USER MOD reduce.3.24.130724 H: found=0, std=0, add=1024, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1023 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 105 GLN : amide:sc= -6.73! C(o=-16!,f=-30!) USER MOD Set 1.2: A 107 ASN :FLIP amide:sc= -9.05! C(o=-20!,f=-16!) USER MOD Set 2.1: A 103 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 116 GLN :FLIP amide:sc= -1.97! C(o=-3.7!,f=-2!) USER MOD Set 3.1: A 27 GLN : amide:sc= -2.06! C(o=-5.4!,f=-10!) USER MOD Set 3.2: A 62 HIS : no HE2:sc= -3.34! C(o=-5.4!,f=-11!) USER MOD Single : A 8 GLN : amide:sc= -3.65! C(o=-3.7!,f=-7.7!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.252 X(o=-0.25,f=-0.25) USER MOD Single : A 15 THR OG1 : rot -15:sc= 0.421 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot -150:sc= -1.66 USER MOD Single : A 31 CYS SG : rot 180:sc= -3.92! USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN :FLIP amide:sc= -0.292 F(o=-1.1,f=-0.29) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc=-0.000434 K(o=-0.00043,f=-0.56) USER MOD Single : A 53 GLN : amide:sc= -1.9 K(o=-1.9,f=-4.3!) USER MOD Single : A 55 HIS : no HE2:sc= -1.91! C(o=-1.9!,f=-3.3!) USER MOD Single : A 60 TYR OH : rot 180:sc= -0.453 USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.194 USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot -40:sc= 1.2 USER MOD Single : A 73 SER OG : rot 180:sc= -0.0621 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 179:sc= 0.331 (180deg=0.293) USER MOD Single : A 85 MET CE :methyl 140:sc= -2.19! (180deg=-7.44!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 25:sc= 0.381 USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.455 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 SER OG : rot 180:sc= -0.119 USER MOD Single : A 122 HIS : no HD1:sc= -0.382 X(o=-0.38,f=-0.21) USER MOD Single : A 123 THR OG1 : rot 117:sc= 0.804 USER MOD Single : A 125 THR OG1 : rot 180:sc= 0.0122 USER MOD Single : A 128 GLN :FLIP amide:sc= -0.0219 F(o=-0.53,f=-0.022) USER MOD Single : A 134 CYS SG : rot 180:sc= -1.25 USER MOD Single : A 150 SER OG : rot -95:sc= 0.156 USER MOD Single : A 152 HIS : no HD1:sc= -2.14 K(o=-2.1,f=-2.7!) USER MOD Single : A 153 THR OG1 : rot 7:sc= 0.759! USER MOD Single : A 154 CYS SG : rot 180:sc= -0.206 USER MOD ----------------------------------------------------------------- ATOM 78 N ASP A 7 -10.804 8.932 -5.919 1.00 1.00 N ATOM 79 CA ASP A 7 -10.015 9.897 -5.152 1.00 1.00 C ATOM 80 C ASP A 7 -9.290 9.209 -3.994 1.00 1.00 C ATOM 81 O ASP A 7 -9.354 9.659 -2.850 1.00 1.00 O ATOM 82 CB ASP A 7 -10.910 11.014 -4.607 1.00 1.00 C ATOM 83 CG ASP A 7 -11.383 11.908 -5.748 1.00 1.00 C ATOM 84 OD1 ASP A 7 -10.799 11.829 -6.815 1.00 1.00 O ATOM 85 OD2 ASP A 7 -12.318 12.663 -5.536 1.00 1.00 O ATOM 0 HA ASP A 7 -9.274 10.330 -5.824 1.00 1.00 H new ATOM 0 HB2 ASP A 7 -11.769 10.584 -4.091 1.00 1.00 H new ATOM 0 HB3 ASP A 7 -10.361 11.606 -3.874 1.00 1.00 H new ATOM 90 N GLN A 8 -8.595 8.125 -4.308 1.00 1.00 N ATOM 91 CA GLN A 8 -7.851 7.385 -3.293 1.00 1.00 C ATOM 92 C GLN A 8 -6.735 8.252 -2.700 1.00 1.00 C ATOM 93 O GLN A 8 -6.591 8.351 -1.484 1.00 1.00 O ATOM 94 CB GLN A 8 -7.228 6.139 -3.913 1.00 1.00 C ATOM 95 CG GLN A 8 -8.299 5.247 -4.533 1.00 1.00 C ATOM 96 CD GLN A 8 -9.240 4.713 -3.467 1.00 1.00 C ATOM 97 OE1 GLN A 8 -8.969 4.835 -2.275 1.00 1.00 O ATOM 98 NE2 GLN A 8 -10.329 4.107 -3.832 1.00 1.00 N ATOM 0 H GLN A 8 -8.529 7.739 -5.250 1.00 1.00 H new ATOM 0 HA GLN A 8 -8.545 7.102 -2.502 1.00 1.00 H new ATOM 0 HB2 GLN A 8 -6.505 6.430 -4.675 1.00 1.00 H new ATOM 0 HB3 GLN A 8 -6.682 5.583 -3.151 1.00 1.00 H new ATOM 0 HG2 GLN A 8 -8.865 5.812 -5.274 1.00 1.00 H new ATOM 0 HG3 GLN A 8 -7.828 4.416 -5.058 1.00 1.00 H new ATOM 0 HE21 GLN A 8 -10.550 4.008 -4.823 1.00 1.00 H new ATOM 0 HE22 GLN A 8 -10.963 3.730 -3.128 1.00 1.00 H new ATOM 107 N SER A 9 -5.922 8.846 -3.570 1.00 1.00 N ATOM 108 CA SER A 9 -4.802 9.672 -3.114 1.00 1.00 C ATOM 109 C SER A 9 -5.259 10.701 -2.086 1.00 1.00 C ATOM 110 O SER A 9 -4.593 10.909 -1.071 1.00 1.00 O ATOM 111 CB SER A 9 -4.166 10.401 -4.295 1.00 1.00 C ATOM 112 OG SER A 9 -3.724 9.453 -5.255 1.00 1.00 O ATOM 0 H SER A 9 -6.014 8.774 -4.583 1.00 1.00 H new ATOM 0 HA SER A 9 -4.071 9.009 -2.651 1.00 1.00 H new ATOM 0 HB2 SER A 9 -4.887 11.082 -4.746 1.00 1.00 H new ATOM 0 HB3 SER A 9 -3.327 11.006 -3.953 1.00 1.00 H new ATOM 0 HG SER A 9 -3.317 9.921 -6.014 1.00 1.00 H new ATOM 118 N VAL A 10 -6.391 11.344 -2.346 1.00 1.00 N ATOM 119 CA VAL A 10 -6.908 12.342 -1.421 1.00 1.00 C ATOM 120 C VAL A 10 -7.208 11.700 -0.069 1.00 1.00 C ATOM 121 O VAL A 10 -6.832 12.223 0.979 1.00 1.00 O ATOM 122 CB VAL A 10 -8.182 12.963 -1.995 1.00 1.00 C ATOM 123 CG1 VAL A 10 -8.782 13.951 -0.989 1.00 1.00 C ATOM 124 CG2 VAL A 10 -7.847 13.687 -3.303 1.00 1.00 C ATOM 0 H VAL A 10 -6.961 11.195 -3.178 1.00 1.00 H new ATOM 0 HA VAL A 10 -6.158 13.121 -1.282 1.00 1.00 H new ATOM 0 HB VAL A 10 -8.911 12.177 -2.192 1.00 1.00 H new ATOM 0 HG11 VAL A 10 -9.689 14.389 -1.406 1.00 1.00 H new ATOM 0 HG12 VAL A 10 -9.024 13.427 -0.064 1.00 1.00 H new ATOM 0 HG13 VAL A 10 -8.061 14.741 -0.780 1.00 1.00 H new ATOM 0 HG21 VAL A 10 -8.753 14.131 -3.715 1.00 1.00 H new ATOM 0 HG22 VAL A 10 -7.115 14.471 -3.108 1.00 1.00 H new ATOM 0 HG23 VAL A 10 -7.434 12.975 -4.018 1.00 1.00 H new ATOM 134 N ALA A 11 -7.910 10.566 -0.109 1.00 1.00 N ATOM 135 CA ALA A 11 -8.294 9.856 1.107 1.00 1.00 C ATOM 136 C ALA A 11 -7.178 9.897 2.142 1.00 1.00 C ATOM 137 O ALA A 11 -7.432 10.129 3.324 1.00 1.00 O ATOM 138 CB ALA A 11 -8.626 8.395 0.788 1.00 1.00 C ATOM 0 H ALA A 11 -8.223 10.121 -0.972 1.00 1.00 H new ATOM 0 HA ALA A 11 -9.174 10.353 1.515 1.00 1.00 H new ATOM 0 HB1 ALA A 11 -8.911 7.878 1.704 1.00 1.00 H new ATOM 0 HB2 ALA A 11 -9.452 8.356 0.078 1.00 1.00 H new ATOM 0 HB3 ALA A 11 -7.752 7.910 0.354 1.00 1.00 H new ATOM 144 N ILE A 12 -5.950 9.654 1.706 1.00 1.00 N ATOM 145 CA ILE A 12 -4.826 9.650 2.628 1.00 1.00 C ATOM 146 C ILE A 12 -4.669 11.017 3.288 1.00 1.00 C ATOM 147 O ILE A 12 -4.603 11.126 4.505 1.00 1.00 O ATOM 148 CB ILE A 12 -3.544 9.315 1.866 1.00 1.00 C ATOM 149 CG1 ILE A 12 -3.740 8.024 1.062 1.00 1.00 C ATOM 150 CG2 ILE A 12 -2.379 9.141 2.842 1.00 1.00 C ATOM 151 CD1 ILE A 12 -4.229 6.888 1.968 1.00 1.00 C ATOM 0 H ILE A 12 -5.710 9.460 0.734 1.00 1.00 H new ATOM 0 HA ILE A 12 -5.011 8.902 3.399 1.00 1.00 H new ATOM 0 HB ILE A 12 -3.316 10.135 1.185 1.00 1.00 H new ATOM 0 HG12 ILE A 12 -4.461 8.194 0.263 1.00 1.00 H new ATOM 0 HG13 ILE A 12 -2.801 7.739 0.588 1.00 1.00 H new ATOM 0 HG21 ILE A 12 -1.472 8.903 2.287 1.00 1.00 H new ATOM 0 HG22 ILE A 12 -2.231 10.066 3.400 1.00 1.00 H new ATOM 0 HG23 ILE A 12 -2.603 8.331 3.536 1.00 1.00 H new ATOM 0 HD11 ILE A 12 -4.361 5.982 1.376 1.00 1.00 H new ATOM 0 HD12 ILE A 12 -3.494 6.706 2.752 1.00 1.00 H new ATOM 0 HD13 ILE A 12 -5.180 7.168 2.421 1.00 1.00 H new ATOM 163 N GLN A 13 -4.590 12.044 2.458 1.00 1.00 N ATOM 164 CA GLN A 13 -4.415 13.401 2.971 1.00 1.00 C ATOM 165 C GLN A 13 -5.539 13.732 3.949 1.00 1.00 C ATOM 166 O GLN A 13 -5.282 14.110 5.091 1.00 1.00 O ATOM 167 CB GLN A 13 -4.362 14.423 1.810 1.00 1.00 C ATOM 168 CG GLN A 13 -2.935 14.980 1.671 1.00 1.00 C ATOM 169 CD GLN A 13 -2.590 15.816 2.907 1.00 1.00 C ATOM 170 OE1 GLN A 13 -3.249 16.820 3.171 1.00 1.00 O ATOM 171 NE2 GLN A 13 -1.603 15.458 3.699 1.00 1.00 N ATOM 0 H GLN A 13 -4.643 11.972 1.442 1.00 1.00 H new ATOM 0 HA GLN A 13 -3.465 13.460 3.503 1.00 1.00 H new ATOM 0 HB2 GLN A 13 -4.668 13.946 0.879 1.00 1.00 H new ATOM 0 HB3 GLN A 13 -5.063 15.236 1.997 1.00 1.00 H new ATOM 0 HG2 GLN A 13 -2.223 14.162 1.562 1.00 1.00 H new ATOM 0 HG3 GLN A 13 -2.858 15.592 0.772 1.00 1.00 H new ATOM 0 HE21 GLN A 13 -1.053 14.626 3.485 1.00 1.00 H new ATOM 0 HE22 GLN A 13 -1.387 16.012 4.528 1.00 1.00 H new ATOM 180 N GLU A 14 -6.781 13.579 3.511 1.00 1.00 N ATOM 181 CA GLU A 14 -7.916 13.859 4.376 1.00 1.00 C ATOM 182 C GLU A 14 -7.775 13.116 5.704 1.00 1.00 C ATOM 183 O GLU A 14 -8.488 13.402 6.665 1.00 1.00 O ATOM 184 CB GLU A 14 -9.206 13.424 3.670 1.00 1.00 C ATOM 185 CG GLU A 14 -9.441 14.303 2.437 1.00 1.00 C ATOM 186 CD GLU A 14 -9.740 15.738 2.860 1.00 1.00 C ATOM 187 OE1 GLU A 14 -10.133 15.928 4.000 1.00 1.00 O ATOM 188 OE2 GLU A 14 -9.574 16.624 2.039 1.00 1.00 O ATOM 0 H GLU A 14 -7.026 13.266 2.572 1.00 1.00 H new ATOM 0 HA GLU A 14 -7.951 14.929 4.583 1.00 1.00 H new ATOM 0 HB2 GLU A 14 -9.135 12.377 3.374 1.00 1.00 H new ATOM 0 HB3 GLU A 14 -10.051 13.506 4.353 1.00 1.00 H new ATOM 0 HG2 GLU A 14 -8.561 14.282 1.794 1.00 1.00 H new ATOM 0 HG3 GLU A 14 -10.272 13.908 1.853 1.00 1.00 H new ATOM 195 N THR A 15 -6.845 12.160 5.746 1.00 1.00 N ATOM 196 CA THR A 15 -6.607 11.370 6.961 1.00 1.00 C ATOM 197 C THR A 15 -5.201 11.605 7.523 1.00 1.00 C ATOM 198 O THR A 15 -4.963 11.411 8.714 1.00 1.00 O ATOM 199 CB THR A 15 -6.775 9.880 6.644 1.00 1.00 C ATOM 200 OG1 THR A 15 -5.761 9.480 5.733 1.00 1.00 O ATOM 201 CG2 THR A 15 -8.156 9.614 6.022 1.00 1.00 C ATOM 0 H THR A 15 -6.246 11.913 4.958 1.00 1.00 H new ATOM 0 HA THR A 15 -7.333 11.686 7.711 1.00 1.00 H new ATOM 0 HB THR A 15 -6.693 9.309 7.569 1.00 1.00 H new ATOM 0 HG1 THR A 15 -5.344 10.274 5.338 1.00 1.00 H new ATOM 0 HG21 THR A 15 -8.258 8.551 5.803 1.00 1.00 H new ATOM 0 HG22 THR A 15 -8.935 9.917 6.722 1.00 1.00 H new ATOM 0 HG23 THR A 15 -8.256 10.185 5.099 1.00 1.00 H new ATOM 209 N LEU A 16 -4.272 12.007 6.662 1.00 1.00 N ATOM 210 CA LEU A 16 -2.893 12.240 7.088 1.00 1.00 C ATOM 211 C LEU A 16 -2.747 13.627 7.701 1.00 1.00 C ATOM 212 O LEU A 16 -3.452 14.561 7.322 1.00 1.00 O ATOM 213 CB LEU A 16 -1.944 12.091 5.891 1.00 1.00 C ATOM 214 CG LEU A 16 -0.500 11.852 6.376 1.00 1.00 C ATOM 215 CD1 LEU A 16 -0.351 10.434 6.975 1.00 1.00 C ATOM 216 CD2 LEU A 16 0.465 12.017 5.188 1.00 1.00 C ATOM 0 H LEU A 16 -4.445 12.178 5.671 1.00 1.00 H new ATOM 0 HA LEU A 16 -2.634 11.500 7.845 1.00 1.00 H new ATOM 0 HB2 LEU A 16 -2.266 11.259 5.265 1.00 1.00 H new ATOM 0 HB3 LEU A 16 -1.983 12.989 5.274 1.00 1.00 H new ATOM 0 HG LEU A 16 -0.263 12.579 7.152 1.00 1.00 H new ATOM 0 HD11 LEU A 16 0.676 10.287 7.311 1.00 1.00 H new ATOM 0 HD12 LEU A 16 -1.029 10.323 7.821 1.00 1.00 H new ATOM 0 HD13 LEU A 16 -0.594 9.691 6.216 1.00 1.00 H new ATOM 0 HD21 LEU A 16 1.488 11.849 5.524 1.00 1.00 H new ATOM 0 HD22 LEU A 16 0.215 11.293 4.413 1.00 1.00 H new ATOM 0 HD23 LEU A 16 0.376 13.026 4.785 1.00 1.00 H new ATOM 228 N VAL A 17 -1.820 13.760 8.642 1.00 1.00 N ATOM 229 CA VAL A 17 -1.587 15.038 9.291 1.00 1.00 C ATOM 230 C VAL A 17 -0.739 15.913 8.381 1.00 1.00 C ATOM 231 O VAL A 17 -0.427 15.527 7.257 1.00 1.00 O ATOM 232 CB VAL A 17 -0.876 14.836 10.632 1.00 1.00 C ATOM 233 CG1 VAL A 17 -1.747 13.982 11.555 1.00 1.00 C ATOM 234 CG2 VAL A 17 0.460 14.127 10.396 1.00 1.00 C ATOM 0 H VAL A 17 -1.222 13.001 8.969 1.00 1.00 H new ATOM 0 HA VAL A 17 -2.545 15.523 9.479 1.00 1.00 H new ATOM 0 HB VAL A 17 -0.700 15.806 11.097 1.00 1.00 H new ATOM 0 HG11 VAL A 17 -1.237 13.841 12.508 1.00 1.00 H new ATOM 0 HG12 VAL A 17 -2.700 14.484 11.724 1.00 1.00 H new ATOM 0 HG13 VAL A 17 -1.926 13.012 11.092 1.00 1.00 H new ATOM 0 HG21 VAL A 17 0.968 13.982 11.349 1.00 1.00 H new ATOM 0 HG22 VAL A 17 0.280 13.158 9.929 1.00 1.00 H new ATOM 0 HG23 VAL A 17 1.084 14.735 9.741 1.00 1.00 H new ATOM 244 N GLU A 18 -0.386 17.096 8.857 1.00 1.00 N ATOM 245 CA GLU A 18 0.408 18.018 8.059 1.00 1.00 C ATOM 246 C GLU A 18 1.880 17.616 8.029 1.00 1.00 C ATOM 247 O GLU A 18 2.264 16.546 8.503 1.00 1.00 O ATOM 248 CB GLU A 18 0.276 19.430 8.627 1.00 1.00 C ATOM 249 CG GLU A 18 0.722 19.429 10.090 1.00 1.00 C ATOM 250 CD GLU A 18 0.594 20.830 10.672 1.00 1.00 C ATOM 251 OE1 GLU A 18 0.773 21.780 9.929 1.00 1.00 O ATOM 252 OE2 GLU A 18 0.315 20.933 11.856 1.00 1.00 O ATOM 0 H GLU A 18 -0.634 17.439 9.785 1.00 1.00 H new ATOM 0 HA GLU A 18 0.031 17.987 7.037 1.00 1.00 H new ATOM 0 HB2 GLU A 18 0.885 20.125 8.049 1.00 1.00 H new ATOM 0 HB3 GLU A 18 -0.757 19.771 8.550 1.00 1.00 H new ATOM 0 HG2 GLU A 18 0.114 18.730 10.664 1.00 1.00 H new ATOM 0 HG3 GLU A 18 1.755 19.088 10.164 1.00 1.00 H new ATOM 259 N GLY A 19 2.698 18.510 7.488 1.00 1.00 N ATOM 260 CA GLY A 19 4.136 18.286 7.409 1.00 1.00 C ATOM 261 C GLY A 19 4.481 17.098 6.523 1.00 1.00 C ATOM 262 O GLY A 19 5.475 17.131 5.799 1.00 1.00 O ATOM 0 H GLY A 19 2.389 19.400 7.096 1.00 1.00 H new ATOM 0 HA2 GLY A 19 4.621 19.181 7.020 1.00 1.00 H new ATOM 0 HA3 GLY A 19 4.532 18.118 8.411 1.00 1.00 H new ATOM 266 N GLU A 20 3.677 16.041 6.584 1.00 1.00 N ATOM 267 CA GLU A 20 3.950 14.857 5.779 1.00 1.00 C ATOM 268 C GLU A 20 3.548 15.066 4.324 1.00 1.00 C ATOM 269 O GLU A 20 3.033 16.121 3.951 1.00 1.00 O ATOM 270 CB GLU A 20 3.224 13.649 6.362 1.00 1.00 C ATOM 271 CG GLU A 20 3.934 13.192 7.638 1.00 1.00 C ATOM 272 CD GLU A 20 3.110 12.116 8.332 1.00 1.00 C ATOM 273 OE1 GLU A 20 2.035 11.811 7.840 1.00 1.00 O ATOM 274 OE2 GLU A 20 3.566 11.613 9.345 1.00 1.00 O ATOM 0 H GLU A 20 2.846 15.980 7.172 1.00 1.00 H new ATOM 0 HA GLU A 20 5.024 14.675 5.802 1.00 1.00 H new ATOM 0 HB2 GLU A 20 2.188 13.906 6.582 1.00 1.00 H new ATOM 0 HB3 GLU A 20 3.204 12.838 5.634 1.00 1.00 H new ATOM 0 HG2 GLU A 20 4.924 12.805 7.395 1.00 1.00 H new ATOM 0 HG3 GLU A 20 4.079 14.040 8.308 1.00 1.00 H new ATOM 281 N TYR A 21 3.820 14.051 3.506 1.00 1.00 N ATOM 282 CA TYR A 21 3.520 14.112 2.076 1.00 1.00 C ATOM 283 C TYR A 21 3.021 12.772 1.563 1.00 1.00 C ATOM 284 O TYR A 21 3.731 11.770 1.633 1.00 1.00 O ATOM 285 CB TYR A 21 4.794 14.485 1.325 1.00 1.00 C ATOM 286 CG TYR A 21 4.480 14.808 -0.113 1.00 1.00 C ATOM 287 CD1 TYR A 21 4.110 16.110 -0.478 1.00 1.00 C ATOM 288 CD2 TYR A 21 4.571 13.807 -1.082 1.00 1.00 C ATOM 289 CE1 TYR A 21 3.829 16.404 -1.816 1.00 1.00 C ATOM 290 CE2 TYR A 21 4.289 14.099 -2.419 1.00 1.00 C ATOM 291 CZ TYR A 21 3.919 15.398 -2.788 1.00 1.00 C ATOM 292 OH TYR A 21 3.641 15.687 -4.107 1.00 1.00 O ATOM 0 H TYR A 21 4.248 13.176 3.809 1.00 1.00 H new ATOM 0 HA TYR A 21 2.740 14.856 1.914 1.00 1.00 H new ATOM 0 HB2 TYR A 21 5.267 15.343 1.802 1.00 1.00 H new ATOM 0 HB3 TYR A 21 5.506 13.661 1.372 1.00 1.00 H new ATOM 0 HD1 TYR A 21 4.042 16.884 0.272 1.00 1.00 H new ATOM 0 HD2 TYR A 21 4.860 12.806 -0.798 1.00 1.00 H new ATOM 0 HE1 TYR A 21 3.543 17.406 -2.100 1.00 1.00 H new ATOM 0 HE2 TYR A 21 4.356 13.323 -3.167 1.00 1.00 H new ATOM 0 HH TYR A 21 3.752 14.878 -4.649 1.00 1.00 H new ATOM 302 N CYS A 22 1.825 12.768 0.983 1.00 1.00 N ATOM 303 CA CYS A 22 1.278 11.552 0.399 