14.432 1.267 -1.412 1.00 0.00 C ATOM 1786 CG GLN A 123 -14.799 1.000 0.041 1.00 0.00 C ATOM 1787 CD GLN A 123 -14.369 -0.382 0.495 1.00 0.00 C ATOM 1788 OE1 GLN A 123 -15.258 -1.356 0.347 1.00 0.00 O flip ATOM 1789 NE2 GLN A 123 -13.248 -0.573 0.965 1.00 0.00 N flip ATOM 0 H GLN A 123 -12.829 3.143 -0.707 1.00 0.00 H new ATOM 0 HA GLN A 123 -14.751 2.789 -2.908 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -15.079 0.667 -2.053 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -13.410 0.928 -1.583 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -14.331 1.752 0.676 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -15.877 1.103 0.167 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -12.596 0.205 1.061 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -12.971 -1.510 1.259 1.00 0.00 H new ATOM 1919 N TYR A 132 -15.501 9.608 -0.727 1.00 0.00 N ATOM 1920 CA TYR A 132 -14.876 8.354 -0.323 1.00 0.00 C ATOM 1921 C TYR A 132 -14.966 8.163 1.188 1.00 0.00 C ATOM 1922 O TYR A 132 -15.688 8.888 1.872 1.00 0.00 O ATOM 1923 CB TYR A 132 -13.411 8.320 -0.768 1.00 0.00 C ATOM 1924 CG TYR A 132 -13.182 8.862 -2.162 1.00 0.00 C ATOM 1925 CD1 TYR A 132 -14.116 8.660 -3.172 1.00 0.00 C ATOM 1926 CD2 TYR A 132 -12.030 9.576 -2.468 1.00 0.00 C ATOM 1927 CE1 TYR A 132 -13.908 9.154 -4.445 1.00 0.00 C ATOM 1928 CE2 TYR A 132 -11.816 10.074 -3.739 1.00 0.00 C ATOM 1929 CZ TYR A 132 -12.757 9.860 -4.724 1.00 0.00 C ATOM 1930 OH TYR A 132 -12.546 10.354 -5.991 1.00 0.00 O ATOM 0 HA TYR A 132 -15.413 7.538 -0.807 1.00 0.00 H new ATOM 0 HB2 TYR A 132 -12.813 8.896 -0.062 1.00 0.00 H new ATOM 0 HB3 TYR A 132 -13.052 7.292 -0.725 1.00 0.00 H new ATOM 0 HD1 TYR A 132 -15.019 8.108 -2.958 1.00 0.00 H new ATOM 0 HD2 TYR A 132 -11.290 9.744 -1.700 1.00 0.00 H new ATOM 0 HE1 TYR A 132 -14.644 8.988 -5.218 1.00 0.00 H new ATOM 0 HE2 TYR A 132 -10.916 10.628 -3.960 1.00 0.00 H new ATOM 0 HH TYR A 132 -11.688 10.827 -6.019 1.00 0.00 H new ATOM 1940 N LEU A 133 -14.230 7.182 1.702 1.00 0.00 N ATOM 1941 CA LEU A 133 -14.231 6.898 3.133 1.00 0.00 C ATOM 1942 C LEU A 133 -12.826 7.010 3.714 1.00 0.00 C ATOM 1943 O LEU A 133 -11.861 6.521 3.127 1.00 0.00 O ATOM 1944 CB LEU A 133 -14.787 5.496 3.398 1.00 0.00 C ATOM 1945 CG LEU A 133 -16.309 5.370 3.308 1.00 0.00 C ATOM 1946 CD1 LEU A 133 -16.984 6.408 4.190 1.00 0.00 C ATOM 1947 CD2 LEU A 133 -16.771 5.508 1.863 1.00 0.00 C ATOM 0 H LEU A 133 -13.627 6.572 1.150 1.00 0.00 H new ATOM 0 HA LEU A 133 -14.869 7.636 3.620 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -14.339 4.804 2.685 1.00 0.00 H new ATOM 0 HB3 LEU A 133 -14.471 5.179 4.392 1.00 0.00 H new ATOM 0 HG LEU A 133 -16.595 4.381 3.666 1.00 0.00 H new ATOM 0 HD11 LEU A 133 -18.066 6.303 4.113 1.00 0.00 H new ATOM 0 HD12 LEU A 133 -16.678 6.260 5.226 1.00 0.00 H new ATOM 0 HD13 LEU A 133 -16.692 7.407 3.865 1.00 0.00 H new ATOM 0 HD21 LEU A 133 -17.856 5.416 1.818 1.00 0.00 H new ATOM 0 HD22 LEU A 133 -16.473 6.483 1.477 1.00 0.00 H new ATOM 0 HD23 LEU A 133 -16.315 4.724 1.259 1.00 0.00 H new ATOM 1959 N TRP A 134 -12.714 7.655 4.872 1.00 0.00 N ATOM 1960 CA TRP A 134 -11.419 7.819 5.523 1.00 0.00 C ATOM 1961 C TRP A 134 -11.570 8.031 7.028 1.00 0.00 C ATOM 1962 O TRP A 134 -12.170 9.011 7.471 1.00 0.00 O ATOM 1963 CB TRP A 134 -10.655 9.001 4.907 1.00 0.00 C ATOM 1964 CG TRP A 134 -9.685 9.649 5.846 1.00 0.00 C ATOM 1965 CD1 TRP A 134 -8.458 9.180 6.206 1.00 0.00 C ATOM 1966 CD2 TRP A 134 -9.868 10.883 6.546 1.00 0.00 C ATOM 1967 NE1 TRP A 134 -7.863 10.047 7.091 1.00 0.00 N ATOM 1968 CE2 TRP A 134 -8.708 11.102 7.313 1.00 0.00 C ATOM 1969 CE3 TRP A 134 -10.899 11.825 6.597 1.00 0.00 C ATOM 1970 CZ2 TRP A 134 -8.551 12.224 8.121 1.00 0.00 C ATOM 1971 CZ3 TRP A 134 -10.741 12.940 7.399 1.00 0.00 C ATOM 1972 CH2 TRP A 134 -9.575 13.131 8.151 1.00 0.00 C ATOM 0 H TRP A 134 -13.498 8.070 5.375 1.00 0.00 H new ATOM 0 HA TRP A 134 -10.854 6.901 5.364 1.00 0.00 H new ATOM 0 HB2 TRP A 134 -10.116 8.653 4.026 1.00 0.00 H new ATOM 0 HB3 TRP A 134 -11.372 9.748 4.568 1.00 0.00 H new ATOM 0 HD1 TRP A 134 -8.017 8.261 5.848 1.00 0.00 H new ATOM 0 HE1 TRP A 134 -6.943 9.925 7.513 1.00 0.00 H new ATOM 0 HE3 TRP A 134 -11.802 11.685 6.021 1.00 0.00 H new ATOM 0 HZ2 TRP A 134 -7.654 12.373 8.703 1.00 0.00 H new ATOM 0 HZ3 TRP A 134 -11.530 13.676 7.446 1.00 0.00 H new ATOM 0 HH2 TRP A 134 -9.482 14.013 8.768 1.00 0.00 H new ATOM 1983 N LYS A 135 -10.986 7.127 7.806 1.00 0.00 N ATOM 1984 CA LYS A 135 -11.016 7.234 9.259 1.00 0.00 C ATOM 1985 C LYS A 135 -9.594 7.116 9.803 1.00 0.00 C ATOM 1986 O LYS A 135 -8.942 6.085 9.642 1.00 0.00 O ATOM 1987 CB LYS A 135 -11.927 6.161 9.871 1.00 0.00 C ATOM 1988 CG LYS A 135 -12.349 6.464 11.301 1.00 0.00 C ATOM 1989 CD LYS A 135 -13.310 5.413 11.842 1.00 0.00 C ATOM 1990 CE LYS A 135 -12.812 4.777 13.133 1.00 0.00 C ATOM 1991 NZ LYS A 135 -11.939 5.689 13.925 1.00 0.00 N ATOM 0 H LYS A 135 -10.486 6.311 7.454 1.00 0.00 H new ATOM 0 HA LYS A 135 -11.426 8.205 9.536 1.00 0.00 H new ATOM 0 HB2 LYS A 135 -12.818 6.057 9.252 1.00 0.00 H new ATOM 0 HB3 LYS A 135 -11.410 5.202 9.849 1.00 0.00 H new ATOM 0 HG2 LYS A 135 -11.466 6.511 11.938 1.00 0.00 H new ATOM 0 HG3 LYS A 135 -12.823 7.445 11.340 1.00 0.00 H new ATOM 0 HD2 LYS A 135 -14.283 5.872 12.018 1.00 0.00 H new ATOM 0 HD3 LYS A 135 -13.455 4.637 11.091 1.00 0.00 H new ATOM 0 HE2 LYS A 135 -13.667 4.481 13.741 1.00 0.00 H new ATOM 0 HE3 LYS A 135 -12.260 3.868 12.