USER MOD reduce.3.24.130724 H: found=0, std=0, add=837, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 835 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 64 ASN : amide:sc= -0.688! C(o=-2.2!,f=-11!) USER MOD Set 1.2: A 66 HIS :FLIP no HD1:sc= -1.47 F(o=-2.8!,f=-2.2) USER MOD Set 2.1: A 19 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 36 THR OG1 : rot -150:sc= 0 USER MOD Single : A 15 GLN :FLIP amide:sc= -0.0532 F(o=-2.3,f=-0.053) USER MOD Single : A 23 MET CE :methyl -153:sc= -0.178 (180deg=-1.06) USER MOD Single : A 25 MET CE :methyl -154:sc= -0.159 (180deg=-2.23) USER MOD Single : A 26 LYS NZ :NH3+ -117:sc= 0.875 (180deg=-0.0395) USER MOD Single : A 33 CYS SG : rot 165:sc= -0.955 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0.38) USER MOD Single : A 41 ASN : amide:sc= -0.068 K(o=-0.068,f=-1.8!) USER MOD Single : A 43 GLN : amide:sc= -0.0343 K(o=-0.034,f=-2!) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.809 X(o=-0.81,f=-0.76) USER MOD Single : A 51 HIS : no HD1:sc= -0.158 X(o=-0.16,f=-0.0053) USER MOD Single : A 53 LYS NZ :NH3+ 161:sc= -0.0458 (180deg=-0.434) USER MOD Single : A 55 GLN : amide:sc=-0.00759 K(o=-0.0076,f=-1.1) USER MOD Single : A 56 HIS :FLIP no HD1:sc= -3.99! C(o=-4.6!,f=-4!) USER MOD Single : A 58 GLN :FLIP amide:sc= -1.31 F(o=-2.2!,f=-1.3) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 69 CYS SG : rot 180:sc= -0.0449 USER MOD Single : A 71 GLN :FLIP amide:sc= -1.78! C(o=-4.5!,f=-1.8!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -4.15! X(o=-4.2!,f=-3.7) USER MOD Single : A 85 SER OG : rot -47:sc= 0.04 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 108 HIS :FLIP no HD1:sc= -0.15 F(o=-0.76,f=-0.15) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot -31:sc= 0.353 USER MOD Single : A 120 GLN : amide:sc= -1.27 K(o=-1.3,f=-2.4!) USER MOD Single : A 121 LYS NZ :NH3+ 164:sc= -0.0191 (180deg=-0.333) USER MOD Single : A 123 GLN : amide:sc= -0.221 X(o=-0.22,f=-0.56) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 107 N PRO A 9 -1.947 1.444 15.262 1.00 1.00 N ATOM 108 CA PRO A 9 -0.770 2.304 14.920 1.00 1.00 C ATOM 109 C PRO A 9 -1.099 3.325 13.828 1.00 1.00 C ATOM 110 O PRO A 9 -0.545 4.425 13.803 1.00 1.00 O ATOM 111 CB PRO A 9 0.294 1.296 14.446 1.00 1.00 C ATOM 112 CG PRO A 9 -0.476 0.083 14.026 1.00 1.00 C ATOM 113 CD PRO A 9 -1.698 0.028 14.940 1.00 1.00 C ATOM 0 HA PRO A 9 -0.438 2.904 15.767 1.00 1.00 H new ATOM 0 HB2 PRO A 9 0.877 1.699 13.618 1.00 1.00 H new ATOM 0 HB3 PRO A 9 0.997 1.060 15.245 1.00 1.00 H new ATOM 0 HG2 PRO A 9 -0.773 0.152 12.980 1.00 1.00 H new ATOM 0 HG3 PRO A 9 0.129 -0.818 14.127 1.00 1.00 H new ATOM 0 HD2 PRO A 9 -2.553 -0.427 14.440 1.00 1.00 H new ATOM 0 HD3 PRO A 9 -1.503 -0.560 15.837 1.00 1.00 H new ATOM 121 N LEU A 10 -2.004 2.946 12.933 1.00 1.00 N ATOM 122 CA LEU A 10 -2.409 3.829 11.843 1.00 1.00 C ATOM 123 C LEU A 10 -2.923 5.157 12.412 1.00 1.00 C ATOM 124 O LEU A 10 -3.538 5.172 13.479 1.00 1.00 O ATOM 125 CB LEU A 10 -3.522 3.158 11.029 1.00 1.00 C ATOM 126 CG LEU A 10 -3.014 1.837 10.414 1.00 1.00 C ATOM 127 CD1 LEU A 10 -4.203 0.918 10.105 1.00 1.00 C ATOM 128 CD2 LEU A 10 -2.245 2.120 9.115 1.00 1.00 C ATOM 0 H LEU A 10 -2.470 2.039 12.939 1.00 1.00 H new ATOM 0 HA LEU A 10 -1.550 4.022 11.200 1.00 1.00 H new ATOM 0 HB2 LEU A 10 -4.382 2.962 11.669 1.00 1.00 H new ATOM 0 HB3 LEU A 10 -3.859 3.829 10.239 1.00 1.00 H new ATOM 0 HG LEU A 10 -2.349 1.351 11.128 1.00 1.00 H new ATOM 0 HD11 LEU A 10 -3.840 -0.013 9.671 1.00 1.00 H new ATOM 0 HD12 LEU A 10 -4.745 0.702 11.026 1.00 1.00 H new ATOM 0 HD13 LEU A 10 -4.870 1.412 9.398 1.00 1.00 H new ATOM 0 HD21 LEU A 10 -1.891 1.181 8.690 1.00 1.00 H new ATOM 0 HD22 LEU A 10 -2.904 2.615 8.402 1.00 1.00 H new ATOM 0 HD23 LEU A 10 -1.393 2.765 9.330 1.00 1.00 H new ATOM 140 N PRO A 11 -2.698 6.265 11.741 1.00 1.00 N ATOM 141 CA PRO A 11 -3.170 7.591 12.235 1.00 1.00 C ATOM 142 C PRO A 11 -4.694 7.667 12.257 1.00 1.00 C ATOM 143 O PRO A 11 -5.369 7.134 11.377 1.00 1.00 O ATOM 144 CB PRO A 11 -2.554 8.600 11.250 1.00 1.00 C ATOM 145 CG PRO A 11 -2.295 7.816 10.004 1.00 1.00 C ATOM 146 CD PRO A 11 -1.989 6.385 10.455 1.00 1.00 C ATOM 0 HA PRO A 11 -2.867 7.788 13.263 1.00 1.00 H new ATOM 0 HB2 PRO A 11 -3.234 9.431 11.059 1.00 1.00 H new ATOM 0 HB3 PRO A 11 -1.633 9.026 11.647 1.00 1.00 H new ATOM 0 HG2 PRO A 11 -3.161 7.839 9.343 1.00 1.00 H new ATOM 0 HG3 PRO A 11 -1.458 8.236 9.447 1.00 1.00 H new ATOM 0 HD2 PRO A 11 -2.346 5.652 9.731 1.00 1.00 H new ATOM 0 HD3 PRO A 11 -0.918 6.222 10.572 1.00 1.00 H new ATOM 154 N VAL A 12 -5.221 8.323 13.279 1.00 1.00 N ATOM 155 CA VAL A 12 -6.663 8.462 13.434 1.00 1.00 C ATOM 156 C VAL A 12 -7.251 9.349 12.340 1.00 1.00 C ATOM 157 O VAL A 12 -8.309 9.048 11.789 1.00 1.00 O ATOM 158 CB VAL A 12 -6.982 9.052 14.810 1.00 1.00 C ATOM 159 CG1 VAL A 12 -8.483 9.321 14.922 1.00 1.00 C ATOM 160 CG2 VAL A 12 -6.562 8.058 15.898 1.00 1.00 C ATOM 0 H VAL A 12 -4.672 8.768 14.015 1.00 1.00 H new ATOM 0 HA VAL A 12 -7.113 7.473 13.348 1.00 1.00 H new ATOM 0 HB VAL A 12 -6.438 9.988 14.936 1.00 1.00 H new ATOM 0 HG11 VAL A 12 -8.705 9.741 15.903 1.00 1.00 H new ATOM 0 HG12 VAL A 12 -8.785 10.027 14.148 1.00 1.00 H new ATOM 0 HG13 VAL A 12 -9.031 8.387 14.795 1.00 1.00 H new ATOM 0 HG21 VAL A 12 -6.788 8.476 16.879 1.00 1.00 H new ATOM 0 HG22 VAL A 12 -7.107 7.123 15.767 1.00 1.00 H new ATOM 0 HG23 VAL A 12 -5.491 7.867 