1.00 1.00 C ATOM 304 C CYS A 22 1.721 11.494 -1.051 1.00 1.00 C ATOM 305 O CYS A 22 1.798 12.527 -1.719 1.00 1.00 O ATOM 306 CB CYS A 22 -0.249 11.543 0.497 1.00 1.00 C ATOM 307 SG CYS A 22 -0.876 9.947 -0.083 1.00 1.00 S ATOM 0 H CYS A 22 1.222 13.587 0.906 1.00 1.00 H new ATOM 0 HA CYS A 22 1.642 10.679 0.940 1.00 1.00 H new ATOM 0 HB2 CYS A 22 -0.560 11.716 1.527 1.00 1.00 H new ATOM 0 HB3 CYS A 22 -0.668 12.351 -0.103 1.00 1.00 H new ATOM 0 HG CYS A 22 -2.059 10.107 -0.599 1.00 1.00 H new ATOM 313 N VAL A 23 2.012 10.300 -1.550 1.00 1.00 N ATOM 314 CA VAL A 23 2.453 10.142 -2.942 1.00 1.00 C ATOM 315 C VAL A 23 1.395 9.460 -3.802 1.00 1.00 C ATOM 316 O VAL A 23 1.088 9.915 -4.903 1.00 1.00 O ATOM 317 CB VAL A 23 3.721 9.290 -2.966 1.00 1.00 C ATOM 318 CG1 VAL A 23 4.195 9.094 -4.410 1.00 1.00 C ATOM 319 CG2 VAL A 23 4.811 9.991 -2.157 1.00 1.00 C ATOM 0 H VAL A 23 1.953 9.429 -1.022 1.00 1.00 H new ATOM 0 HA VAL A 23 2.635 11.136 -3.350 1.00 1.00 H new ATOM 0 HB VAL A 23 3.509 8.314 -2.530 1.00 1.00 H new ATOM 0 HG11 VAL A 23 5.099 8.486 -4.417 1.00 1.00 H new ATOM 0 HG12 VAL A 23 3.416 8.592 -4.984 1.00 1.00 H new ATOM 0 HG13 VAL A 23 4.408 10.065 -4.858 1.00 1.00 H new ATOM 0 HG21 VAL A 23 5.719 9.388 -2.170 1.00 1.00 H new ATOM 0 HG22 VAL A 23 5.018 10.968 -2.595 1.00 1.00 H new ATOM 0 HG23 VAL A 23 4.475 10.119 -1.128 1.00 1.00 H new ATOM 329 N ILE A 24 0.858 8.355 -3.303 1.00 1.00 N ATOM 330 CA ILE A 24 -0.142 7.609 -4.051 1.00 1.00 C ATOM 331 C ILE A 24 -0.845 6.597 -3.157 1.00 1.00 C ATOM 332 O ILE A 24 -0.372 6.280 -2.066 1.00 1.00 O ATOM 333 CB ILE A 24 0.543 6.903 -5.226 1.00 1.00 C ATOM 334 CG1 ILE A 24 -0.468 6.073 -6.022 1.00 1.00 C ATOM 335 CG2 ILE A 24 1.651 5.985 -4.708 1.00 1.00 C ATOM 336 CD1 ILE A 24 0.168 5.646 -7.351 1.00 1.00 C ATOM 0 H ILE A 24 1.095 7.959 -2.393 1.00 1.00 H new ATOM 0 HA ILE A 24 -0.898 8.298 -4.427 1.00 1.00 H new ATOM 0 HB ILE A 24 0.970 7.664 -5.880 1.00 1.00 H new ATOM 0 HG12 ILE A 24 -0.768 5.195 -5.449 1.00 1.00 H new ATOM 0 HG13 ILE A 24 -1.370 6.656 -6.207 1.00 1.00 H new ATOM 0 HG21 ILE A 24 2.133 5.487 -5.549 1.00 1.00 H new ATOM 0 HG22 ILE A 24 2.389 6.576 -4.165 1.00 1.00 H new ATOM 0 HG23 ILE A 24 1.222 5.237 -4.041 1.00 1.00 H new ATOM 0 HD11 ILE A 24 -0.547 5.054 -7.923 1.00 1.00 H new ATOM 0 HD12 ILE A 24 0.446 6.532 -7.923 1.00 1.00 H new ATOM 0 HD13 ILE A 24 1.058 5.048 -7.153 1.00 1.00 H new ATOM 348 N ALA A 25 -1.979 6.099 -3.627 1.00 1.00 N ATOM 349 CA ALA A 25 -2.749 5.127 -2.872 1.00 1.00 C ATOM 350 C ALA A 25 -3.845 4.556 -3.740 1.00 1.00 C ATOM 351 O ALA A 25 -4.704 5.286 -4.195 1.00 1.00 O ATOM 352 CB ALA A 25 -3.391 5.797 -1.659 1.00 1.00 C ATOM 0 H ALA A 25 -2.385 6.353 -4.528 1.00 1.00 H new ATOM 0 HA ALA A 25 -2.079 4.332 -2.545 1.00 1.00 H new ATOM 0 HB1 ALA A 25 -3.967 5.060 -1.099 1.00 1.00 H new ATOM 0 HB2 ALA A 25 -2.613 6.213 -1.019 1.00 1.00 H new ATOM 0 HB3 ALA A 25 -4.052 6.597 -1.993 1.00 1.00 H new ATOM 358 N VAL A 26 -3.807 3.255 -3.986 1.00 1.00 N ATOM 359 CA VAL A 26 -4.826 2.613 -4.821 1.00 1.00 C ATOM 360 C VAL A 26 -5.793 1.840 -3.938 1.00 1.00 C ATOM 361 O VAL A 26 -5.774 1.980 -2.715 1.00 1.00 O ATOM 362 CB VAL A 26 -4.141 1.669 -5.824 1.00 1.00 C ATOM 363 CG1 VAL A 26 -5.140 1.186 -6.914 1.00 1.00 C ATOM 364 CG2 VAL A 26 -2.952 2.412 -6.475 1.00 1.00 C ATOM 0 H VAL A 26 -3.091 2.623 -3.626 1.00 1.00 H new ATOM 0 HA VAL A 26 -5.384 3.370 -5.372 1.00 1.00 H new ATOM 0 HB VAL A 26 -3.782 0.786 -5.295 1.00 1.00 H new ATOM 0 HG11 VAL A 26 -4.627 0.520 -7.608 1.00 1.00 H new ATOM 0 HG12 VAL A 26 -5.964 0.652 -6.441 1.00 1.00 H new ATOM 0 HG13 VAL A 26 -5.530 2.047 -7.457 1.00 1.00 H new ATOM 0 HG21 VAL A 26 -2.458 1.753 -7.189 1.00 1.00 H new ATOM 0 HG22 VAL A 26 -3.317 3.299 -6.993 1.00 1.00 H new ATOM 0 HG23 VAL A 26 -2.242 2.709 -5.703 1.00 1.00 H new ATOM 374 N GLN A 27 -6.631 1.012 -4.552 1.00 1.00 N ATOM 375 CA GLN A 27 -7.588 0.203 -3.808 1.00 1.00 C ATOM 376 C GLN A 27 -7.559 -1.228 -4.325 1.00 1.00 C ATOM 377 O GLN A 27 -7.799 -1.477 -5.508 1.00 1.00 O ATOM 378 CB GLN A 27 -8.991 0.801 -3.973 1.00 1.00 C ATOM 379 CG GLN A 27 -9.925 0.308 -2.863 1.00 1.00 C ATOM 380 CD GLN A 27 -10.305 -1.146 -3.106 1.00 1.00 C ATOM 381 OE1 GLN A 27 -10.168 -1.645 -4.224 1.00 1.00 O ATOM 382 NE2 GLN A 27 -10.780 -1.858 -2.123 1.00 1.00 N ATOM 0 H GLN A 27 -6.667 0.884 -5.563 1.00 1.00 H new ATOM 0 HA GLN A 27 -7.324 0.198 -2.750 1.00 1.00 H new ATOM 0 HB2 GLN A 27 -8.933 1.889 -3.949 1.00 1.00 H new ATOM 0 HB3 GLN A 27 -9.397 0.525 -4.946 1.00 1.00 H new ATOM 0 HG2 GLN A 27 -9.435 0.407 -1.894 1.00 1.00 H new ATOM 0 HG3 GLN A 27 -10.822 0.926 -2.831 1.00 1.00 H new ATOM 0 HE21 GLN A 27 -10.892 -1.441 -1.199 1.00 1.00 H new ATOM 0 HE22 GLN A 27 -11.040 -2.832 -2.278 1.00 1.00 H new ATOM 391 N GLY A 28 -7.248 -2.166 -3.429 1.00 1.00 N ATOM 392 CA GLY A 28 -7.168 -3.578 -3.804 1.00 1.00 C ATOM 393 C GLY A 28 -7.994 -4.441 -2.870 1.00 1.00 C ATOM 394 O GLY A 28 -8.333 -4.031 -1.759 1.00 1.00 O ATOM 0 H GLY A 28 -7.049 -1.976 -2.447 1.00 1.00 H new ATOM 0 HA2 GLY A 28 -7.520 -3.706 -4.828 1.00 1.00 H new ATOM 0 HA3 GLY A 28 -6.128 -3.905 -3.781 1.00 1.00 H new ATOM 398 N VAL A 29 -8.301 -5.649 -3.326 1.00 1.00 N ATOM 399 CA VAL A 29 -9.075 -6.590 -2.530 1.00 1.00 C ATOM 400 C VAL A 29 -8.127 -7.581 -1.869 1.00 1.00 C ATOM 401 O VAL A 29 -6.970 -7.714 -2.267 1.00 1.00 O ATOM 402 CB VAL A 29 -10.076 -7.342 -3.425 1.00 1.00 C ATOM 403 CG1 VAL A 29 -11.173 -7.981 -2.564 1.00 1.00 C ATOM 404 CG2 VAL A 29 -10.718 -6.360 -4.409 1.00 1.00 C ATOM 0 H VAL A 29 -8.025 -5.999 -4.243 1.00 1.00 H new ATOM 0 HA VAL A 29 -9.630 -6.047 -1.765 1.00 1.00 H new ATOM 0 HB VAL A 29 -9.547 -8.122 -3.972 1.00 1.00 H new ATOM 0 HG11 VAL A 29 -11.877 -8.511 -3.206 1.00 1.00 H new ATOM 0 HG12 VAL A 29 -10.722 -8.683 -1.862 1.00 1.00 H new ATOM 0 HG13 VAL A 29 -11.701 -7.204 -2.011 1.00 1.00 H new ATOM 0 HG21 VAL A 29 -11.427 -6.892 -5.043 1.00 1.00 H new ATOM 0 HG22 VAL A 29 -11.240 -5.580 -3.856 1.00 1.00 H new ATOM 0 HG23 VAL A 29 -9.944 -5.908 -5.030 1.00 1.00 H new ATOM 414 N LEU A 30 -8.639 -8.292 -0.884 1.00 1.00 N ATOM 415 CA LEU A 30 -7.870 -9.308 -0.178 1.00 1.00 C ATOM 416 C LEU A 30 -8.803 -10.474 0.080 1.00 1.00 C ATOM 417 O LEU A 30 -9.818 -10.312 0.756 1.00 1.00 O ATOM 418 CB LEU A 30 -7.343 -8.757 1.155 1.00 1.00 C ATOM 419 CG LEU A 30 -6.559 -9.847 1.905 1.00 1.00 C ATOM 420 CD1 LEU A 30 -5.363 -10.319 1.064 1.00 1.00 C ATOM 421 CD2 LEU A 30 -6.071 -9.286 3.244 1.00 1.00 C ATOM 0 H LEU A 30 -9.596 -8.185 -0.548 1.00 1.00 H new ATOM 0 HA LEU A 30 -7.010 -9.616 -0.773 1.00 1.00 H new ATOM 0 HB2 LEU A 30 -6.700 -7.896 0.973 1.00 1.00 H new ATOM 0 HB3 LEU A 30 -8.175 -8.410 1.768 1.00 1.00 H new ATOM 0 HG LEU A 30 -7.212 -10.701 2.084 1.00 1.00 H new ATOM 0 HD11 LEU A 30 -4.818 -11.090 1.608 1.00 1.00 H new ATOM 0 HD12 LEU A 30 -5.721 -10.726 0.118 1.00 1.00 H new ATOM 0 HD13 LEU A 30 -4.700 -9.476 0.868 1.00 1.00 H new ATOM 0 HD21 LEU A 30 -5.515 -10.055 3.780 1.00 1.00 H new ATOM 0 HD22 LEU A 30 -5.423 -8.428 3.065 1.00 1.00 H new ATOM 0 HD23 LEU A 30 -6.928 -8.975 3.842 1.00 1.00 H new ATOM 433 N CYS A 31 -8.491 -11.643 -0.467 1.00 1.00 N ATOM 434 CA CYS A 31 -9.351 -12.806 -0.288 1.00 1.00 C ATOM 435 C CYS A 31 -8.751 -13.767 0.721 1.00 1.00 C ATOM 436 O CYS A 31 -7.596 -14.176 0.597 1.00 1.00 O ATOM 437 CB CYS A 31 -9.521 -13.526 -1.628 1.00 1.00 C ATOM 438 SG CYS A 31 -10.312 -15.134 -1.361 1.00 1.00 S ATOM 0 H CYS A 31 -7.658 -11.810 -1.032 1.00 1.00 H new ATOM 0 HA CYS A 31 -10.319 -12.467 0.081 1.00 1.00 H new ATOM 0 HB2 CYS A 31 -10.125 -12.920 -2.303 1.00 1.00 H new ATOM 0 HB3 CYS A 31 -8.550 -13.662 -2.104 1.00 1.00 H new ATOM 0 HG CYS A 31 -10.456 -15.741 -2.501 1.00 1.00 H new ATOM 444 N LYS A 32 -9.560 -14.154 1.697 1.00 1.00 N ATOM 445 CA LYS A 32 -9.133 -15.110 2.713 1.00 1.00 C ATOM 446 C LYS A 32 -10.059 -16.314 2.685 1.00 1.00 C ATOM 447 O LYS A 32 -11.257 -16.194 2.939 1.00 1.00 O ATOM 448 CB LYS A 32 -9.164 -14.484 4.112 1.00 1.00 C ATOM 449 CG LYS A 32 -8.432 -15.410 5.106 1.00 1.00 C ATOM 450 CD LYS A 32 -6.922 -15.099 5.116 1.00 1.00 C ATOM 451 CE LYS A 32 -6.622 -13.998 6.138 1.00 1.00 C ATOM 452 NZ LYS A 32 -5.169 -13.666 6.107 1.00 1.00 N ATOM 0 H LYS A 32 -10.518 -13.821 1.808 1.00 1.00 H new ATOM 0 HA LYS A 32 -8.109 -15.411 2.493 1.00 1.00 H new ATOM 0 HB2 LYS A 32 -8.688 -13.503 4.094 1.00 1.00 H new ATOM 0 HB3 LYS A 32 -10.195 -14.332 4.431 1.00 1.00 H new ATOM 0 HG2 LYS A 32 -8.844 -15.278 6.107 1.00 1.00 H new ATOM 0 HG3 LYS A 32 -8.594 -16.452 4.829 1.00 1.00 H new ATOM 0 HD2 LYS A 32 -6.358 -15.999 5.362 1.00 1.00 H new ATOM 0 HD3 LYS A 32 -6.601 -14.783 4.124 1.00 1.00 H new ATOM 0 HE2 LYS A 32 -7.213 -13.110 5.914 1.00 1.00 H new ATOM 0 HE3 LYS A 32 -6.908 -14.328 7.137 1.00 1.00 H new ATOM 0 HZ1 LYS A 32 -4.969 -12.918 6.802 1.00 1.00 H new ATOM 0 HZ2 LYS A 32 -4.614 -14.514 6.341 1.00 1.00 H new ATOM 0 HZ3 LYS A 32 -4.909 -13.334 5.156 1.00 1.00 H new ATOM 466 N GLY A 33 -9.497 -17.469 2.369 1.00 1.00 N ATOM 467 CA GLY A 33 -10.285 -18.691 2.304 1.00 1.00 C ATOM 468 C GLY A 33 -11.470 -18.523 1.361 1.00 1.00 C ATOM 469 O GLY A 33 -11.313 -18.524 0.141 1.00 1.00 O ATOM 0 H GLY A 33 -8.507 -17.587 2.155 1.00 1.00 H new ATOM 0 HA2 GLY A 33 -9.658 -19.515 1.964 1.00 1.00 H new ATOM 0 HA3 GLY A 33 -10.642 -18.952 3.300 1.00 1.00 H new ATOM 473 N ASP A 34 -12.659 -18.362 1.941 1.00 1.00 N ATOM 474 CA ASP A 34 -13.883 -18.175 1.165 1.00 1.00 C ATOM 475 C ASP A 34 -14.597 -16.920 1.650 1.00 1.00 C ATOM 476 O ASP A 34 -15.814 -16.788 1.521 1.00 1.00 O ATOM 477 CB ASP A 34 -14.794 -19.394 1.323 1.00 1.00 C ATOM 478 CG ASP A 34 -14.228 -20.574 0.539 1.00 1.00 C ATOM 479 OD1 ASP A 34 -13.378 -20.348 -0.307 1.00 1.00 O ATOM 480 OD2 ASP A 34 -14.652 -21.688 0.798 1.00 1.00 O ATOM 0 H ASP A 34 -12.800 -18.357 2.951 1.00 1.00 H new ATOM 0 HA ASP A 34 -13.632 -18.063 0.110 1.00 1.00 H new ATOM 0 HB2 ASP A 34 -14.884 -19.657 2.377 1.00 1.00 H new ATOM 0 HB3 ASP A 34 -15.797 -19.158 0.967 1.00 1.00 H new ATOM 485 N SER A 35 -13.814 -15.992 2.202 1.00 1.00 N ATOM 486 CA SER A 35 -14.344 -14.724 2.706 1.00 1.00 C ATOM 487 C SER A 35 -13.580 -13.571 2.074 1.00 1.00 C ATOM 488 O SER A 35 -12.384 -13.409 2.311 1.00 1.00 O ATOM 489 CB SER A 35 -14.190 -14.666 4.229 1.00 1.00 C ATOM 490 OG SER A 35 -15.046 -15.633 4.823 1.00 1.00 O ATOM 0 H SER A 35 -12.805 -16.096 2.312 1.00 1.00 H new ATOM 0 HA SER A 35 -15.401 -14.647 2.449 1.00 1.00 H new ATOM 0 HB2 SER A 35 -13.154 -14.859 4.509 1.00 1.00 H new ATOM 0 HB3 SER A 35 -14.439 -13.670 4.594 1.00 1.00 H new ATOM 0 HG SER A 35 -14.949 -15.601 5.798 1.00 1.00 H new ATOM 496 N ARG A 36 -14.262 -12.775 1.258 1.00 1.00 N ATOM 497 CA ARG A 36 -13.609 -11.652 0.594 1.00 1.00 C ATOM 498 C ARG A 36 -13.526 -10.449 1.521 1.00 1.00 C ATOM 499 O ARG A 36 -14.441 -10.180 2.301 1.00 1.00 O ATOM 500 CB ARG A 36 -14.387 -11.272 -0.671 1.00 1.00 C ATOM 501 CG ARG A 36 -14.517 -12.483 -1.607 1.00 1.00 C ATOM 502 CD ARG A 36 -13.186 -12.766 -2.315 1.00 1.00 C ATOM 503 NE ARG A 36 -13.373 -13.804 -3.324 1.00 1.00 N ATOM 504 CZ ARG A 36 -13.271 -15.095 -3.018 1.00 1.00 C ATOM 505 NH1 ARG A 36 -13.018 -15.459 -1.790 1.00 1.00 N ATOM 506 NH2 ARG A 36 -13.435 -15.997 -3.945 1.00 1.00 N ATOM 0 H ARG A 36 -15.253 -12.883 1.042 1.00 1.00 H new ATOM 0 HA ARG A 36 -12.597 -11.954 0.325 1.00 1.00 H new ATOM 0 HB2 ARG A 36 -15.377 -10.907 -0.400 1.00 1.00 H new ATOM 0 HB3 ARG A 36 -13.878 -10.459 -1.188 1.00 1.00 H new ATOM 0 HG2 ARG A 36 -14.824 -13.359 -1.036 1.00 1.00 H new ATOM 0 HG3 ARG A 36 -15.295 -12.295 -2.347 1.00 1.00 H new ATOM 0 HD2 ARG A 36 -12.811 -11.855 -2.782 1.00 1.00 H new ATOM 0 HD3 ARG A 36 -12.437 -13.083 -1.589 1.00 1.00 H new ATOM 0 HE ARG A 36 -13.586 -13.534 -4.284 1.00 1.00 H new ATOM 0 HH11 ARG A 36 -12.898 -14.753 -1.063 1.00 1.00 H new ATOM 0 HH12 ARG A 36 -12.940 -16.449 -1.557 1.00 1.00 H new ATOM 0 HH21 ARG A 36 -13.641 -15.713 -4.903 1.00 1.00 H new ATOM 0 HH22 ARG A 36 -13.357 -16.987 -3.713 1.00 1.00 H new ATOM 520 N GLN A 37 -12.408 -9.731 1.428 1.00 1.00 N ATOM 521 CA GLN A 37 -12.176 -8.549 2.254 1.00 1.00 C ATOM 522 C GLN A 37 -11.730 -7.381 1.382 1.00 1.00 C ATOM 523 O GLN A 37 -11.136 -7.573 0.321 1.00 1.00 O ATOM 524 CB GLN A 37 -11.104 -8.866 3.293 1.00 1.00 C ATOM 525 CG GLN A 37 -11.649 -9.917 4.256 1.00 1.00 C ATOM 526 CD GLN A 37 -10.523 -10.462 5.122 1.00 1.00 C ATOM 527 OE1 GLN A 37 -9.897 -11.548 4.754 1.00 1.00 O flip ATOM 528 NE2 GLN A 37 -10.204 -9.886 6.161 1.00 1.00 N flip ATOM 0 H GLN A 37 -11.646 -9.949 0.786 1.00 1.00 H new ATOM 0 HA GLN A 37 -13.101 -8.272 2.759 1.00 1.00 H new ATOM 0 HB2 GLN A 37 -10.202 -9.233 2.804 1.00 1.00 H new ATOM 0 HB3 GLN A 37 -10.827 -7.963 3.837 1.00 1.00 H new ATOM 0 HG2 GLN A 37 -12.424 -9.479 4.885 1.00 1.00 H new ATOM 0 HG3 GLN A 37 -12.114 -10.729 3.697 1.00 1.00 H new ATOM 0 HE21 GLN A 37 -10.695 -9.038 6.445 1.00 1.00 H new ATOM 0 HE22 GLN A 37 -9.449 -10.256 6.738 1.00 1.00 H new ATOM 537 N SER A 38 -12.017 -6.170 1.850 1.00 1.00 N ATOM 538 CA SER A 38 -11.643 -4.955 1.121 1.00 1.00 C ATOM 539 C SER A 38 -10.609 -4.162 1.909 1.00 1.00 C ATOM 540 O SER A 38 -10.819 -3.822 3.076 1.00 1.00 O ATOM 541 CB SER A 38 -12.877 -4.092 0.851 1.00 1.00 C ATOM 542 OG SER A 38 -13.885 -4.894 0.247 1.00 1.00 O ATOM 0 H SER A 38 -12.506 -6.000 2.729 1.00 1.00 H new ATOM 0 HA SER A 38 -11.207 -5.246 0.166 1.00 1.00 H new ATOM 0 HB2 SER A 38 -13.246 -3.663 1.782 1.00 1.00 H new ATOM 0 HB3 SER A 38 -12.617 -3.259 0.197 1.00 1.00 H new ATOM 0 HG SER A 38 -14.679 -4.346 0.073 1.00 1.00 H new ATOM 548 N ARG A 39 -9.488 -3.877 1.252 1.00 1.00 N ATOM 549 CA ARG A 39 -8.393 -3.123 1.866 1.00 1.00 C ATOM 550 C ARG A 39 -7.934 -1.991 0.954 1.00 1.00 C ATOM 551 O ARG A 39 -8.113 -2.041 -0.264 1.00 1.00 O ATOM 552 CB ARG A 39 -7.219 -4.057 2.165 1.00 1.00 C ATOM 553 CG ARG A 39 -7.538 -4.922 3.387 1.00 1.00 C ATOM 554 CD ARG A 39 -6.367 -5.869 3.663 1.00 1.00 C ATOM 555 NE ARG A 39 -6.617 -6.646 4.873 1.00 1.00 N ATOM 556 CZ ARG A 39 -5.638 -7.298 5.498 1.00 1.00 C ATOM 557 NH1 ARG A 39 -4.412 -7.240 5.048 1.00 1.00 N ATOM 558 NH2 ARG A 39 -5.904 -7.995 6.568 1.00 1.00 N ATOM 0 H ARG A 39 -9.311 -4.158 0.288 1.00 1.00 H new ATOM 0 HA ARG A 39 -8.757 -2.689 2.798 1.00 1.00 H new ATOM 0 HB2 ARG A 39 -7.019 -4.692 1.302 1.00 1.00 H new ATOM 0 HB3 ARG A 39 -6.316 -3.474 2.347 1.00 1.00 H new ATOM 0 HG2 ARG A 39 -7.720 -4.289 4.256 1.00 1.00 H new ATOM 0 HG3 ARG A 39 -8.449 -5.494 3.213 1.00 1.00 H new ATOM 0 HD2 ARG A 