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 -11.864 5.337 14.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 -10.993 5.724 13.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 -12.351 6.644 13.933 1.00 0.00 H new ATOM 2005 N LYS A 136 -9.109 8.188 10.424 1.00 0.00 N ATOM 2006 CA LYS A 136 -7.752 8.213 10.964 1.00 0.00 C ATOM 2007 C LYS A 136 -7.695 7.612 12.364 1.00 0.00 C ATOM 2008 O LYS A 136 -8.640 7.732 13.143 1.00 0.00 O ATOM 2009 CB LYS A 136 -7.215 9.647 10.985 1.00 0.00 C ATOM 2010 CG LYS A 136 -5.891 9.809 10.258 1.00 0.00 C ATOM 2011 CD LYS A 136 -5.310 11.199 10.463 1.00 0.00 C ATOM 2012 CE LYS A 136 -4.014 11.383 9.687 1.00 0.00 C ATOM 2013 NZ LYS A 136 -4.150 12.407 8.615 1.00 0.00 N ATOM 0 H LYS A 136 -9.635 9.050 10.566 1.00 0.00 H new ATOM 0 HA LYS A 136 -7.125 7.604 10.312 1.00 0.00 H new ATOM 0 HB2 LYS A 136 -7.953 10.309 10.532 1.00 0.00 H new ATOM 0 HB3 LYS A 136 -7.093 9.966 12.020 1.00 0.00 H new ATOM 0 HG2 LYS A 136 -5.184 9.061 10.617 1.00 0.00 H new ATOM 0 HG3 LYS A 136 -6.035 9.627 9.193 1.00 0.00 H new ATOM 0 HD2 LYS A 136 -6.035 11.948 10.145 1.00 0.00 H new ATOM 0 HD3 LYS A 136 -5.126 11.364 11.525 1.00 0.00 H new ATOM 0 HE2 LYS A 136 -3.219 11.678 10.372 1.00 0.00 H new ATOM 0 HE3 LYS A 136 -3.717 10.432 9.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 -3.324 12.361 7.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 -5.015 12.224 8.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 -4.206 13.353 9.044 1.00 0.00 H new ATOM 2027 N GLY A 137 -6.572 6.967 12.675 1.00 0.00 N ATOM 2028 CA GLY A 137 -6.402 6.352 13.982 1.00 0.00 C ATOM 2029 C GLY A 137 -6.812 7.261 15.128 1.00 0.00 C ATOM 2030 O GLY A 137 -7.208 6.785 16.192 1.00 0.00 O ATOM 0 H GLY A 137 -5.777 6.859 12.045 1.00 0.00 H new ATOM 0 HA2 GLY A 137 -6.991 5.436 14.025 1.00 0.00 H new ATOM 0 HA3 GLY A 137 -5.358 6.066 14.109 1.00 0.00 H new ATOM 2034 N LYS A 138 -6.716 8.570 14.914 1.00 0.00 N ATOM 2035 CA LYS A 138 -7.079 9.541 15.942 1.00 0.00 C ATOM 2036 C LYS A 138 -8.315 10.346 15.540 1.00 0.00 C ATOM 2037 O LYS A 138 -8.970 10.955 16.385 1.00 0.00 O ATOM 2038 CB LYS A 138 -5.905 10.486 16.213 1.00 0.00 C ATOM 2039 CG LYS A 138 -5.144 10.161 17.487 1.00 0.00 C ATOM 2040 CD LYS A 138 -4.575 8.752 17.453 1.00 0.00 C ATOM 2041 CE LYS A 138 -4.675 8.078 18.811 1.00 0.00 C ATOM 2042 NZ LYS A 138 -3.994 6.753 18.826 1.00 0.00 N ATOM 0 H LYS A 138 -6.391 8.983 14.040 1.00 0.00 H new ATOM 0 HA LYS A 138 -7.317 8.990 16.852 1.00 0.00 H new ATOM 0 HB2 LYS A 138 -5.217 10.448 15.369 1.00 0.00 H new ATOM 0 HB3 LYS A 138 -6.279 11.508 16.274 1.00 0.00 H new ATOM 0 HG2 LYS A 138 -4.334 10.878 17.621 1.00 0.00 H new ATOM 0 HG3 LYS A 138 -5.808 10.266 18.345 1.00 0.00 H new ATOM 0 HD2 LYS A 138 -5.111 8.160 16.711 1.00 0.00 H new ATOM 0 HD3 LYS A 138 -3.532 8.787 17.139 1.00 0.00 H new ATOM 0 HE2 LYS A 138 -4.231 8.723 19.570 1.00 0.00 H new ATOM 0 HE3 LYS A 138 -5.724 7.950 19.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 -4.085 6.326 19.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 -4.434 6.129 18.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 -2.987 6.878 18.598 1.00 0.00 H new ATOM 2056 N GLU A 139 -8.628 10.348 14.247 1.00 0.00 N ATOM 2057 CA GLU A 139 -9.780 11.079 13.739 1.00 0.00 C ATOM 2058 C GLU A 139 -10.820 10.115 13.180 1.00 0.00 C ATOM 2059 O GLU A 139 -10.488 9.202 12.424 1.00 0.00 O ATOM 2060 CB GLU A 139 -9.329 12.072 12.658 1.00 0.00 C ATOM 2061 CG GLU A 139 -10.404 12.438 11.639 1.00 0.00 C ATOM 2062 CD GLU A 139 -10.515 13.935 11.415 1.00 0.00 C ATOM 2063 OE1 GLU A 139 -10.088 14.702 12.304 1.00 0.00 O ATOM 2064 OE2 GLU A 139 -11.031 14.339 10.352 1.00 0.00 O ATOM 0 H GLU A 139 -8.097 9.850 13.532 1.00 0.00 H new ATOM 0 HA GLU A 139 -10.237 11.633 14.559 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -8.983 12.984 13.144 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -8.475 11.649 12.129 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -10.181 11.949 10.691 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -11.366 12.053 11.978 1.00 0.00 H new ATOM 2071 N GLU A 140 -12.078 10.325 13.548 1.00 0.00 N ATOM 2072 CA GLU A 140 -13.148 9.470 13.068 1.00 0.00 C ATOM 2073 C GLU A 140 -13.325 9.634 11.557 1.00 0.00 C ATOM 2074 O GLU A 140 -12.364 9.469 10.810 1.00 0.00 O ATOM 2075 CB GLU A 140 -14.451 9.743 13.822 1.00 0.00 C ATOM 2076 CG GLU A 140 -15.465 8.617 13.683 1.00 0.00 C ATOM 2077 CD GLU A 140 -16.696 8.829 14.543 1.00 0.00 C ATOM 2078 OE1 GLU A 140 -17.210 9.967 14.573 1.00 0.00 O ATOM 2079 OE2 GLU A 140 -17.146 7.858 15.186 1.00 0.00 O ATOM 0 H GLU A 140 -12.377 11.074 14.172 1.00 0.00 H new ATOM 0 HA GLU A 140 -12.875 8.433 13.262 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -14.228 9.896 14.878 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -14.891 10.669 13.452 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -15.766 8.532 12.639 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -14.994 7.673 13.957 1.00 0.00 H new ATOM 2086 N LEU A 141 -14.539 9.929 11.092 1.00 0.00 N ATOM 2087 CA LEU A 141 -14.770 10.060 9.663 1.00 0.00 C ATOM 2088 C LEU A 141 -14.949 11.507 9.221 1.00 0.00 C ATOM 2089 O LEU A 141 -14.864 12.443 10.016 1.00 0.00 O ATOM 2090 CB LEU A 141 -15.996 9.242 9.251 1.00 0.00 C ATOM 2091 CG LEU A 141 -15.716 7.777 8.914 1.00 0.00 C