15.823 1.00 1.00 H new ATOM 170 N GLY A 13 -6.570 10.447 12.043 1.00 1.00 N ATOM 171 CA GLY A 13 -7.046 11.376 11.028 1.00 1.00 C ATOM 172 C GLY A 13 -7.355 10.651 9.721 1.00 1.00 C ATOM 173 O GLY A 13 -8.325 10.978 9.037 1.00 1.00 O ATOM 0 H GLY A 13 -5.692 10.715 12.487 1.00 1.00 H new ATOM 0 HA2 GLY A 13 -7.942 11.883 11.386 1.00 1.00 H new ATOM 0 HA3 GLY A 13 -6.293 12.144 10.852 1.00 1.00 H new ATOM 177 N ALA A 14 -6.528 9.675 9.381 1.00 1.00 N ATOM 178 CA ALA A 14 -6.727 8.916 8.152 1.00 1.00 C ATOM 179 C ALA A 14 -7.915 7.968 8.281 1.00 1.00 C ATOM 180 O ALA A 14 -8.175 7.423 9.353 1.00 1.00 O ATOM 181 CB ALA A 14 -5.471 8.109 7.822 1.00 1.00 C ATOM 0 H ALA A 14 -5.718 9.390 9.932 1.00 1.00 H new ATOM 0 HA ALA A 14 -6.929 9.625 7.349 1.00 1.00 H new ATOM 0 HB1 ALA A 14 -5.631 7.546 6.902 1.00 1.00 H new ATOM 0 HB2 ALA A 14 -4.627 8.787 7.690 1.00 1.00 H new ATOM 0 HB3 ALA A 14 -5.258 7.418 8.638 1.00 1.00 H new ATOM 187 N GLN A 15 -8.622 7.766 7.170 1.00 1.00 N ATOM 188 CA GLN A 15 -9.777 6.865 7.137 1.00 1.00 C ATOM 189 C GLN A 15 -9.371 5.550 6.472 1.00 1.00 C ATOM 190 O GLN A 15 -9.628 5.374 5.285 1.00 1.00 O ATOM 191 CB GLN A 15 -10.905 7.499 6.319 1.00 1.00 C ATOM 192 CG GLN A 15 -11.261 8.877 6.891 1.00 1.00 C ATOM 193 CD GLN A 15 -12.223 8.732 8.067 1.00 1.00 C ATOM 194 OE1 GLN A 15 -12.410 7.558 8.609 1.00 1.00 O flip ATOM 195 NE2 GLN A 15 -12.820 9.714 8.507 1.00 1.00 N flip ATOM 0 H GLN A 15 -8.416 8.215 6.278 1.00 1.00 H new ATOM 0 HA GLN A 15 -10.118 6.683 8.156 1.00 1.00 H new ATOM 0 HB2 GLN A 15 -10.599 7.597 5.278 1.00 1.00 H new ATOM 0 HB3 GLN A 15 -11.783 6.853 6.334 1.00 1.00 H new ATOM 0 HG2 GLN A 15 -10.355 9.389 7.215 1.00 1.00 H new ATOM 0 HG3 GLN A 15 -11.715 9.494 6.115 1.00 1.00 H new ATOM 0 HE21 GLN A 15 -12.675 10.631 8.084 1.00 1.00 H new ATOM 0 HE22 GLN A 15 -13.460 9.611 9.294 1.00 1.00 H new ATOM 204 N PRO A 16 -8.721 4.642 7.178 1.00 1.00 N ATOM 205 CA PRO A 16 -8.254 3.357 6.572 1.00 1.00 C ATOM 206 C PRO A 16 -9.396 2.526 5.992 1.00 1.00 C ATOM 207 O PRO A 16 -10.100 1.820 6.713 1.00 1.00 O ATOM 208 CB PRO A 16 -7.553 2.638 7.742 1.00 1.00 C ATOM 209 CG PRO A 16 -8.133 3.258 8.968 1.00 1.00 C ATOM 210 CD PRO A 16 -8.369 4.718 8.611 1.00 1.00 C ATOM 0 HA PRO A 16 -7.595 3.522 5.719 1.00 1.00 H new ATOM 0 HB2 PRO A 16 -7.739 1.564 7.715 1.00 1.00 H new ATOM 0 HB3 PRO A 16 -6.473 2.776 7.701 1.00 1.00 H new ATOM 0 HG2 PRO A 16 -9.064 2.768 9.253 1.00 1.00 H new ATOM 0 HG3 PRO A 16 -7.452 3.166 9.814 1.00 1.00 H new ATOM 0 HD2 PRO A 16 -9.172 5.156 9.204 1.00 1.00 H new ATOM 0 HD3 PRO A 16 -7.480 5.326 8.779 1.00 1.00 H new ATOM 218 N LEU A 17 -9.559 2.611 4.674 1.00 1.00 N ATOM 219 CA LEU A 17 -10.603 1.858 3.986 1.00 1.00 C ATOM 220 C LEU A 17 -10.325 0.372 4.100 1.00 1.00 C ATOM 221 O LEU A 17 -11.228 -0.431 4.340 1.00 1.00 O ATOM 222 CB LEU A 17 -10.627 2.226 2.502 1.00 1.00 C ATOM 223 CG LEU A 17 -10.988 3.701 2.333 1.00 1.00 C ATOM 224 CD1 LEU A 17 -10.862 4.075 0.854 1.00 1.00 C ATOM 225 CD2 LEU A 17 -12.431 3.959 2.812 1.00 1.00 C ATOM 0 H LEU A 17 -8.984 3.191 4.064 1.00 1.00 H new ATOM 0 HA LEU A 17 -11.561 2.101 4.446 1.00 1.00 H new ATOM 0 HB2 LEU A 17 -9.653 2.028 2.054 1.00 1.00 H new ATOM 0 HB3 LEU A 17 -11.351 1.604 1.977 1.00 1.00 H new ATOM 0 HG LEU A 17 -10.310 4.309 2.932 1.00 1.00 H new ATOM 0 HD11 LEU A 17 -11.118 5.126 0.722 1.00 1.00 H new ATOM 0 HD12 LEU A 17 -9.838 3.906 0.522 1.00 1.00 H new ATOM 0 HD13 LEU A 17 -11.541 3.459 0.264 1.00 1.00 H new ATOM 0 HD21 LEU A 17 -12.673 5.014 2.685 1.00 1.00 H new ATOM 0 HD22 LEU A 17 -13.123 3.355 2.225 1.00 1.00 H new ATOM 0 HD23 LEU A 17 -12.518 3.691 3.865 1.00 1.00 H new ATOM 237 N ALA A 18 -9.058 0.019 3.909 1.00 1.00 N ATOM 238 CA ALA A 18 -8.635 -1.379 3.971 1.00 1.00 C ATOM 239 C ALA A 18 -7.207 -1.478 4.494 1.00 1.00 C ATOM 240 O ALA A 18 -6.418 -0.546 4.344 1.00 1.00 O ATOM 241 CB ALA A 18 -8.709 -2.002 2.575 1.00 1.00 C ATOM 0 H ALA A 18 -8.306 0.679 3.710 1.00 1.00 H new ATOM 0 HA ALA A 18 -9.299 -1.916 4.648 1.00 1.00 H new ATOM 0 HB1 ALA A 18 -8.393 -3.044 2.624 1.00 1.00 H new ATOM 0 HB2 ALA A 18 -9.734 -1.951 2.207 1.00 1.00 H new ATOM 0 HB3 ALA A 18 -8.053 -1.456 1.898 1.00 1.00 H new ATOM 247 N THR A 19 -6.878 -2.615 5.108 1.00 1.00 N ATOM 248 CA THR A 19 -5.534 -2.829 5.649 1.00 1.00 C ATOM 249 C THR A 19 -5.052 -4.240 5.345 1.00 1.00 C ATOM 250 O THR A 19 -5.802 -5.205 5.484 1.00 1.00 O ATOM 251 CB THR A 19 -5.532 -2.585 7.160 1.00 1.00 C ATOM 252 OG1 THR A 19 -4.310 -3.053 7.712 1.00 1.00 O ATOM 253 CG2 THR A 19 -6.703 -3.324 7.805 1.00 1.00 C ATOM 0 H THR A 19 -7.518 -3.397 5.243 1.00 1.00 H new ATOM 0 HA THR A 19 -4.853 -2.123 5.174 1.00 1.00 H new ATOM 0 HB THR A 19 -5.634 -1.517 7.354 1.00 1.00 H new ATOM 0 HG1 THR A 19 -4.307 -2.896 8.679 1.00 1.00 H new ATOM 0 HG21 THR A 19 -6.697 -3.147 8.881 1.00 1.00 H new ATOM 0 HG22 THR A 19 -7.640 -2.960 7.383 1.00 1.00 H new ATOM 0 HG23 THR A 19 -6.609 -4.393 7.613 1.00 1.00 H new ATOM 261 N VAL A 20 -3.795 -4.355 4.913 1.00 1.00 N ATOM 262 CA VAL A 20 -3.226 -5.659 4.574 1.00 1.00 C ATOM 263 C VAL A 20 -1.773 -5.757 5.011 1.00 1.00 C ATOM 264 O VAL A 20 -1.042 -4.766 5.012 1.00 1.00 O ATOM 265 CB VAL A 20 -3.311 -5.868 3.056 1.00 1.00 C ATOM 266 CG1 VAL A 20 -2.731 -4.637 2.342 1.00 1.00 C ATOM 267 CG2 VAL A 20 -2.527 -7.136 2.642 1.00 1.00 C ATOM 0 H VAL A 20 -3.157 -3.568 4.791 1.00 1.00 H new ATOM 0 HA VAL A 20 -3.795 -6.428 