39 -6.225 -6.539 2.815 1.00 1.00 H new ATOM 0 HD3 ARG A 39 -5.446 -5.297 3.774 1.00 1.00 H new ATOM 0 HE ARG A 39 -7.564 -6.691 5.249 1.00 1.00 H new ATOM 0 HH11 ARG A 39 -4.200 -6.693 4.213 1.00 1.00 H new ATOM 0 HH12 ARG A 39 -3.667 -7.742 5.531 1.00 1.00 H new ATOM 0 HH21 ARG A 39 -6.859 -8.039 6.923 1.00 1.00 H new ATOM 0 HH22 ARG A 39 -5.157 -8.496 7.049 1.00 1.00 H new ATOM 572 N LEU A 40 -7.352 -0.963 1.571 1.00 1.00 N ATOM 573 CA LEU A 40 -6.866 0.209 0.836 1.00 1.00 C ATOM 574 C LEU A 40 -5.369 0.385 1.061 1.00 1.00 C ATOM 575 O LEU A 40 -4.909 0.462 2.201 1.00 1.00 O ATOM 576 CB LEU A 40 -7.628 1.466 1.309 1.00 1.00 C ATOM 577 CG LEU A 40 -7.133 2.738 0.581 1.00 1.00 C ATOM 578 CD1 LEU A 40 -7.763 2.847 -0.810 1.00 1.00 C ATOM 579 CD2 LEU A 40 -7.531 3.973 1.392 1.00 1.00 C ATOM 0 H LEU A 40 -7.205 -0.916 2.579 1.00 1.00 H new ATOM 0 HA LEU A 40 -7.042 0.064 -0.230 1.00 1.00 H new ATOM 0 HB2 LEU A 40 -8.695 1.335 1.129 1.00 1.00 H new ATOM 0 HB3 LEU A 40 -7.499 1.588 2.384 1.00 1.00 H new ATOM 0 HG LEU A 40 -6.049 2.677 0.480 1.00 1.00 H new ATOM 0 HD11 LEU A 40 -7.401 3.749 -1.304 1.00 1.00 H new ATOM 0 HD12 LEU A 40 -7.490 1.974 -1.403 1.00 1.00 H new ATOM 0 HD13 LEU A 40 -8.848 2.896 -0.715 1.00 1.00 H new ATOM 0 HD21 LEU A 40 -7.183 4.871 0.881 1.00 1.00 H new ATOM 0 HD22 LEU A 40 -8.616 4.009 1.491 1.00 1.00 H new ATOM 0 HD23 LEU A 40 -7.078 3.920 2.382 1.00 1.00 H new ATOM 591 N LEU A 41 -4.607 0.442 -0.034 1.00 1.00 N ATOM 592 CA LEU A 41 -3.157 0.605 0.056 1.00 1.00 C ATOM 593 C LEU A 41 -2.778 2.082 0.031 1.00 1.00 C ATOM 594 O LEU A 41 -3.541 2.922 -0.447 1.00 1.00 O ATOM 595 CB LEU A 41 -2.480 -0.101 -1.126 1.00 1.00 C ATOM 596 CG LEU A 41 -2.504 -1.620 -0.918 1.00 1.00 C ATOM 597 CD1 LEU A 41 -3.939 -2.148 -1.051 1.00 1.00 C ATOM 598 CD2 LEU A 41 -1.615 -2.282 -1.977 1.00 1.00 C ATOM 0 H LEU A 41 -4.968 0.378 -0.986 1.00 1.00 H new ATOM 0 HA LEU A 41 -2.822 0.165 0.996 1.00 1.00 H new ATOM 0 HB2 LEU A 41 -2.992 0.155 -2.054 1.00 1.00 H new ATOM 0 HB3 LEU A 41 -1.451 0.244 -1.224 1.00 1.00 H new ATOM 0 HG LEU A 41 -2.133 -1.855 0.080 1.00 1.00 H new ATOM 0 HD11 LEU A 41 -3.945 -3.228 -0.902 1.00 1.00 H new ATOM 0 HD12 LEU A 41 -4.572 -1.674 -0.301 1.00 1.00 H new ATOM 0 HD13 LEU A 41 -4.321 -1.917 -2.046 1.00 1.00 H new ATOM 0 HD21 LEU A 41 -1.626 -3.363 -1.837 1.00 1.00 H new ATOM 0 HD22 LEU A 41 -1.992 -2.041 -2.971 1.00 1.00 H new ATOM 0 HD23 LEU A 41 -0.594 -1.913 -1.877 1.00 1.00 H new ATOM 610 N GLY A 42 -1.586 2.387 0.538 1.00 1.00 N ATOM 611 CA GLY A 42 -1.104 3.764 0.559 1.00 1.00 C ATOM 612 C GLY A 42 0.417 3.817 0.643 1.00 1.00 C ATOM 613 O GLY A 42 1.037 3.041 1.367 1.00 1.00 O ATOM 0 H GLY A 42 -0.941 1.705 0.937 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -1.439 4.283 -0.339 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -1.536 4.290 1.410 1.00 1.00 H new ATOM 617 N LEU A 43 1.005 4.772 -0.075 1.00 1.00 N ATOM 618 CA LEU A 43 2.457 4.972 -0.064 1.00 1.00 C ATOM 619 C LEU A 43 2.758 6.399 0.367 1.00 1.00 C ATOM 620 O LEU A 43 2.194 7.347 -0.179 1.00 1.00 O ATOM 621 CB LEU A 43 3.035 4.698 -1.453 1.00 1.00 C ATOM 622 CG LEU A 43 4.529 5.038 -1.502 1.00 1.00 C ATOM 623 CD1 LEU A 43 5.282 4.280 -0.402 1.00 1.00 C ATOM 624 CD2 LEU A 43 5.078 4.625 -2.873 1.00 1.00 C ATOM 0 H LEU A 43 0.498 5.423 -0.675 1.00 1.00 H new ATOM 0 HA LEU A 43 2.918 4.279 0.640 1.00 1.00 H new ATOM 0 HB2 LEU A 43 2.888 3.649 -1.712 1.00 1.00 H new ATOM 0 HB3 LEU A 43 2.499 5.288 -2.197 1.00 1.00 H new ATOM 0 HG LEU A 43 4.665 6.108 -1.345 1.00 1.00 H new ATOM 0 HD11 LEU A 43 6.342 4.530 -0.448 1.00 1.00 H new ATOM 0 HD12 LEU A 43 4.884 4.563 0.573 1.00 1.00 H new ATOM 0 HD13 LEU A 43 5.156 3.207 -0.548 1.00 1.00 H new ATOM 0 HD21 LEU A 43 6.141 4.860 -2.925 1.00 1.00 H new ATOM 0 HD22 LEU A 43 4.936 3.554 -3.014 1.00 1.00 H new ATOM 0 HD23 LEU A 43 4.548 5.167 -3.656 1.00 1.00 H new ATOM 636 N VAL A 44 3.629 6.550 1.365 1.00 1.00 N ATOM 637 CA VAL A 44 3.964 7.884 1.876 1.00 1.00 C ATOM 638 C VAL A 44 5.467 8.087 1.969 1.00 1.00 C ATOM 639 O VAL A 44 6.199 7.230 2.467 1.00 1.00 O ATOM 640 CB VAL A 44 3.347 8.064 3.264 1.00 1.00 C ATOM 641 CG1 VAL A 44 3.567 9.493 3.777 1.00 1.00 C ATOM 642 CG2 VAL A 44 1.852 7.773 3.192 1.00 1.00 C ATOM 0 H VAL A 44 4.110 5.780 1.831 1.00 1.00 H new ATOM 0 HA VAL A 44 3.563 8.621 1.181 1.00 1.00 H new ATOM 0 HB VAL A 44 3.829 7.371 3.954 1.00 1.00 H new ATOM 0 HG11 VAL A 44 3.120 9.598 4.766 1.00 1.00 H new ATOM 0 HG12 VAL A 44 4.636 9.697 3.839 1.00 1.00 H new ATOM 0 HG13 VAL A 44 3.102 10.201 3.092 1.00 1.00 H new ATOM 0 HG21 VAL A 44 1.409 7.900 4.180 1.00 1.00 H new ATOM 0 HG22 VAL A 44 1.381 8.462 2.491 1.00 1.00 H new ATOM 0 HG23 VAL A 44 1.697 6.749 2.854 1.00 1.00 H new ATOM 652 N ARG A 45 5.908 9.256 1.513 1.00 1.00 N ATOM 653 CA ARG A 45 7.318 9.629 1.564 1.00 1.00 C ATOM 654 C ARG A 45 7.489 10.767 2.563 1.00 1.00 C ATOM 655 O ARG A 45 6.814 11.793 2.478 1.00 1.00 O ATOM 656 CB ARG A 45 7.794 10.081 0.184 1.00 1.00 C ATOM 657 CG ARG A 45 9.295 10.374 0.229 1.00 1.00 C ATOM 658 CD ARG A 45 9.758 10.843 -1.148 1.00 1.00 C ATOM 659 NE ARG A 45 9.146 12.126 -1.470 1.00 1.00 N ATOM 660 CZ ARG A 45 9.326 12.696 -2.656 1.00 1.00 C ATOM 661 NH1 ARG A 45 10.050 12.100 -3.563 1.00 1.00 N ATOM 662 NH2 ARG A 45 8.775 13.850 -2.917 1.00 1.00 N ATOM 0 H ARG A 45 5.303 9.966 1.101 1.00 1.00 H new ATOM 0 HA ARG A 45 7.911 8.768 1.873 1.00 1.00 H new ATOM 0 HB2 ARG A 45 7.586 9.307 -0.555 1.00 1.00 H new ATOM 0 HB3 ARG A 45 7.248 10.972 -0.126 1.00 1.00 H new ATOM 0 HG2 ARG A 45 9.506 11.139 0.976 1.00 1.00 H new ATOM 0 HG3 ARG A 45 9.843 9.480 0.525 1.00 1.00 H new ATOM 0 HD2 ARG A 45 10.844 10.935 -1.164 1.00 1.00 H new ATOM 0 HD3 ARG A 45 9.490 10.103 -1.902 1.00 1.00 H new ATOM 0 HE ARG A 45 8.569 12.595 -0.772 1.00 1.00 H new ATOM 0 HH11 ARG A 45 10.478 11.196 -3.361 1.00 1.00 H new ATOM 0 HH12 ARG A 45 10.188 12.538 -4.474 1.00 1.00 H new ATOM 0 HH21 ARG A 45 8.206 14.315 -2.210 1.00 1.00 H new ATOM 0 HH22 ARG A 45 8.914 14.287 -3.828 1.00 1.00 H new ATOM 676 N TYR A 46 8.391 10.567 3.512 1.00 1.00 N ATOM 677 CA TYR A 46 8.663 11.558 4.551 1.00 1.00 C ATOM 678 C TYR A 46 10.076 12.117 4.378 1.00 1.00 C ATOM 679 O TYR A 46 11.038 11.359 4.254 1.00 1.00 O ATOM 680 CB TYR A 46 8.502 10.884 5.911 1.00 1.00 C ATOM 681 CG TYR A 46 8.921 11.824 7.007 1.00 1.00 C ATOM 682 CD1 TYR A 46 8.153 12.960 7.281 1.00 1.00 C ATOM 683 CD2 TYR A 46 10.070 11.557 7.759 1.00 1.00 C ATOM 684 CE1 TYR A 46 8.536 13.830 8.306 1.00 1.00 C ATOM 685 CE2 TYR A 46 10.453 12.425 8.782 1.00 1.00 C ATOM 686 CZ TYR A 46 9.686 13.564 9.058 1.00 1.00 C ATOM 687 OH TYR A 46 10.068 14.423 10.068 1.00 1.00 O ATOM 0 H TYR A 46 8.954 9.720 3.587 1.00 1.00 H new ATOM 0 HA TYR A 46 7.964 12.391 4.477 1.00 1.00 H new ATOM 0 HB2 TYR A 46 7.464 10.584 6.056 1.00 1.00 H new ATOM 0 HB3 TYR A 46 9.105 9.977 5.949 1.00 1.00 H new ATOM 0 HD1 TYR A 46 7.265 13.165 6.701 1.00 1.00 H new ATOM 0 HD2 TYR A 46 10.661 10.678 7.548 1.00 1.00 H new ATOM 0 HE1 TYR A 46 7.944 14.708 8.518 1.00 1.00 H new ATOM 0 HE2 TYR A 46 11.341 12.219 9.361 1.00 1.00 H new ATOM 0 HH TYR A 46 10.887 14.089 10.489 1.00 1.00 H new ATOM 697 N ARG A 47 10.192 13.447 4.355 1.00 1.00 N ATOM 698 CA ARG A 47 11.497 14.095 4.175 1.00 1.00 C ATOM 699 C ARG A 47 12.203 14.334 5.501 1.00 1.00 C ATOM 700 O ARG A 47 11.591 14.779 6.473 1.00 1.00 O ATOM 701 CB ARG A 47 11.331 15.435 3.457 1.00 1.00 C ATOM 702 CG ARG A 47 10.949 15.201 1.997 1.00 1.00 C ATOM 703 CD ARG A 47 10.911 16.547 1.276 1.00 1.00 C ATOM 704 NE ARG A 47 9.797 17.358 1.759 1.00 1.00 N ATOM 705 CZ ARG A 47 8.565 17.195 1.281 1.00 1.00 C ATOM 706 NH1 ARG A 47 8.335 16.310 0.350 1.00 1.00 N ATOM 707 NH2 ARG A 47 7.587 17.928 1.738 1.00 1.00 N ATOM 0 H ARG A 47 9.408 14.092 4.457 1.00 1.00 H new ATOM 0 HA ARG A 47 12.106 13.419 3.575 1.00 1.00 H new ATOM 0 HB2 ARG A 47 10.563 16.029 3.952 1.00 1.00 H new ATOM 0 HB3 ARG A 47 12.259 16.004 3.512 1.00 1.00 H new ATOM 0 HG2 ARG A 47 11.670 14.538 1.520 1.00 1.00 H new ATOM 0 HG3 ARG A 47 9.977 14.712 1.935 1.00 1.00 H new ATOM 0 HD2 ARG A 47 11.850 17.077 1.435 1.00 1.00 H new ATOM 0 HD3 ARG A 47 10.813 16.388 0.202 1.00 1.00 H new ATOM 0 HE ARG A 47 9.966 18.063 2.476 1.00 1.00 H new ATOM 0 HH11 ARG A 47 9.100 15.741 -0.013 1.00 1.00 H new ATOM 0 HH12 ARG A 47 7.390 16.187 -0.015 1.00 1.00 H new ATOM 0 HH21 ARG A 47 7.767 18.625 2.461 1.00 1.00 H new ATOM 0 HH22 ARG A 47 6.643 17.804 1.373 1.00 1.00 H new ATOM 721 N LEU A 48 13.506 14.051 5.523 1.00 1.00 N ATOM 722 CA LEU A 48 14.312 14.248 6.727 1.00 1.00 C ATOM 723 C LEU A 48 15.077 15.568 6.645 1.00 1.00 C ATOM 724 O LEU A 48 15.730 15.872 5.645 1.00 1.00 O ATOM 725 CB LEU A 48 15.305 13.081 6.907 1.00 1.00 C ATOM 726 CG LEU A 48 14.626 11.870 7.580 1.00 1.00 C ATOM 727 CD1 LEU A 48 14.417 12.118 9.082 1.00 1.00 C ATOM 728 CD2 LEU A 48 13.284 11.582 6.901 1.00 1.00 C ATOM 0 H LEU A 48 14.024 13.686 4.724 1.00 1.00 H new ATOM 0 HA LEU A 48 13.642 14.279 7.586 1.00 1.00 H new ATOM 0 HB2 LEU A 48 15.703 12.785 5.936 1.00 1.00 H new ATOM 0 HB3 LEU A 48 16.151 13.409 7.511 1.00 1.00 H new ATOM 0 HG LEU A 48 15.279 11.005 7.468 1.00 1.00 H new ATOM 0 HD11 LEU A 48 13.937 11.249 9.531 1.00 1.00 H new ATOM 0 HD12 LEU A 48 15.382 12.287 9.561 1.00 1.00 H new ATOM 0 HD13 LEU A 48 13.784 12.994 9.221 1.00 1.00 H new ATOM 0 HD21 LEU A 48 12.810 10.726 7.381 1.00 1.00 H new ATOM 0 HD22 LEU A 48 12.636 12.454 6.992 1.00 1.00 H new ATOM 0 HD23 LEU A 48 13.450 11.361 5.847 1.00 1.00 H new ATOM 740 N GLU A 49 14.987 16.334 7.719 1.00 1.00 N ATOM 741 CA GLU A 49 15.668 17.615 7.800 1.00 1.00 C ATOM 742 C GLU A 49 17.142 17.451 7.441 1.00 1.00 C ATOM 743 O GLU A 49 17.854 18.434 7.242 1.00 1.00 O ATOM 744 CB GLU A 49 15.538 18.186 9.214 1.00 1.00 C ATOM 745 CG GLU A 49 14.076 18.544 9.483 1.00 1.00 C ATOM 746 CD GLU A 49 13.916 19.057 10.909 1.00 1.00 C ATOM 747 OE1 GLU A 49 14.920 19.161 11.595 1.00 1.00 O ATOM 748 OE2 GLU A 49 12.793 19.340 11.293 1.00 1.00 O ATOM 0 H GLU A 49 14.447 16.090 8.549 1.00 1.00 H new ATOM 0 HA GLU A 49 15.207 18.304 7.092 1.00 1.00 H new ATOM 0 HB2 GLU A 49 15.886 17.457 9.946 1.00 1.00 H new ATOM 0 HB3 GLU A 49 16.166 19.070 9.320 1.00 1.00 H new ATOM 0 HG2 GLU A 49 13.743 19.304 8.776 1.00 1.00 H new ATOM 0 HG3 GLU A 49 13.445 17.668 9.330 1.00 1.00 H new ATOM 755 N ASN A 50 17.595 16.200 7.371 1.00 1.00 N ATOM 756 CA ASN A 50 18.988 15.913 7.042 1.00 1.00 C ATOM 757 C ASN A 50 19.183 15.861 5.530 1.00 1.00 C ATOM 758 O ASN A 50 20.295 15.646 5.053 1.00 1.00 O ATOM 759 CB ASN A 50 19.399 14.569 7.650 1.00 1.00 C ATOM 760 CG ASN A 50 19.387 14.663 9.171 1.00 1.00 C ATOM 761 OD1 ASN A 50 19.869 15.646 9.736 1.00 1.00 O ATOM 762 ND2 ASN A 50 18.859 13.699 9.873 1.00 1.00 N ATOM 0 H ASN A 50 17.020 15.374 7.537 1.00 1.00 H new ATOM 0 HA ASN A 50 19.609 16.709 7.453 1.00 1.00 H new ATOM 0 HB2 ASN A 50 18.716 13.786 7.320 1.00 1.00 H new ATOM 0 HB3 ASN A 50 20.394 14.291 7.302 1.00 1.00 H new ATOM 0 HD21 ASN A 50 18.845 13.758 10.891 1.00 1.00 H new ATOM 0 HD22 ASN A 50 18.460 12.886 9.404 1.00 1.00 H new ATOM 769 N ASP A 51 18.083 16.035 4.791 1.00 1.00 N ATOM 770 CA ASP A 51 18.104 15.991 3.328 1.00 1.00 C ATOM 771 C ASP A 51 17.870 14.555 2.875 1.00 1.00 C ATOM 772 O ASP A 51 17.596 14.289 1.704 1.00 1.00 O ATOM 773 CB ASP A 51 19.446 16.514 2.773 1.00 1.00 C ATOM 774 CG ASP A 51 19.262 17.110 1.379 1.00 1.00 C ATOM 775 OD1 ASP A 51 18.189 16.952 0.823 1.00 1.00 O ATOM 776 OD2 ASP A 51 20.200 17.718 0.890 1.00 1.00 O ATOM 0 H ASP A 51 17.160 16.209 5.188 1.00 1.00 H new ATOM 0 HA ASP A 51 17.315 16.636 2.942 1.00 1.00 H new ATOM 0 HB2 ASP A 51 19.853 17.269 3.445 1.00 1.00 H new ATOM 0 HB3 ASP A 51 20.170 15.700 2.733 1.00 1.00 H new ATOM 781 N ALA A 52 17.982 13.638 3.829 1.00 1.00 N ATOM 782 CA ALA A 52 17.790 12.222 3.561 1.00 1.00 C ATOM 783 C ALA A 52 16.328 11.926 3.239 1.00 1.00 C ATOM 784 O ALA A 52 15.427 12.674 3.619 1.00 1.00 O ATOM 785 CB ALA A 52 18.226 11.404 4.780 1.00 1.00 C ATOM 0 H ALA A 52 18.206 13.854 4.800 1.00 1.00 H new ATOM 0 HA ALA A 52 18.397 11.946 2.699 1.00 1.00 H new ATOM 0 HB1 ALA A 52 18.081 10.343 4.577 1.00 1.00 H new ATOM 0 HB2 ALA A 52 19.279 11.593 4.987 1.00 1.00 H new ATOM 0 HB3 ALA A 52 17.628 11.693 5.645 1.00 1.00 H new ATOM 791 N GLN A 53 16.109 10.829 2.525 1.00 1.00 N ATOM 792 CA GLN A 53 14.760 10.412 2.129 1.00 1.00 C ATOM 793 C GLN A 53 14.491 8.974 2.560 1.00 1.00 C ATOM 794 O GLN A 53 15.413 8.164 2.670 1.00 1.00 O ATOM 795 CB GLN A 53 14.620 10.514 0.607 1.00 1.00 C ATOM 796 CG GLN A 53 14.870 11.956 0.164 1.00 1.00 C ATOM 797 CD GLN A 53 13.810 12.872 0.759 1.00 1.00 C ATOM 798 OE1 GLN A 53 12.615 12.633 0.589 1.00 1.00 O ATOM 799 NE2 GLN A 53 14.178 13.909 1.461 1.00 1.00 N ATOM 0 H GLN A 53 16.850 10.205 2.204 1.00 1.00 H new ATOM 0 HA GLN A 53 14.038 11.067 2.617 1.00 1.00 H new ATOM 0 HB2 GLN A 53 15.330 9.845 0.121 1.00 1.00 H new ATOM 0 HB3 GLN A 53 13.623 10.197 0.301 1.00 1.00 H new ATOM 0 HG2 GLN A 53 15.861 12.277 0.484 1.00 1.00 H new ATOM 0 HG3 GLN A 53 14.849 12.020 -0.924 1.00 1.00 H new ATOM 0 HE21 GLN A 53 15.169 14.105 1.600 1.00 1.00 H new ATOM 0 HE22 GLN A 53 13.474 14.524 1.870 1.00 1.00 H new ATOM 808 N GLU A 54 13.217 8.656 2.784 1.00 1.00 N ATOM 809 CA GLU A 54 12.827 7.305 3.183 1.00 1.00 C ATOM 810 C GLU A 54 11.404 7.014 2.709 1.00 1.00 C ATOM 811 O GLU A 54 10.600 7.929 2.526 1.00 1.00 O ATOM 812 CB GLU A 54 12.920 7.151 4.708 1.00 1.00 C ATOM 813 CG GLU A 54 12.883 5.664 5.089 1.00 1.00 C ATOM 814 CD GLU A 54 14.150 4.968 4.606 1.00 1.00 C ATOM 815 OE1 GLU A 54 15.140 5.654 4.405 1.00 1.00 O ATOM 816 OE2 GLU A 54 14.114 3.760 4.442 1.00 1.00 O ATOM 0 H GLU A 54 12.441 9.312 2.697 1.00 1.00 H new ATOM 0 HA GLU A 54 13.508 6.591 2.721 1.00 1.00 H new ATOM 0 HB2 GLU A 54 13.841 7.605 5.072 1.00 1.00 H new ATOM 0 HB3 GLU A 54 12.094 7.678 5.186 1.00 1.00 H new ATOM 0 HG2 GLU A 54 12.791 5.560 6.170 1.00 1.00 H new ATOM 0 HG3 GLU A 54 12.007 5.189 4.647 1.00 1.00 H new ATOM 823 N HIS A 55 11.106 5.731 2.502 1.00 1.00 N ATOM 824 CA HIS A 55 9.782 5.309 2.033 1.00 1.00 C ATOM 825 C HIS A 55 9.235 4.170 2.892 1.00 1.00 C ATOM 826 O HIS A 55 9.995 3.410 3.490 1.00 1.00 O ATOM 827 CB HIS A 55 9.881 4.818 0.587 1.00 1.00 C ATOM 828 CG HIS A 55 10.221 5.965 -0.325 1.00 1.00 C ATOM 829 ND1 HIS A 55 11.517 6.433 -0.475 1.00 1.00 N ATOM 830 CD2 HIS A 55 9.446 6.735 -1.154 1.00 1.00 C ATOM 831 CE1 HIS A 55 11.483 7.440 -1.367 1.00 1.00 C ATOM 832 NE2 HIS A 55 10.244 7.665 -1.813 1.00 1.00 N ATOM 0 H HIS A 55 11.762 4.965 2.651 1.00 1.00 H new ATOM 0 HA HIS A 55 9.112 6.166 2.102 1.00 1.00 H new ATOM 0 HB2 HIS A 55 10.643 4.043 0.509 1.00 1.00 H new ATOM 0 HB3 HIS A 55 8.936 4.368 0.282 1.00 1.00 H new ATOM 0 HD1 HIS A 55 12.345 6.079 0.003 1.00 1.00 H new ATOM 0 HD2 HIS A 55 8.378 6.635 -1.277 1.00 1.00 H new ATOM 0 HE1 HIS A 55 12.352 7.998 -1.684 1.00 1.00 H new ATOM 840 N ALA A 56 7.910 4.059 2.935 1.00 1.00 N ATOM 841 CA ALA A 56 7.247 3.012 3.700 1.00 1.00 C ATOM 842 C ALA A 56 5.887 2.709 3.067 1.00 1.00 C ATOM 843 O ALA A 56 5.234 3.605 2.535 1.00 1.00 O ATOM 844 CB ALA A 56 7.065 3.461 5.153 1.00 1.00 C ATOM 0 H ALA A 56 7.273 4.687 2.445 1.00 1.00 H new ATOM 0 HA ALA A 56 7.859 2.110 3.689 1.00 1.00 H new ATOM 0 HB1 ALA A 56 6.568 2.672 5.718 1.00 1.00 H new ATOM 0 HB2 ALA A 56 8.040 3.666 5.595 1.00 1.00 H new ATOM 0 HB3 ALA A 56 6.457 4.365 5.181 1.00 1.00 H new ATOM 850 N LEU A 57 5.470 1.443 3.111 1.00 1.00 N ATOM 851 CA LEU A 57 4.192 1.040 2.518 1.00 1.00 C ATOM 852 C LEU A 57 3.102 1.050 3.578 1.00 1.00 C ATOM 853 O LEU A 57 2.948 0.102 4.348 1.00 1.00 O ATOM 854 CB LEU A 57 4.327 -0.359 1.886 1.00 1.00 C ATOM 855 CG LEU A 57 2.954 -0.895 1.453 1.00 1.00 C ATOM 856 CD1 LEU A 57 2.307 0.075 0.461 1.00 1.00 C ATOM 857 CD2 LEU A 57 3.141 -2.255 0.778 1.00 1.00 C ATOM 0 H LEU A 57 5.993 0.684 3.547 1.00 1.00 H new ATOM 0 HA LEU A 57 3.917 1.748 1.736 1.00 1.00 H new ATOM 0 HB2 LEU A 57 4.992 -0.311 1.024 1.00 1.00 H new ATOM 0 HB3 LEU A 57 4.781 -1.044 2.602 1.00 1.00 H new ATOM 0 HG LEU A 57 2.311 -0.996 2.328 1.00 1.00 H new ATOM 0 HD11 LEU A 57 1.334 -0.310 0.157 1.00 1.00 H new ATOM 0 HD12 LEU A 57 2.180 1.049 0.934 1.00 1.00 H new ATOM 0 HD13 LEU A 57 2.946 0.178 -0.416 1.00 1.00 H new ATOM 0 HD21 LEU A 57 2.171 -2.643 0.467 1.00 1.00 H new ATOM 0 HD22 LEU A 57 3.784 -2.143 -0.095 1.00 1.00 H new ATOM 0 HD23 LEU A 57 3.602 -2.950 1.480 1.00 1.00 H new ATOM 869 N PHE A 58 2.360 2.147 3.618 1.00 1.00 N ATOM 870 CA PHE A 58 1.297 2.311 4.591 1.00 1.00 C ATOM 871 C PHE A 58 0.059 1.518 4.198 1.00 1.00 C ATOM 872 O PHE A 58 -0.300 1.431 3.021 1.00 1.00 O ATOM 873 CB PHE A 58 0.949 3.805 4.719 1.00 1.00 C ATOM 874 CG PHE A 58 1.882 4.491 5.700 1.00 1.00 C ATOM 875 CD1 PHE A 58 3.209 4.052 5.873 1.00 1.00 C ATOM 876 CD2 PHE A 58 1.409 5.572 6.450 1.00 1.00 C ATOM 877 CE1 PHE A 58 4.043 4.694 6.792 1.00 1.00 C ATOM 878 CE2 PHE A 58 2.247 6.214 7.367 1.00 1.00 C ATOM 879 CZ PHE A 58 3.564 5.776 7.538 1.00 1.00 C ATOM 0 H PHE A 58 2.477 2.938 2.984 1.00 1.00 H new ATOM 0 HA PHE A 58 1.645 1.929 5.551 1.00 1.00 H new ATOM 0 HB2 PHE A 58 1.022 4.285 3.743 1.00 1.00 H new ATOM 0 HB3 PHE A 58 -0.083 3.916 5.052 1.00 1.00 H new ATOM 0 HD1 PHE A 58 3.582 3.219 5.295 1.00 1.00 H new ATOM 0 HD2 PHE A 58 0.392 5.913 6.321 1.00 1.00 H new ATOM 0 HE1 PHE A 58 5.059 4.354 6.927 1.00 1.00 H new ATOM 0 HE2 PHE A 58 1.877 7.049 7.944 1.00 1.00 H new ATOM 0 HZ PHE A 58 4.211 6.273 8.246 1.00 1.00 H new ATOM 889 N LEU A 59 -0.612 0.979 5.210 1.00 1.00 N ATOM 890 CA LEU A 59 -1.845 0.225 5.008 1.00 1.00 C ATOM 891 C LEU A 59 -2.993 0.976 5.664 1.00 1.00 C ATOM 892 O LEU A 59 -2.918 1.373 6.828 1.00 1.00 O ATOM 893 CB LEU A 59 -1.725 -1.188 5.603 1.00 1.00 C ATOM 894 CG LEU A 59 -1.082 -2.156 4.587 1.00 1.00 C ATOM 895 CD1 LEU A 59 -2.054 -2.480 3.430 1.00 1.00 C ATOM 896 CD2 LEU A 59 0.209 -1.543 4.026 1.00 1.00 C ATOM 0 H LEU A 59 -0.321 1.051 6.185 1.00 1.00 H new ATOM 0 HA LEU A 59 -2.033 0.123 3.939 1.00 1.00 H new ATOM 0 HB2 LEU A 59 -1.124 -1.155 6.512 1.00 1.00 H new ATOM 0 HB3 LEU A 59 -2.712 -1.554 5.886 1.00 1.00 H new ATOM 0 HG LEU A 59 -0.849 -3.086 5.106 1.00 1.00 H new ATOM 0 HD11 LEU A 59 -1.572 -3.164 2.731 1.00 1.00 H new ATOM 0 HD12 LEU A 59 -2.954 -2.945 3.831 1.00 1.00 H new ATOM 0 HD13 LEU A 59 -2.322 -1.560 2.911 1.00 1.00 H new ATOM 0 HD21 LEU A 59 0.657 -2.232 3.310 1.00 1.00 H new ATOM 0 HD22 LEU A 59 -0.022 -0.601 3.528 1.00 1.00 H new ATOM 0 HD23 LEU A 59 0.909 -1.361 4.841 1.00 1.00 H new ATOM 908 N TYR A 60 -4.043 1.174 4.892 1.00 1.00 N ATOM 909 CA TYR A 60 -5.227 1.886 5.354 1.00 1.00 C ATOM 910 C TYR A 60 -6.443 0.973 5.261 1.00 1.00 C ATOM 911 O TYR A 60 -6.707 0.405 4.205 1.00 1.00 O ATOM 912 CB TYR A 60 -5.456 3.094 4.441 1.00 1.00 C ATOM 913 CG TYR A 60 -4.407 4.164 4.666 1.00 1.00 C ATOM 914 CD1 TYR A 60 -3.207 4.144 3.940 1.00 1.00 C ATOM 915 CD2 TYR A 60 -4.647 5.193 5.585 1.00 1.00 C ATOM 916 CE1 TYR A 60 -2.252 5.152 4.138 1.00 1.00 C ATOM 917 CE2 TYR A 60 -3.689 6.197 5.785 1.00 1.00 C ATOM 918 CZ TYR A 60 -2.492 6.176 5.061 1.00 1.00 C ATOM 919 OH TYR A 60 -1.550 7.168 5.253 1.00 1.00 O ATOM 0 H TYR A 60 -4.104 0.848 3.927 1.00 1.00 H new ATOM 0 HA TYR A 60 -5.084 2.203 6.387 1.00 1.00 H new ATOM 0 HB2 TYR A 60 -5.434 2.774 3.399 1.00 1.00 H new ATOM 0 HB3 TYR A 60 -6.447 3.509 4.626 1.00 1.00 H new ATOM 0 HD1 TYR A 60 -3.019 3.353 3.229 1.00 1.00 H new ATOM 0 HD2 TYR A 60 -5.573 5.213 6.141 1.00 1.00 H new ATOM 0 HE1 TYR A 60 -1.329 5.138 3.577 1.00 1.00 H new ATOM 0 HE2 TYR A 60 -3.875 6.987 6.498 1.00 1.00 H new ATOM 0 HH TYR A 60 -1.874 7.801 5.927 1.00 1.00 H new ATOM 929 N THR A 61 -7.209 0.847 6.343 1.00 1.00 N ATOM 930 CA THR A 61 -8.410 0.015 6.294 1.00 1.00 C ATOM 931 C THR A 61 -9.549 0.855 5.756 1.00 1.00 C ATOM 932 O THR A 61 -9.480 2.076 5.769 1.00 1.00 O ATOM 933 CB THR A 61 -8.793 -0.533 7.671 1.00 1.00 C ATOM 934 OG1 THR A 61 -9.985 -1.294 7.547 1.00 1.00 O ATOM 935 CG2 THR A 61 -9.027 0.618 8.647 1.00 1.00 C ATOM 0 H THR A 61 -7.028 1.296 7.241 1.00 1.00 H new ATOM 0 HA THR A 61 -8.208 -0.840 5.649 1.00 1.00 H new ATOM 0 HB THR A 61 -7.985 -1.159 8.049 1.00 1.00 H new ATOM 0 HG1 THR A 61 -10.238 -1.651 8.424 1.00 1.00 H new ATOM 0 HG21 THR A 61 -9.299 0.217 9.624 1.00 1.00 H new ATOM 0 HG22 THR A 61 -8.116 1.209 8.738 1.00 1.00 H new ATOM 0 HG23 THR A 61 -9.834 1.251 8.277 1.00 1.00 H new ATOM 943 N HIS A 62 -10.602 0.215 5.304 1.00 1.00 N ATOM 944 CA HIS A 62 -11.737 0.953 4.785 1.00 1.00 C ATOM 945 C HIS A 62 -12.942 0.035 4.645 1.00 1.00 C ATOM 946 O HIS A 62 -12.799 -1.183 4.538 1.00 1.00 O ATOM 947 CB HIS A 62 -11.363 1.609 3.443 1.00 1.00 C ATOM 948 CG HIS A 62 -11.456 0.612 2.322 1.00 1.00 C ATOM 949 ND1 HIS A 62 -12.572 0.517 1.507 1.00 1.00 N ATOM 950 CD2 HIS A 62 -10.584 -0.344 1.875 1.00 1.00 C ATOM 951 CE1 HIS A 62 -12.344 -0.468 0.621 1.00 1.00 C ATOM 952 NE2 HIS A 62 -11.144 -1.028 0.801 1.00 1.00 N ATOM 0 H HIS A 62 -10.700 -0.800 5.283 1.00 1.00 H new ATOM 0 HA HIS A 62 -12.007 1.745 5.484 1.00 1.00 H new ATOM 0 HB2 HIS A 62 -12.028 2.450 3.245 1.00 1.00 H new ATOM 0 HB3 HIS A 62 -10.351 2.009 3.498 1.00 1.00 H new ATOM 0 HD1 HIS A 62 -13.414 1.090 1.568 1.00 1.00 H new ATOM 0 HD2 HIS A 62 -9.608 -0.538 2.294 1.00 1.00 H new ATOM 0 HE1 HIS A 62 -13.045 -0.770 -0.143 1.00 1.00 H new ATOM 960 N ARG A 63 -14.126 0.619 4.654 1.00 1.00 N ATOM 961 CA ARG A 63 -15.342 -0.166 4.533 1.00 1.00 C ATOM 962 C ARG A 63 -15.472 -0.718 3.128 1.00 1.00 C ATOM 963 O ARG A 63 -14.602 -0.517 2.281 1.00 1.00 O ATOM 964 CB ARG A 63 -16.573 0.680 4.860 1.00 1.00 C ATOM 965 CG ARG A 63 -16.527 1.091 6.332 1.00 1.00 C ATOM 966 CD ARG A 63 -17.732 1.972 6.666 1.00 1.00 C ATOM 967 NE ARG A 63 -18.971 1.214 6.509 1.00 1.00 N ATOM 968 CZ ARG A 63 -19.466 0.475 7.501 1.00 1.00 C ATOM 969 NH1 ARG A 63 -18.836 0.408 8.643 1.00 1.00 N ATOM 970 NH2 ARG A 63 -20.580 -0.183 7.332 1.00 1.00 N ATOM 0 H ARG A 63 -14.272 1.625 4.743 1.00 1.00 H new ATOM 0 HA ARG A 63 -15.281 -0.990 5.244 1.00 1.00 H new ATOM 0 HB2 ARG A 63 -16.600 1.565 4.224 1.00 1.00 H new ATOM 0 HB3 ARG A 63 -17.482 0.114 4.657 1.00 1.00 H new ATOM 0 HG2 ARG A 63 -16.527 0.204 6.966 1.00 1.00 H new ATOM 0 HG3 ARG A 63 -15.603 1.631 6.539 1.00 1.00 H new ATOM 0 HD2 ARG A 63 -17.650 2.341 7.689 1.00 1.00 H new ATOM 0 HD3 ARG A 63 -17.746 2.845 6.013 1.00 1.00 H new ATOM 0 HE ARG A 63 -19.469 1.251 5.619 1.00 1.00 H new ATOM 0 HH11 ARG A 63 -17.965 0.922 8.776 1.00 1.00 H new ATOM 0 HH12 ARG A 63 -19.215 -0.158 9.402 1.00 1.00 H new ATOM 0 HH21 ARG A 63 -21.072 -0.132 6.440 1.00 1.00 H new ATOM 0 HH22 ARG A 63 -20.959 -0.749 8.092 1.00 1.00 H new ATOM 984 N ARG A 64 -16.564 -1.420 2.887 1.00 1.00 N ATOM 985 CA ARG A 64 -16.806 -2.002 1.582 1.00 1.00 C ATOM 986 C ARG A 64 -16.983 -0.911 0.536 1.00 1.00 C ATOM 987 O ARG A 64 -16.737 -1.135 -0.648 1.00 1.00 O ATOM 988 CB ARG A 64 -18.059 -2.872 1.631 1.00 1.00 C ATOM 989 CG ARG A 64 -17.807 -4.066 2.548 1.00 1.00 C ATOM 990 CD ARG A 64 -19.083 -4.908 2.650 1.00 1.00 C ATOM 991 NE ARG A 64 -18.868 -6.058 3.522 1.00 1.00 N ATOM 992 CZ ARG A 64 -19.861 -6.896 3.811 1.00 1.00 C ATOM 993 NH1 ARG A 64 -21.053 -6.695 3.314 1.00 1.00 N ATOM 994 NH2 ARG A 64 -19.646 -7.919 4.591 1.00 1.00 N ATOM 0 H ARG A 64 -17.294 -1.600 3.576 1.00 1.00 H new ATOM 0 HA ARG A 64 -15.947 -2.614 1.308 1.00 1.00 H new ATOM 0 HB2 ARG A 64 -18.906 -2.291 1.996 1.00 1.00 H new ATOM 0 HB3 ARG A 64 -18.317 -3.216 0.629 1.00 1.00 H new ATOM 0 HG2 ARG A 64 -16.989 -4.672 2.158 1.00 1.00 H new ATOM 0 HG3 ARG A 64 -17.505 -3.722 3.537 1.00 1.00 H new ATOM 0 HD2 ARG A 64 -19.899 -4.298 3.038 1.00 1.00 H new ATOM 0 HD3 ARG A 64 -19.382 -5.247 1.658 1.00 1.00 H new ATOM 0 HE ARG A 64 -17.942 -6.222 3.916 1.00 1.00 H new ATOM 0 HH11 ARG A 64 -21.223 -5.895 2.704 1.00 1.00 H new ATOM 0 HH12 ARG A 64 -21.813 -7.338 3.536 1.00 1.00 H new ATOM 0 HH21 ARG A 64 -18.716 -8.077 4.980 1.00 1.00 H new ATOM 0 HH22 ARG A 64 -20.407 -8.561 4.812 1.00 1.00 H new ATOM 1008 N MET A 65 -17.426 0.275 0.968 1.00 1.00 N ATOM 1009 CA MET A 65 -17.644 1.389 0.044 1.00 1.00 C ATOM 1010 C MET A 65 -17.196 2.702 0.690 1.00 1.00 C ATOM 1011 O MET A 65 -17.731 3.768 0.389 1.00 1.00 O ATOM 1012 CB MET A 65 -19.140 1.470 -0.306 1.00 1.00 C ATOM 1013 CG MET A 65 -19.981 1.126 0.930 1.00 1.00 C ATOM 1014 SD MET A 65 -21.737 1.352 0.549 1.00 1.00 S ATOM 1015 CE MET A 65 -22.392 0.853 2.164 1.00 1.00 C ATOM 0 H MET A 65 -17.638 0.485 1.943 1.00 1.00 H new ATOM 0 HA MET A 65 -17.062 1.225 -0.863 1.00 1.00 H new ATOM 0 HB2 MET A 65 -19.387 2.472 -0.658 1.00 1.00 H new ATOM 0 HB3 MET A 65 -19.371 0.781 -1.118 1.00 1.00 H new ATOM 0 HG2 MET A 65 -19.794 0.096 1.235 1.00 1.00 H new ATOM 0 HG3 MET A 65 -19.695 1.763 1.767 1.00 1.00 H new ATOM 0 HE1 MET A 65 -23.480 0.919 2.152 1.00 1.00 H new ATOM 0 HE2 MET A 65 -22.093 -0.173 2.377 1.00 1.00 H new ATOM 0 HE3 MET A 65 -21.997 1.513 2.936 1.00 1.00 H new ATOM 1025 N ALA A 66 -16.213 2.614 1.583 1.00 1.00 N ATOM 1026 CA ALA A 66 -15.714 3.814 2.259 1.00 1.00 C ATOM 1027 C ALA A 66 -15.079 4.769 1.244 1.00 1.00 C ATOM 1028 O ALA A 66 -15.451 5.930 1.187 1.00 1.00 O ATOM 1029 CB ALA A 66 -14.699 3.421 3.349 1.00 1.00 C ATOM 0 H ALA A 66 -15.753 1.745 1.853 1.00 1.00 H new ATOM 0 HA ALA A 66 -16.550 4.328 2.734 1.00 1.00 H new ATOM 0 HB1 ALA A 66 -14.333 4.319 3.846 1.00 1.00 H new ATOM 0 HB2 ALA A 66 -15.183 2.773 4.080 1.00 1.00 H new ATOM 0 HB3 ALA A 66 -13.862 2.892 2.893 1.00 1.00 H new ATOM 1035 N ILE A 67 -14.121 4.237 0.469 1.00 1.00 N ATOM 1036 CA ILE A 67 -13.383 4.973 -0.573 1.00 1.00 C ATOM 1037 C ILE A 67 -13.296 6.470 -0.285 1.00 1.00 C ATOM 1038 O ILE A 67 -12.211 7.043 -0.172 1.00 1.00 O ATOM 1039 CB ILE A 67 -14.067 4.765 -1.939 1.00 1.00 C ATOM 1040 CG1 ILE A 67 -13.984 3.287 -2.341 1.00 1.00 C ATOM 1041 CG2 ILE A 67 -13.368 5.615 -3.006 1.00 1.00 C ATOM 1042 CD1 ILE A 67 -14.888 3.035 -3.552 1.00 1.00 C ATOM 0 H ILE A 67 -13.831 3.263 0.550 1.00 1.00 H new ATOM 0 HA ILE A 67 -12.368 4.577 -0.584 1.00 1.00 H new ATOM 0 HB ILE A 67 -15.112 5.065 -1.860 1.00 1.00 H new ATOM 0 HG12 ILE A 67 -12.954 3.022 -2.581 1.00 1.00 H new ATOM 0 HG13 ILE A 67 -14.290 2.655 -1.508 1.00 1.00 H new ATOM 0 HG21 ILE A 67 -13.856 5.464 -3.969 1.00 1.00 H new ATOM 0 HG22 ILE A 67 -13.429 6.668 -2.730 1.00 1.00 H new ATOM 0 HG23 ILE A 67 -12.322 5.319 -3.079 1.00 1.00 H new ATOM 0 HD11 ILE A 67 -14.829 1.985 -3.838 1.00 1.00 H new ATOM 0 HD12 ILE A 67 -15.918 3.284 -3.295 1.00 1.00 H new ATOM 0 HD13 ILE A 67 -14.561 3.657 -4.386 1.00 1.00 H new ATOM 1054 N THR A 68 -14.457 7.073 -0.217 1.00 1.00 N ATOM 1055 CA THR A 68 -14.608 8.494 -0.001 1.00 1.00 C ATOM 1056 C THR A 68 -13.462 9.125 0.798 1.00 1.00 C ATOM 1057 O THR A 68 -13.101 10.275 0.542 1.00 1.00 O ATOM 1058 CB THR A 68 -15.943 8.762 0.705 1.00 1.00 C ATOM 1059 OG1 THR A 68 -15.926 8.165 1.996 1.00 1.00 O ATOM 1060 CG2 THR A 68 -17.089 8.164 -0.118 1.00 1.00 C ATOM 0 H THR A 68 -15.345 6.580 -0.312 1.00 1.00 H new ATOM 0 HA THR A 68 -14.586 8.963 -0.985 1.00 1.00 H new ATOM 0 HB THR A 68 -16.090 9.838 0.803 1.00 1.00 H new ATOM 0 HG1 THR A 68 -15.485 7.291 1.947 1.00 1.00 H new ATOM 0 HG21 THR A 68 -18.037 8.355 0.385 1.00 1.00 H new ATOM 0 HG22 THR A 68 -17.104 8.622 -1.107 1.00 1.00 H new ATOM 0 HG23 THR A 68 -16.942 7.089 -0.218 1.00 1.00 H new ATOM 1068 N GLY A 69 -12.919 8.419 1.788 1.00 1.00 N ATOM 1069 CA GLY A 69 -11.855 8.983 2.627 1.00 1.00 C ATOM 1070 C GLY A 69 -12.441 9.334 3.984 1.00 1.00 C ATOM 1071 O GLY A 69 -11.720 9.619 4.945 1.00 1.00 O ATOM 0 H GLY A 69 -13.192 7.466 2.030 1.00 1.00 H new ATOM 0 HA2 GLY A 69 -11.042 8.265 2.740 1.00 1.00 H new ATOM 0 HA3 GLY A 69 -11.433 9.871 2.156 1.00 1.00 H new ATOM 1075 N ASP A 70 -13.769 9.325 4.037 1.00 1.00 N ATOM 1076 CA ASP A 70 -14.499 9.649 5.252 1.00 1.00 C ATOM 1077 C ASP A 70 -14.239 8.643 6.367 1.00 1.00 C ATOM 1078 O ASP A 70 -14.009 9.050 7.508 1.00 1.00 O ATOM 1079 CB ASP A 70 -16.001 9.707 4.953 1.00 1.00 C ATOM 1080 CG ASP A 70 -16.331 10.951 4.128 1.00 1.00 C ATOM 1081 OD1 ASP A 70 -15.487 11.830 4.052 1.00 1.00 O ATOM 1082 OD2 ASP A 70 -17.423 11.006 3.588 1.00 1.00 O ATOM 0 H ASP A 70 -14.365 9.094 3.242 1.00 1.00 H new ATOM 0 HA ASP A 70 -14.145 10.621 5.596 1.00 1.00 H new ATOM 0 HB2 ASP A 70 -16.305 8.812 4.411 1.00 1.00 H new ATOM 0 HB3 ASP A 70 -16.564 9.721 5.886 1.00 1.00 H new ATOM 1087 N ASP A 71 -14.326 7.335 6.089 1.00 1.00 N ATOM 1088 CA ASP A 71 -14.138 6.329 7.157 1.00 1.00 C ATOM 1089 C ASP A 71 -12.964 5.395 6.898 1.00 1.00 C ATOM 1090 O ASP A 71 -13.103 4.170 6.944 1.00 1.00 O ATOM 1091 CB ASP A 71 -15.422 5.513 7.273 1.00 1.00 C ATOM 1092 CG ASP A 71 -16.586 6.417 7.660 1.00 1.00 C ATOM 1093 OD1 ASP A 71 -16.475 7.034 8.696 1.00 1.00 O ATOM 1094 OD2 ASP A 71 -17.577 6.452 6.935 1.00 1.00 O ATOM 0 H ASP A 71 -14.519 6.951 5.164 1.00 1.00 H new ATOM 0 HA ASP A 71 -13.914 6.860 8.082 1.00 1.00 H new ATOM 0 HB2 ASP A 71 -15.635 5.019 6.325 1.00 1.00 H new ATOM 0 HB3 ASP A 71 -15.297 4.729 