ATOM 2092 CD1 LEU A 141 -14.537 7.666 7.959 1.00 0.00 C ATOM 2093 CD2 LEU A 141 -15.452 6.985 10.183 1.00 0.00 C ATOM 0 H LEU A 141 -15.361 10.079 11.676 1.00 0.00 H new ATOM 0 HA LEU A 141 -13.878 9.678 9.166 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -16.727 9.279 10.059 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -16.455 9.717 8.384 1.00 0.00 H new ATOM 0 HG LEU A 141 -16.595 7.360 8.423 1.00 0.00 H new ATOM 0 HD11 LEU A 141 -14.352 6.617 7.730 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -14.763 8.204 7.038 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -13.651 8.098 8.424 1.00 0.00 H new ATOM 0 HD21 LEU A 141 -15.254 5.944 9.928 1.00 0.00 H new ATOM 0 HD22 LEU A 141 -14.588 7.402 10.699 1.00 0.00 H new ATOM 0 HD23 LEU A 141 -16.325 7.039 10.834 1.00 0.00 H new ATOM 2105 N GLY A 142 -15.195 11.655 7.926 1.00 0.00 N ATOM 2106 CA GLY A 142 -15.390 12.953 7.315 1.00 0.00 C ATOM 2107 C GLY A 142 -15.410 12.828 5.806 1.00 0.00 C ATOM 2108 O GLY A 142 -14.425 13.134 5.138 1.00 0.00 O ATOM 0 H GLY A 142 -15.264 10.874 7.273 1.00 0.00 H new ATOM 0 HA2 GLY A 142 -16.327 13.389 7.663 1.00 0.00 H new ATOM 0 HA3 GLY A 142 -14.591 13.629 7.620 1.00 0.00 H new ATOM 2112 N ASN A 143 -16.527 12.341 5.275 1.00 0.00 N ATOM 2113 CA ASN A 143 -16.674 12.125 3.837 1.00 0.00 C ATOM 2114 C ASN A 143 -16.177 13.316 3.022 1.00 0.00 C ATOM 2115 O ASN A 143 -16.532 14.463 3.290 1.00 0.00 O ATOM 2116 CB ASN A 143 -18.137 11.840 3.495 1.00 0.00 C ATOM 2117 CG ASN A 143 -18.581 10.466 3.956 1.00 0.00 C ATOM 2118 OD1 ASN A 143 -18.185 9.998 5.024 1.00 0.00 O ATOM 2119 ND2 ASN A 143 -19.410 9.811 3.151 1.00 0.00 N ATOM 0 H ASN A 143 -17.350 12.087 5.822 1.00 0.00 H new ATOM 0 HA ASN A 143 -16.059 11.265 3.574 1.00 0.00 H new ATOM 0 HB2 ASN A 143 -18.770 12.597 3.958 1.00 0.00 H new ATOM 0 HB3 ASN A 143 -18.278 11.922 2.417 1.00 0.00 H new ATOM 0 HD21 ASN A 143 -19.744 8.882 3.409 1.00 0.00 H new ATOM 0 HD22 ASN A 143 -19.713 10.237 2.275 1.00 0.00 H new ATOM 2126 N MET A 144 -15.352 13.021 2.019 1.00 0.00 N ATOM 2127 CA MET A 144 -14.796 14.049 1.146 1.00 0.00 C ATOM 2128 C MET A 144 -14.665 13.530 -0.284 1.00 0.00 C ATOM 2129 O MET A 144 -14.411 12.345 -0.502 1.00 0.00 O ATOM 2130 CB MET A 144 -13.427 14.502 1.660 1.00 0.00 C ATOM 2131 CG MET A 144 -12.420 13.368 1.796 1.00 0.00 C ATOM 2132 SD MET A 144 -12.091 12.926 3.511 1.00 0.00 S ATOM 2133 CE MET A 144 -12.993 11.382 3.632 1.00 0.00 C ATOM 0 H MET A 144 -15.054 12.073 1.791 1.00 0.00 H new ATOM 0 HA MET A 144 -15.477 14.900 1.149 1.00 0.00 H new ATOM 0 HB2 MET A 144 -13.025 15.254 0.982 1.00 0.00 H new ATOM 0 HB3 MET A 144 -13.553 14.982 2.630 1.00 0.00 H new ATOM 0 HG2 MET A 144 -12.793 12.492 1.265 1.00 0.00 H new ATOM 0 HG3 MET A 144 -11.486 13.658 1.315 1.00 0.00 H new ATOM 0 HE1 MET A 144 -13.085 11.095 4.680 1.00 0.00 H new ATOM 0 HE2 MET A 144 -13.987 11.506 3.201 1.00 0.00 H new ATOM 0 HE3 MET A 144 -12.457 10.604 3.089 1.00 0.00 H new ATOM 2143 N ARG A 145 -14.836 14.422 -1.256 1.00 0.00 N ATOM 2144 CA ARG A 145 -14.732 14.048 -2.664 1.00 0.00 C ATOM 2145 C ARG A 145 -13.370 13.425 -2.957 1.00 0.00 C ATOM 2146 O ARG A 145 -13.276 12.394 -3.622 1.00 0.00 O ATOM 2147 CB ARG A 145 -14.949 15.272 -3.557 1.00 0.00 C ATOM 2148 CG ARG A 145 -15.279 14.922 -4.999 1.00 0.00 C ATOM 2149 CD ARG A 145 -15.558 16.166 -5.826 1.00 0.00 C ATOM 2150 NE ARG A 145 -16.727 16.897 -5.342 1.00 0.00 N ATOM 2151 CZ ARG A 145 -16.684 17.825 -4.387 1.00 0.00 C ATOM 2152 NH1 ARG A 145 -15.532 18.142 -3.807 1.00 0.00 N ATOM 2153 NH2 ARG A 145 -17.797 18.439 -4.011 1.00 0.00 N ATOM 0 H ARG A 145 -15.047 15.407 -1.095 1.00 0.00 H new ATOM 0 HA ARG A 145 -15.506 13.311 -2.879 1.00 0.00 H new ATOM 0 HB2 ARG A 145 -15.758 15.874 -3.144 1.00 0.00 H new ATOM 0 HB3 ARG A 145 -14.051 15.889 -3.538 1.00 0.00 H new ATOM 0 HG2 ARG A 145 -14.449 14.370 -5.439 1.00 0.00 H new ATOM 0 HG3 ARG A 145 -16.148 14.265 -5.025 1.00 0.00 H new ATOM 0 HD2 ARG A 145 -14.686 16.820 -5.802 1.00 0.00 H new ATOM 0 HD3 ARG A 145 -15.714 15.882 -6.867 1.00 0.00 H new ATOM 0 HE ARG A 145 -17.632 16.684 -5.761 1.00 0.00 H new ATOM 0 HH11 ARG A 145 -14.672 17.674 -4.092 1.00 0.00 H new ATOM 0 HH12 ARG A 145 -15.508 18.854 -3.077 1.00 0.00 H new ATOM 0 HH21 ARG A 145 -18.685 18.201 -4.453 1.00 0.00 H new ATOM 0 HH22 ARG A 145 -17.765 19.150 -3.280 1.00 0.00 H new ATOM 2167 N GLN A 146 -12.321 14.056 -2.442 1.00 0.00 N ATOM 2168 CA GLN A 146 -10.960 13.568 -2.629 1.00 0.00 C ATOM 2169 C GLN A 146 -10.265 13.446 -1.280 1.00 0.00 C ATOM 2170 O GLN A 146 -10.337 14.358 -0.456 1.00 0.00 O ATOM 2171 CB GLN A 146 -10.174 14.510 -3.543 1.00 0.00 C ATOM 2172 CG GLN A 146 -8.744 14.060 -3.796 1.00 0.00 C ATOM 2173 CD GLN A 146 -8.100 14.791 -4.957 1.00 0.00 C ATOM 2174 OE1 GLN A 146 -7.797 16.069 -4.758 1.00 0.00 O flip ATOM 2175 NE2 GLN A 146 -7.877 14.215 -6.022 1.00 0.00 N flip ATOM 0 H GLN A 146 -12.388 14.911 -1.889 1.00 0.00 H new ATOM 0 HA GLN A 146 -11.001 12.586 -3.100 1.00 0.00 H new ATOM 0 HB2 GLN A 146 -10.694 14.594 -4.497 1.00 0.00 H new ATOM 0 HB3 GLN A 146 -10.160 15.505 -3.099 1.00 0.00 H new ATOM 0 HG2 GLN A 146 -8.151 14.222 -2.896 1.00 0.00 H new ATOM 0 HG3 GLN A 146 -8.734 12.988 -3.996 1.00 0.00 H new ATOM 0 HE21 GLN A 146 -8.126 13.232 -6.132 1.00 0.00 H new ATOM 0 HE22 GLN A 146 -7.443 14.721 -6.794 1.00 0.00 H new ATOM 2184 N LEU A 147 -9.607 12.317 -1.043 1.00 