5.097 1.00 1.00 H new ATOM 0 HB VAL A 20 -4.355 -5.999 2.771 1.00 1.00 H new ATOM 0 HG11 VAL A 20 -2.789 -4.781 1.263 1.00 1.00 H new ATOM 0 HG12 VAL A 20 -3.302 -3.752 2.621 1.00 1.00 H new ATOM 0 HG13 VAL A 20 -1.689 -4.504 2.634 1.00 1.00 H new ATOM 0 HG21 VAL A 20 -2.597 -7.271 1.563 1.00 1.00 H new ATOM 0 HG22 VAL A 20 -1.481 -7.026 2.927 1.00 1.00 H new ATOM 0 HG23 VAL A 20 -2.950 -8.006 3.144 1.00 1.00 H new ATOM 277 N GLU A 21 -1.348 -6.970 5.350 1.00 1.00 N ATOM 278 CA GLU A 21 0.035 -7.209 5.748 1.00 1.00 C ATOM 279 C GLU A 21 0.771 -7.887 4.604 1.00 1.00 C ATOM 280 O GLU A 21 0.372 -8.957 4.145 1.00 1.00 O ATOM 281 CB GLU A 21 0.092 -8.098 6.992 1.00 1.00 C ATOM 282 CG GLU A 21 -0.452 -7.324 8.194 1.00 1.00 C ATOM 283 CD GLU A 21 -0.452 -8.211 9.434 1.00 1.00 C ATOM 284 OE1 GLU A 21 0.008 -9.336 9.335 1.00 1.00 O ATOM 285 OE2 GLU A 21 -0.907 -7.750 10.467 1.00 1.00 O ATOM 0 H GLU A 21 -1.940 -7.801 5.357 1.00 1.00 H new ATOM 0 HA GLU A 21 0.506 -6.255 5.983 1.00 1.00 H new ATOM 0 HB2 GLU A 21 -0.494 -9.003 6.833 1.00 1.00 H new ATOM 0 HB3 GLU A 21 1.118 -8.412 7.182 1.00 1.00 H new ATOM 0 HG2 GLU A 21 0.158 -6.438 8.372 1.00 1.00 H new ATOM 0 HG3 GLU A 21 -1.464 -6.978 7.985 1.00 1.00 H new ATOM 292 N GLY A 22 1.843 -7.254 4.135 1.00 1.00 N ATOM 293 CA GLY A 22 2.631 -7.797 3.030 1.00 1.00 C ATOM 294 C GLY A 22 4.108 -7.805 3.375 1.00 1.00 C ATOM 295 O GLY A 22 4.486 -7.702 4.543 1.00 1.00 O ATOM 0 H GLY A 22 2.186 -6.366 4.501 1.00 1.00 H new ATOM 0 HA2 GLY A 22 2.300 -8.811 2.805 1.00 1.00 H new ATOM 0 HA3 GLY A 22 2.466 -7.201 2.132 1.00 1.00 H new ATOM 299 N MET A 23 4.938 -7.938 2.349 1.00 1.00 N ATOM 300 CA MET A 23 6.389 -7.971 2.533 1.00 1.00 C ATOM 301 C MET A 23 7.064 -6.964 1.605 1.00 1.00 C ATOM 302 O MET A 23 6.772 -6.913 0.410 1.00 1.00 O ATOM 303 CB MET A 23 6.903 -9.376 2.217 1.00 1.00 C ATOM 304 CG MET A 23 6.116 -10.400 3.039 1.00 1.00 C ATOM 305 SD MET A 23 6.387 -10.105 4.804 1.00 1.00 S ATOM 306 CE MET A 23 8.130 -10.595 4.864 1.00 1.00 C ATOM 0 H MET A 23 4.635 -8.025 1.379 1.00 1.00 H new ATOM 0 HA MET A 23 6.623 -7.711 3.565 1.00 1.00 H new ATOM 0 HB2 MET A 23 6.793 -9.585 1.153 1.00 1.00 H new ATOM 0 HB3 MET A 23 7.966 -9.447 2.448 1.00 1.00 H new ATOM 0 HG2 MET A 23 5.053 -10.327 2.807 1.00 1.00 H new ATOM 0 HG3 MET A 23 6.431 -11.410 2.777 1.00 1.00 H new ATOM 0 HE1 MET A 23 8.374 -10.949 5.866 1.00 1.00 H new ATOM 0 HE2 MET A 23 8.309 -11.393 4.143 1.00 1.00 H new ATOM 0 HE3 MET A 23 8.758 -9.738 4.619 1.00 1.00 H new ATOM 316 N GLU A 24 7.971 -6.169 2.163 1.00 1.00 N ATOM 317 CA GLU A 24 8.695 -5.161 1.385 1.00 1.00 C ATOM 318 C GLU A 24 10.036 -5.711 0.909 1.00 1.00 C ATOM 319 O GLU A 24 10.852 -6.165 1.712 1.00 1.00 O ATOM 320 CB GLU A 24 8.920 -3.916 2.248 1.00 1.00 C ATOM 321 CG GLU A 24 9.658 -2.844 1.443 1.00 1.00 C ATOM 322 CD GLU A 24 9.752 -1.560 2.262 1.00 1.00 C ATOM 323 OE1 GLU A 24 8.990 -1.427 3.204 1.00 1.00 O ATOM 324 OE2 GLU A 24 10.574 -0.725 1.926 1.00 1.00 O ATOM 0 H GLU A 24 8.225 -6.200 3.150 1.00 1.00 H new ATOM 0 HA GLU A 24 8.101 -4.897 0.510 1.00 1.00 H new ATOM 0 HB2 GLU A 24 7.963 -3.527 2.595 1.00 1.00 H new ATOM 0 HB3 GLU A 24 9.498 -4.178 3.134 1.00 1.00 H new ATOM 0 HG2 GLU A 24 10.657 -3.194 1.182 1.00 1.00 H new ATOM 0 HG3 GLU A 24 9.133 -2.652 0.507 1.00 1.00 H new ATOM 331 N MET A 25 10.254 -5.670 -0.406 1.00 1.00 N ATOM 332 CA MET A 25 11.498 -6.170 -0.997 1.00 1.00 C ATOM 333 C MET A 25 12.357 -5.013 -1.494 1.00 1.00 C ATOM 334 O MET A 25 11.856 -4.076 -2.114 1.00 1.00 O ATOM 335 CB MET A 25 11.188 -7.090 -2.181 1.00 1.00 C ATOM 336 CG MET A 25 10.456 -8.344 -1.701 1.00 1.00 C ATOM 337 SD MET A 25 10.241 -9.483 -3.093 1.00 1.00 S ATOM 338 CE MET A 25 9.061 -8.487 -4.039 1.00 1.00 C ATOM 0 H MET A 25 9.587 -5.297 -1.082 1.00 1.00 H new ATOM 0 HA MET A 25 12.038 -6.722 -0.227 1.00 1.00 H new ATOM 0 HB2 MET A 25 10.576 -6.561 -2.911 1.00 1.00 H new ATOM 0 HB3 MET A 25 12.113 -7.371 -2.684 1.00 1.00 H new ATOM 0 HG2 MET A 25 11.023 -8.827 -0.905 1.00 1.00 H new ATOM 0 HG3 MET A 25 9.486 -8.075 -1.283 1.00 1.00 H new ATOM 0 HE1 MET A 25 8.453 -9.140 -4.664 1.00 1.00 H new ATOM 0 HE2 MET A 25 8.416 -7.938 -3.353 1.00 1.00 H new ATOM 0 HE3 MET A 25 9.603 -7.782 -4.670 1.00 1.00 H new ATOM 348 N LYS A 26 13.655 -5.093 -1.232 1.00 1.00 N ATOM 349 CA LYS A 26 14.594 -4.061 -1.671 1.00 1.00 C ATOM 350 C LYS A 26 15.884 -4.704 -2.159 1.00 1.00 C ATOM 351 O LYS A 26 16.273 -5.775 -1.692 1.00 1.00 O ATOM 352 CB LYS A 26 14.907 -3.089 -0.531 1.00 1.00 C ATOM 353 CG LYS A 26 13.662 -2.264 -0.210 1.00 1.00 C ATOM 354 CD LYS A 26 13.963 -1.257 0.908 1.00 1.00 C ATOM 355 CE LYS A 26 14.029 -1.963 2.269 1.00 1.00 C ATOM 356 NZ LYS A 26 14.036 -0.935 3.354 1.00 1.00 N ATOM 0 H LYS A 26 14.085 -5.861 -0.717 1.00 1.00 H new ATOM 0 HA LYS A 26 14.132 -3.506 -2.487 1.00 1.00 H new ATOM 0 HB2 LYS A 26 15.229 -3.640 0.353 1.00 1.00 H new ATOM 0 HB3 LYS A 26 15.729 -2.432 -0.814 1.00 1.00 H new ATOM 0 HG2 LYS A 26 13.327 -1.737 -1.103 1.00 1.00 H new ATOM 0 HG3 LYS A 26 12.849 -2.923 0.095 1.00 1.00 H new ATOM 0 HD2 LYS A 26 14.909 -0.755 0.707 1.00 1.00 H new ATOM 0 HD3 LYS A 26 13.191 -0.487 0.929 1.00 1.00 H new ATOM 0 HE2 LYS A 26 13.175 -2.630 2.388 1.00 1.00 H new ATOM 0 HE3 LYS A 26 14.926 -2.580 2.330 1.00 1.00 H new ATOM 0 HZ1 LYS A 26 14.930 -0.994 3.882 1.00 1.00 H new ATOM 0 HZ2 LYS A 26 13.943 0.012 2.935 1.00 1.00 H new ATOM 0 HZ3 LYS A 26 