8.020 1.00 1.00 H new ATOM 1099 N VAL A 72 -11.799 5.979 6.666 1.00 1.00 N ATOM 1100 CA VAL A 72 -10.579 5.197 6.442 1.00 1.00 C ATOM 1101 C VAL A 72 -9.351 5.939 6.967 1.00 1.00 C ATOM 1102 O VAL A 72 -9.142 7.105 6.640 1.00 1.00 O ATOM 1103 CB VAL A 72 -10.417 4.896 4.945 1.00 1.00 C ATOM 1104 CG1 VAL A 72 -10.814 6.134 4.140 1.00 1.00 C ATOM 1105 CG2 VAL A 72 -8.952 4.515 4.608 1.00 1.00 C ATOM 0 H VAL A 72 -11.666 6.989 6.627 1.00 1.00 H new ATOM 0 HA VAL A 72 -10.667 4.258 6.988 1.00 1.00 H new ATOM 0 HB VAL A 72 -11.059 4.054 4.689 1.00 1.00 H new ATOM 0 HG11 VAL A 72 -10.701 5.927 3.076 1.00 1.00 H new ATOM 0 HG12 VAL A 72 -11.852 6.389 4.352 1.00 1.00 H new ATOM 0 HG13 VAL A 72 -10.172 6.970 4.417 1.00 1.00 H new ATOM 0 HG21 VAL A 72 -8.866 4.307 3.541 1.00 1.00 H new ATOM 0 HG22 VAL A 72 -8.291 5.341 4.871 1.00 1.00 H new ATOM 0 HG23 VAL A 72 -8.667 3.628 5.175 1.00 1.00 H new ATOM 1115 N SER A 73 -8.550 5.254 7.779 1.00 1.00 N ATOM 1116 CA SER A 73 -7.340 5.837 8.341 1.00 1.00 C ATOM 1117 C SER A 73 -6.318 4.719 8.567 1.00 1.00 C ATOM 1118 O SER A 73 -6.634 3.543 8.378 1.00 1.00 O ATOM 1119 CB SER A 73 -7.660 6.541 9.661 1.00 1.00 C ATOM 1120 OG SER A 73 -8.646 7.542 9.434 1.00 1.00 O ATOM 0 H SER A 73 -8.721 4.289 8.062 1.00 1.00 H new ATOM 0 HA SER A 73 -6.929 6.576 7.653 1.00 1.00 H new ATOM 0 HB2 SER A 73 -8.021 5.819 10.393 1.00 1.00 H new ATOM 0 HB3 SER A 73 -6.757 6.991 10.075 1.00 1.00 H new ATOM 0 HG SER A 73 -8.854 7.994 10.278 1.00 1.00 H new ATOM 1126 N LEU A 74 -5.082 5.082 8.896 1.00 1.00 N ATOM 1127 CA LEU A 74 -4.010 4.090 9.044 1.00 1.00 C ATOM 1128 C LEU A 74 -4.460 2.827 9.777 1.00 1.00 C ATOM 1129 O LEU A 74 -5.041 2.878 10.862 1.00 1.00 O ATOM 1130 CB LEU A 74 -2.821 4.723 9.806 1.00 1.00 C ATOM 1131 CG LEU A 74 -1.832 5.340 8.808 1.00 1.00 C ATOM 1132 CD1 LEU A 74 -0.808 6.196 9.567 1.00 1.00 C ATOM 1133 CD2 LEU A 74 -1.115 4.215 8.009 1.00 1.00 C ATOM 0 H LEU A 74 -4.794 6.046 9.065 1.00 1.00 H new ATOM 0 HA LEU A 74 -3.714 3.792 8.038 1.00 1.00 H new ATOM 0 HB2 LEU A 74 -3.183 5.488 10.493 1.00 1.00 H new ATOM 0 HB3 LEU A 74 -2.319 3.966 10.408 1.00 1.00 H new ATOM 0 HG LEU A 74 -2.371 5.974 8.104 1.00 1.00 H new ATOM 0 HD11 LEU A 74 -0.105 6.635 8.859 1.00 1.00 H new ATOM 0 HD12 LEU A 74 -1.325 6.991 10.105 1.00 1.00 H new ATOM 0 HD13 LEU A 74 -0.266 5.571 10.277 1.00 1.00 H new ATOM 0 HD21 LEU A 74 -0.415 4.660 7.303 1.00 1.00 H new ATOM 0 HD22 LEU A 74 -0.573 3.568 8.699 1.00 1.00 H new ATOM 0 HD23 LEU A 74 -1.854 3.627 7.465 1.00 1.00 H new ATOM 1145 N ASP A 75 -4.155 1.685 9.145 1.00 1.00 N ATOM 1146 CA ASP A 75 -4.482 0.367 9.686 1.00 1.00 C ATOM 1147 C ASP A 75 -3.216 -0.316 10.210 1.00 1.00 C ATOM 1148 O ASP A 75 -3.078 -0.541 11.414 1.00 1.00 O ATOM 1149 CB ASP A 75 -5.108 -0.503 8.596 1.00 1.00 C ATOM 1150 CG ASP A 75 -5.426 -1.891 9.151 1.00 1.00 C ATOM 1151 OD1 ASP A 75 -5.368 -2.049 10.360 1.00 1.00 O ATOM 1152 OD2 ASP A 75 -5.720 -2.771 8.360 1.00 1.00 O ATOM 0 H ASP A 75 -3.675 1.654 8.245 1.00 1.00 H new ATOM 0 HA ASP A 75 -5.191 0.493 10.505 1.00 1.00 H new ATOM 0 HB2 ASP A 75 -6.019 -0.034 8.224 1.00 1.00 H new ATOM 0 HB3 ASP A 75 -4.425 -0.588 7.751 1.00 1.00 H new ATOM 1157 N GLN A 76 -2.281 -0.644 9.296 1.00 1.00 N ATOM 1158 CA GLN A 76 -1.017 -1.299 9.676 1.00 1.00 C ATOM 1159 C GLN A 76 0.184 -0.499 9.152 1.00 1.00 C ATOM 1160 O GLN A 76 0.060 0.683 8.822 1.00 1.00 O ATOM 1161 CB GLN A 76 -0.959 -2.754 9.153 1.00 1.00 C ATOM 1162 CG GLN A 76 -0.226 -3.642 10.176 1.00 1.00 C ATOM 1163 CD GLN A 76 0.053 -5.023 9.592 1.00 1.00 C ATOM 1164 OE1 GLN A 76 -0.861 -5.700 9.126 1.00 1.00 O ATOM 1165 NE2 GLN A 76 1.279 -5.477 9.589 1.00 1.00 N ATOM 0 H GLN A 76 -2.378 -0.467 8.296 1.00 1.00 H new ATOM 0 HA GLN A 76 -0.973 -1.328 10.765 1.00 1.00 H new ATOM 0 HB2 GLN A 76 -1.968 -3.131 8.986 1.00 1.00 H new ATOM 0 HB3 GLN A 76 -0.443 -2.786 8.193 1.00 1.00 H new ATOM 0 HG2 GLN A 76 0.712 -3.170 10.469 1.00 1.00 H new ATOM 0 HG3 GLN A 76 -0.829 -3.739 11.079 1.00 1.00 H new ATOM 0 HE21 GLN A 76 2.033 -4.911 9.977 1.00 1.00 H new ATOM 0 HE22 GLN A 76 1.481 -6.397 9.199 1.00 1.00 H new ATOM 1174 N ILE A 77 1.344 -1.157 9.069 1.00 1.00 N ATOM 1175 CA ILE A 77 2.570 -0.524 8.585 1.00 1.00 C ATOM 1176 C ILE A 77 3.518 -1.589 8.037 1.00 1.00 C ATOM 1177 O ILE A 77 3.905 -2.515 8.750 1.00 1.00 O ATOM 1178 CB ILE A 77 3.253 0.263 9.733 1.00 1.00 C ATOM 1179 CG1 ILE A 77 2.358 1.447 10.146 1.00 1.00 C ATOM 1180 CG2 ILE A 77 4.625 0.796 9.279 1.00 1.00 C ATOM 1181 CD1 ILE A 77 3.078 2.349 11.153 1.00 1.00 C ATOM 0 H ILE A 77 1.458 -2.136 9.334 1.00 1.00 H new ATOM 0 HA ILE A 77 2.320 0.174 7.786 1.00 1.00 H new ATOM 0 HB ILE A 77 3.397 -0.407 10.580 1.00 1.00 H new ATOM 0 HG12 ILE A 77 2.083 2.026 9.264 1.00 1.00 H new ATOM 0 HG13 ILE A 77 1.432 1.073 10.583 1.00 1.00 H new ATOM 0 HG21 ILE A 77 5.091 1.346 10.097 1.00 1.00 H new ATOM 0 HG22 ILE A 77 5.264 -0.040 8.994 1.00 1.00 H new ATOM 0 HG23 ILE A 77 4.493 1.460 8.425 1.00 1.00 H new ATOM 0 HD11 ILE A 77 2.427 3.178 11.430 1.00 1.00 H new ATOM 0 HD12 ILE A 77 3.330 1.772 12.043 1.00 1.00 H new ATOM 0 HD13 ILE A 77 3.991 2.740 10.704 1.00 1.00 H new ATOM 1193 N VAL A 78 3.902 -1.434 6.772 1.00 1.00 N ATOM 1194 CA VAL A 78 4.828 -2.365 6.121 1.00 1.00 C ATOM 1195 C VAL A 78 6.062 -1.586 5.658 1.00 1.00 C ATOM 1196 O VAL A 78 6.048 -0.991 4.582 1.00 1.00 O ATOM 1197 CB VAL A 78 4.153 -3.021 4.913 1.00 1.00 C ATOM 1198 CG1 VAL A 78 5.183 -3.852 4.143 1.00 1.00 C ATOM 1199 CG2 VAL A 78 3.027 -3.937 5.398 1.00 1.00 C ATOM 0 H VAL A 78 3.586 -0.671 6.174 1.00 1.00 H new ATOM 0 HA VAL A 78 5.118 -3.144 6.826 1.00 1.00 H new ATOM 0 HB VAL A 78 3.744 -2.249 4.261 1.00 1.00 H new ATOM 0 HG11 VAL A 78 4.704 -4.319 3.283 1.00 1.00 H new ATOM 0 HG12 VAL A 78 5.991 -3.205 3.801 1.00 1.00 H new ATOM 0 HG13 VAL A 78 5.589 -4.624 4.796 1.00 1.00 H new ATOM 0 HG21 VAL A 78 2.544 -4.406 4.540 1.00 1.00 H new ATOM 0 HG22 VAL A 78 3.440 -4.708 6.048 1.00 1.00 H new ATOM 0 HG23 VAL A 78 2.294 -3.350 5.951 1.00 1.00 H new ATOM 1209 N PRO A 79 7.112 -1.540 6.451 1.00 1.00 N ATOM 1210 CA PRO A 79 8.338 -0.772 6.098 1.00 1.00 C ATOM 1211 C PRO A 79 9.265 -1.540 5.168 1.00 1.00 C ATOM 1212 O PRO A 79 9.590 -2.703 5.412 1.00 1.00 O ATOM 1213 CB PRO A 79 8.998 -0.527 7.457 1.00 1.00 C ATOM 1214 CG PRO A 79 8.611 -1.705 8.298 1.00 1.00 C ATOM 1215 CD PRO A 79 7.260 -2.213 7.758 1.00 1.00 C ATOM 0 HA PRO A 79 8.107 0.143 5.552 1.00 1.00 H new ATOM 0 HB2 PRO A 79 10.081 -0.450 7.361 1.00 1.00 H new ATOM 0 HB3 PRO A 79 8.650 0.406 7.901 1.00 1.00 H new ATOM 0 HG2 PRO A 79 9.369 -2.486 8.241 1.00 1.00 H new ATOM 0 HG3 PRO A 79 8.526 -1.420 9.347 1.00 1.00 H new ATOM 0 HD2 PRO A 79 7.258 -3.298 7.649 1.00 1.00 H new ATOM 0 HD3 PRO A 79 6.442 -1.958 8.431 1.00 1.00 H new ATOM 1223 N LEU A 80 9.675 -0.883 4.091 1.00 1.00 N ATOM 1224 CA LEU A 80 10.547 -1.503 3.114 1.00 1.00 C ATOM 1225 C LEU A 80 11.874 -1.917 3.738 1.00 1.00 C ATOM 1226 O LEU A 80 12.575 -1.117 4.356 1.00 1.00 O ATOM 1227 CB LEU A 80 10.802 -0.517 1.974 1.00 1.00 C ATOM 1228 CG LEU A 80 9.482 -0.212 1.250 1.00 1.00 C ATOM 1229 CD1 LEU A 80 9.679 0.987 0.319 1.00 1.00 C ATOM 1230 CD2 LEU A 80 9.018 -1.432 0.429 1.00 1.00 C ATOM 0 H LEU A 80 9.415 0.080 3.876 1.00 1.00 H new ATOM 0 HA LEU A 80 10.059 -2.401 2.735 1.00 1.00 H new ATOM 0 HB2 LEU A 80 11.234 0.404 2.366 1.00 1.00 H new ATOM 0 HB3 LEU A 80 11.524 -0.935 1.273 1.00 1.00 H new ATOM 0 HG LEU A 80 8.719 0.017 1.994 1.00 1.00 H new ATOM 0 HD11 LEU A 80 8.743 1.205 -0.196 1.00 1.00 H new ATOM 0 HD12 LEU A 80 9.983 1.855 0.903 1.00 1.00 H new ATOM 0 HD13 LEU A 80 10.451 0.755 -0.414 1.00 1.00 H new ATOM 0 HD21 LEU A 80 8.081 -1.196 -0.076 1.00 1.00 H new ATOM 0 HD22 LEU A 80 9.777 -1.682 -0.312 1.00 1.00 H new ATOM 0 HD23 LEU A 80 8.867 -2.282 1.094 1.00 1.00 H new ATOM 1242 N SER A 81 12.191 -3.189 3.557 1.00 1.00 N ATOM 1243 CA SER A 81 13.425 -3.770 4.083 1.00 1.00 C ATOM 1244 C SER A 81 14.051 -4.693 3.045 1.00 1.00 C ATOM 1245 O SER A 81 13.419 -5.048 2.057 1.00 1.00 O ATOM 1246 CB SER A 81 13.129 -4.558 5.358 1.00 1.00 C ATOM 1247 OG SER A 81 12.078 -5.480 5.106 1.00 1.00 O ATOM 0 H SER A 81 11.606 -3.849 3.044 1.00 1.00 H new ATOM 0 HA SER A 81 14.122 -2.964 4.313 1.00 1.00 H new ATOM 0 HB2 SER A 81 14.023 -5.088 5.687 1.00 1.00 H new ATOM 0 HB3 SER A 81 12.847 -3.878 6.162 1.00 1.00 H new ATOM 0 HG SER A 81 11.887 -5.989 5.921 1.00 1.00 H new ATOM 1253 N LYS A 82 15.306 -5.058 3.255 1.00 1.00 N ATOM 1254 CA LYS A 82 16.002 -5.924 2.310 1.00 1.00 C ATOM 1255 C LYS A 82 15.213 -7.204 2.059 1.00 1.00 C ATOM 1256 O LYS A 82 15.085 -7.648 0.918 1.00 1.00 O ATOM 1257 CB LYS A 82 17.391 -6.262 2.860 1.00 1.00 C ATOM 1258 CG LYS A 82 17.267 -7.211 4.053 1.00 1.00 C ATOM 1259 CD LYS A 82 18.623 -7.343 4.732 1.00 1.00 C ATOM 1260 CE LYS A 82 18.482 -8.232 5.965 1.00 1.00 C ATOM 1261 NZ LYS A 82 18.038 -9.595 5.549 1.00 1.00 N ATOM 0 H LYS A 82 15.861 -4.773 4.062 1.00 1.00 H new ATOM 0 HA LYS A 82 16.101 -5.398 1.360 1.00 1.00 H new ATOM 0 HB2 LYS A 82 17.997 -6.723 2.080 1.00 1.00 H new ATOM 0 HB3 LYS A 82 17.903 -5.349 3.163 1.00 1.00 H new ATOM 0 HG2 LYS A 82 16.529 -6.831 4.759 1.00 1.00 H new ATOM 0 HG3 LYS A 82 16.917 -8.188 3.721 1.00 1.00 H new ATOM 0 HD2 LYS A 82 19.349 -7.771 4.041 1.00 1.00 H new ATOM 0 HD3 LYS A 82 18.997 -6.360 5.018 1.00 1.00 H new ATOM 0 HE2 LYS A 82 19.434 -8.293 6.493 1.00 1.00 H new ATOM 0 HE3 LYS A 82 17.761 -7.799 6.658 1.00 1.00 H new ATOM 0 HZ1 LYS A 82 17.958 -10.205 6.387 1.00 1.00 H new ATOM 0 HZ2 LYS A 82 17.113 -9.530 5.079 1.00 1.00 H new ATOM 0 HZ3 LYS A 82 18.733 -10.001 4.890 1.00 1.00 H new ATOM 1275 N ASP A 83 14.697 -7.804 3.124 1.00 1.00 N ATOM 1276 CA ASP A 83 13.939 -9.043 2.993 1.00 1.00 C ATOM 1277 C ASP A 83 12.676 -8.810 2.163 1.00 1.00 C ATOM 1278 O ASP A 83 11.993 -9.758 1.773 1.00 1.00 O ATOM 1279 CB ASP A 83 13.570 -9.568 4.382 1.00 1.00 C ATOM 1280 CG ASP A 83 14.819 -10.083 5.093 1.00 1.00 C ATOM 1281 OD1 ASP A 83 15.810 -10.313 4.418 1.00 1.00 O ATOM 1282 OD2 ASP A 83 14.767 -10.239 6.303 1.00 1.00 O ATOM 0 H ASP A 83 14.788 -7.458 4.079 1.00 1.00 H new ATOM 0 HA ASP A 83 14.554 -9.783 2.482 1.00 1.00 H new ATOM 0 HB2 ASP A 83 13.108 -8.774 4.969 1.00 1.00 H new ATOM 0 HB3 ASP A 83 12.835 -10.368 4.294 1.00 1.00 H new ATOM 1287 N PHE A 84 12.390 -7.544 1.879 1.00 1.00 N ATOM 1288 CA PHE A 84 11.224 -7.194 1.075 1.00 1.00 C ATOM 1289 C PHE A 84 11.419 -7.703 -0.348 1.00 1.00 C ATOM 1290 O PHE A 84 12.502 -7.578 -0.921 1.00 1.00 O ATOM 1291 CB PHE A 84 11.028 -5.676 1.059 1.00 1.00 C ATOM 1292 CG PHE A 84 9.658 -5.319 0.531 1.00 1.00 C ATOM 1293 CD1 PHE A 84 9.415 -5.319 -0.848 1.00 1.00 C ATOM 1294 CD2 PHE A 84 8.637 -4.957 1.419 1.00 1.00 C ATOM 1295 CE1 PHE A 84 8.155 -4.956 -1.337 1.00 1.00 C ATOM 1296 CE2 PHE A 84 7.376 -4.601 0.930 1.00 1.00 C ATOM 1297 CZ PHE A 84 7.135 -4.598 -0.448 1.00 1.00 C ATOM 0 H PHE A 84 12.945 -6.747 2.191 1.00 1.00 H new ATOM 0 HA PHE A 84 10.339 -7.657 1.511 1.00 1.00 H new ATOM 0 HB2 PHE A 84 11.150 -5.278 2.066 1.00 1.00 H new ATOM 0 HB3 PHE A 84 11.795 -5.212 0.438 1.00 1.00 H new ATOM 0 HD1 PHE A 84 10.200 -5.599 -1.534 1.00 1.00 H new ATOM 0 HD2 PHE A 84 8.824 -4.953 2.483 1.00 1.00 H new ATOM 0 HE1 PHE A 84 7.970 -4.952 -2.401 1.00 1.00 H new ATOM 0 HE2 PHE A 84 6.588 -4.328 1.616 1.00 1.00 H new ATOM 0 HZ PHE A 84 6.162 -4.320 -0.826 1.00 1.00 H new ATOM 1307 N MET A 85 10.360 -8.258 -0.914 1.00 1.00 N ATOM 1308 CA MET A 85 10.407 -8.767 -2.280 1.00 1.00 C ATOM 1309 C MET A 85 8.996 -9.056 -2.776 1.00 1.00 C ATOM 1310 O MET A 85 8.167 -9.586 -2.036 1.00 1.00 O ATOM 1311 CB MET A 85 11.246 -10.046 -2.355 1.00 1.00 C ATOM 1312 CG MET A 85 11.385 -10.481 -3.818 1.00 1.00 C ATOM 1313 SD MET A 85 12.419 -11.968 -3.915 1.00 1.00 S ATOM 1314 CE MET A 85 11.299 -13.107 -3.060 1.00 1.00 C ATOM 0 H MET A 85 9.457 -8.369 -0.452 1.00 1.00 H new ATOM 0 HA MET A 85 10.868 -8.008 -2.911 1.00 1.00 H new ATOM 0 HB2 MET A 85 12.231 -9.874 -1.921 1.00 1.00 H new ATOM 0 HB3 MET A 85 10.775 -10.838 -1.772 1.00 1.00 H new ATOM 0 HG2 MET A 85 10.402 -10.681 -4.243 1.00 1.00 H new ATOM 0 HG3 MET A 85 11.829 -9.678 -4.406 1.00 1.00 H new ATOM 0 HE1 MET A 85 11.314 -14.076 -3.559 1.00 1.00 H new ATOM 0 HE2 MET A 85 11.622 -13.227 -2.026 1.00 1.00 H new ATOM 0 HE3 MET A 85 10.286 -12.705 -3.080 1.00 1.00 H new ATOM 1324 N LEU A 86 8.731 -8.719 -4.033 1.00 1.00 N ATOM 1325 CA LEU A 86 7.420 -8.960 -4.627 1.00 1.00 C ATOM 1326 C LEU A 86 7.485 -10.188 -5.520 1.00 1.00 C ATOM 1327 O LEU A 86 8.348 -10.277 -6.394 1.00 1.00 O ATOM 1328 CB LEU A 86 6.999 -7.738 -5.453 1.00 1.00 C ATOM 1329 CG LEU A 86 8.020 -7.477 -6.598 1.00 1.00 C ATOM 1330 CD1 LEU A 86 7.499 -8.054 -7.930 1.00 1.00 C ATOM 1331 CD2 LEU A 86 8.249 -5.966 -6.766 1.00 1.00 C ATOM 0 H LEU A 86 9.405 -8.279 -4.660 1.00 1.00 H new ATOM 0 HA LEU A 86 6.688 -9.129 -3.837 1.00 1.00 H new ATOM 0 HB2 LEU A 86 6.006 -7.900 -5.873 1.00 1.00 H new ATOM 0 HB3 LEU A 86 6.934 -6.861 -4.809 1.00 1.00 H new ATOM 0 HG LEU A 86 8.958 -7.966 -6.335 1.00 1.00 H new ATOM 0 HD11 LEU A 86 8.226 -7.862 -8.719 1.00 1.00 H new ATOM 0 HD12 LEU A 86 7.350 -9.129 -7.827 1.00 1.00 H new ATOM 0 HD13 LEU A 86 6.552 -7.579 -8.186 1.00 1.00 H new ATOM 0 HD21 LEU A 86 8.965 -5.794 -7.570 1.00 1.00 H new ATOM 0 HD22 LEU A 86 7.305 -5.480 -7.011 1.00 1.00 H new ATOM 0 HD23 LEU A 86 8.640 -5.552 -5.837 1.00 1.00 H new ATOM 1343 N GLU A 87 6.585 -11.149 -5.298 1.00 1.00 N ATOM 1344 CA GLU A 87 6.568 -12.376 -6.096 1.00 1.00 C ATOM 1345 C GLU A 87 5.318 -12.445 -6.961 1.00 1.00 C ATOM 1346 O GLU A 87 4.194 -12.416 -6.460 1.00 1.00 O ATOM 1347 CB GLU A 87 6.596 -13.597 -5.169 1.00 1.00 C ATOM 1348 CG GLU A 87 7.934 -13.658 -4.431 1.00 1.00 C ATOM 1349 CD GLU A 87 9.067 -13.925 -5.418 1.00 1.00 C ATOM 1350 OE1 GLU A 87 8.951 -14.872 -6.179 1.00 1.00 O ATOM 1351 OE2 GLU A 87 10.032 -13.180 -5.399 1.00 1.00 O ATOM 0 H GLU A 87 5.864 -11.102 -4.578 1.00 1.00 H new ATOM 0 HA GLU A 87 7.447 -12.372 -6.741 1.00 1.00 H new ATOM 0 HB2 GLU A 87 5.777 -13.539 -4.452 1.00 1.00 H new ATOM 0 HB3 GLU A 87 6.448 -14.508 -5.749 1.00 1.00 H new ATOM 0 HG2 GLU A 87 8.112 -12.719 -3.907 1.00 1.00 H new ATOM 0 HG3 GLU A 87 7.906 -14.444 -3.676 1.00 1.00 H new ATOM 1358 N GLU A 88 5.529 -12.562 -8.264 1.00 1.00 N ATOM 1359 CA GLU A 88 4.421 -12.666 -9.201 1.00 1.00 C ATOM 1360 C GLU A 88 3.709 -14.002 -8.999 1.00 1.00 C ATOM 1361 O GLU A 88 4.350 -15.015 -8.728 1.00 1.00 O ATOM 1362 CB GLU A 88 4.942 -12.564 -10.637 1.00 1.00 C