0.00 N ATOM 2185 CA LEU A 147 -8.929 12.103 0.228 1.00 0.00 C ATOM 2186 C LEU A 147 -7.630 12.898 0.317 1.00 0.00 C ATOM 2187 O LEU A 147 -6.625 12.544 -0.302 1.00 0.00 O ATOM 2188 CB LEU A 147 -8.638 10.616 0.461 1.00 0.00 C ATOM 2189 CG LEU A 147 -9.497 9.921 1.527 1.00 0.00 C ATOM 2190 CD1 LEU A 147 -8.925 8.551 1.859 1.00 0.00 C ATOM 2191 CD2 LEU A 147 -9.596 10.760 2.793 1.00 0.00 C ATOM 0 H LEU A 147 -9.529 11.545 -1.705 1.00 0.00 H new ATOM 0 HA LEU A 147 -9.605 12.458 1.006 1.00 0.00 H new ATOM 0 HB2 LEU A 147 -8.769 10.088 -0.484 1.00 0.00 H new ATOM 0 HB3 LEU A 147 -7.590 10.511 0.742 1.00 0.00 H new ATOM 0 HG LEU A 147 -10.500 9.802 1.117 1.00 0.00 H new ATOM 0 HD11 LEU A 147 -9.545 8.071 2.616 1.00 0.00 H new ATOM 0 HD12 LEU A 147 -8.909 7.936 0.960 1.00 0.00 H new ATOM 0 HD13 LEU A 147 -7.910 8.663 2.240 1.00 0.00 H new ATOM 0 HD21 LEU A 147 -10.211 10.240 3.527 1.00 0.00 H new ATOM 0 HD22 LEU A 147 -8.599 10.920 3.203 1.00 0.00 H new ATOM 0 HD23 LEU A 147 -10.050 11.723 2.557 1.00 0.00 H new ATOM 2203 N ASP A 148 -7.661 13.958 1.115 1.00 0.00 N ATOM 2204 CA ASP A 148 -6.495 14.803 1.333 1.00 0.00 C ATOM 2205 C ASP A 148 -6.277 15.004 2.829 1.00 0.00 C ATOM 2206 O ASP A 148 -6.847 15.914 3.431 1.00 0.00 O ATOM 2207 CB ASP A 148 -6.679 16.159 0.651 1.00 0.00 C ATOM 2208 CG ASP A 148 -5.377 16.927 0.532 1.00 0.00 C ATOM 2209 OD1 ASP A 148 -4.321 16.282 0.368 1.00 0.00 O ATOM 2210 OD2 ASP A 148 -5.414 18.174 0.603 1.00 0.00 O ATOM 0 H ASP A 148 -8.492 14.255 1.627 1.00 0.00 H new ATOM 0 HA ASP A 148 -5.623 14.312 0.901 1.00 0.00 H new ATOM 0 HB2 ASP A 148 -7.101 16.009 -0.343 1.00 0.00 H new ATOM 0 HB3 ASP A 148 -7.398 16.753 1.216 1.00 0.00 H new ATOM 2215 N LEU A 149 -5.458 14.144 3.427 1.00 0.00 N ATOM 2216 CA LEU A 149 -5.180 14.229 4.861 1.00 0.00 C ATOM 2217 C LEU A 149 -3.681 14.345 5.117 1.00 0.00 C ATOM 2218 O LEU A 149 -3.167 13.817 6.103 1.00 0.00 O ATOM 2219 CB LEU A 149 -5.749 13.010 5.619 1.00 0.00 C ATOM 2220 CG LEU A 149 -6.627 12.055 4.799 1.00 0.00 C ATOM 2221 CD1 LEU A 149 -7.760 12.812 4.125 1.00 0.00 C ATOM 2222 CD2 LEU A 149 -5.780 11.307 3.779 1.00 0.00 C ATOM 0 H LEU A 149 -4.977 13.384 2.946 1.00 0.00 H new ATOM 0 HA LEU A 149 -5.674 15.126 5.235 1.00 0.00 H new ATOM 0 HB2 LEU A 149 -4.915 12.442 6.030 1.00 0.00 H new ATOM 0 HB3 LEU A 149 -6.334 13.374 6.464 1.00 0.00 H new ATOM 0 HG LEU A 149 -7.073 11.323 5.473 1.00 0.00 H new ATOM 0 HD11 LEU A 149 -8.370 12.116 3.549 1.00 0.00 H new ATOM 0 HD12 LEU A 149 -8.377 13.294 4.883 1.00 0.00 H new ATOM 0 HD13 LEU A 149 -7.346 13.569 3.459 1.00 0.00 H new ATOM 0 HD21 LEU A 149 -6.414 10.633 3.204 1.00 0.00 H new ATOM 0 HD22 LEU A 149 -5.306 12.021 3.106 1.00 0.00 H new ATOM 0 HD23 LEU A 149 -5.013 10.731 4.296 1.00 0.00 H new ATOM 2234 N GLY A 150 -2.984 15.042 4.226 1.00 0.00 N ATOM 2235 CA GLY A 150 -1.553 15.215 4.381 1.00 0.00 C ATOM 2236 C GLY A 150 -0.909 15.873 3.177 1.00 0.00 C ATOM 2237 O GLY A 150 -1.537 16.019 2.128 1.00 0.00 O ATOM 0 H GLY A 150 -3.384 15.489 3.401 1.00 0.00 H new ATOM 0 HA2 GLY A 150 -1.358 15.819 5.267 1.00 0.00 H new ATOM 0 HA3 GLY A 150 -1.090 14.243 4.550 1.00 0.00 H new ATOM 2241 N ALA A 151 0.349 16.269 3.332 1.00 0.00 N ATOM 2242 CA ALA A 151 1.090 16.915 2.258 1.00 0.00 C ATOM 2243 C ALA A 151 2.277 16.064 1.830 1.00 0.00 C ATOM 2244 O ALA A 151 2.718 15.188 2.571 1.00 0.00 O ATOM 2245 CB ALA A 151 1.566 18.287 2.704 1.00 0.00 C ATOM 0 H ALA A 151 0.878 16.153 4.196 1.00 0.00 H new ATOM 0 HA ALA A 151 0.424 17.029 1.403 1.00 0.00 H new ATOM 0 HB1 ALA A 151 2.119 18.761 1.893 1.00 0.00 H new ATOM 0 HB2 ALA A 151 0.706 18.903 2.966 1.00 0.00 H new ATOM 0 HB3 ALA A 151 2.215 18.182 3.573 1.00 0.00 H new ATOM 2251 N ILE A 152 2.797 16.329 0.638 1.00 0.00 N ATOM 2252 CA ILE A 152 3.939 15.582 0.132 1.00 0.00 C ATOM 2253 C ILE A 152 5.174 15.852 0.986 1.00 0.00 C ATOM 2254 O ILE A 152 5.894 14.930 1.368 1.00 0.00 O ATOM 2255 CB ILE A 152 4.229 15.922 -1.346 1.00 0.00 C ATOM 2256 CG1 ILE A 152 4.958 14.761 -2.016 1.00 0.00 C ATOM 2257 CG2 ILE A 152 5.038 17.206 -1.475 1.00 0.00 C ATOM 2258 CD1 ILE A 152 4.727 14.695 -3.506 1.00 0.00 C ATOM 0 H ILE A 152 2.448 17.051 0.008 1.00 0.00 H new ATOM 0 HA ILE A 152 3.691 14.522 0.190 1.00 0.00 H new ATOM 0 HB ILE A 152 3.276 16.082 -1.849 1.00 0.00 H new ATOM 0 HG12 ILE A 152 6.027 14.852 -1.824 1.00 0.00 H new ATOM 0 HG13 ILE A 152 4.632 13.825 -1.562 1.00 0.00 H new ATOM 0 HG21 ILE A 152 5.224 17.415 -2.529 1.00 0.00 H new ATOM 0 HG22 ILE A 152 4.481 18.033 -1.034 1.00 0.00 H new ATOM 0 HG23 ILE A 152 5.989 17.091 -0.955 1.00 0.00 H new ATOM 0 HD11 ILE A 152 5.273 13.848 -3.922 1.00 0.00 H new ATOM 0 HD12 ILE A 152 3.662 14.573 -3.704 1.00 0.00 H new ATOM 0 HD13 ILE A 152 5.079 15.616 -3.970 1.00 0.00 H new ATOM 2270 N TYR A 153 5.399 17.125 1.297 1.00 0.00 N ATOM 2271 CA TYR A 153 6.528 17.524 2.123 1.00 0.00 C ATOM 2272 C TYR A 153 6.122 17.481 3.591 1.00 0.00 C ATOM 2273 O TYR A 153 6.903 17.088 4.457 1.00 0.00 O ATOM 2274 CB TYR A 153 7.002 18.926 1.735 1.00 0.00 C ATOM 2275 CG TYR A 153 6.009 20.019 2.062 1.00 0.00 C ATOM 2276 CD1 TYR A 153 5.018 20.377 1.157 1.00 0.00 C ATOM 2277 CD2 TYR A 153 6.063 20.691 3.276 1.00 0.00 C ATOM 2278 CE1 TYR A 153 4.110 21.376 1.452 1.00 0.00 C ATOM 2279 CE2 TYR A 153 5.158 21.691 3.579 1.00 0.00 C ATOM 2280 CZ TYR A 153 4.184 22.029 2.664 1.00 0.00 C ATOM 2281 OH TYR A 153 3.280 23.023 2.962 