13.240 -1.107 4.000 1.00 1.00 H new ATOM 370 N GLY A 27 16.536 -4.043 -3.104 1.00 1.00 N ATOM 371 CA GLY A 27 17.787 -4.537 -3.670 1.00 1.00 C ATOM 372 C GLY A 27 18.654 -5.268 -2.636 1.00 1.00 C ATOM 373 O GLY A 27 18.892 -6.470 -2.760 1.00 1.00 O ATOM 0 H GLY A 27 16.219 -3.157 -3.498 1.00 1.00 H new ATOM 0 HA2 GLY A 27 17.566 -5.213 -4.496 1.00 1.00 H new ATOM 0 HA3 GLY A 27 18.350 -3.700 -4.084 1.00 1.00 H new ATOM 377 N PRO A 28 19.151 -4.563 -1.647 1.00 1.00 N ATOM 378 CA PRO A 28 20.043 -5.155 -0.595 1.00 1.00 C ATOM 379 C PRO A 28 19.380 -6.280 0.215 1.00 1.00 C ATOM 380 O PRO A 28 20.055 -7.221 0.632 1.00 1.00 O ATOM 381 CB PRO A 28 20.410 -3.945 0.293 1.00 1.00 C ATOM 382 CG PRO A 28 19.340 -2.933 0.035 1.00 1.00 C ATOM 383 CD PRO A 28 18.920 -3.127 -1.418 1.00 1.00 C ATOM 0 HA PRO A 28 20.911 -5.645 -1.036 1.00 1.00 H new ATOM 0 HB2 PRO A 28 20.443 -4.224 1.346 1.00 1.00 H new ATOM 0 HB3 PRO A 28 21.394 -3.552 0.037 1.00 1.00 H new ATOM 0 HG2 PRO A 28 18.495 -3.078 0.708 1.00 1.00 H new ATOM 0 HG3 PRO A 28 19.711 -1.922 0.202 1.00 1.00 H new ATOM 0 HD2 PRO A 28 17.876 -2.857 -1.575 1.00 1.00 H new ATOM 0 HD3 PRO A 28 19.513 -2.511 -2.094 1.00 1.00 H new ATOM 391 N LEU A 29 18.068 -6.185 0.433 1.00 1.00 N ATOM 392 CA LEU A 29 17.350 -7.218 1.193 1.00 1.00 C ATOM 393 C LEU A 29 15.867 -6.873 1.308 1.00 1.00 C ATOM 394 O LEU A 29 15.407 -5.897 0.721 1.00 1.00 O ATOM 395 CB LEU A 29 17.952 -7.384 2.602 1.00 1.00 C ATOM 396 CG LEU A 29 18.243 -6.018 3.247 1.00 1.00 C ATOM 397 CD1 LEU A 29 16.945 -5.217 3.425 1.00 1.00 C ATOM 398 CD2 LEU A 29 18.895 -6.244 4.618 1.00 1.00 C ATOM 0 H LEU A 29 17.485 -5.417 0.101 1.00 1.00 H new ATOM 0 HA LEU A 29 17.455 -8.158 0.652 1.00 1.00 H new ATOM 0 HB2 LEU A 29 17.262 -7.947 3.231 1.00 1.00 H new ATOM 0 HB3 LEU A 29 18.873 -7.964 2.541 1.00 1.00 H new ATOM 0 HG LEU A 29 18.913 -5.454 2.599 1.00 1.00 H new ATOM 0 HD11 LEU A 29 17.172 -4.254 3.883 1.00 1.00 H new ATOM 0 HD12 LEU A 29 16.480 -5.056 2.452 1.00 1.00 H new ATOM 0 HD13 LEU A 29 16.260 -5.772 4.067 1.00 1.00 H new ATOM 0 HD21 LEU A 29 19.105 -5.281 5.084 1.00 1.00 H new ATOM 0 HD22 LEU A 29 18.218 -6.814 5.254 1.00 1.00 H new ATOM 0 HD23 LEU A 29 19.826 -6.797 4.492 1.00 1.00 H new ATOM 410 N ARG A 30 15.118 -7.676 2.073 1.00 1.00 N ATOM 411 CA ARG A 30 13.682 -7.437 2.264 1.00 1.00 C ATOM 412 C ARG A 30 13.346 -7.324 3.747 1.00 1.00 C ATOM 413 O ARG A 30 14.176 -7.613 4.611 1.00 1.00 O ATOM 414 CB ARG A 30 12.859 -8.563 1.630 1.00 1.00 C ATOM 415 CG ARG A 30 13.122 -9.891 2.343 1.00 1.00 C ATOM 416 CD ARG A 30 12.260 -10.968 1.700 1.00 1.00 C ATOM 417 NE ARG A 30 12.464 -12.251 2.364 1.00 1.00 N ATOM 418 CZ ARG A 30 11.713 -13.309 2.072 1.00 1.00 C ATOM 419 NH1 ARG A 30 10.713 -13.197 1.240 1.00 1.00 N ATOM 420 NH2 ARG A 30 11.966 -14.459 2.635 1.00 1.00 N ATOM 0 H ARG A 30 15.479 -8.492 2.567 1.00 1.00 H new ATOM 0 HA ARG A 30 13.430 -6.496 1.774 1.00 1.00 H new ATOM 0 HB2 ARG A 30 11.798 -8.319 1.684 1.00 1.00 H new ATOM 0 HB3 ARG A 30 13.112 -8.655 0.574 1.00 1.00 H new ATOM 0 HG2 ARG A 30 14.176 -10.157 2.270 1.00 1.00 H new ATOM 0 HG3 ARG A 30 12.888 -9.803 3.404 1.00 1.00 H new ATOM 0 HD2 ARG A 30 11.209 -10.684 1.759 1.00 1.00 H new ATOM 0 HD3 ARG A 30 12.507 -11.056 0.642 1.00 1.00 H new ATOM 0 HE ARG A 30 13.198 -12.338 3.067 1.00 1.00 H new ATOM 0 HH11 ARG A 30 10.505 -12.295 0.811 1.00 1.00 H new ATOM 0 HH12 ARG A 30 10.140 -14.011 1.019 1.00 1.00 H new ATOM 0 HH21 ARG A 30 12.738 -14.544 3.297 1.00 1.00 H new ATOM 0 HH22 ARG A 30 11.392 -15.273 2.413 1.00 1.00 H new ATOM 434 N GLU A 31 12.122 -6.894 4.029 1.00 1.00 N ATOM 435 CA GLU A 31 11.668 -6.733 5.406 1.00 1.00 C ATOM 436 C GLU A 31 10.138 -6.766 5.450 1.00 1.00 C ATOM 437 O GLU A 31 9.490 -6.262 4.534 1.00 1.00 O ATOM 438 CB GLU A 31 12.162 -5.386 5.948 1.00 1.00 C ATOM 439 CG GLU A 31 11.580 -4.254 5.093 1.00 1.00 C ATOM 440 CD GLU A 31 12.197 -2.916 5.491 1.00 1.00 C ATOM 441 OE1 GLU A 31 13.046 -2.915 6.368 1.00 1.00 O ATOM 442 OE2 GLU A 31 11.810 -1.917 4.912 1.00 1.00 O ATOM 0 H GLU A 31 11.426 -6.651 3.324 1.00 1.00 H new ATOM 0 HA GLU A 31 12.066 -7.544 6.016 1.00 1.00 H new ATOM 0 HB2 GLU A 31 11.858 -5.265 6.988 1.00 1.00 H new ATOM 0 HB3 GLU A 31 13.251 -5.350 5.928 1.00 1.00 H new ATOM 0 HG2 GLU A 31 11.772 -4.451 4.038 1.00 1.00 H new ATOM 0 HG3 GLU A 31 10.498 -4.214 5.218 1.00 1.00 H new ATOM 449 N PRO A 32 9.540 -7.326 6.473 1.00 1.00 N ATOM 450 CA PRO A 32 8.055 -7.382 6.568 1.00 1.00 C ATOM 451 C PRO A 32 7.456 -5.980 6.615 1.00 1.00 C ATOM 452 O PRO A 32 8.047 -5.057 7.178 1.00 1.00 O ATOM 453 CB PRO A 32 7.785 -8.176 7.860 1.00 1.00 C ATOM 454 CG PRO A 32 9.047 -8.071 8.656 1.00 1.00 C ATOM 455 CD PRO A 32 10.183 -7.954 7.639 1.00 1.00 C ATOM 0 HA PRO A 32 7.594 -7.856 5.702 1.00 1.00 H new ATOM 0 HB2 PRO A 32 6.939 -7.761 8.407 1.00 1.00 H new ATOM 0 HB3 PRO A 32 7.544 -9.216 7.640 1.00 1.00 H new ATOM 0 HG2 PRO A 32 9.022 -7.202 9.313 1.00 1.00 H new ATOM 0 HG3 PRO A 32 9.181 -8.947 9.291 1.00 1.00 H new ATOM 0 HD2 PRO A 32 11.002 -7.345 8.021 1.00 1.00 H new ATOM 0 HD3 PRO A 32 10.600 -8.930 7.390 1.00 1.00 H new ATOM 463 N CYS A 33 6.286 -5.828 6.007 1.00 1.00 N ATOM 464 CA CYS A 33 5.614 -4.535 5.965 1.00 1.00 C ATOM 465 C CYS A 33 4.112 -4.723 5.794 1.00 1.00 C ATOM 466 O CYS A 33 3.623 -5.847 5.723 1.00 1.00 O ATOM 467 CB CYS A 33 6.159 -3.712 4.796 1.00 1.00 C ATOM 468 SG CYS A 33 5.521 -4.381 3.238 1.00 