ATOM 1363 CG GLU A 88 5.993 -13.651 -10.896 1.00 1.00 C ATOM 1364 CD GLU A 88 5.318 -14.997 -11.148 1.00 1.00 C ATOM 1365 OE1 GLU A 88 4.273 -15.005 -11.778 1.00 1.00 O ATOM 1366 OE2 GLU A 88 5.856 -16.000 -10.707 1.00 1.00 O ATOM 0 H GLU A 88 6.453 -12.587 -8.695 1.00 1.00 H new ATOM 0 HA GLU A 88 3.718 -11.852 -9.022 1.00 1.00 H new ATOM 0 HB2 GLU A 88 4.116 -12.671 -11.340 1.00 1.00 H new ATOM 0 HB3 GLU A 88 5.378 -11.579 -10.805 1.00 1.00 H new ATOM 0 HG2 GLU A 88 6.604 -13.377 -11.756 1.00 1.00 H new ATOM 0 HG3 GLU A 88 6.664 -13.728 -10.040 1.00 1.00 H new ATOM 1373 N VAL A 89 2.383 -14.003 -9.136 1.00 1.00 N ATOM 1374 CA VAL A 89 1.610 -15.237 -8.971 1.00 1.00 C ATOM 1375 C VAL A 89 1.400 -15.914 -10.318 1.00 1.00 C ATOM 1376 O VAL A 89 1.082 -15.265 -11.316 1.00 1.00 O ATOM 1377 CB VAL A 89 0.252 -14.945 -8.336 1.00 1.00 C ATOM 1378 CG1 VAL A 89 -0.403 -16.255 -7.887 1.00 1.00 C ATOM 1379 CG2 VAL A 89 0.437 -14.020 -7.128 1.00 1.00 C ATOM 0 H VAL A 89 1.827 -13.177 -9.358 1.00 1.00 H new ATOM 0 HA VAL A 89 2.173 -15.901 -8.315 1.00 1.00 H new ATOM 0 HB VAL A 89 -0.390 -14.457 -9.069 1.00 1.00 H new ATOM 0 HG11 VAL A 89 -1.371 -16.041 -7.435 1.00 1.00 H new ATOM 0 HG12 VAL A 89 -0.541 -16.907 -8.750 1.00 1.00 H new ATOM 0 HG13 VAL A 89 0.237 -16.750 -7.157 1.00 1.00 H new ATOM 0 HG21 VAL A 89 -0.533 -13.813 -6.676 1.00 1.00 H new ATOM 0 HG22 VAL A 89 1.083 -14.504 -6.395 1.00 1.00 H new ATOM 0 HG23 VAL A 89 0.893 -13.085 -7.452 1.00 1.00 H new ATOM 1389 N SER A 90 1.584 -17.222 -10.338 1.00 1.00 N ATOM 1390 CA SER A 90 1.423 -17.992 -11.567 1.00 1.00 C ATOM 1391 C SER A 90 0.116 -17.601 -12.282 1.00 1.00 C ATOM 1392 O SER A 90 -0.950 -17.649 -11.670 1.00 1.00 O ATOM 1393 CB SER A 90 1.391 -19.484 -11.238 1.00 1.00 C ATOM 1394 OG SER A 90 2.683 -19.899 -10.813 1.00 1.00 O ATOM 0 H SER A 90 1.844 -17.776 -9.522 1.00 1.00 H new ATOM 0 HA SER A 90 2.265 -17.776 -12.225 1.00 1.00 H new ATOM 0 HB2 SER A 90 0.658 -19.680 -10.456 1.00 1.00 H new ATOM 0 HB3 SER A 90 1.083 -20.055 -12.114 1.00 1.00 H new ATOM 0 HG SER A 90 2.666 -20.855 -10.599 1.00 1.00 H new ATOM 1533 N SER A 100 -8.134 -6.363 -16.597 1.00 1.00 N ATOM 1534 CA SER A 100 -8.903 -5.516 -15.681 1.00 1.00 C ATOM 1535 C SER A 100 -8.686 -5.985 -14.243 1.00 1.00 C ATOM 1536 O SER A 100 -9.542 -5.811 -13.375 1.00 1.00 O ATOM 1537 CB SER A 100 -10.387 -5.581 -16.049 1.00 1.00 C ATOM 1538 OG SER A 100 -10.518 -5.417 -17.457 1.00 1.00 O ATOM 0 HA SER A 100 -8.565 -4.483 -15.765 1.00 1.00 H new ATOM 0 HB2 SER A 100 -10.811 -6.536 -15.739 1.00 1.00 H new ATOM 0 HB3 SER A 100 -10.940 -4.802 -15.525 1.00 1.00 H new ATOM 0 HG SER A 100 -9.690 -5.700 -17.898 1.00 1.00 H new ATOM 1544 N ASP A 101 -7.513 -6.565 -14.016 1.00 1.00 N ATOM 1545 CA ASP A 101 -7.123 -7.059 -12.698 1.00 1.00 C ATOM 1546 C ASP A 101 -5.666 -7.474 -12.725 1.00 1.00 C ATOM 1547 O ASP A 101 -5.170 -7.915 -13.755 1.00 1.00 O ATOM 1548 CB ASP A 101 -7.972 -8.261 -12.285 1.00 1.00 C ATOM 1549 CG ASP A 101 -7.841 -9.373 -13.318 1.00 1.00 C ATOM 1550 OD1 ASP A 101 -7.197 -9.145 -14.328 1.00 1.00 O ATOM 1551 OD2 ASP A 101 -8.388 -10.438 -13.083 1.00 1.00 O ATOM 0 H ASP A 101 -6.806 -6.706 -14.738 1.00 1.00 H new ATOM 0 HA ASP A 101 -7.277 -6.257 -11.976 1.00 1.00 H new ATOM 0 HB2 ASP A 101 -7.653 -8.623 -11.307 1.00 1.00 H new ATOM 0 HB3 ASP A 101 -9.016 -7.963 -12.190 1.00 1.00 H new ATOM 1556 N VAL A 102 -4.985 -7.346 -11.588 1.00 1.00 N ATOM 1557 CA VAL A 102 -3.573 -7.728 -11.492 1.00 1.00 C ATOM 1558 C VAL A 102 -3.358 -8.573 -10.250 1.00 1.00 C ATOM 1559 O VAL A 102 -4.079 -8.446 -9.264 1.00 1.00 O ATOM 1560 CB VAL A 102 -2.668 -6.482 -11.437 1.00 1.00 C ATOM 1561 CG1 VAL A 102 -3.125 -5.535 -10.311 1.00 1.00 C ATOM 1562 CG2 VAL A 102 -1.213 -6.918 -11.196 1.00 1.00 C ATOM 0 H VAL A 102 -5.384 -6.983 -10.722 1.00 1.00 H new ATOM 0 HA VAL A 102 -3.310 -8.304 -12.379 1.00 1.00 H new ATOM 0 HB VAL A 102 -2.737 -5.950 -12.386 1.00 1.00 H new ATOM 0 HG11 VAL A 102 -2.476 -4.660 -10.286 1.00 1.00 H new ATOM 0 HG12 VAL A 102 -4.152 -5.219 -10.495 1.00 1.00 H new ATOM 0 HG13 VAL A 102 -3.071 -6.055 -9.354 1.00 1.00 H new ATOM 0 HG21 VAL A 102 -0.571 -6.038 -11.157 1.00 1.00 H new ATOM 0 HG22 VAL A 102 -1.147 -7.458 -10.251 1.00 1.00 H new ATOM 0 HG23 VAL A 102 -0.888 -7.568 -12.009 1.00 1.00 H new ATOM 1572 N THR A 103 -2.342 -9.424 -10.308 1.00 1.00 N ATOM 1573 CA THR A 103 -2.011 -10.298 -9.175 1.00 1.00 C ATOM 1574 C THR A 103 -0.603 -10.008 -8.658 1.00 1.00 C ATOM 1575 O THR A 103 0.390 -10.198 -9.361 1.00 1.00 O ATOM 1576 CB THR A 103 -2.129 -11.778 -9.596 1.00 1.00 C ATOM 1577 OG1 THR A 103 -3.126 -11.900 -10.602 1.00 1.00 O ATOM 1578 CG2 THR A 103 -2.528 -12.634 -8.386 1.00 1.00 C ATOM 0 H THR A 103 -1.733 -9.532 -11.119 1.00 1.00 H new ATOM 0 HA THR A 103 -2.718 -10.099 -8.370 1.00 1.00 H new ATOM 0 HB THR A 103 -1.168 -12.121 -9.980 1.00 1.00 H new ATOM 0 HG1 THR A 103 -3.203 -12.838 -10.874 1.00 1.00 H new ATOM 0 HG21 THR A 103 -2.610 -13.678 -8.690 1.00 1.00 H new ATOM 0 HG22 THR A 103 -1.770 -12.541 -7.608 1.00 1.00 H new ATOM 0 HG23 THR A 103 -3.488 -12.292 -7.999 1.00 1.00 H new ATOM 1586 N VAL A 104 -0.539 -9.556 -7.408 1.00 1.00 N ATOM 1587 CA VAL A 104 0.730 -9.240 -6.757 1.00 1.00 C ATOM 1588 C VAL A 104 0.758 -9.875 -5.367 1.00 1.00 C ATOM 1589 O VAL A 104 -0.227 -9.815 -4.632 1.00 1.00 O ATOM 1590 CB VAL A 104 0.889 -7.716 -6.651 1.00 1.00 C ATOM 1591 CG1 VAL A 104 -0.023 -7.167 -5.549 1.00 1.00 C ATOM 1592 CG2 VAL A 104 2.345 -7.373 -6.327 1.00 1.00 C ATOM 0 H VAL A 104 -1.359 -9.399 -6.821 1.00 1.00 H new ATOM 0 HA VAL A 104 1.556 -9.639 -7.346 1.00 1.00 H new ATOM 0 HB VAL A 104 0.610 -7.264 -7.603 1.00 1.00 H new ATOM 0 HG11 VAL A 104 0.097 -6.086 -5.482 1.00 1.00 H new ATOM 0 HG12 VAL A 104 -1.061 -7.403 -5.785 1.00 1.00 H new ATOM 0 HG13 VAL A 104 0.245 -7.622 -4.595 1.00 1.00 H new ATOM 0 HG21 VAL A 104 2.456 -6.291 -6.252 1.00 1.00 H new ATOM 0 HG22 VAL A 104 2.625 -7.833 -5.379 1.00 1.00 H new ATOM 0 HG23 VAL A 104 2.992 -7.750 -7.119 1.00 1.00 H new ATOM 1602 N GLN A 105 1.886 -10.486 -5.015 1.00 1.00 N ATOM 1603 CA GLN A 105 2.035 -11.136 -3.710 1.00 1.00 C ATOM 1604 C GLN A 105 3.218 -10.543 -2.958 1.00 1.00 C ATOM 1605 O GLN A 105 4.360 -10.687 -3.390 1.00 1.00 O ATOM 1606 CB GLN A 105 2.258 -12.639 -3.925 1.00 1.00 C ATOM 1607 CG GLN A 105 1.946 -13.414 -2.643 1.00 1.00 C ATOM 1608 CD GLN A 105 2.954 -13.054 -1.559 1.00 1.00 C ATOM 1609 OE1 GLN A 105 4.134 -13.379 -1.676 1.00 1.00 O ATOM 1610 NE2 GLN A 105 2.559 -12.391 -0.508 1.00 1.00 N ATOM 0 H GLN A 105 2.711 -10.546 -5.612 1.00 1.00 H new ATOM 0 HA GLN A 105 1.133 -10.975 -3.120 1.00 1.00 H new ATOM 0 HB2 GLN A 105 1.623 -12.995 -4.736 1.00 1.00 H new ATOM 0 HB3 GLN A 105 3.290 -12.821 -4.225 1.00 1.00 H new ATOM 0 HG2 GLN A 105 0.936 -13.182 -2.304 1.00 1.00 H new ATOM 0 HG3 GLN A 105 1.978 -14.486 -2.839 1.00 1.00 H new ATOM 0 HE21 GLN A 105 1.580 -12.122 -0.413 1.00 1.00 H new ATOM 0 HE22 GLN A 105 3.229 -12.141 0.219 1.00 1.00 H new ATOM 1619 N LEU A 106 2.951 -9.851 -1.847 1.00 1.00 N ATOM 1620 CA LEU A 106 4.017 -9.227 -1.070 1.00 1.00 C ATOM 1621 C LEU A 106 4.705 -10.247 -0.173 1.00 1.00 C ATOM 1622 O LEU A 106 4.078 -10.844 0.687 1.00 1.00 O ATOM 1623 CB LEU A 106 3.416 -8.131 -0.192 1.00 1.00 C ATOM 1624 CG LEU A 106 2.599 -7.162 -1.052 1.00 1.00 C ATOM 1625 CD1 LEU A 106 1.945 -6.116 -0.144 1.00 1.00 C ATOM 1626 CD2 LEU A 106 3.518 -6.460 -2.065 1.00 1.00 C ATOM 0 H LEU A 106 2.013 -9.711 -1.471 1.00 1.00 H new ATOM 0 HA LEU A 106 4.751 -8.812 -1.760 1.00 1.00 H new ATOM 0 HB2 LEU A 106 2.781 -8.575 0.574 1.00 1.00 H new ATOM 0 HB3 LEU A 106 4.209 -7.591 0.325 1.00 1.00 H new ATOM 0 HG LEU A 106 1.831 -7.715 -1.592 1.00 1.00 H new ATOM 0 HD11 LEU A 106 1.362 -5.422 -0.749 1.00 1.00 H new ATOM 0 HD12 LEU A 106 1.290 -6.614 0.571 1.00 1.00 H new ATOM 0 HD13 LEU A 106 2.718 -5.567 0.394 1.00 1.00 H new ATOM 0 HD21 LEU A 106 2.931 -5.772 -2.673 1.00 1.00 H new ATOM 0 HD22 LEU A 106 4.290 -5.905 -1.532 1.00 1.00 H new ATOM 0 HD23 LEU A 106 3.986 -7.205 -2.709 1.00 1.00 H new ATOM 1638 N ASN A 107 5.996 -10.448 -0.404 1.00 1.00 N ATOM 1639 CA ASN A 107 6.771 -11.424 0.378 1.00 1.00 C ATOM 1640 C ASN A 107 7.728 -10.759 1.357 1.00 1.00 C ATOM 1641 O ASN A 107 8.944 -10.902 1.231 1.00 1.00 O ATOM 1642 CB ASN A 107 7.567 -12.328 -0.555 1.00 1.00 C ATOM 1643 CG ASN A 107 6.677 -12.808 -1.688 1.00 1.00 C ATOM 1644 OD1 ASN A 107 6.186 -11.935 -2.516 1.00 1.00 O flip ATOM 1645 ND2 ASN A 107 6.419 -14.004 -1.819 1.00 1.00 N flip ATOM 0 H ASN A 107 6.532 -9.956 -1.119 1.00 1.00 H new ATOM 0 HA ASN A 107 6.053 -12.007 0.954 1.00 1.00 H new ATOM 0 HB2 ASN A 107 8.424 -11.787 -0.957 1.00 1.00 H new ATOM 0 HB3 ASN A 107 7.960 -13.181 -0.002 1.00 1.00 H new ATOM 0 HD21 ASN A 107 6.808 -14.684 -1.166 1.00 1.00 H new ATOM 0 HD22 ASN A 107 5.817 -14.315 -2.581 1.00 1.00 H new ATOM 1652 N THR A 108 7.192 -10.046 2.341 1.00 1.00 N ATOM 1653 CA THR A 108 8.046 -9.397 3.323 1.00 1.00 C ATOM 1654 C THR A 108 8.652 -10.441 4.256 1.00 1.00 C ATOM 1655 O THR A 108 8.304 -11.620 4.207 1.00 1.00 O ATOM 1656 CB THR A 108 7.242 -8.362 4.135 1.00 1.00 C ATOM 1657 OG1 THR A 108 6.239 -7.794 3.305 1.00 1.00 O ATOM 1658 CG2 THR A 108 8.161 -7.245 4.654 1.00 1.00 C ATOM 0 H THR A 108 6.191 -9.905 2.478 1.00 1.00 H new ATOM 0 HA THR A 108 8.850 -8.878 2.800 1.00 1.00 H new ATOM 0 HB THR A 108 6.786 -8.864 4.988 1.00 1.00 H new ATOM 0 HG1 THR A 108 5.724 -7.136 3.818 1.00 1.00 H new ATOM 0 HG21 THR A 108 7.573 -6.526 5.224 1.00 1.00 H new ATOM 0 HG22 THR A 108 8.930 -7.675 5.296 1.00 1.00 H new ATOM 0 HG23 THR A 108 8.633 -6.741 3.811 1.00 1.00 H new ATOM 1666 N ALA A 109 9.582 -9.990 5.080 1.00 1.00 N ATOM 1667 CA ALA A 109 10.279 -10.875 6.006 1.00 1.00 C ATOM 1668 C ALA A 109 9.302 -11.805 6.722 1.00 1.00 C ATOM 1669 O ALA A 109 9.630 -12.957 7.006 1.00 1.00 O ATOM 1670 CB ALA A 109 11.045 -10.043 7.037 1.00 1.00 C ATOM 0 H ALA A 109 9.875 -9.014 5.129 1.00 1.00 H new ATOM 0 HA ALA A 109 10.976 -11.487 5.433 1.00 1.00 H new ATOM 0 HB1 ALA A 109 11.565 -10.708 7.727 1.00 1.00 H new ATOM 0 HB2 ALA A 109 11.771 -9.410 6.527 1.00 1.00 H new ATOM 0 HB3 ALA A 109 10.346 -9.418 7.592 1.00 1.00 H new ATOM 1676 N GLU A 110 8.101 -11.308 7.008 1.00 1.00 N ATOM 1677 CA GLU A 110 7.084 -12.116 7.685 1.00 1.00 C ATOM 1678 C GLU A 110 5.731 -11.964 7.000 1.00 1.00 C ATOM 1679 O GLU A 110 4.941 -12.907 6.948 1.00 1.00 O ATOM 1680 CB GLU A 110 6.973 -11.683 9.148 1.00 1.00 C ATOM 1681 CG GLU A 110 6.494 -10.232 9.221 1.00 1.00 C ATOM 1682 CD GLU A 110 6.542 -9.743 10.664 1.00 1.00 C ATOM 1683 OE1 GLU A 110 7.493 -10.081 11.350 1.00 1.00 O ATOM 1684 OE2 GLU A 110 5.629 -9.040 11.062 1.00 1.00 O ATOM 0 H GLU A 110 7.807 -10.357 6.784 1.00 1.00 H new ATOM 0 HA GLU A 110 7.382 -13.163 7.635 1.00 1.00 H new ATOM 0 HB2 GLU A 110 6.277 -12.333 9.678 1.00 1.00 H new ATOM 0 HB3 GLU A 110 7.940 -11.782 9.641 1.00 1.00 H new ATOM 0 HG2 GLU A 110 7.122 -9.600 8.593 1.00 1.00 H new ATOM 0 HG3 GLU A 110 5.477 -10.155 8.835 1.00 1.00 H new ATOM 1691 N LEU A 111 5.467 -10.771 6.479 1.00 1.00 N ATOM 1692 CA LEU A 111 4.206 -10.511 5.810 1.00 1.00 C ATOM 1693 C LEU A 111 4.158 -11.294 4.505 1.00 1.00 C ATOM 1694 O LEU A 111 5.100 -11.260 3.712 1.00 1.00 O ATOM 1695 CB LEU A 111 4.064 -8.998 5.541 1.00 1.00 C ATOM 1696 CG LEU A 111 2.582 -8.564 5.521 1.00 1.00 C ATOM 1697 CD1 LEU A 111 1.786 -9.403 4.511 1.00 1.00 C ATOM 1698 CD2 LEU A 111 1.958 -8.706 6.928 1.00 1.00 C ATOM 0 H LEU A 111 6.106 -9.977 6.508 1.00 1.00 H new ATOM 0 HA LEU A 111 3.378 -10.830 6.443 1.00 1.00 H new ATOM 0 HB2 LEU A 111 4.598 -8.439 6.310 1.00 1.00 H new ATOM 0 HB3 LEU A 111 4.529 -8.752 4.587 1.00 1.00 H new ATOM 0 HG LEU A 111 2.539 -7.518 5.219 1.00 1.00 H new ATOM 0 HD11 LEU A 111 0.744 -9.082 4.512 1.00 1.00 H new ATOM 0 HD12 LEU A 111 2.206 -9.268 3.514 1.00 1.00 H new ATOM 0 HD13 LEU A 111 1.841 -10.456 4.789 1.00 1.00 H new ATOM 0 HD21 LEU A 111 0.914 -8.396 6.896 1.00 1.00 H new ATOM 0 HD22 LEU A 111 2.018 -9.746 7.249 1.00 1.00 H new ATOM 0 HD23 LEU A 111 2.502 -8.077 7.632 1.00 1.00 H new ATOM 1710 N LYS A 112 3.046 -11.976 4.281 1.00 1.00 N ATOM 1711 CA LYS A 112 2.857 -12.747 3.063 1.00 1.00 C ATOM 1712 C LYS A 112 1.375 -12.830 2.756 1.00 1.00 C ATOM 1713 O LYS A 112 0.664 -13.655 3.323 1.00 1.00 O ATOM 1714 CB LYS A 112 3.446 -14.151 3.214 1.00 1.00 C ATOM 1715 CG LYS A 112 3.552 -14.801 1.835 1.00 1.00 C ATOM 1716 CD LYS A 112 4.251 -16.151 1.959 1.00 1.00 C ATOM 1717 CE LYS A 112 4.381 -16.779 0.573 1.00 1.00 C ATOM 1718 NZ LYS A 112 5.076 -18.090 0.693 1.00 1.00 N ATOM 0 H LYS A 112 2.259 -12.011 4.929 1.00 1.00 H new ATOM 0 HA LYS A 112 3.375 -12.252 2.241 1.00 1.00 H new ATOM 0 HB2 LYS A 112 4.429 -14.098 3.681 1.00 1.00 H new ATOM 0 HB3 LYS A 112 2.816 -14.755 3.867 1.00 1.00 H new ATOM 0 HG2 LYS A 112 2.559 -14.932 1.406 1.00 1.00 H new ATOM 0 HG3 LYS A 112 4.108 -14.153 1.158 1.00 1.00 H new ATOM 0 HD2 LYS A 112 5.236 -16.024 2.408 1.00 1.00 H new ATOM 0 HD3 LYS A 112 3.683 -16.809 2.617 1.00 1.00 H new ATOM 0 HE2 LYS A 112 3.395 -16.916 0.129 1.00 1.00 H new ATOM 0 HE3 LYS A 112 4.940 -16.117 -0.088 1.00 1.00 H new ATOM 0 HZ1 LYS A 112 5.167 -18.522 -0.249 1.00 1.00 H new ATOM 0 HZ2 LYS A 112 6.022 -17.945 1.101 1.00 1.00 H new ATOM 0 HZ3 LYS A 112 4.525 -18.720 1.311 1.00 1.00 H new ATOM 1732 N LEU A 113 0.912 -11.953 1.868 1.00 1.00 N ATOM 1733 CA LEU A 113 -0.512 -11.905 1.502 1.00 1.00 C ATOM 1734 C LEU A 113 -0.668 -11.764 -0.014 1.00 1.00 C ATOM 1735 O LEU A 113 0.307 -11.557 -0.734 1.00 1.00 O ATOM 1736 CB LEU A 113 -1.188 -10.710 2.223 1.00 1.00 C ATOM 1737 CG LEU A 113 -2.114 -11.181 3.365 1.00 1.00 C ATOM 1738 CD1 LEU A 113 -1.344 -12.048 4.380 1.00 1.00 C ATOM 1739 CD2 LEU A 113 -2.692 -9.954 4.078 1.00 1.00 C ATOM 0 H LEU A 113 1.494 -11.267 1.388 1.00 1.00 H new ATOM 0 HA LEU A 113 -0.993 -12.833 1.811 1.00 1.00 H new ATOM 0 HB2 LEU A 113 -0.422 -10.047 2.626 1.00 1.00 H new ATOM 0 HB3 LEU A 113 -1.765 -10.130 1.503 1.00 1.00 H new ATOM 0 HG LEU A 113 -2.916 -11.784 2.939 1.00 1.00 H new ATOM 0 HD11 LEU A 113 -2.020 -12.366 5.174 1.00 1.00 H new ATOM 0 HD12 LEU A 113 -0.938 -12.925 3.876 1.00 1.00 H new ATOM 0 HD13 LEU A 113 -0.528 -11.467 4.810 1.00 1.00 H new ATOM 0 HD21 LEU A 113 -3.347 -10.278 4.886 1.00 1.00 H new ATOM 0 HD22 LEU A 113 -1.879 -9.355 4.488 1.00 1.00 H new ATOM 0 HD23 LEU A 113 -3.261 -9.355 3.367 1.00 1.00 H new ATOM 1751 N VAL A 114 -1.918 -11.860 -0.480 1.00 1.00 N ATOM 1752 CA VAL A 114 -2.232 -11.730 -1.906 1.00 1.00 C ATOM 1753 C VAL A 114 -3.287 -10.639 -2.113 1.00 1.00 C ATOM 1754 O VAL A 114 -4.326 -10.644 -1.455 1.00 1.00 O ATOM 1755 CB VAL A 114 -2.773 -13.068 -2.434 1.00 1.00 C ATOM 1756 CG1 VAL A 114 -3.337 -12.885 -3.850 1.00 1.00 C ATOM 1757 CG2 VAL A 114 -1.646 -14.105 -2.466 1.00 1.00 C ATOM 0 H VAL A 114 -2.731 -12.028 0.113 1.00 1.00 H new ATOM 0 HA VAL A 114 -1.326 -11.459 -2.448 1.00 1.00 H new ATOM 0 HB VAL A 114 -3.568 -13.413 -1.772 1.00 1.00 H new ATOM 0 HG11 VAL A 114 -3.718 -13.838 -4.216 1.00 1.00 H new ATOM 0 HG12 VAL A 114 -4.146 -12.155 -3.828 1.00 1.00 H new ATOM 0 HG13 VAL A 114 -2.548 -12.531 -4.513 1.00 1.00 H new ATOM 0 HG21 VAL A 114 -2.034 -15.052 -2.841 1.00 1.00 H new ATOM 0 HG22 VAL A 114 -0.848 -13.755 -3.121 1.00 1.00 H new ATOM 0 HG23 VAL A 114 -1.253 -14.247 -1.459 1.00 1.00 H new ATOM 1767 N PHE A 115 -3.018 -9.705 -3.029 1.00 1.00 N ATOM 1768 CA PHE A 115 -3.947 -8.609 -3.323 1.00 1.00 C ATOM 1769 C PHE A 115 -4.324 -8.604 -4.808 1.00 1.00 C ATOM 1770 O PHE A 115 -3.484 -8.829 -5.680 1.00 1.00 O ATOM 1771 CB PHE A 115 -3.296 -7.259 -2.972 1.00 1.00 C ATOM 1772 CG PHE A 115 -3.261 -7.076 -1.472 1.00 1.00 C ATOM 1773 CD1 PHE A 115 -2.222 -7.641 -0.723 1.00 1.00 C ATOM 1774 CD2 PHE A 115 -4.279 -6.361 -0.826 1.00 1.00 C ATOM 1775 CE1 PHE A 115 -2.200 -7.491 0.669 1.00 1.00 C ATOM 1776 CE2 PHE A 115 -4.258 -6.222 0.564 1.00 1.00 C ATOM 1777 CZ PHE A 115 -3.220 -6.785 1.312 1.00 1.00 C ATOM 0 H PHE A 115 -2.161 -9.686 -3.582 1.00 1.00 H new ATOM 0 HA PHE A 115 -4.845 -8.756 -2.724 1.00 1.00 H new ATOM 0 HB2 PHE A 115 -2.284 -7.218 -3.375 1.00 1.00 H new ATOM 0 HB3 PHE A 115 -3.856 -6.445 -3.433 1.00 1.00 H new ATOM 0 HD1 PHE A 115 -1.437 -8.193 -1.219 1.00 1.00 H new ATOM 0 HD2 PHE A 115 -5.078 -5.918 -1.402 1.00 1.00 H new ATOM 0 HE1 PHE A 115 -1.395 -7.921 1.246 1.00 1.00 H new ATOM 0 HE2 PHE A 115 -5.047 -5.678 1.062 1.00 1.00 H new ATOM 0 HZ PHE A 115 -3.206 -6.674 2.386 1.00 1.00 H new ATOM 1787 N GLN A 116 -5.598 -8.327 -5.074 1.00 1.00 N ATOM 1788 CA GLN A 116 -6.123 -8.261 -6.438 1.00 1.00 C ATOM 1789 C GLN A 116 -6.447 -6.807 -6.791 1.00 1.00 C ATOM 1790 O GLN A 116 -7.574 -6.351 -6.591 1.00 1.00 O ATOM 1791 CB GLN A 116 -7.393 -9.107 -6.540 1.00 1.00 C ATOM 1792 CG GLN A 116 -7.810 -9.236 -8.006 1.00 1.00 C ATOM 1793 CD GLN A 116 -6.870 -10.179 -8.744 1.00 1.00 C ATOM 1794 OE1 GLN A 116 -6.055 -9.695 -9.636 1.00 1.00 O flip ATOM 1795 NE2 GLN A 116 -6.862 -11.384 -8.487 1.00 1.00 N flip ATOM 0 H GLN A 116 -6.295 -8.142 -4.353 1.00 1.00 H new ATOM 0 HA GLN A 116 -5.376 -8.645 -7.132 1.00 1.00 H new ATOM 0 HB2 GLN A 116 -7.219 -10.095 -6.113 1.00 1.00 H new ATOM 0 HB3 GLN A 116 -8.195 -8.647 -5.963 1.00 1.00 H new ATOM 0 HG2 GLN A 116 -8.832 -9.609 -8.068 1.00 1.00 H new ATOM 0 HG3 GLN A 116 -7.799 -8.255 -8.482 1.00 1.00 H new ATOM 0 HE21 GLN A 116 -7.502 -11.761 -7.787 1.00 1.00 H new ATOM 0 HE22 GLN A 116 -6.216 -12.005 -8.974 1.00 1.00 H new ATOM 1804 N LEU A 117 -5.450 -6.087 -7.303 1.00 1.00 N ATOM 1805 CA LEU A 117 -5.620 -4.678 -7.671 1.00 1.00 C ATOM 1806 C LEU A 117 -6.074 -4.562 -9.132 1.00 1.00 C ATOM 1807 O LEU A 117 -5.847 -5.475 -9.924 1.00 1.00 O ATOM 1808 CB LEU A 117 -4.268 -3.964 -7.459 1.00 1.00 C ATOM 1809 CG LEU A 117 -4.038 -3.703 -5.953 1.00 1.00 C ATOM 1810 CD1 LEU A 117 -2.536 -3.671 -5.648 1.00 1.00 C ATOM 1811 CD2 LEU A 117 -4.647 -2.357 -5.553 1.00 1.00 C ATOM 0 H LEU A 117 -4.514 -6.455 -7.473 1.00 1.00 H new ATOM 0 HA LEU A 117 -6.386 -4.213 -7.050 1.00 1.00 H new ATOM 0 HB2 LEU A 117 -3.458 -4.575 -7.858 1.00 1.00 H new ATOM 0 HB3 LEU A 117 -4.256 -3.021 -8.006 1.00 1.00 H new ATOM 0 HG LEU A 117 -4.513 -4.506 -5.389 1.00 1.00 H new ATOM 0 HD11 LEU A 117 -2.385 -3.486 -4.584 1.00 1.00 H new ATOM 0 HD12 LEU A 117 -2.090 -4.628 -5.917 1.00 1.00 H new ATOM 0 HD13 LEU A 117 -2.064 -2.875 -6.225 1.00 1.00 H new ATOM 0 HD21 LEU A 117 -4.479 -2.183 -4.490 1.00 1.00 H new ATOM 0 HD22 LEU A 117 -4.178 -1.560 -6.130 1.00 1.00 H new ATOM 0 HD23 LEU A 117 -5.718 -2.368 -5.754 1.00 1.00 H new ATOM 1823 N PRO A 118 -6.711 -3.477 -9.514 1.00 1.00 N ATOM 1824 CA PRO A 118 -7.176 -3.286 -10.924 1.00 1.00 C ATOM 1825 C PRO A 118 -6.005 -3.029 -11.874 1.00 1.00 C ATOM 1826 O PRO A 118 -5.227 -2.097 -11.685 1.00 1.00 O ATOM 1827 CB PRO A 118 -8.109 -2.074 -10.839 1.00 1.00 C ATOM 1828 CG PRO A 118 -7.608 -1.298 -9.668 1.00 1.00 C ATOM 1829 CD PRO A 118 -7.073 -2.326 -8.666 1.00 1.00 C ATOM 0 HA PRO A 118 -7.673 -4.170 -11.324 1.00 1.00 H new ATOM 0 HB2 PRO A 118 -8.073 -1.481 -11.753 1.00 1.00 H new ATOM 0 HB3 PRO A 118 -9.146 -2.380 -10.698 1.00 1.00 H new ATOM 0 HG2 PRO A 118 -6.823 -0.604 -9.969 1.00 1.00 H new ATOM 0 HG3 PRO A 118 -8.407 -0.703 -9.225 1.00 1.00 H new ATOM 0 HD2 PRO A 118 -6.211 -1.943 -8.120 1.00 1.00 H new ATOM 0 HD3 PRO A 118 -7.826 -2.594 -7.925 1.00 1.00 H new ATOM 1837 N PHE A 119 -5.870 -3.891 -12.870 1.00 1.00 N ATOM 1838 CA PHE A 119 -4.784 -3.828 -13.850 1.00 1.00 C ATOM 1839 C PHE A 119 -4.509 -2.436 -14.393 1.00 1.00 C ATOM 1840 O PHE A 119 -5.416 -1.632 -14.606 1.00 1.00 O ATOM 1841 CB PHE A 119 -5.139 -4.742 -15.023 1.00 1.00 C ATOM 1842 CG PHE A 119 -4.012 -4.751 -16.029 1.00 1.00 C ATOM 1843 CD1 PHE A 119 -2.805 -5.382 -15.709 1.00 1.00 C ATOM 1844 CD2 PHE A 119 -4.176 -4.145 -17.282 1.00 1.00 C ATOM 1845 CE1 PHE A 119 -1.761 -5.408 -16.639 1.00 1.00 C ATOM 1846 CE2 PHE A 119 -3.129 -4.171 -18.212 1.00 1.00 C ATOM 1847 CZ PHE A 119 -1.922 -4.802 -17.890 1.00 1.00 C ATOM 0 H PHE A 119 -6.516 -4.665 -13.027 1.00 1.00 H new ATOM 0 HA PHE A 119 -3.879 -4.142 -13.330 1.00 1.00 H new ATOM 0 HB2 PHE A 119 -5.325 -5.754 -14.663 1.00 1.00 H new ATOM 0 HB3 PHE A 119 -6.058 -4.399 -15.497 1.00 1.00 H new ATOM 0 HD1 PHE A 119 -2.680 -5.849 -14.743 1.00 1.00 H new ATOM 0 HD2 PHE A 119 -5.108 -3.659 -17.530 1.00 1.00 H new ATOM 0 HE1 PHE A 119 -0.830 -5.896 -16.392 1.00 1.00 H new ATOM 0 HE2 PHE A 119 -3.253 -3.704 -19.178 1.00 1.00 H new ATOM 0 HZ PHE A 119 -1.115 -4.821 -18.607 1.00 1.00 H new ATOM 1857 N GLY A 120 -3.221 -2.183 -14.631 1.00 1.00 N ATOM 1858 CA GLY A 120 -2.769 -0.911 -15.174 1.00 1.00 C ATOM 1859 C GLY A 120 -3.566 0.252 -14.604 1.00 1.00 C ATOM 1860 O GLY A 120 -3.827 0.308 -13.404 1.00 1.00 O ATOM 0 H GLY A 120 -2.471 -2.851 -14.453 1.00 1.00 H new ATOM 0 HA2 GLY A 120 -1.711 -0.773 -14.950 1.00 1.00 H new ATOM 0 HA3 GLY A 120 -2.866 -0.923 -16.260 1.00 1.00 H new ATOM 1864 N SER A 121 -3.952 1.176 -15.475 1.00 1.00 N ATOM 1865 CA SER A 121 -4.722 2.331 -15.047 1.00 1.00 C ATOM 1866 C SER A 121 -3.981 3.083 -13.941 1.00 1.00 C ATOM 1867 O SER A 121 -2.895 3.616 -14.162 1.00 1.00 O ATOM 1868 CB SER A 121 -6.092 1.870 -14.540 1.00 1.00 C ATOM 1869 OG SER A 121 -6.896 3.005 -14.254 1.00 1.00 O ATOM 0 H SER A 121 -3.745 1.147 -16.473 1.00 1.00 H new ATOM 0 HA SER A 121 -4.856 3.004 -15.894 1.00 1.00 H new ATOM 0 HB2 SER A 121 -6.578 1.246 -15.290 1.00 1.00 H new ATOM 0 HB3 SER A 121 -5.974 1.259 -13.645 1.00 1.00 H new ATOM 0 HG SER A 121 -7.773 2.711 -13.931 1.00 1.00 H new ATOM 1875 N HIS A 122 -4.578 3.125 -12.755 1.00 1.00 N ATOM 1876 CA HIS A 122 -3.976 3.818 -11.616 1.00 1.00 C ATOM 1877 C HIS A 122 -3.026 2.897 -10.844 1.00 1.00 C ATOM 1878 O HIS A 122 -2.309 3.348 -9.952 1.00 1.00 O ATOM 1879 CB HIS A 122 -5.078 4.324 -10.679 1.00 1.00 C ATOM 1880 CG HIS A 122 -4.503 5.317 -9.703 1.00 1.00 C ATOM 1881 ND1 HIS A 122 -3.867 6.480 -10.116 1.00 1.00 N ATOM 1882 CD2 HIS A 122 -4.471 5.341 -8.332 1.00 1.00 C ATOM 1883 CE1 HIS A 122 -3.483 7.146 -9.012 1.00 1.00 C ATOM 1884 NE2 HIS A 122 -3.827 6.496 -7.896 1.00 1.00 N ATOM 0 H HIS A 122 -5.478 2.688 -12.555 1.00 1.00 H new ATOM 0 HA HIS A 122 -3.399 4.660 -11.997 1.00 1.00 H new ATOM 0 HB2 HIS A 122 -5.875 4.790 -11.259 1.00 1.00 H new ATOM 0 HB3 HIS A 122 -5.523 3.487 -10.141 1.00 1.00 H new ATOM 0 HD2 HIS A 122 -4.883 4.579 -7.688 1.00 1.00 H new ATOM 0 HE1 HIS A 122 -2.960 8.091 -9.026 1.00 1.00 H new ATOM 0 HE2 HIS A 122 -3.655 6.784 -6.933 1.00 1.00 H new ATOM 1892 N THR A 123 -3.026 1.609 -11.183 1.00 1.00 N ATOM 1893 CA THR A 123 -2.163 0.647 -10.502 1.00 1.00 C ATOM 1894 C THR A 123 -0.727 0.727 -11.004 1.00 1.00 C ATOM 1895 O THR A 123 0.213 0.538 -10.235 1.00 1.00 O ATOM 1896 CB THR A 123 -2.683 -0.775 -10.711 1.00 1.00 C ATOM 1897 OG1 THR A 123 -3.965 -0.901 -10.121 1.00 1.00 O ATOM 1898 CG2 THR A 123 -1.726 -1.775 -10.062 1.00 1.00 C ATOM 0 H THR A 123 -3.609 1.210 -11.919 1.00 1.00 H new ATOM 0 HA THR A 123 -2.176 0.897 -9.441 1.00 1.00 H new ATOM 0 HB THR A 123 -2.750 -0.980 -11.780 1.00 1.00 H new ATOM 0 HG1 THR A 123 -4.627 -1.096 -10.816 1.00 1.00 H new ATOM 0 HG21 THR A 123 -2.100 -2.788 -10.213 1.00 1.00 H new ATOM 0 HG22 THR A 123 -0.739 -1.681 -10.516 1.00 1.00 H new ATOM 0 HG23 THR A 123 -1.655 -1.570 -8.994 1.00 1.00 H new ATOM 1906 N ARG A 124 -0.557 0.979 -12.296 1.00 1.00 N ATOM 1907 CA ARG A 124 0.778 1.044 -12.881 1.00 1.00 C ATOM 1908 C ARG A 124 1.636 2.074 -12.166 1.00 1.00 C ATOM 1909 O ARG A 124 2.810 1.834 -11.890 1.00 1.00 O ATOM 1910 CB ARG A 124 0.672 1.414 -14.364 1.00 1.00 C ATOM 1911 CG ARG A 124 2.056 1.382 -15.011 1.00 1.00 C ATOM 1912 CD ARG A 124 1.940 1.825 -16.468 1.00 1.00 C ATOM 1913 NE ARG A 124 1.143 0.867 -17.224 1.00 1.00 N ATOM 1914 CZ ARG A 124 1.684 -0.246 -17.714 1.00 1.00 C ATOM 1915 NH1 ARG A 124 2.948 -0.499 -17.512 1.00 1.00 N ATOM 1916 NH2 ARG A 124 0.950 -1.083 -18.394 1.00 1.00 N ATOM 0 H ARG A 124 -1.319 1.141 -12.954 1.00 1.00 H new ATOM 0 HA ARG A 124 1.247 0.066 -12.773 1.00 1.00 H new ATOM 0 HB2 ARG A 124 0.007 0.718 -14.874 1.00 1.00 H new ATOM 0 HB3 ARG A 124 0.235 2.407 -14.469 1.00 1.00 H new ATOM 0 HG2 ARG A 124 2.738 2.040 -14.472 1.00 1.00 H new ATOM 0 HG3 ARG A 124 2.473 0.376 -14.956 1.00 1.00 H new ATOM 0 HD2 ARG A 124 1.481 2.812 -16.520 1.00 1.00 H new ATOM 0 HD3 ARG A 124 2.933 1.912 -16.909 1.00 1.00 H new ATOM 0 HE ARG A 124 0.152 1.053 -17.380 1.00 1.00 H new ATOM 0 HH11 ARG A 124 3.520 0.156 -16.979 1.00 1.00 H new ATOM 0 HH12 ARG A 124 3.364 -1.352 -17.887 1.00 1.00 H new ATOM 0 HH21 ARG A 124 -0.038 -0.884 -18.550 1.00 1.00 H new ATOM 0 HH22 ARG A 124 1.364 -1.936 -18.770 1.00 1.00 H new ATOM 1930 N THR A 125 1.048 3.219 -11.883 1.00 1.00 N ATOM 1931 CA THR A 125 1.771 4.281 -11.212 1.00 1.00 C ATOM 1932 C THR A 125 2.315 3.772 -9.885 1.00 1.00 C ATOM 1933 O THR A 125 3.457 4.050 -9.520 1.00 1.00 O ATOM 1934 CB THR A 125 0.842 5.470 -10.965 1.00 1.00 C ATOM 1935 OG1 THR A 125 0.110 5.757 -12.148 1.00 1.00 O ATOM 1936 CG2 THR A 125 1.672 6.688 -10.574 1.00 1.00 C ATOM 0 H THR A 125 0.077 3.438 -12.106 1.00 1.00 H new ATOM 0 HA THR A 125 2.600 4.601 -11.843 1.00 1.00 H new ATOM 0 HB THR A 125 0.148 5.227 -10.160 1.00 1.00 H new ATOM 0 HG1 THR A 125 -0.486 6.518 -11.987 1.00 1.00 H new ATOM 0 HG21 THR A 125 1.012 7.537 -10.397 1.00 1.00 H new ATOM 0 HG22 THR A 125 2.233 6.470 -9.665 1.00 1.00 H new ATOM 0 HG23 THR A 125 2.366 6.929 -11.379 1.00 1.00 H new ATOM 1944 N PHE A 126 1.486 3.029 -9.164 1.00 1.00 N ATOM 1945 CA PHE A 126 1.896 2.493 -7.875 1.00 1.00 C ATOM 1946 C PHE A 126 3.163 1.654 -8.017 1.00 1.00 C ATOM 1947 O PHE A 126 4.118 1.838 -7.262 1.00 1.00 O ATOM 1948 CB PHE A 126 0.773 1.633 -7.292 1.00 1.00 C ATOM 1949 CG PHE A 126 1.164 1.163 -5.912 1.00 1.00 C ATOM 1950 CD1 PHE A 126 1.074 2.039 -4.826 1.00 1.00 C ATOM 1951 CD2 PHE A 126 1.613 -0.149 -5.717 1.00 1.00 C ATOM 1952 CE1 PHE A 126 1.431 1.606 -3.547 1.00 1.00 C ATOM 1953 CE2 PHE A 126 1.971 -0.583 -4.436 1.00 1.00 C ATOM 1954 CZ PHE A 126 1.880 0.295 -3.350 1.00 1.00 C ATOM 0 H PHE A 126 0.536 2.786 -9.446 1.00 1.00 H new ATOM 0 HA PHE A 126 2.104 3.327 -7.204 1.00 1.00 H new ATOM 0 HB2 PHE A 126 -0.152 2.208 -7.244 1.00 1.00 H new ATOM 0 HB3 PHE A 126 0.583 0.777 -7.939 1.00 1.00 H new ATOM 0 HD1 PHE A 126 0.728 3.051 -4.976 1.00 1.00 H new ATOM 0 HD2 PHE A 126 1.683 -0.826 -6.556 1.00 1.00 H new ATOM 0 HE1 PHE A 126 1.361 2.284 -2.709 1.00 1.00 H new ATOM 0 HE2 PHE A 126 2.317 -1.595 -4.285 1.00 1.00 H new ATOM 0 HZ PHE A 126 2.156 -0.039 -2.361 1.00 1.00 H new ATOM 1964 N LEU A 127 3.161 0.707 -8.954 1.00 1.00 N ATOM 1965 CA LEU A 127 4.314 -0.176 -9.125 1.00 1.00 C ATOM 1966 C LEU A 127 5.605 0.619 -9.237 1.00 1.00 C ATOM 1967 O LEU A 127 6.575 0.332 -8.535 1.00 1.00 O ATOM 1968 CB LEU A 127 4.169 -0.994 -10.414 1.00 1.00 C ATOM 1969 CG LEU A 127 2.795 -1.657 -10.473 1.00 1.00 C ATOM 1970 CD1 LEU A 127 2.678 -2.442 -11.780 1.00 1.00 C ATOM 1971 CD2 LEU A 127 2.626 -2.609 -9.283 1.00 1.00 C ATOM 0 H LEU A 127 2.388 0.533 -9.596 1.00 1.00 H new ATOM 0 HA LEU A 127 4.351 -0.826 -8.251 1.00 1.00 H new ATOM 0 HB2 LEU A 127 4.305 -0.346 -11.280 1.00 1.00 H new ATOM 0 HB3 LEU A 127 4.949 -1.754 -10.459 1.00 1.00 H new ATOM 0 HG LEU A 127 2.018 -0.894 -10.429 1.00 1.00 H new ATOM 0 HD11 LEU A 127 1.699 -2.919 -11.831 1.00 1.00 H new ATOM 0 HD12 LEU A 127 2.795 -1.763 -12.624 1.00 1.00 H new ATOM 0 HD13 LEU A 127 3.456 -3.204 -11.817 1.00 1.00 H new ATOM 0 HD21 LEU A 127 1.644 -3.079 -9.330 1.00 1.00 H new ATOM 0 HD22 LEU A 127 3.398 -3.377 -9.319 1.00 1.00 H new ATOM 0 HD23 LEU A 127 2.715 -2.048 -8.353 1.00 1.00 H new ATOM 1983 N GLN A 128 5.633 1.594 -10.136 1.00 1.00 N ATOM 1984 CA GLN A 128 6.831 2.393 -10.350 1.00 1.00 C ATOM 1985 C GLN A 128 7.264 3.136 -9.088 1.00 1.00 C ATOM 1986 O GLN A 128 8.455 3.208 -8.783 1.00 1.00 O ATOM 1987 CB GLN A 128 6.547 3.384 -11.468 1.00 1.00 C ATOM 1988 CG GLN A 128 6.370 2.605 -12.769 1.00 1.00 C ATOM 1989 CD GLN A 128 5.870 3.532 -13.854 1.00 1.00 C ATOM 1990 OE1 GLN A 128 4.590 3.682 -14.002 1.00 1.00 O flip ATOM 1991 NE2 GLN A 128 6.660 4.140 -14.577 1.00 1.00 N flip ATOM 0 H GLN A 128 4.842 1.850 -10.727 1.00 1.00 H new ATOM 0 HA GLN A 128 7.651 1.727 -10.619 1.00 1.00 H new ATOM 0 HB2 GLN A 128 5.649 3.960 -11.245 1.00 1.00 H new ATOM 0 HB3 GLN A 128 7.367 4.096 -11.561 1.00 1.00 H new ATOM 0 HG2 GLN A 128 7.318 2.157 -13.068 1.00 1.00 H new ATOM 0 HG3 GLN A 128 5.664 1.788 -12.622 1.00 1.00 H new ATOM 0 HE21 GLN A 128 7.665 4.015 -14.453 1.00 1.00 H new ATOM 0 HE22 GLN A 128 6.310 4.768 -15.300 1.00 1.00 H new ATOM 2000 N GLU A 129 6.303 3.699 -8.363 1.00 1.00 N ATOM 2001 CA GLU A 129 6.626 4.444 -7.149 1.00 1.00 C ATOM 2002 C GLU A 129 7.304 3.549 -6.118 1.00 1.00 C ATOM 2003 O GLU A 129 8.251 3.969 -5.454 1.00 1.00 O ATOM 2004 CB GLU A 129 5.357 5.041 -6.535 1.00 1.00 C ATOM 2005 CG GLU A 129 4.794 6.134 -7.449 1.00 1.00 C ATOM 2006 CD GLU A 129 5.750 7.320 -7.498 1.00 1.00 C ATOM 2007 OE1 GLU A 129 6.548 7.450 -6.584 1.00 