1.00 0.00 O ATOM 0 H TYR A 153 4.811 17.898 0.987 1.00 0.00 H new ATOM 0 HA TYR A 153 7.354 16.832 1.963 1.00 0.00 H new ATOM 0 HB2 TYR A 153 7.941 19.136 2.247 1.00 0.00 H new ATOM 0 HB3 TYR A 153 7.211 18.946 0.665 1.00 0.00 H new ATOM 0 HD1 TYR A 153 4.956 19.866 0.207 1.00 0.00 H new ATOM 0 HD2 TYR A 153 6.825 20.428 3.995 1.00 0.00 H new ATOM 0 HE1 TYR A 153 3.346 21.644 0.737 1.00 0.00 H new ATOM 0 HE2 TYR A 153 5.214 22.205 4.527 1.00 0.00 H new ATOM 0 HH TYR A 153 3.469 23.380 3.855 1.00 0.00 H new ATOM 2291 N ASP A 154 4.876 17.864 3.849 1.00 0.00 N ATOM 2292 CA ASP A 154 4.326 17.849 5.197 1.00 0.00 C ATOM 2293 C ASP A 154 3.423 16.631 5.359 1.00 0.00 C ATOM 2294 O ASP A 154 2.215 16.757 5.559 1.00 0.00 O ATOM 2295 CB ASP A 154 3.540 19.133 5.472 1.00 0.00 C ATOM 2296 CG ASP A 154 3.666 19.590 6.912 1.00 0.00 C ATOM 2297 OD1 ASP A 154 4.809 19.701 7.403 1.00 0.00 O ATOM 2298 OD2 ASP A 154 2.621 19.838 7.550 1.00 0.00 O ATOM 0 H ASP A 154 4.225 18.191 3.135 1.00 0.00 H new ATOM 0 HA ASP A 154 5.144 17.792 5.916 1.00 0.00 H new ATOM 0 HB2 ASP A 154 3.896 19.923 4.810 1.00 0.00 H new ATOM 0 HB3 ASP A 154 2.488 18.970 5.236 1.00 0.00 H new ATOM 2303 N ASP A 155 4.032 15.452 5.243 1.00 0.00 N ATOM 2304 CA ASP A 155 3.324 14.175 5.345 1.00 0.00 C ATOM 2305 C ASP A 155 2.167 14.220 6.341 1.00 0.00 C ATOM 2306 O ASP A 155 2.169 15.012 7.284 1.00 0.00 O ATOM 2307 CB ASP A 155 4.306 13.073 5.737 1.00 0.00 C ATOM 2308 CG ASP A 155 4.890 13.281 7.121 1.00 0.00 C ATOM 2309 OD1 ASP A 155 5.774 14.151 7.268 1.00 0.00 O ATOM 2310 OD2 ASP A 155 4.464 12.573 8.058 1.00 0.00 O ATOM 0 H ASP A 155 5.033 15.354 5.075 1.00 0.00 H new ATOM 0 HA ASP A 155 2.893 13.965 4.366 1.00 0.00 H new ATOM 0 HB2 ASP A 155 3.798 12.109 5.701 1.00 0.00 H new ATOM 0 HB3 ASP A 155 5.115 13.035 5.007 1.00 0.00 H new ATOM 2315 N PRO A 156 1.161 13.348 6.141 1.00 0.00 N ATOM 2316 CA PRO A 156 -0.014 13.262 7.013 1.00 0.00 C ATOM 2317 C PRO A 156 0.372 13.189 8.486 1.00 0.00 C ATOM 2318 O PRO A 156 1.554 13.149 8.826 1.00 0.00 O ATOM 2319 CB PRO A 156 -0.710 11.964 6.561 1.00 0.00 C ATOM 2320 CG PRO A 156 0.275 11.274 5.674 1.00 0.00 C ATOM 2321 CD PRO A 156 1.091 12.365 5.054 1.00 0.00 C ATOM 0 HA PRO A 156 -0.652 14.142 6.931 1.00 0.00 H new ATOM 0 HB2 PRO A 156 -0.973 11.341 7.416 1.00 0.00 H new ATOM 0 HB3 PRO A 156 -1.636 12.180 6.027 1.00 0.00 H new ATOM 0 HG2 PRO A 156 0.904 10.590 6.244 1.00 0.00 H new ATOM 0 HG3 PRO A 156 -0.231 10.682 4.912 1.00 0.00 H new ATOM 0 HD2 PRO A 156 2.079 12.016 4.755 1.00 0.00 H new ATOM 0 HD3 PRO A 156 0.615 12.775 4.163 1.00 0.00 H new ATOM 2329 N ARG A 157 -0.630 13.182 9.358 1.00 0.00 N ATOM 2330 CA ARG A 157 -0.387 13.125 10.796 1.00 0.00 C ATOM 2331 C ARG A 157 -0.740 11.755 11.365 1.00 0.00 C ATOM 2332 O ARG A 157 -1.241 11.649 12.484 1.00 0.00 O ATOM 2333 CB ARG A 157 -1.187 14.214 11.520 1.00 0.00 C ATOM 2334 CG ARG A 157 -2.511 14.553 10.853 1.00 0.00 C ATOM 2335 CD ARG A 157 -2.334 15.600 9.765 1.00 0.00 C ATOM 2336 NE ARG A 157 -2.371 16.959 10.301 1.00 0.00 N ATOM 2337 CZ ARG A 157 -2.012 18.039 9.611 1.00 0.00 C ATOM 2338 NH1 ARG A 157 -1.589 17.924 8.358 1.00 0.00 N ATOM 2339 NH2 ARG A 157 -2.076 19.237 10.175 1.00 0.00 N ATOM 0 H ARG A 157 -1.615 13.215 9.096 1.00 0.00 H new ATOM 0 HA ARG A 157 0.677 13.297 10.958 1.00 0.00 H new ATOM 0 HB2 ARG A 157 -1.379 13.890 12.543 1.00 0.00 H new ATOM 0 HB3 ARG A 157 -0.580 15.117 11.580 1.00 0.00 H new ATOM 0 HG2 ARG A 157 -2.945 13.650 10.424 1.00 0.00 H new ATOM 0 HG3 ARG A 157 -3.214 14.920 11.601 1.00 0.00 H new ATOM 0 HD2 ARG A 157 -1.384 15.437 9.256 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -3.120 15.483 9.018 1.00 0.00 H new ATOM 0 HE ARG A 157 -2.691 17.088 11.261 1.00 0.00 H new ATOM 0 HH11 ARG A 157 -1.538 17.005 7.919 1.00 0.00 H new ATOM 0 HH12 ARG A 157 -1.315 18.755 7.834 1.00 0.00 H new ATOM 0 HH21 ARG A 157 -2.400 19.331 11.138 1.00 0.00 H new ATOM 0 HH22 ARG A 157 -1.801 20.065 9.646 1.00 0.00 H new ATOM 2353 N GLY A 158 -0.470 10.706 10.594 1.00 0.00 N ATOM 2354 CA GLY A 158 -0.762 9.361 11.053 1.00 0.00 C ATOM 2355 C GLY A 158 -1.375 8.490 9.974 1.00 0.00 C ATOM 2356 O GLY A 158 -1.669 8.962 8.876 1.00 0.00 O ATOM 0 H GLY A 158 -0.056 10.763 9.664 1.00 0.00 H new ATOM 0 HA2 GLY A 158 0.157 8.896 11.409 1.00 0.00 H new ATOM 0 HA3 GLY A 158 -1.443 9.412 11.902 1.00 0.00 H new ATOM 2360 N THR A 159 -1.568 7.214 10.292 1.00 0.00 N ATOM 2361 CA THR A 159 -2.150 6.269 9.348 1.00 0.00 C ATOM 2362 C THR A 159 -3.672 6.355 9.362 1.00 0.00 C ATOM 2363 O THR A 159 -4.282 6.603 10.407 1.00 0.00 O ATOM 2364 CB THR A 159 -1.705 4.843 9.683 1.00 0.00 C ATOM 2365 OG1 THR A 159 -2.138 3.935 8.686 1.00 0.00 O ATOM 2366 CG2 THR A 159 -2.230 4.348 11.014 1.00 0.00 C ATOM 0 H THR A 159 -1.329 6.811 11.198 1.00 0.00 H new ATOM 0 HA THR A 159 -1.798 6.527 8.349 1.00 0.00 H new ATOM 0 HB THR A 159 -0.617 4.885 9.733 1.00 0.00 H new ATOM 0 HG1 THR A 159 -2.517 4.433 7.932 1.00 0.00 H new ATOM 0 HG21 THR A 159 -1.877 3.332 11.189 1.00 0.00 H new ATOM 0 HG22 THR A 159 -1.871 4.999 11.811 1.00 0.00 H new ATOM 0 HG23 THR A 159 -3.320 4.357 11.001 1.00 0.00 H new ATOM 2374 N TYR A 160 -4.285 6.145 8.201 1.00 0.00 N ATOM 2375 CA TYR A 160 -5.737 6.197 8.099 1.00 0.00 C ATOM 2376 C TYR A 160 -6.320 4.831 7.770 1.00 0.00 C ATOM 2377 O TYR A 160 -5.597 3.893 7.441 1.00 0.00 O ATOM 2378 CB TYR A 160 -6.205 7.219 7.056 1.00 