1.00 S ATOM 0 H CYS A 33 5.784 -6.582 5.537 1.00 1.00 H new ATOM 0 HA CYS A 33 5.801 -4.012 6.903 1.00 1.00 H new ATOM 0 HB2 CYS A 33 5.865 -2.668 4.904 1.00 1.00 H new ATOM 0 HB3 CYS A 33 7.249 -3.737 4.796 1.00 1.00 H new ATOM 0 HG CYS A 33 5.709 -3.517 2.285 1.00 1.00 H new ATOM 474 N ALA A 34 3.387 -3.611 5.723 1.00 1.00 N ATOM 475 CA ALA A 34 1.938 -3.656 5.545 1.00 1.00 C ATOM 476 C ALA A 34 1.459 -2.432 4.781 1.00 1.00 C ATOM 477 O ALA A 34 1.973 -1.331 4.971 1.00 1.00 O ATOM 478 CB ALA A 34 1.241 -3.722 6.905 1.00 1.00 C ATOM 0 H ALA A 34 3.776 -2.670 5.786 1.00 1.00 H new ATOM 0 HA ALA A 34 1.689 -4.549 4.972 1.00 1.00 H new ATOM 0 HB1 ALA A 34 0.161 -3.755 6.759 1.00 1.00 H new ATOM 0 HB2 ALA A 34 1.563 -4.618 7.436 1.00 1.00 H new ATOM 0 HB3 ALA A 34 1.501 -2.840 7.490 1.00 1.00 H new ATOM 484 N LEU A 35 0.469 -2.633 3.913 1.00 1.00 N ATOM 485 CA LEU A 35 -0.080 -1.542 3.110 1.00 1.00 C ATOM 486 C LEU A 35 -1.508 -1.240 3.538 1.00 1.00 C ATOM 487 O LEU A 35 -2.369 -2.119 3.521 1.00 1.00 O ATOM 488 CB LEU A 35 -0.053 -1.921 1.622 1.00 1.00 C ATOM 489 CG LEU A 35 1.403 -2.213 1.171 1.00 1.00 C ATOM 490 CD1 LEU A 35 1.727 -3.711 1.300 1.00 1.00 C ATOM 491 CD2 LEU A 35 1.593 -1.798 -0.291 1.00 1.00 C ATOM 0 H LEU A 35 0.031 -3.539 3.748 1.00 1.00 H new ATOM 0 HA LEU A 35 0.531 -0.653 3.265 1.00 1.00 H new ATOM 0 HB2 LEU A 35 -0.677 -2.798 1.451 1.00 1.00 H new ATOM 0 HB3 LEU A 35 -0.471 -1.111 1.025 1.00 1.00 H new ATOM 0 HG LEU A 35 2.072 -1.642 1.814 1.00 1.00 H new ATOM 0 HD11 LEU A 35 2.753 -3.890 0.978 1.00 1.00 H new ATOM 0 HD12 LEU A 35 1.614 -4.020 2.339 1.00 1.00 H new ATOM 0 HD13 LEU A 35 1.044 -4.286 0.674 1.00 1.00 H new ATOM 0 HD21 LEU A 35 2.618 -2.007 -0.598 1.00 1.00 H new ATOM 0 HD22 LEU A 35 0.904 -2.360 -0.921 1.00 1.00 H new ATOM 0 HD23 LEU A 35 1.393 -0.732 -0.395 1.00 1.00 H new ATOM 503 N THR A 36 -1.755 0.010 3.934 1.00 1.00 N ATOM 504 CA THR A 36 -3.088 0.422 4.377 1.00 1.00 C ATOM 505 C THR A 36 -3.620 1.584 3.556 1.00 1.00 C ATOM 506 O THR A 36 -3.075 2.688 3.579 1.00 1.00 O ATOM 507 CB THR A 36 -3.037 0.813 5.856 1.00 1.00 C ATOM 508 OG1 THR A 36 -2.623 -0.310 6.623 1.00 1.00 O ATOM 509 CG2 THR A 36 -4.425 1.261 6.316 1.00 1.00 C ATOM 0 H THR A 36 -1.054 0.751 3.957 1.00 1.00 H new ATOM 0 HA THR A 36 -3.765 -0.421 4.237 1.00 1.00 H new ATOM 0 HB THR A 36 -2.330 1.632 5.993 1.00 1.00 H new ATOM 0 HG1 THR A 36 -3.020 -0.260 7.517 1.00 1.00 H new ATOM 0 HG21 THR A 36 -4.387 1.539 7.369 1.00 1.00 H new ATOM 0 HG22 THR A 36 -4.745 2.120 5.725 1.00 1.00 H new ATOM 0 HG23 THR A 36 -5.134 0.444 6.182 1.00 1.00 H new ATOM 517 N LEU A 37 -4.716 1.324 2.851 1.00 1.00 N ATOM 518 CA LEU A 37 -5.360 2.344 2.035 1.00 1.00 C ATOM 519 C LEU A 37 -6.275 3.182 2.912 1.00 1.00 C ATOM 520 O LEU A 37 -7.074 2.644 3.677 1.00 1.00 O ATOM 521 CB LEU A 37 -6.167 1.676 0.914 1.00 1.00 C ATOM 522 CG LEU A 37 -6.911 2.733 0.082 1.00 1.00 C ATOM 523 CD1 LEU A 37 -5.913 3.752 -0.494 1.00 1.00 C ATOM 524 CD2 LEU A 37 -7.674 2.036 -1.059 1.00 1.00 C ATOM 0 H LEU A 37 -5.176 0.414 2.829 1.00 1.00 H new ATOM 0 HA LEU A 37 -4.604 2.988 1.586 1.00 1.00 H new ATOM 0 HB2 LEU A 37 -5.500 1.102 0.271 1.00 1.00 H new ATOM 0 HB3 LEU A 37 -6.881 0.973 1.342 1.00 1.00 H new ATOM 0 HG LEU A 37 -7.618 3.263 0.720 1.00 1.00 H new ATOM 0 HD11 LEU A 37 -6.451 4.496 -1.082 1.00 1.00 H new ATOM 0 HD12 LEU A 37 -5.386 4.246 0.322 1.00 1.00 H new ATOM 0 HD13 LEU A 37 -5.194 3.237 -1.131 1.00 1.00 H new ATOM 0 HD21 LEU A 37 -8.203 2.782 -1.652 1.00 1.00 H new ATOM 0 HD22 LEU A 37 -6.969 1.501 -1.695 1.00 1.00 H new ATOM 0 HD23 LEU A 37 -8.391 1.331 -0.639 1.00 1.00 H new ATOM 536 N ALA A 38 -6.151 4.502 2.817 1.00 1.00 N ATOM 537 CA ALA A 38 -6.973 5.392 3.632 1.00 1.00 C ATOM 538 C ALA A 38 -7.349 6.654 2.864 1.00 1.00 C ATOM 539 O ALA A 38 -6.621 7.097 1.980 1.00 1.00 O ATOM 540 CB ALA A 38 -6.217 5.763 4.912 1.00 1.00 C ATOM 0 H ALA A 38 -5.498 4.975 2.192 1.00 1.00 H new ATOM 0 HA ALA A 38 -7.894 4.868 3.890 1.00 1.00 H new ATOM 0 HB1 ALA A 38 -6.833 6.427 5.519 1.00 1.00 H new ATOM 0 HB2 ALA A 38 -5.993 4.858 5.478 1.00 1.00 H new ATOM 0 HB3 ALA A 38 -5.287 6.268 4.652 1.00 1.00 H new ATOM 546 N GLN A 39 -8.500 7.226 3.215 1.00 1.00 N ATOM 547 CA GLN A 39 -8.994 8.442 2.566 1.00 1.00 C ATOM 548 C GLN A 39 -8.927 9.613 3.546 1.00 1.00 C ATOM 549 O GLN A 39 -9.525 9.561 4.620 1.00 1.00 O ATOM 550 CB GLN A 39 -10.445 8.223 2.125 1.00 1.00 C ATOM 551 CG GLN A 39 -10.927 9.415 1.298 1.00 1.00 C ATOM 552 CD GLN A 39 -12.405 9.246 0.952 1.00 1.00 C ATOM 553 OE1 GLN A 39 -12.739 8.777 -0.135 1.00 1.00 O ATOM 554 NE2 GLN A 39 -13.314 9.591 1.824 1.00 1.00 N ATOM 0 H GLN A 39 -9.111 6.866 3.948 1.00 1.00 H new ATOM 0 HA GLN A 39 -8.377 8.668 1.697 1.00 1.00 H new ATOM 0 HB2 GLN A 39 -10.521 7.308 1.537 1.00 1.00 H new ATOM 0 HB3 GLN A 39 -11.084 8.094 2.999 1.00 1.00 H new ATOM 0 HG2 GLN A 39 -10.779 10.339 1.856 1.00 1.00 H new ATOM 0 HG3 GLN A 39 -10.338 9.497 0.384 1.00 1.00 H new ATOM 0 HE21 GLN A 39 -13.035 9.980 2.725 1.00 1.00 H new ATOM 0 HE22 GLN A 39 -14.303 9.472 1.604 1.00 1.00 H new ATOM 563 N ARG A 40 -8.197 10.671 3.181 1.00 1.00 N ATOM 564 CA ARG A 40 -8.069 11.841 4.057 1.00 1.00 C ATOM 565 C ARG A 40 -8.268 13.133 3.272 1.00 1.00 C ATOM 566 O ARG A 40 -7.791 13.268 2.145 1.00 1.00 O ATOM 567 CB ARG A 40 -6.691 11.838 4.729 1.00 1.00 C ATOM 568 CG ARG A 40 -6.594 13.008 5.714 1.00 1.00 C ATOM 569 CD ARG A 40 -5.306 12.887 6.532 1.00 1.00 C ATOM 570 NE ARG A 40 -4.135 13.010 5.670 1.00 1.00 N ATOM 571 CZ ARG A 40 -2.908 12.811 6.140 1.00 1.00 C ATOM 572 NH1 ARG A 40 -2.729 12.474 7.390 1.00 1.00 N ATOM 573 NH2 ARG A 40 -1.879 12.943 5.350 1.00 1.00 N ATOM 0 H ARG A 40 -7.692 10.743 2.298 1.00 1.00 H new ATOM 0 HA ARG A 40 -8.843 11.787 4.823 1.00 1.00 H new ATOM 0 HB2 ARG A 40 -6.533 10.895 5.253 1.00 1.00 H new ATOM 0 HB3 ARG A 40 -5.908 11.919 3.975 1.00 1.00 H new ATOM 0 HG2 ARG A 40 -6.605 13.954 5.173 1.00 1.00 H new ATOM 0 HG3 ARG A 40 -7.459 13.010 6.377 1.00 1.00 H new ATOM 0 HD2 ARG A 40 -5.282 13.661 7.299 1.00 1.00 H new ATOM 0 HD3 ARG A 40 -5.285 11.927 7.047 1.00 1.00 H new ATOM 0 HE ARG A 40 -4.261 13.253 4.687 1.00 1.00 H new ATOM 0 HH11 ARG A 40 -3.533 12.363 8.008 1.00 1.00 H new ATOM 0 HH12 ARG A 40 -1.786 12.322 7.747 1.00 1.00 H new ATOM 0 HH21 ARG A 40 -2.016 13.199 4.372 1.00 1.00 H new ATOM 0 HH22 ARG A 40 -0.937 12.790 5.710 1.00 1.00 H new ATOM 587 N ASN A 41 -8.983 14.074 3.886 1.00 1.00 N ATOM 588 CA ASN A 41 -9.265 15.367 3.268 1.00 1.00 C ATOM 589 C ASN A 41 -10.019 15.206 1.949 1.00 1.00 C ATOM 590 O ASN A 41 -9.838 15.996 1.024 1.00 1.00 O ATOM 591 CB ASN A 41 -7.961 16.133 3.023 1.00 1.00 C ATOM 592 CG ASN A 41 -7.363 16.580 4.352 1.00 1.00 C ATOM 593 OD1 ASN A 41 -8.073 16.656 5.357 1.00 1.00 O ATOM 594 ND2 ASN A 41 -6.097 16.881 4.420 1.00 1.00 N ATOM 0 H ASN A 41 -9.380 13.963 4.819 1.00 1.00 H new ATOM 0 HA ASN A 41 -9.896 15.929 3.956 1.00 1.00 H new ATOM 0 HB2 ASN A 41 -7.252 15.500 2.490 1.00 1.00 H new ATOM 0 HB3 ASN A 41 -8.152 17.000 2.390 1.00 1.00 H new ATOM 0 HD21 ASN A 41 -5.691 17.180 5.306 1.00 1.00 H new ATOM 0 HD22 ASN A 41 -5.512 16.817 3.587 1.00 1.00 H new ATOM 601 N GLY A 42 -10.875 14.188 1.871 1.00 1.00 N ATOM 602 CA GLY A 42 -11.656 13.961 0.656 1.00 1.00 C ATOM 603 C GLY A 42 -10.757 13.500 -0.483 1.00 1.00 C ATOM 604 O GLY A 42 -11.068 13.695 -1.658 1.00 1.00 O ATOM 0 H GLY A 42 -11.044 13.518 2.621 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -12.424 13.211 0.846 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -12.170 14.879 0.371 1.00 1.00 H new ATOM 608 N GLN A 43 -9.631 12.896 -0.118 1.00 1.00 N ATOM 609 CA GLN A 43 -8.660 12.408 -1.092 1.00 1.00 C ATOM 610 C GLN A 43 -8.191 11.010 -0.710 1.00 1.00 C ATOM 611 O GLN A 43 -8.208 10.644 0.459 1.00 1.00 O ATOM 612 CB GLN A 43 -7.469 13.374 -1.124 1.00 1.00 C ATOM 613 CG GLN A 43 -6.317 12.776 -1.930 1.00 1.00 C ATOM 614 CD GLN A 43 -5.247 13.837 -2.170 1.00 1.00 C ATOM 615 OE1 GLN A 43 -5.505 15.028 -1.995 1.00 1.00 O ATOM 616 NE2 GLN A 43 -4.056 13.476 -2.559 1.00 1.00 N ATOM 0 H GLN A 43 -9.367 12.732 0.853 1.00 1.00 H new ATOM 0 HA GLN A 43 -9.121 12.357 -2.079 1.00 1.00 H new ATOM 0 HB2 GLN A 43 -7.775 14.323 -1.564 1.00 1.00 H new ATOM 0 HB3 GLN A 43 -7.138 13.586 -0.107 1.00 1.00 H new ATOM 0 HG2 GLN A 43 -5.888 11.929 -1.395 1.00 1.00 H new ATOM 0 HG3 GLN A 43 -6.686 12.397 -2.883 1.00 1.00 H new ATOM 0 HE21 GLN A 43 -3.844 12.489 -2.703 1.00 1.00 H new ATOM 0 HE22 GLN A 43 -3.336 14.181 -2.719 1.00 1.00 H new ATOM 625 N TYR A 44 -7.761 10.236 -1.703 1.00 1.00 N ATOM 626 CA TYR A 44 -7.279 8.881 -1.448 1.00 1.00 C ATOM 627 C TYR A 44 -5.774 8.897 -1.205 1.00 1.00 C ATOM 628 O TYR A 44 -5.020 9.500 -1.969 1.00 1.00 O ATOM 629 CB TYR A 44 -7.588 7.973 -2.642 1.00 1.00 C ATOM 630 CG TYR A 44 -9.069 7.692 -2.702 1.00 1.00 C ATOM 631 CD1 TYR A 44 -9.914 8.542 -3.426 1.00 1.00 C ATOM 632 CD2 TYR A 44 -9.597 6.578 -2.039 1.00 1.00 C ATOM 633 CE1 TYR A 44 -11.287 8.278 -3.484 1.00 1.00 C ATOM 634 CE2 TYR A 44 -10.969 6.313 -2.099 1.00 1.00 C ATOM 635 CZ TYR A 44 -11.815 7.163 -2.822 1.00 1.00 C ATOM 636 OH TYR A 44 -13.169 6.902 -2.883 1.00 1.00 O ATOM 0 H TYR A 44 -7.736 10.520 -2.682 1.00 1.00 H new ATOM 0 HA TYR A 44 -7.786 8.497 -0.563 1.00 1.00 H new ATOM 0 HB2 TYR A 44 -7.261 8.449 -3.567 1.00 1.00 H new ATOM 0 HB3 TYR A 44 -7.035 7.038 -2.552 1.00 1.00 H new ATOM 0 HD1 TYR A 44 -9.506 9.400 -3.939 1.00 1.00 H new ATOM 0 HD2 TYR A 44 -8.945 5.923 -1.481 1.00 1.00 H new ATOM 0 HE1 TYR A 44 -11.940 8.935 -4.040 1.00 1.00 H new ATOM 0 HE2 TYR A 44 -11.376 5.453 -1.588 1.00 1.00 H new ATOM 0 HH TYR A 44 -13.369 6.091 -2.370 1.00 1.00 H new ATOM 646 N GLU A 45 -5.340 8.225 -0.140 1.00 1.00 N ATOM 647 CA GLU A 45 -3.917 8.158 0.193 1.00 1.00 C ATOM 648 C GLU A 45 -3.554 6.766 0.705 1.00 1.00 C ATOM 649 O GLU A 45 -4.324 6.137 1.431 1.00 1.00 O ATOM 650 CB GLU A 45 -3.559 9.223 1.239 1.00 1.00 C ATOM 651 CG GLU A 45 -4.315 8.970 2.547 1.00 1.00 C ATOM 652 CD GLU A 45 -3.898 10.002 3.590 1.00 1.00 C ATOM 653 OE1 GLU A 45 -3.727 11.153 3.222 1.00 1.00 O ATOM 654 OE2 GLU A 45 -3.753 9.625 4.743 1.00 1.00 O ATOM 0 H GLU A 45 -5.949 7.721 0.505 1.00 1.00 H new ATOM 0 HA GLU A 45 -3.342 8.355 -0.712 1.00 1.00 H new ATOM 0 HB2 GLU A 45 -2.485 9.211 1.425 1.00 1.00 H new ATOM 0 HB3 GLU A 45 -3.805 10.213 0.856 1.00 1.00 H new ATOM 0 HG2 GLU A 45 -5.390 9.027 2.374 1.00 1.00 H new ATOM 0 HG3 GLU A 45 -4.104 7.965 2.912 1.00 1.00 H new ATOM 661 N LEU A 46 -2.371 6.295 0.314 1.00 1.00 N ATOM 662 CA LEU A 46 -1.888 4.972 0.720 1.00 1.00 C ATOM 663 C LEU A 46 -0.818 5.097 1.797 1.00 1.00 C ATOM 664 O LEU A 46 0.167 5.814 1.628 1.00 1.00 O ATOM 665 CB LEU A 46 -1.303 4.248 -0.502 1.00 1.00 C ATOM 666 CG LEU A 46 -0.676 2.904 -0.095 1.00 1.00 C ATOM 667 CD1 LEU A 46 -1.707 2.039 0.642 1.00 1.00 C ATOM 668 