1.00 O ATOM 2008 OE2 GLU A 129 5.675 8.076 -8.451 1.00 1.00 O ATOM 0 H GLU A 129 5.309 3.656 -8.589 1.00 1.00 H new ATOM 0 HA GLU A 129 7.311 5.245 -7.428 1.00 1.00 H new ATOM 0 HB2 GLU A 129 4.612 4.259 -6.389 1.00 1.00 H new ATOM 0 HB3 GLU A 129 5.580 5.457 -5.552 1.00 1.00 H new ATOM 0 HG2 GLU A 129 4.643 5.737 -8.453 1.00 1.00 H new ATOM 0 HG3 GLU A 129 3.819 6.458 -7.084 1.00 1.00 H new ATOM 2015 N VAL A 130 6.827 2.319 -5.984 1.00 1.00 N ATOM 2016 CA VAL A 130 7.416 1.391 -5.026 1.00 1.00 C ATOM 2017 C VAL A 130 8.851 1.044 -5.435 1.00 1.00 C ATOM 2018 O VAL A 130 9.762 1.045 -4.613 1.00 1.00 O ATOM 2019 CB VAL A 130 6.562 0.121 -4.947 1.00 1.00 C ATOM 2020 CG1 VAL A 130 7.258 -0.924 -4.071 1.00 1.00 C ATOM 2021 CG2 VAL A 130 5.196 0.471 -4.345 1.00 1.00 C ATOM 0 H VAL A 130 6.044 1.943 -6.519 1.00 1.00 H new ATOM 0 HA VAL A 130 7.444 1.863 -4.044 1.00 1.00 H new ATOM 0 HB VAL A 130 6.429 -0.289 -5.948 1.00 1.00 H new ATOM 0 HG11 VAL A 130 6.644 -1.823 -4.020 1.00 1.00 H new ATOM 0 HG12 VAL A 130 8.229 -1.171 -4.501 1.00 1.00 H new ATOM 0 HG13 VAL A 130 7.397 -0.523 -3.067 1.00 1.00 H new ATOM 0 HG21 VAL A 130 4.583 -0.428 -4.286 1.00 1.00 H new ATOM 0 HG22 VAL A 130 5.334 0.883 -3.345 1.00 1.00 H new ATOM 0 HG23 VAL A 130 4.699 1.208 -4.975 1.00 1.00 H new ATOM 2031 N ALA A 131 9.027 0.724 -6.711 1.00 1.00 N ATOM 2032 CA ALA A 131 10.342 0.346 -7.230 1.00 1.00 C ATOM 2033 C ALA A 131 11.380 1.459 -7.053 1.00 1.00 C ATOM 2034 O ALA A 131 12.470 1.222 -6.531 1.00 1.00 O ATOM 2035 CB ALA A 131 10.231 -0.002 -8.714 1.00 1.00 C ATOM 0 H ALA A 131 8.280 0.718 -7.406 1.00 1.00 H new ATOM 0 HA ALA A 131 10.678 -0.519 -6.658 1.00 1.00 H new ATOM 0 HB1 ALA A 131 11.212 -0.283 -9.096 1.00 1.00 H new ATOM 0 HB2 ALA A 131 9.540 -0.835 -8.842 1.00 1.00 H new ATOM 0 HB3 ALA A 131 9.861 0.863 -9.264 1.00 1.00 H new ATOM 2041 N ARG A 132 11.042 2.667 -7.488 1.00 1.00 N ATOM 2042 CA ARG A 132 11.960 3.799 -7.375 1.00 1.00 C ATOM 2043 C ARG A 132 12.128 4.219 -5.915 1.00 1.00 C ATOM 2044 O ARG A 132 13.130 4.832 -5.546 1.00 1.00 O ATOM 2045 CB ARG A 132 11.439 4.978 -8.203 1.00 1.00 C ATOM 2046 CG ARG A 132 11.513 4.626 -9.691 1.00 1.00 C ATOM 2047 CD ARG A 132 10.888 5.752 -10.518 1.00 1.00 C ATOM 2048 NE ARG A 132 11.668 6.976 -10.382 1.00 1.00 N ATOM 2049 CZ ARG A 132 11.262 8.115 -10.932 1.00 1.00 C ATOM 2050 NH1 ARG A 132 10.148 8.151 -11.611 1.00 1.00 N ATOM 2051 NH2 ARG A 132 11.977 9.196 -10.793 1.00 1.00 N ATOM 0 H ARG A 132 10.145 2.890 -7.920 1.00 1.00 H new ATOM 0 HA ARG A 132 12.934 3.493 -7.758 1.00 1.00 H new ATOM 0 HB2 ARG A 132 10.411 5.207 -7.923 1.00 1.00 H new ATOM 0 HB3 ARG A 132 12.031 5.870 -7.999 1.00 1.00 H new ATOM 0 HG2 ARG A 132 12.551 4.476 -9.988 1.00 1.00 H new ATOM 0 HG3 ARG A 132 10.989 3.689 -9.880 1.00 1.00 H new ATOM 0 HD2 ARG A 132 10.840 5.458 -11.567 1.00 1.00 H new ATOM 0 HD3 ARG A 132 9.864 5.928 -10.189 1.00 1.00 H new ATOM 0 HE ARG A 132 12.541 6.958 -9.855 1.00 1.00 H new ATOM 0 HH11 ARG A 132 9.589 7.305 -11.719 1.00 1.00 H new ATOM 0 HH12 ARG A 132 9.836 9.026 -12.033 1.00 1.00 H new ATOM 0 HH21 ARG A 132 12.848 9.167 -10.262 1.00 1.00 H new ATOM 0 HH22 ARG A 132 11.666 10.071 -11.215 1.00 1.00 H new ATOM 2065 N ALA A 133 11.135 3.893 -5.096 1.00 1.00 N ATOM 2066 CA ALA A 133 11.168 4.244 -3.680 1.00 1.00 C ATOM 2067 C ALA A 133 12.267 3.482 -2.929 1.00 1.00 C ATOM 2068 O ALA A 133 12.710 3.922 -1.868 1.00 1.00 O ATOM 2069 CB ALA A 133 9.799 3.960 -3.050 1.00 1.00 C ATOM 0 H ALA A 133 10.298 3.387 -5.387 1.00 1.00 H new ATOM 0 HA ALA A 133 11.397 5.307 -3.599 1.00 1.00 H new ATOM 0 HB1 ALA A 133 9.824 4.222 -1.992 1.00 1.00 H new ATOM 0 HB2 ALA A 133 9.036 4.554 -3.553 1.00 1.00 H new ATOM 0 HB3 ALA A 133 9.562 2.901 -3.156 1.00 1.00 H new ATOM 2075 N CYS A 134 12.721 2.363 -3.494 1.00 1.00 N ATOM 2076 CA CYS A 134 13.788 1.573 -2.866 1.00 1.00 C ATOM 2077 C CYS A 134 13.950 0.200 -3.546 1.00 1.00 C ATOM 2078 O CYS A 134 14.980 -0.057 -4.171 1.00 1.00 O ATOM 2079 CB CYS A 134 13.525 1.445 -1.341 1.00 1.00 C ATOM 2080 SG CYS A 134 14.233 -0.088 -0.678 1.00 1.00 S ATOM 0 H CYS A 134 12.374 1.984 -4.375 1.00 1.00 H new ATOM 0 HA CYS A 134 14.735 2.095 -3.002 1.00 1.00 H new ATOM 0 HB2 CYS A 134 13.956 2.301 -0.822 1.00 1.00 H new ATOM 0 HB3 CYS A 134 12.452 1.464 -1.152 1.00 1.00 H new ATOM 0 HG CYS A 134 13.995 -0.159 0.598 1.00 1.00 H new ATOM 2086 N PRO A 135 12.977 -0.675 -3.454 1.00 1.00 N ATOM 2087 CA PRO A 135 13.051 -2.037 -4.084 1.00 1.00 C ATOM 2088 C PRO A 135 13.145 -1.980 -5.611 1.00 1.00 C ATOM 2089 O PRO A 135 12.438 -2.697 -6.318 1.00 1.00 O ATOM 2090 CB PRO A 135 11.746 -2.710 -3.615 1.00 1.00 C ATOM 2091 CG PRO A 135 10.821 -1.572 -3.349 1.00 1.00 C ATOM 2092 CD PRO A 135 11.701 -0.484 -2.747 1.00 1.00 C ATOM 0 HA PRO A 135 13.948 -2.582 -3.790 1.00 1.00 H new ATOM 0 HB2 PRO A 135 11.346 -3.378 -4.378 1.00 1.00 H new ATOM 0 HB3 PRO A 135 11.907 -3.310 -2.719 1.00 1.00 H new ATOM 0 HG2 PRO A 135 10.342 -1.230 -4.266 1.00 1.00 H new ATOM 0 HG3 PRO A 135 10.026 -1.862 -2.662 1.00 1.00 H new ATOM 0 HD2 PRO A 135 11.289 0.511 -2.916 1.00 1.00 H new ATOM 0 HD3 PRO A 135 11.813 -0.603 -1.669 1.00 1.00 H new ATOM 2232 N GLU A 145 15.318 1.652 7.571 1.00 1.00 N ATOM 2233 CA GLU A 145 15.412 2.764 8.509 1.00 1.00 C ATOM 2234 C GLU A 145 14.140 2.828 9.343 1.00 1.00 C ATOM 2235 O GLU A 145 14.179 2.639 10.561 1.00 1.00 O ATOM 2236 CB GLU A 145 15.619 4.087 7.762 1.00 1.00 C ATOM 2237 CG GLU A 145 15.836 5.216 8.775 1.00 1.00 C ATOM 2238 CD GLU A 145 16.210 6.506 8.055 1.00 1.00 C ATOM 2239 OE1 GLU A 145 16.097 6.539 6.841 1.00 1.00 O ATOM 2240 OE2 GLU A 145 16.612 7.440 8.728 1.00 1.00 O ATOM 0 HA GLU A 145 16.270 2.605 9.162 1.00 1.00 H new ATOM 0 HB2 GLU A 145 16.479 4.011 7.096 1.00 1.00 H new ATOM 0 HB3 GLU A 145 14.752 4.305 7.139 1.00 1.00 H new ATOM 0 HG2 GLU A 145 14.929 5.368 9.361 1.00 1.00 H new ATOM 0 HG3 GLU A 145 16.625 4.940 9.475 1.00 1.00 H new ATOM 2247 N PHE A 146 13.013 3.087 8.674 1.00 1.00 N ATOM 2248 CA PHE A 146 11.709 3.172 9.344 1.00 1.00 C ATOM 2249 C PHE A 146 11.814 3.972 10.651 1.00 1.00 C ATOM 2250 O PHE A 146 10.906 3.959 11.479 1.00 1.00 O ATOM 2251 CB PHE A 146 11.179 1.756 9.625 1.00 1.00 C ATOM 2252 CG PHE A 146 12.216 0.978 10.394 1.00 1.00 C ATOM 2253 CD1 PHE A 146 12.344 1.167 11.775 1.00 1.00 C ATOM 2254 CD2 PHE A 146 13.069 0.090 9.728 1.00 1.00 C ATOM 2255 CE1 PHE A 146 13.322 0.464 12.489 1.00 1.00 C ATOM 2256 CE2 PHE A 146 14.048 -0.605 10.444 1.00 1.00 C ATOM 2257 CZ PHE A 146 14.177 -0.420 11.819 1.00 1.00 C ATOM 0 H PHE A 146 12.976 3.242 7.667 1.00 1.00 H new ATOM 0 HA PHE A 146 11.013 3.693 8.687 1.00 1.00 H new ATOM 0 HB2 PHE A 146 10.251 1.809 10.195 1.00 1.00 H new ATOM 0 HB3 PHE A 146 10.949 1.249 8.688 1.00 1.00 H new ATOM 0 HD1 PHE A 146 11.689 1.855 12.289 1.00 1.00 H new ATOM 0 HD2 PHE A 146 12.971 -0.058 8.663 1.00 1.00 H new ATOM 0 HE1 PHE A 146 13.417 0.603 13.556 1.00 1.00 H new ATOM 0 HE2 PHE A 146 14.707 -1.288 9.929 1.00 1.00 H new ATOM 0 HZ PHE A 146 14.936 -0.958 12.368 1.00 1.00 H new ATOM 2267 N GLU A 147 12.951 4.627 10.836 1.00 1.00 N ATOM 2268 CA GLU A 147 13.225 5.397 12.042 1.00 1.00 C ATOM 2269 C GLU A 147 12.220 6.525 12.244 1.00 1.00 C ATOM 2270 O GLU A 147 12.011 6.980 13.367 1.00 1.00 O ATOM 2271 CB GLU A 147 14.635 5.978 11.946 1.00 1.00 C ATOM 2272 CG GLU A 147 15.045 6.569 13.293 1.00 1.00 C ATOM 2273 CD GLU A 147 16.484 7.070 13.223 1.00 1.00 C ATOM 2274 OE1 GLU A 147 17.171 6.706 12.282 1.00 1.00 O ATOM 2275 OE2 GLU A 147 16.877 7.808 14.110 1.00 1.00 O ATOM 0 H GLU A 147 13.710 4.640 10.155 1.00 1.00 H new ATOM 0 HA GLU A 147 13.140 4.728 12.899 1.00 1.00 H new ATOM 0 HB2 GLU A 147 15.339 5.200 11.651 1.00 1.00 H new ATOM 0 HB3 GLU A 147 14.669 6.748 11.175 1.00 1.00 H new ATOM 0 HG2 GLU A 147 14.378 7.389 13.559 1.00 1.00 H new ATOM 0 HG3 GLU A 147 14.951 5.815 14.075 1.00 1.00 H new ATOM 2282 N TRP A 148 11.603 6.982 11.155 1.00 1.00 N ATOM 2283 CA TRP A 148 10.623 8.068 11.244 1.00 1.00 C ATOM 2284 C TRP A 148 9.200 7.524 11.399 1.00 1.00 C ATOM 2285 O TRP A 148 8.292 8.264 11.771 1.00 1.00 O ATOM 2286 CB TRP A 148 10.722 8.976 10.015 1.00 1.00 C ATOM 2287 CG TRP A 148 10.454 8.194 8.777 1.00 1.00 C ATOM 2288 CD1 TRP A 148 11.362 7.429 8.131 1.00 1.00 C ATOM 2289 CD2 TRP A 148 9.219 8.098 8.013 1.00 1.00 C ATOM 2290 NE1 TRP A 148 10.760 6.861 7.024 1.00 1.00 N ATOM 2291 CE2 TRP A 148 9.440 7.243 6.908 1.00 1.00 C ATOM 2292 CE3 TRP A 148 7.939 8.657 8.174 1.00 1.00 C ATOM 2293 CZ2 TRP A 148 8.430 6.956 5.993 1.00 1.00 C ATOM 2294 CZ3 TRP A 148 6.917 8.368 7.253 1.00 1.00 C ATOM 2295 CH2 TRP A 148 7.163 7.518 6.165 1.00 1.00 C ATOM 0 H TRP A 148 11.760 6.625 10.213 1.00 1.00 H new ATOM 0 HA TRP A 148 10.852 8.655 12.133 1.00 1.00 H new ATOM 0 HB2 TRP A 148 10.007 9.794 10.099 1.00 1.00 H new ATOM 0 HB3 TRP A 148 11.714 9.424 9.963 1.00 1.00 H new ATOM 0 HD1 TRP A 148 12.390 7.285 8.431 1.00 1.00 H new ATOM 0 HE1 TRP A 148 11.234 6.236 6.372 1.00 1.00 H new ATOM 0 HE3 TRP A 148 7.740 9.312 9.009 1.00 1.00 H new ATOM 0 HZ2 TRP A 148 8.625 6.303 5.155 1.00 1.00 H new ATOM 0 HZ3 TRP A 148 5.937 8.803 7.384 1.00 1.00 H new ATOM 0 HH2 TRP A 148 6.374 7.298 5.461 1.00 1.00 H new ATOM 2306 N LEU A 149 9.007 6.230 11.132 1.00 1.00 N ATOM 2307 CA LEU A 149 7.684 5.618 11.275 1.00 1.00 C ATOM 2308 C LEU A 149 7.244 5.668 12.735 1.00 1.00 C ATOM 2309 O LEU A 149 6.062 5.859 13.028 1.00 1.00 O ATOM 2310 CB LEU A 149 7.695 4.159 10.770 1.00 1.00 C ATOM 2311 CG LEU A 149 7.393 4.102 9.264 1.00 1.00 C ATOM 2312 CD1 LEU A 149 8.256 5.120 8.503 1.00 1.00 C ATOM 2313 CD2 LEU A 149 7.681 2.686 8.751 1.00 1.00 C ATOM 0 H LEU A 149 9.740 5.593 10.820 1.00 1.00 H new ATOM 0 HA LEU A 149 6.975 6.181 10.668 1.00 1.00 H new ATOM 0 HB2 LEU A 149 8.667 3.708 10.968 1.00 1.00 H new ATOM 0 HB3 LEU A 149 6.955 3.574 11.317 1.00 1.00 H new ATOM 0 HG LEU A 149 6.345 4.350 9.098 1.00 1.00 H new ATOM 0 HD11 LEU A 149 8.029 5.066 7.438 1.00 1.00 H new ATOM 0 HD12 LEU A 149 8.042 6.124 8.869 1.00 1.00 H new ATOM 0 HD13 LEU A 149 9.310 4.893 8.661 1.00 1.00 H new ATOM 0 HD21 LEU A 149 7.469 2.636 7.683 1.00 1.00 H new ATOM 0 HD22 LEU A 149 8.729 2.442 8.925 1.00 1.00 H new ATOM 0 HD23 LEU A 149 7.050 1.972 9.280 1.00 1.00 H new ATOM 2325 N SER A 150 8.191 5.500 13.653 1.00 1.00 N ATOM 2326 CA SER A 150 7.868 5.537 15.074 1.00 1.00 C ATOM 2327 C SER A 150 6.965 6.729 15.375 1.00 1.00 C ATOM 2328 O SER A 150 6.205 6.718 16.343 1.00 1.00 O ATOM 2329 CB SER A 150 9.153 5.653 15.888 1.00 1.00 C ATOM 2330 OG SER A 150 9.785 6.889 15.582 1.00 1.00 O ATOM 0 H SER A 150 9.176 5.339 13.442 1.00 1.00 H new ATOM 0 HA SER A 150 7.347 4.618 15.343 1.00 1.00 H new ATOM 0 HB2 SER A 150 8.930 5.598 16.954 1.00 1.00 H new ATOM 0 HB3 SER A 150 9.820 4.822 15.659 1.00 1.00 H new ATOM 0 HG SER A 150 10.462 6.747 14.888 1.00 1.00 H new ATOM 2336 N ARG A 151 7.041 7.743 14.520 1.00 1.00 N ATOM 2337 CA ARG A 151 6.210 8.927 14.686 1.00 1.00 C ATOM 2338 C ARG A 151 4.755 8.531 14.546 1.00 1.00 C ATOM 2339 O ARG A 151 3.889 9.006 15.280 1.00 1.00 O ATOM 2340 CB ARG A 151 6.554 9.957 13.614 1.00 1.00 C ATOM 2341 CG ARG A 151 7.956 10.497 13.872 1.00 1.00 C ATOM 2342 CD ARG A 151 8.331 11.473 12.760 1.00 1.00 C ATOM 2343 NE ARG A 151 9.680 11.987 12.974 1.00 1.00 N ATOM 2344 CZ ARG A 151 9.903 13.022 13.776 1.00 1.00 C ATOM 2345 NH1 ARG A 151 8.905 13.600 14.385 1.00 1.00 N ATOM 2346 NH2 ARG A 151 11.120 13.462 13.954 1.00 1.00 N ATOM 0 H ARG A 151 7.664 7.769 13.713 1.00 1.00 H new ATOM 0 HA ARG A 151 6.388 9.360 15.670 1.00 1.00 H new ATOM 0 HB2 ARG A 151 6.503 9.502 12.625 1.00 1.00 H new ATOM 0 HB3 ARG A 151 5.829 10.771 13.628 1.00 1.00 H new ATOM 0 HG2 ARG A 151 7.993 10.998 14.839 1.00 1.00 H new ATOM 0 HG3 ARG A 151 8.673 9.677 13.910 1.00 1.00 H new ATOM 0 HD2 ARG A 151 8.274 10.973 11.793 1.00 1.00 H new ATOM 0 HD3 ARG A 151 7.619 12.298 12.735 1.00 1.00 H new ATOM 0 HE ARG A 151 10.466 11.543 12.499 1.00 1.00 H new ATOM 0 HH11 ARG A 151 7.955 13.257 14.245 1.00 1.00 H new ATOM 0 HH12 ARG A 151 9.075 14.395 15.001 1.00 1.00 H new ATOM 0 HH21 ARG A 151 11.900 13.011 13.477 1.00 1.00 H new ATOM 0 HH22 ARG A 151 11.290 14.257 14.570 1.00 1.00 H new ATOM 2360 N HIS A 152 4.505 7.639 13.597 1.00 1.00 N ATOM 2361 CA HIS A 152 3.164 7.149 13.352 1.00 1.00 C ATOM 2362 C HIS A 152 2.773 6.140 14.424 1.00 1.00 C ATOM 2363 O HIS A 152 3.597 5.341 14.870 1.00 1.00 O ATOM 2364 CB HIS A 152 3.098 6.490 11.972 1.00 1.00 C ATOM 2365 CG HIS A 152 3.194 7.544 10.903 1.00 1.00 C ATOM 2366 ND1 HIS A 152 2.076 8.202 10.414 1.00 1.00 N ATOM 2367 CD2 HIS A 152 4.264 8.067 10.217 1.00 1.00 C ATOM 2368 CE1 HIS A 152 2.492 9.072 9.477 1.00 1.00 C ATOM 2369 NE2 HIS A 152 3.818 9.030 9.317 1.00 1.00 N ATOM 0 H HIS A 152 5.218 7.242 12.985 1.00 1.00 H new ATOM 0 HA HIS A 152 2.468 7.988 13.384 1.00 1.00 H new ATOM 0 HB2 HIS A 152 3.910 5.771 11.862 1.00 1.00 H new ATOM 0 HB3 HIS A 152 2.165 5.935 11.867 1.00 1.00 H new ATOM 0 HD2 HIS A 152 5.294 7.775 10.355 1.00 1.00 H new ATOM 0 HE1 HIS A 152 1.835 9.725 8.922 1.00 1.00 H new ATOM 0 HE2 HIS A 152 4.382 9.585 8.673 1.00 1.00 H new ATOM 2377 N THR A 153 1.504 6.162 14.809 1.00 1.00 N ATOM 2378 CA THR A 153 0.983 5.229 15.810 1.00 1.00 C ATOM 2379 C THR A 153 -0.306 4.619 15.295 1.00 1.00 C ATOM 2380 O THR A 153 -0.886 3.724 15.910 1.00 1.00 O ATOM 2381 CB THR A 153 0.733 5.946 17.139 1.00 1.00 C ATOM 2382 OG1 THR A 153 -0.127 5.153 17.945 1.00 1.00 O ATOM 2383 CG2 THR A 153 0.086 7.310 16.892 1.00 1.00 C ATOM 0 H THR A 153 0.811 6.816 14.445 1.00 1.00 H new ATOM 0 HA THR A 153 1.718 4.443 15.983 1.00 1.00 H new ATOM 0 HB THR A 153 1.685 6.095 17.648 1.00 1.00 H new ATOM 0 HG1 THR A 153 -0.271 4.285 17.514 1.00 1.00 H new ATOM 0 HG21 THR A 153 -0.086 7.809 17.846 1.00 1.00 H new ATOM 0 HG22 THR A 153 0.747 7.920 16.277 1.00 1.00 H new ATOM 0 HG23 THR A 153 -0.865 7.174 16.377 1.00 1.00 H new ATOM 2391 N CYS A 154 -0.735 5.118 14.146 1.00 1.00 N ATOM 2392 CA CYS A 154 -1.953 4.638 13.510 1.00 1.00 C ATOM 2393 C CYS A 154 -3.159 4.893 14.406 1.00 1.00 C ATOM 2394 O CYS A 154 -3.019 5.068 15.616 1.00 1.00 O ATOM 2395 CB CYS A 154 -1.828 3.142 13.220 1.00 1.00 C ATOM 2396 SG CYS A 154 -0.201 2.803 12.501 1.00 1.00 S ATOM 0 H CYS A 154 -0.256 5.858 13.633 1.00 1.00 H new ATOM 0 HA CYS A 154 -2.096 5.178 12.574 1.00 1.00 H new ATOM 0 HB2 CYS A 154 -1.958 2.570 14.139 1.00 1.00 H new ATOM 0 HB3 CYS A 154 -2.614 2.826 12.534 1.00 1.00 H new ATOM 0 HG CYS A 154 -0.091 1.531 12.256 1.00 1.00 H new