0.00 C ATOM 2379 CG TYR A 160 -5.099 7.918 6.298 1.00 0.00 C ATOM 2380 CD1 TYR A 160 -4.389 8.963 6.874 1.00 0.00 C ATOM 2381 CD2 TYR A 160 -4.781 7.544 4.999 1.00 0.00 C ATOM 2382 CE1 TYR A 160 -3.390 9.614 6.177 1.00 0.00 C ATOM 2383 CE2 TYR A 160 -3.786 8.192 4.295 1.00 0.00 C ATOM 2384 CZ TYR A 160 -3.094 9.225 4.888 1.00 0.00 C ATOM 2385 OH TYR A 160 -2.106 9.875 4.187 1.00 0.00 O ATOM 0 H TYR A 160 -3.803 5.939 7.326 1.00 0.00 H new ATOM 0 HA TYR A 160 -6.102 6.513 9.076 1.00 0.00 H new ATOM 0 HB2 TYR A 160 -6.851 6.713 6.339 1.00 0.00 H new ATOM 0 HB3 TYR A 160 -6.813 7.973 7.556 1.00 0.00 H new ATOM 0 HD1 TYR A 160 -4.621 9.272 7.883 1.00 0.00 H new ATOM 0 HD2 TYR A 160 -5.321 6.733 4.532 1.00 0.00 H new ATOM 0 HE1 TYR A 160 -2.844 10.423 6.639 1.00 0.00 H new ATOM 0 HE2 TYR A 160 -3.551 7.891 3.285 1.00 0.00 H new ATOM 0 HH TYR A 160 -2.022 9.478 3.295 1.00 0.00 H new ATOM 2395 N THR A 161 -7.639 4.741 7.860 1.00 0.00 N ATOM 2396 CA THR A 161 -8.354 3.507 7.573 1.00 0.00 C ATOM 2397 C THR A 161 -9.546 3.805 6.673 1.00 0.00 C ATOM 2398 O THR A 161 -10.268 4.777 6.894 1.00 0.00 O ATOM 2399 CB THR A 161 -8.817 2.850 8.877 1.00 0.00 C ATOM 2400 OG1 THR A 161 -7.752 2.777 9.810 1.00 0.00 O ATOM 2401 CG2 THR A 161 -9.356 1.449 8.686 1.00 0.00 C ATOM 0 H THR A 161 -8.241 5.518 8.133 1.00 0.00 H new ATOM 0 HA THR A 161 -7.687 2.816 7.058 1.00 0.00 H new ATOM 0 HB THR A 161 -9.623 3.484 9.246 1.00 0.00 H new ATOM 0 HG1 THR A 161 -8.069 2.356 10.636 1.00 0.00 H new ATOM 0 HG21 THR A 161 -9.666 1.044 9.649 1.00 0.00 H new ATOM 0 HG22 THR A 161 -10.212 1.477 8.012 1.00 0.00 H new ATOM 0 HG23 THR A 161 -8.579 0.815 8.259 1.00 0.00 H new ATOM 2409 N CYS A 162 -9.741 2.986 5.646 1.00 0.00 N ATOM 2410 CA CYS A 162 -10.842 3.204 4.716 1.00 0.00 C ATOM 2411 C CYS A 162 -11.543 1.900 4.343 1.00 0.00 C ATOM 2412 O CYS A 162 -10.916 0.846 4.228 1.00 0.00 O ATOM 2413 CB CYS A 162 -10.330 3.913 3.465 1.00 0.00 C ATOM 2414 SG CYS A 162 -11.472 3.863 2.054 1.00 0.00 S ATOM 0 H CYS A 162 -9.159 2.175 5.438 1.00 0.00 H new ATOM 0 HA CYS A 162 -11.580 3.834 5.213 1.00 0.00 H new ATOM 0 HB2 CYS A 162 -10.122 4.954 3.712 1.00 0.00 H new ATOM 0 HB3 CYS A 162 -9.384 3.461 3.167 1.00 0.00 H new ATOM 2419 N GLN A 163 -12.855 1.997 4.156 1.00 0.00 N ATOM 2420 CA GLN A 163 -13.682 0.854 3.795 1.00 0.00 C ATOM 2421 C GLN A 163 -15.106 1.309 3.485 1.00 0.00 C ATOM 2422 O GLN A 163 -15.480 2.445 3.775 1.00 0.00 O ATOM 2423 CB GLN A 163 -13.690 -0.184 4.919 1.00 0.00 C ATOM 2424 CG GLN A 163 -13.954 -1.600 4.436 1.00 0.00 C ATOM 2425 CD GLN A 163 -13.581 -2.647 5.468 1.00 0.00 C ATOM 2426 OE1 GLN A 163 -12.444 -2.694 5.938 1.00 0.00 O ATOM 2427 NE2 GLN A 163 -14.539 -3.494 5.825 1.00 0.00 N ATOM 0 H GLN A 163 -13.374 2.870 4.251 1.00 0.00 H new ATOM 0 HA GLN A 163 -13.259 0.391 2.903 1.00 0.00 H new ATOM 0 HB2 GLN A 163 -12.730 -0.158 5.434 1.00 0.00 H new ATOM 0 HB3 GLN A 163 -14.451 0.090 5.650 1.00 0.00 H new ATOM 0 HG2 GLN A 163 -15.009 -1.703 4.184 1.00 0.00 H new ATOM 0 HG3 GLN A 163 -13.389 -1.779 3.521 1.00 0.00 H new ATOM 0 HE21 GLN A 163 -15.467 -3.418 5.410 1.00 0.00 H new ATOM 0 HE22 GLN A 163 -14.347 -4.220 6.515 1.00 0.00 H new ATOM 2436 N ARG A 164 -15.896 0.418 2.899 1.00 0.00 N ATOM 2437 CA ARG A 164 -17.280 0.730 2.554 1.00 0.00 C ATOM 2438 C ARG A 164 -18.122 1.061 3.793 1.00 0.00 C ATOM 2439 O ARG A 164 -19.265 1.499 3.665 1.00 0.00 O ATOM 2440 CB ARG A 164 -17.912 -0.443 1.801 1.00 0.00 C ATOM 2441 CG ARG A 164 -18.479 -0.061 0.442 1.00 0.00 C ATOM 2442 CD ARG A 164 -19.392 -1.146 -0.108 1.00 0.00 C ATOM 2443 NE ARG A 164 -19.093 -1.458 -1.504 1.00 0.00 N ATOM 2444 CZ ARG A 164 -18.123 -2.284 -1.890 1.00 0.00 C ATOM 2445 NH1 ARG A 164 -17.353 -2.884 -0.990 1.00 0.00 N ATOM 2446 NH2 ARG A 164 -17.921 -2.512 -3.181 1.00 0.00 N ATOM 0 H ARG A 164 -15.603 -0.527 2.652 1.00 0.00 H new ATOM 0 HA ARG A 164 -17.264 1.614 1.916 1.00 0.00 H new ATOM 0 HB2 ARG A 164 -17.163 -1.223 1.666 1.00 0.00 H new ATOM 0 HB3 ARG A 164 -18.709 -0.868 2.411 1.00 0.00 H new ATOM 0 HG2 ARG A 164 -19.034 0.873 0.528 1.00 0.00 H new ATOM 0 HG3 ARG A 164 -17.662 0.117 -0.257 1.00 0.00 H new ATOM 0 HD2 ARG A 164 -19.288 -2.048 0.495 1.00 0.00 H new ATOM 0 HD3 ARG A 164 -20.430 -0.824 -0.023 1.00 0.00 H new ATOM 0 HE ARG A 164 -19.662 -1.016 -2.226 1.00 0.00 H new ATOM 0 HH11 ARG A 164 -17.503 -2.713 0.004 1.00 0.00 H new ATOM 0 HH12 ARG A 164 -16.612 -3.516 -1.293 1.00 0.00 H new ATOM 0 HH21 ARG A 164 -18.509 -2.054 -3.878 1.00 0.00 H new ATOM 0 HH22 ARG A 164 -17.178 -3.145 -3.477 1.00 0.00 H new ATOM 2460 N ASP A 165 -17.569 0.845 4.989 1.00 0.00 N ATOM 2461 CA ASP A 165 -18.303 1.123 6.222 1.00 0.00 C ATOM 2462 C ASP A 165 -17.764 2.369 6.920 1.00 0.00 C ATOM 2463 O ASP A 165 -16.631 2.782 6.682 1.00 0.00 O ATOM 2464 CB ASP A 165 -18.222 -0.077 7.167 1.00 0.00 C ATOM 2465 CG ASP A 165 -16.793 -0.495 7.450 1.00 0.00 C ATOM 2466 OD1 ASP A 165 -16.211 -1.224 6.619 1.00 0.00 O ATOM 2467 OD2 ASP A 165 -16.254 -0.093 8.503 1.00 0.00 O ATOM 0 H ASP A 165 -16.626 0.482 5.128 1.00 0.00 H new ATOM 0 HA ASP A 165 -19.344 1.305 5.957 1.00 0.00 H new ATOM 0 HB2 ASP A 165 -18.718 0.169 8.106 1.00 0.00 H new ATOM 0 HB3 ASP A 165 -18.764 -0.916 6.731 1.00 0.00 H new ATOM 2472 N GLU A 166 -18.587 2.962 7.782 1.00 0.00 N ATOM 2473 CA GLU A 166 -18.191 4.163 8.517 1.00 0.00 C ATOM 2474 C GLU A 166 -16.931 3.908 9.341 1.00 0.00 C ATOM 2475 O