CD2 LEU A 46 -0.210 2.171 -1.355 1.00 1.00 C ATOM 0 H LEU A 46 -1.726 6.810 -0.285 1.00 1.00 H new ATOM 0 HA LEU A 46 -2.724 4.402 1.125 1.00 1.00 H new ATOM 0 HB2 LEU A 46 -2.087 4.079 -1.240 1.00 1.00 H new ATOM 0 HB3 LEU A 46 -0.549 4.877 -0.976 1.00 1.00 H new ATOM 0 HG LEU A 46 0.169 3.088 0.568 1.00 1.00 H new ATOM 0 HD11 LEU A 46 -1.251 1.090 0.925 1.00 1.00 H new ATOM 0 HD12 LEU A 46 -2.045 2.560 1.538 1.00 1.00 H new ATOM 0 HD13 LEU A 46 -2.559 1.851 -0.012 1.00 1.00 H new ATOM 0 HD21 LEU A 46 0.236 1.216 -1.076 1.00 1.00 H new ATOM 0 HD22 LEU A 46 -1.063 1.995 -2.010 1.00 1.00 H new ATOM 0 HD23 LEU A 46 0.529 2.779 -1.877 1.00 1.00 H new ATOM 680 N ILE A 47 -1.012 4.381 2.903 1.00 1.00 N ATOM 681 CA ILE A 47 -0.049 4.404 4.005 1.00 1.00 C ATOM 682 C ILE A 47 0.718 3.092 4.058 1.00 1.00 C ATOM 683 O ILE A 47 0.135 2.029 4.267 1.00 1.00 O ATOM 684 CB ILE A 47 -0.772 4.604 5.337 1.00 1.00 C ATOM 685 CG1 ILE A 47 -1.552 5.920 5.306 1.00 1.00 C ATOM 686 CG2 ILE A 47 0.259 4.652 6.467 1.00 1.00 C ATOM 687 CD1 ILE A 47 -2.464 5.998 6.531 1.00 1.00 C ATOM 0 H ILE A 47 -1.822 3.781 3.061 1.00 1.00 H new ATOM 0 HA ILE A 47 0.643 5.229 3.836 1.00 1.00 H new ATOM 0 HB ILE A 47 -1.464 3.778 5.503 1.00 1.00 H new ATOM 0 HG12 ILE A 47 -0.863 6.764 5.298 1.00 1.00 H new ATOM 0 HG13 ILE A 47 -2.144 5.983 4.393 1.00 1.00 H new ATOM 0 HG21 ILE A 47 -0.251 4.795 7.419 1.00 1.00 H new ATOM 0 HG22 ILE A 47 0.817 3.716 6.491 1.00 1.00 H new ATOM 0 HG23 ILE A 47 0.947 5.480 6.297 1.00 1.00 H new ATOM 0 HD11 ILE A 47 -3.021 6.935 6.511 1.00 1.00 H new ATOM 0 HD12 ILE A 47 -3.162 5.161 6.519 1.00 1.00 H new ATOM 0 HD13 ILE A 47 -1.860 5.954 7.437 1.00 1.00 H new ATOM 699 N ILE A 48 2.035 3.167 3.881 1.00 1.00 N ATOM 700 CA ILE A 48 2.876 1.969 3.928 1.00 1.00 C ATOM 701 C ILE A 48 3.567 1.882 5.283 1.00 1.00 C ATOM 702 O ILE A 48 4.269 2.804 5.691 1.00 1.00 O ATOM 703 CB ILE A 48 3.928 2.023 2.821 1.00 1.00 C ATOM 704 CG1 ILE A 48 3.234 2.141 1.462 1.00 1.00 C ATOM 705 CG2 ILE A 48 4.759 0.739 2.852 1.00 1.00 C ATOM 706 CD1 ILE A 48 4.278 2.415 0.378 1.00 1.00 C ATOM 0 H ILE A 48 2.541 4.035 3.705 1.00 1.00 H new ATOM 0 HA ILE A 48 2.249 1.090 3.781 1.00 1.00 H new ATOM 0 HB ILE A 48 4.576 2.886 2.976 1.00 1.00 H new ATOM 0 HG12 ILE A 48 2.693 1.222 1.237 1.00 1.00 H new ATOM 0 HG13 ILE A 48 2.499 2.946 1.486 1.00 1.00 H new ATOM 0 HG21 ILE A 48 5.511 0.773 2.064 1.00 1.00 H new ATOM 0 HG22 ILE A 48 5.252 0.648 3.820 1.00 1.00 H new ATOM 0 HG23 ILE A 48 4.107 -0.120 2.694 1.00 1.00 H new ATOM 0 HD11 ILE A 48 3.784 2.499 -0.590 1.00 1.00 H new ATOM 0 HD12 ILE A 48 4.799 3.346 0.602 1.00 1.00 H new ATOM 0 HD13 ILE A 48 4.996 1.595 0.349 1.00 1.00 H new ATOM 718 N GLN A 49 3.354 0.772 5.986 1.00 1.00 N ATOM 719 CA GLN A 49 3.954 0.578 7.310 1.00 1.00 C ATOM 720 C GLN A 49 5.063 -0.462 7.261 1.00 1.00 C ATOM 721 O GLN A 49 4.875 -1.559 6.741 1.00 1.00 O ATOM 722 CB GLN A 49 2.889 0.124 8.303 1.00 1.00 C ATOM 723 CG GLN A 49 1.901 1.261 8.539 1.00 1.00 C ATOM 724 CD GLN A 49 0.919 0.872 9.634 1.00 1.00 C ATOM 725 OE1 GLN A 49 0.090 -0.016 9.441 1.00 1.00 O ATOM 726 NE2 GLN A 49 0.983 1.475 10.787 1.00 1.00 N ATOM 0 H GLN A 49 2.775 -0.004 5.666 1.00 1.00 H new ATOM 0 HA GLN A 49 4.378 1.530 7.628 1.00 1.00 H new ATOM 0 HB2 GLN A 49 2.367 -0.752 7.918 1.00 1.00 H new ATOM 0 HB3 GLN A 49 3.354 -0.170 9.244 1.00 1.00 H new ATOM 0 HG2 GLN A 49 2.436 2.167 8.823 1.00 1.00 H new ATOM 0 HG3 GLN A 49 1.363 1.484 7.618 1.00 1.00 H new ATOM 0 HE21 GLN A 49 1.673 2.211 10.940 1.00 1.00 H new ATOM 0 HE22 GLN A 49 0.343 1.212 11.536 1.00 1.00 H new ATOM 735 N LEU A 50 6.218 -0.117 7.824 1.00 1.00 N ATOM 736 CA LEU A 50 7.358 -1.037 7.863 1.00 1.00 C ATOM 737 C LEU A 50 7.551 -1.547 9.288 1.00 1.00 C ATOM 738 O LEU A 50 7.937 -0.791 10.176 1.00 1.00 O ATOM 739 CB LEU A 50 8.633 -0.316 7.388 1.00 1.00 C ATOM 740 CG LEU A 50 8.732 -0.365 5.858 1.00 1.00 C ATOM 741 CD1 LEU A 50 7.465 0.226 5.228 1.00 1.00 C ATOM 742 CD2 LEU A 50 9.958 0.438 5.408 1.00 1.00 C ATOM 0 H LEU A 50 6.392 0.789 8.259 1.00 1.00 H new ATOM 0 HA LEU A 50 7.163 -1.880 7.200 1.00 1.00 H new ATOM 0 HB2 LEU A 50 8.620 0.720 7.726 1.00 1.00 H new ATOM 0 HB3 LEU A 50 9.511 -0.785 7.832 1.00 1.00 H new ATOM 0 HG LEU A 50 8.832 -1.401 5.535 1.00 1.00 H new ATOM 0 HD11 LEU A 50 7.546 0.186 4.142 1.00 1.00 H new ATOM 0 HD12 LEU A 50 6.597 -0.350 5.548 1.00 1.00 H new ATOM 0 HD13 LEU A 50 7.350 1.262 5.545 1.00 1.00 H new ATOM 0 HD21 LEU A 50 10.034 0.407 4.321 1.00 1.00 H new ATOM 0 HD22 LEU A 50 9.856 1.473 5.735 1.00 1.00 H new ATOM 0 HD23 LEU A 50 10.857 0.006 5.847 1.00 1.00 H new ATOM 754 N HIS A 51 7.282 -2.828 9.495 1.00 1.00 N ATOM 755 CA HIS A 51 7.426 -3.425 10.818 1.00 1.00 C ATOM 756 C HIS A 51 8.852 -3.246 11.330 1.00 1.00 C ATOM 757 O HIS A 51 9.133 -3.462 12.509 1.00 1.00 O ATOM 758 CB HIS A 51 7.095 -4.914 10.754 1.00 1.00 C ATOM 759 CG HIS A 51 5.644 -5.097 10.407 1.00 1.00 C ATOM 760 ND1 HIS A 51 4.625 -4.831 11.308 1.00 1.00 N ATOM 761 CD2 HIS A 51 5.025 -5.523 9.259 1.00 1.00 C ATOM 762 CE1 HIS A 51 3.457 -5.101 10.693 1.00 1.00 C ATOM 763 NE2 HIS A 51 3.646 -5.525 9.442 1.00 1.00 N ATOM 0 H HIS A 51 6.965 -3.472 8.770 1.00 1.00 H new ATOM 0 HA HIS A 51 6.738 -2.926 11.500 1.00 1.00 H new ATOM 0 HB2 HIS A 51 7.722 -5.404 10.009 1.00 1.00 H new ATOM 0 HB3 HIS A 51 7.312 -5.386 11.712 1.00 1.00 H new ATOM 0 HD2 HIS A 51 5.532 -5.813 8.350 1.00 1.00 H new ATOM 