GLU A 166 -15.898 4.536 9.117 1.00 0.00 O ATOM 2476 CB GLU A 166 -19.326 4.645 9.428 1.00 0.00 C ATOM 2477 CG GLU A 166 -20.116 3.524 10.090 1.00 0.00 C ATOM 2478 CD GLU A 166 -21.571 3.506 9.665 1.00 0.00 C ATOM 2479 OE1 GLU A 166 -21.867 3.965 8.541 1.00 0.00 O ATOM 2480 OE2 GLU A 166 -22.415 3.034 10.455 1.00 0.00 O ATOM 0 H GLU A 166 -19.530 2.632 7.989 1.00 0.00 H new ATOM 0 HA GLU A 166 -17.976 4.943 7.786 1.00 0.00 H new ATOM 0 HB2 GLU A 166 -18.907 5.286 10.204 1.00 0.00 H new ATOM 0 HB3 GLU A 166 -20.010 5.259 8.843 1.00 0.00 H new ATOM 0 HG2 GLU A 166 -19.657 2.567 9.843 1.00 0.00 H new ATOM 0 HG3 GLU A 166 -20.059 3.635 11.173 1.00 0.00 H new ATOM 2487 N ASN A 167 -17.019 2.974 10.283 1.00 0.00 N ATOM 2488 CA ASN A 167 -15.882 2.623 11.133 1.00 0.00 C ATOM 2489 C ASN A 167 -14.895 1.740 10.379 1.00 0.00 C ATOM 2490 O ASN A 167 -14.401 0.748 10.913 1.00 0.00 O ATOM 2491 CB ASN A 167 -16.354 1.911 12.397 1.00 0.00 C ATOM 2492 CG ASN A 167 -16.932 2.868 13.422 1.00 0.00 C ATOM 2493 OD1 ASN A 167 -18.011 3.549 13.053 1.00 0.00 O flip ATOM 2494 ND2 ASN A 167 -16.416 2.993 14.532 1.00 0.00 N flip ATOM 0 H ASN A 167 -17.868 2.444 10.479 1.00 0.00 H new ATOM 0 HA ASN A 167 -15.378 3.547 11.417 1.00 0.00 H new ATOM 0 HB2 ASN A 167 -17.107 1.169 12.132 1.00 0.00 H new ATOM 0 HB3 ASN A 167 -15.517 1.371 12.840 1.00 0.00 H new ATOM 0 HD21 ASN A 167 -15.587 2.450 14.773 1.00 0.00 H new ATOM 0 HD22 ASN A 167 -16.817 3.640 15.211 1.00 0.00 H new ATOM 2501 N VAL A 168 -14.630 2.121 9.132 1.00 0.00 N ATOM 2502 CA VAL A 168 -13.711 1.413 8.239 1.00 0.00 C ATOM 2503 C VAL A 168 -12.695 0.554 8.985 1.00 0.00 C ATOM 2504 O VAL A 168 -12.249 0.897 10.080 1.00 0.00 O ATOM 2505 CB VAL A 168 -12.964 2.425 7.371 1.00 0.00 C ATOM 2506 CG1 VAL A 168 -13.942 3.151 6.468 1.00 0.00 C ATOM 2507 CG2 VAL A 168 -12.214 3.410 8.251 1.00 0.00 C ATOM 0 H VAL A 168 -15.054 2.944 8.705 1.00 0.00 H new ATOM 0 HA VAL A 168 -14.317 0.743 7.629 1.00 0.00 H new ATOM 0 HB VAL A 168 -12.241 1.899 6.747 1.00 0.00 H new ATOM 0 HG11 VAL A 168 -13.403 3.871 5.852 1.00 0.00 H new ATOM 0 HG12 VAL A 168 -14.448 2.430 5.825 1.00 0.00 H new ATOM 0 HG13 VAL A 168 -14.679 3.675 7.077 1.00 0.00 H new ATOM 0 HG21 VAL A 168 -11.684 4.128 7.624 1.00 0.00 H new ATOM 0 HG22 VAL A 168 -12.921 3.939 8.890 1.00 0.00 H new ATOM 0 HG23 VAL A 168 -11.497 2.871 8.871 1.00 0.00 H new ATOM 2517 N ASN A 169 -12.349 -0.573 8.382 1.00 0.00 N ATOM 2518 CA ASN A 169 -11.411 -1.508 8.981 1.00 0.00 C ATOM 2519 C ASN A 169 -10.066 -1.525 8.255 1.00 0.00 C ATOM 2520 O ASN A 169 -9.020 -1.695 8.881 1.00 0.00 O ATOM 2521 CB ASN A 169 -12.032 -2.899 8.968 1.00 0.00 C ATOM 2522 CG ASN A 169 -11.478 -3.797 10.057 1.00 0.00 C ATOM 2523 OD1 ASN A 169 -10.639 -4.750 9.668 1.00 0.00 O flip ATOM 2524 ND2 ASN A 169 -11.800 -3.635 11.234 1.00 0.00 N flip ATOM 0 H ASN A 169 -12.707 -0.863 7.472 1.00 0.00 H new ATOM 0 HA ASN A 169 -11.213 -1.187 10.004 1.00 0.00 H new ATOM 0 HB2 ASN A 169 -13.112 -2.812 9.089 1.00 0.00 H new ATOM 0 HB3 ASN A 169 -11.857 -3.362 7.997 1.00 0.00 H new ATOM 0 HD21 ASN A 169 -12.448 -2.889 11.487 1.00 0.00 H new ATOM 0 HD22 ASN A 169 -11.419 -4.246 11.956 1.00 0.00 H new ATOM 2531 N SER A 170 -10.094 -1.354 6.937 1.00 0.00 N ATOM 2532 CA SER A 170 -8.867 -1.359 6.145 1.00 0.00 C ATOM 2533 C SER A 170 -7.972 -0.187 6.534 1.00 0.00 C ATOM 2534 O SER A 170 -8.246 0.957 6.175 1.00 0.00 O ATOM 2535 CB SER A 170 -9.198 -1.293 4.652 1.00 0.00 C ATOM 2536 OG SER A 170 -8.435 -2.235 3.918 1.00 0.00 O ATOM 0 H SER A 170 -10.947 -1.211 6.397 1.00 0.00 H new ATOM 0 HA SER A 170 -8.332 -2.287 6.348 1.00 0.00 H new ATOM 0 HB2 SER A 170 -10.260 -1.486 4.503 1.00 0.00 H new ATOM 0 HB3 SER A 170 -9.001 -0.289 4.277 1.00 0.00 H new ATOM 0 HG SER A 170 -8.666 -2.174 2.968 1.00 0.00 H new ATOM 2542 N THR A 171 -6.904 -0.477 7.271 1.00 0.00 N ATOM 2543 CA THR A 171 -5.975 0.559 7.712 1.00 0.00 C ATOM 2544 C THR A 171 -4.838 0.746 6.714 1.00 0.00 C ATOM 2545 O THR A 171 -4.016 -0.148 6.521 1.00 0.00 O ATOM 2546 CB THR A 171 -5.406 0.208 9.088 1.00 0.00 C ATOM 2547 OG1 THR A 171 -6.422 -0.292 9.939 1.00 0.00 O ATOM 2548 CG2 THR A 171 -4.762 1.386 9.787 1.00 0.00 C ATOM 0 H THR A 171 -6.660 -1.420 7.575 1.00 0.00 H new ATOM 0 HA THR A 171 -6.528 1.496 7.778 1.00 0.00 H new ATOM 0 HB THR A 171 -4.642 -0.546 8.900 1.00 0.00 H new ATOM 0 HG1 THR A 171 -6.038 -0.512 10.813 1.00 0.00 H new ATOM 0 HG21 THR A 171 -4.379 1.069 10.757 1.00 0.00 H new ATOM 0 HG22 THR A 171 -3.941 1.765 9.179 1.00 0.00 H new ATOM 0 HG23 THR A 171 -5.502 2.174 9.929 1.00 0.00 H new ATOM 2556 N LEU A 172 -4.795 1.917 6.085 1.00 0.00 N ATOM 2557 CA LEU A 172 -3.757 2.226 5.108 1.00 0.00 C ATOM 2558 C LEU A 172 -2.722 3.184 5.694 1.00 0.00 C ATOM 2559 O LEU A 172 -3.039 4.321 6.046 1.00 0.00 O ATOM 2560 CB LEU A 172 -4.378 2.832 3.841 1.00 0.00 C ATOM 2561 CG LEU A 172 -3.383 3.401 2.817 1.00 0.00 C ATOM 2562 CD1 LEU A 172 -2.890 4.771 3.255 1.00 0.00 C ATOM 2563 CD2 LEU A 172 -2.211 2.450 2.612 1.00 0.00 C ATOM 0 H LEU A 172 -5.468 2.668 6.235 1.00 0.00 H new ATOM 0 HA LEU A 172 -3.254 1.296 4.846 1.00 0.00 H new ATOM 0 HB2 LEU A 172 -4.977 2.065 3.350 1.00 0.00 H new ATOM 0 HB3 LEU A 172 -5.060 3.628 4.138 1.00 0.00 H new ATOM 0 HG LEU A 172 -3.902 3.510 1.864 1.00 0.00 H new ATOM 0 HD11 LEU A 172 -2.187 5.157 2.517 1.00 0.00 H new ATOM 0 HD12 LEU A 172 -3.737 5.452 3.341 1.00 0.00 H new ATOM 0 HD13 LEU A 172 -2.393 4.687 4.221 1.00 0.00 H new ATOM 0 HD21 LEU A 172 -1.521 2.875 1.883 1.00 0.00 H new ATOM 0 HD22 LEU A 172 -1.692 2.302 3.559 1.00 0.00 H new ATOM 0 HD23 LEU A 172 -2.580 1.492 2.247 1.00 0.00 H new ATOM 2575 N HIS A 173 -1.480 2.717 5.784 1.00 0.00 N ATOM 2576 CA HIS A 173 -0.389 3.529 6.311 1.00 0.00 C ATOM 2577 C HIS A 173 0.419 4.135 5.167 1.00 0.00 C ATOM 2578 O HIS A 173 0.472 3.576 4.071 1.00 0.00 O ATOM 2579 CB HIS A 173 0.521 2.681 7.203 1.00 0.00 C ATOM 2580 CG HIS A 173 1.656 3.449 7.808 1.00 0.00 C ATOM 2581 ND1 HIS A 173 1.515 4.718 8.329 1.00 0.00 N ATOM 2582 CD2 HIS A 173 2.959 3.118 7.977 1.00 0.00 C ATOM 2583 CE1 HIS A 173 2.681 5.134 8.792 1.00 0.00 C ATOM 2584 NE2 HIS A 173 3.572 4.182 8.591 1.00 0.00 N ATOM 0 H HIS A 173 -1.204 1.778 5.498 1.00 0.00 H new ATOM 0 HA HIS A 173 -0.814 4.336 6.908 1.00 0.00 H new ATOM 0 HB2 HIS A 173 -0.076 2.242 8.002 1.00 0.00 H new ATOM 0 HB3 HIS A 173 0.924 1.856 6.616 1.00 0.00 H new ATOM 0 HD2 HIS A 173 3.428 2.190 7.684 1.00 0.00 H new ATOM 0 HE1 HIS A 173 2.872 6.090 9.256 1.00 0.00 H new ATOM 0 HE2 HIS A 173 4.557 4.229 8.850 1.00 0.00 H new ATOM 2592 N VAL A 174 1.043 5.280 5.422 1.00 0.00 N ATOM 2593 CA VAL A 174 1.841 5.951 4.400 1.00 0.00 C ATOM 2594 C VAL A 174 3.308 5.529 4.466 1.00 0.00 C ATOM 2595 O VAL A 174 3.723 4.602 3.770 1.00 0.00 O ATOM 2596 CB VAL A 174 1.746 7.494 4.492 1.00 0.00 C ATOM 2597 CG1 VAL A 174 0.669 8.015 3.554 1.00 0.00 C ATOM 2598 CG2 VAL A 174 1.483 7.953 5.920 1.00 0.00 C ATOM 0 H VAL A 174 1.013 5.761 6.321 1.00 0.00 H new ATOM 0 HA VAL A 174 1.421 5.640 3.443 1.00 0.00 H new ATOM 0 HB VAL A 174 2.707 7.907 4.186 1.00 0.00 H new ATOM 0 HG11 VAL A 174 0.614 9.101 3.630 1.00 0.00 H new ATOM 0 HG12 VAL A 174 0.912 7.735 2.529 1.00 0.00 H new ATOM 0 HG13 VAL A 174 -0.293 7.583 3.829 1.00 0.00 H new ATOM 0 HG21 VAL A 174 1.422 9.041 5.947 1.00 0.00 H new ATOM 0 HG22 VAL A 174 0.543 7.528 6.271 1.00 0.00 H new ATOM 0 HG23 VAL A 174 2.296 7.619 6.565 1.00 0.00 H new ATOM 2608 N HIS A 175 4.096 6.213 5.295 1.00 0.00 N ATOM 2609 CA HIS A 175 5.514 5.900 5.428 1.00 0.00 C ATOM 2610 C HIS A 175 6.203 5.966 4.068 1.00 0.00 C ATOM 2611 O HIS A 175 6.638 4.948 3.528 1.00 0.00 O ATOM 2612 CB HIS A 175 5.697 4.512 6.046 1.00 0.00 C ATOM 2613 CG HIS A 175 6.864 4.423 6.980 1.00 0.00 C ATOM 2614 ND1 HIS A 175 7.536 3.246 7.236 1.00 0.00 N ATOM 2615 CD2 HIS A 175 7.480 5.375 7.721 1.00 0.00 C ATOM 2616 CE1 HIS A 175 8.513 3.477 8.095 1.00 0.00 C ATOM 2617 NE2 HIS A 175 8.501 4.760 8.404 1.00 0.00 N ATOM 0 H HIS A 175 3.776 6.984 5.881 1.00 0.00 H new ATOM 0 HA HIS A 175 5.971 6.639 6.087 1.00 0.00 H new ATOM 0 HB2 HIS A 175 4.789 4.240 6.585 1.00 0.00 H new ATOM 0 HB3 HIS A 175 5.824 3.781 5.247 1.00 0.00 H new ATOM 0 HD2 HIS A 175 7.218 6.422 7.766 1.00 0.00 H new ATOM 0 HE1 HIS A 175 9.204 2.741 8.479 1.00 0.00 H new ATOM 0 HE2 HIS A 175 9.146 5.221 9.046 1.00 0.00 H new ATOM 2625 N TYR A 176 6.292 7.172 3.515 1.00 0.00 N ATOM 2626 CA TYR A 176 6.920 7.370 2.213 1.00 0.00 C ATOM 2627 C TYR A 176 8.132 8.277 2.317 1.00 0.00 C ATOM 2628 O TYR A 176 8.248 9.078 3.245 1.00 0.00 O ATOM 2629 CB TYR A 176 5.924 7.971 1.218 1.00 0.00 C ATOM 2630 CG TYR A 176 5.427 9.353 1.594 1.00 0.00 C ATOM 2631 CD1 TYR A 176 4.588 9.543 2.690 1.00 0.00 C ATOM 2632 CD2 TYR A 176 5.796 10.471 0.852 1.00 0.00 C ATOM 2633 CE1 TYR A 176 4.136 10.802 3.032 1.00 0.00 C ATOM 2634 CE2 TYR A 176 5.348 11.732 1.191 1.00 0.00 C ATOM 2635 CZ TYR A 176 4.519 11.892 2.281 1.00 0.00 C ATOM 2636 OH TYR A 176 4.072 13.147 2.621 1.00 0.00 O ATOM 0 H TYR A 176 5.938 8.025 3.947 1.00 0.00 H new ATOM 0 HA TYR A 176 7.243 6.392 1.857 1.00 0.00 H new ATOM 0 HB2 TYR A 176 6.394 8.021 0.236 1.00 0.00 H new ATOM 0 HB3 TYR A 176 5.069 7.302 1.128 1.00 0.00 H new ATOM 0 HD1 TYR A 176 4.286 8.691 3.282 1.00 0.00 H new ATOM 0 HD2 TYR A 176 6.444 10.350 -0.004 1.00 0.00 H new ATOM 0 HE1 TYR A 176 3.485 10.932 3.884 1.00 0.00 H new ATOM 0 HE2 TYR A 176 5.645 12.589 0.605 1.00 0.00 H new ATOM 0 HH TYR A 176 3.338 13.406 2.025 1.00 0.00 H new ATOM 2646 N ARG A 177 9.028 8.155 1.347 1.00 0.00 N ATOM 2647 CA ARG A 177 10.224 8.975 1.320 1.00 0.00 C ATOM 2648 C ARG A 177 10.955 8.831 -0.012 1.00 0.00 C ATOM 2649 O ARG A 177 11.787 7.940 -0.182 1.00 0.00 O ATOM 2650 CB ARG A 177 11.156 8.600 2.474 1.00 0.00 C ATOM 2651 CG ARG A 177 12.211 9.653 2.770 1.00 0.00 C ATOM 2652 CD ARG A 177 12.644 9.612 4.227 1.00 0.00 C ATOM 2653 NE ARG A 177 13.213 8.317 4.593 1.00 0.00 N ATOM 2654 CZ ARG A 177 13.342 7.892 5.848 1.00 0.00 C ATOM 2655 NH1 ARG A 177 12.945 8.656 6.859 1.00 0.00 N ATOM 2656 NH2 ARG A 177 13.869 6.701 6.093 1.00 0.00 N ATOM 0 H ARG A 177 8.947 7.497 0.572 1.00 0.00 H new ATOM 0 HA ARG A 177 9.921 10.016 1.435 1.00 0.00 H new ATOM 0 HB2 ARG A 177 10.560 8.432 3.371 1.00 0.00 H new ATOM 0 HB3 ARG A 177 11.651 7.658 2.239 1.00 0.00 H new ATOM 0 HG2 ARG A 177 13.077 9.493 2.127 1.00 0.00 H new ATOM 0 HG3 ARG A 177 11.817 10.641 2.534 1.00 0.00 H new ATOM 0 HD2 ARG A 177 13.380 10.396 4.409 1.00 0.00 H new ATOM 0 HD3 ARG A 177 11.787 9.825 4.866 1.00 0.00 H new ATOM 0 HE ARG A 177 13.530 7.703 3.843 1.00 0.00 H new ATOM 0 HH11 ARG A 177 12.539 9.574 6.676 1.00 0.00 H new ATOM 0 HH12 ARG A 177 13.046 8.325 7.819 1.00 0.00 H new ATOM 0 HH21 ARG A 177 14.176 6.110 5.320 1.00 0.00 H new ATOM 0 HH22 ARG A 177 13.968 6.375 7.054 1.00 0.00 H new