0 HE1 HIS A 51 2.488 -4.988 11.155 1.00 1.00 H new ATOM 0 HE2 HIS A 51 2.932 -5.793 8.765 1.00 1.00 H new ATOM 771 N GLU A 52 9.746 -2.848 10.430 1.00 1.00 N ATOM 772 CA GLU A 52 11.145 -2.638 10.775 1.00 1.00 C ATOM 773 C GLU A 52 11.646 -3.762 11.686 1.00 1.00 C ATOM 774 O GLU A 52 10.979 -4.784 11.848 1.00 1.00 O ATOM 775 CB GLU A 52 11.301 -1.266 11.466 1.00 1.00 C ATOM 776 CG GLU A 52 12.596 -0.583 11.010 1.00 1.00 C ATOM 777 CD GLU A 52 12.417 0.013 9.613 1.00 1.00 C ATOM 778 OE1 GLU A 52 11.303 -0.016 9.117 1.00 1.00 O ATOM 779 OE2 GLU A 52 13.397 0.488 9.064 1.00 1.00 O ATOM 0 H GLU A 52 9.523 -2.664 9.452 1.00 1.00 H new ATOM 0 HA GLU A 52 11.746 -2.650 9.866 1.00 1.00 H new ATOM 0 HB2 GLU A 52 10.446 -0.633 11.230 1.00 1.00 H new ATOM 0 HB3 GLU A 52 11.312 -1.396 12.548 1.00 1.00 H new ATOM 0 HG2 GLU A 52 12.869 0.202 11.715 1.00 1.00 H new ATOM 0 HG3 GLU A 52 13.413 -1.304 11.003 1.00 1.00 H new ATOM 786 N LYS A 53 12.819 -3.566 12.277 1.00 1.00 N ATOM 787 CA LYS A 53 13.386 -4.573 13.165 1.00 1.00 C ATOM 788 C LYS A 53 12.492 -4.763 14.389 1.00 1.00 C ATOM 789 O LYS A 53 12.261 -5.889 14.831 1.00 1.00 O ATOM 790 CB LYS A 53 14.793 -4.160 13.607 1.00 1.00 C ATOM 791 CG LYS A 53 15.736 -4.174 12.401 1.00 1.00 C ATOM 792 CD LYS A 53 17.152 -3.803 12.852 1.00 1.00 C ATOM 793 CE LYS A 53 18.108 -3.862 11.658 1.00 1.00 C ATOM 794 NZ LYS A 53 17.706 -2.843 10.648 1.00 1.00 N ATOM 0 H LYS A 53 13.390 -2.729 12.159 1.00 1.00 H new ATOM 0 HA LYS A 53 13.449 -5.516 12.623 1.00 1.00 H new ATOM 0 HB2 LYS A 53 14.768 -3.164 14.050 1.00 1.00 H new ATOM 0 HB3 LYS A 53 15.159 -4.842 14.375 1.00 1.00 H new ATOM 0 HG2 LYS A 53 15.737 -5.161 11.939 1.00 1.00 H new ATOM 0 HG3 LYS A 53 15.388 -3.469 11.646 1.00 1.00 H new ATOM 0 HD2 LYS A 53 17.156 -2.802 13.284 1.00 1.00 H new ATOM 0 HD3 LYS A 53 17.486 -4.487 13.632 1.00 1.00 H new ATOM 0 HE2 LYS A 53 19.131 -3.679 11.988 1.00 1.00 H new ATOM 0 HE3 LYS A 53 18.090 -4.857 11.213 1.00 1.00 H new ATOM 0 HZ1 LYS A 53 18.505 -2.653 10.009 1.00 1.00 H new ATOM 0 HZ2 LYS A 53 16.899 -3.200 10.097 1.00 1.00 H new ATOM 0 HZ3 LYS A 53 17.433 -1.964 11.132 1.00 1.00 H new ATOM 808 N GLU A 54 11.989 -3.650 14.931 1.00 1.00 N ATOM 809 CA GLU A 54 11.112 -3.699 16.110 1.00 1.00 C ATOM 810 C GLU A 54 9.956 -2.714 15.965 1.00 1.00 C ATOM 811 O GLU A 54 8.799 -3.113 15.837 1.00 1.00 O ATOM 812 CB GLU A 54 11.906 -3.349 17.368 1.00 1.00 C ATOM 813 CG GLU A 54 13.009 -4.383 17.562 1.00 1.00 C ATOM 814 CD GLU A 54 13.821 -4.059 18.811 1.00 1.00 C ATOM 815 OE1 GLU A 54 13.450 -3.134 19.511 1.00 1.00 O ATOM 816 OE2 GLU A 54 14.800 -4.747 19.048 1.00 1.00 O ATOM 0 H GLU A 54 12.170 -2.711 14.578 1.00 1.00 H new ATOM 0 HA GLU A 54 10.713 -4.710 16.192 1.00 1.00 H new ATOM 0 HB2 GLU A 54 12.337 -2.352 17.276 1.00 1.00 H new ATOM 0 HB3 GLU A 54 11.248 -3.333 18.237 1.00 1.00 H new ATOM 0 HG2 GLU A 54 12.573 -5.378 17.651 1.00 1.00 H new ATOM 0 HG3 GLU A 54 13.661 -4.398 16.689 1.00 1.00 H new ATOM 823 N GLN A 55 10.278 -1.427 16.006 1.00 1.00 N ATOM 824 CA GLN A 55 9.254 -0.388 15.894 1.00 1.00 C ATOM 825 C GLN A 55 8.673 -0.336 14.483 1.00 1.00 C ATOM 826 O GLN A 55 9.392 -0.500 13.498 1.00 1.00 O ATOM 827 CB GLN A 55 9.848 0.978 16.248 1.00 1.00 C ATOM 828 CG GLN A 55 10.975 1.321 15.272 1.00 1.00 C ATOM 829 CD GLN A 55 11.643 2.628 15.686 1.00 1.00 C ATOM 830 OE1 GLN A 55 11.742 2.925 16.876 1.00 1.00 O ATOM 831 NE2 GLN A 55 12.113 3.431 14.769 1.00 1.00 N ATOM 0 H GLN A 55 11.230 -1.077 16.115 1.00 1.00 H new ATOM 0 HA GLN A 55 8.453 -0.633 16.592 1.00 1.00 H new ATOM 0 HB2 GLN A 55 9.073 1.744 16.207 1.00 1.00 H new ATOM 0 HB3 GLN A 55 10.230 0.965 17.269 1.00 1.00 H new ATOM 0 HG2 GLN A 55 11.710 0.516 15.255 1.00 1.00 H new ATOM 0 HG3 GLN A 55 10.577 1.410 14.261 1.00 1.00 H new ATOM 0 HE21 GLN A 55 12.030 3.183 13.783 1.00 1.00 H new ATOM 0 HE22 GLN A 55 12.563 4.306 15.039 1.00 1.00 H new ATOM 840 N HIS A 56 7.366 -0.096 14.392 1.00 1.00 N ATOM 841 CA HIS A 56 6.696 -0.015 13.094 1.00 1.00 C ATOM 842 C HIS A 56 6.734 1.415 12.564 1.00 1.00 C ATOM 843 O HIS A 56 6.103 2.312 13.122 1.00 1.00 O ATOM 844 CB HIS A 56 5.241 -0.470 13.230 1.00 1.00 C ATOM 845 CG HIS A 56 4.496 0.490 14.114 1.00 1.00 C ATOM 846 ND1 HIS A 56 4.382 0.580 15.479 1.00 1.00 N flip ATOM 847 CD2 HIS A 56 3.744 1.538 13.602 1.00 1.00 C flip ATOM 848 CE1 HIS A 56 3.577 1.663 15.812 1.00 1.00 C flip ATOM 849 NE2 HIS A 56 3.219 2.206 14.645 1.00 1.00 N flip ATOM 0 H HIS A 56 6.753 0.045 15.195 1.00 1.00 H new ATOM 0 HA HIS A 56 7.217 -0.667 12.393 1.00 1.00 H new ATOM 0 HB2 HIS A 56 4.770 -0.517 12.248 1.00 1.00 H new ATOM 0 HB3 HIS A 56 5.201 -1.475 13.651 1.00 1.00 H new ATOM 0 HD2 HIS A 56 3.606 1.774 12.557 1.00 1.00 H new ATOM 0 HE1 HIS A 56 3.300 1.995 16.802 1.00 1.00 H new ATOM 0 HE2 HIS A 56 2.620 3.027 14.556 1.00 1.00 H new ATOM 857 N VAL A 57 7.481 1.620 11.482 1.00 1.00 N ATOM 858 CA VAL A 57 7.600 2.947 10.883 1.00 1.00 C ATOM 859 C VAL A 57 6.434 3.216 9.938 1.00 1.00 C ATOM 860 O VAL A 57 6.050 2.356 9.145 1.00 1.00 O ATOM 861 CB VAL A 57 8.915 3.075 10.117 1.00 1.00 C ATOM 862 CG1 VAL A 57 9.137 4.535 9.722 1.00 1.00 C ATOM 863 CG2 VAL A 57 10.071 2.610 11.003 1.00 1.00 C ATOM 0 H VAL A 57 8.010 0.890 11.005 1.00 1.00 H new ATOM 0 HA VAL A 57 7.583 3.681 11.689 1.00 1.00 H new ATOM 0 HB VAL A 57 8.871 2.457 9.220 1.00 1.00 H new ATOM 0 HG11 VAL A 57 10.076 4.625 9.175 1.00 1.00 H new ATOM 0 HG12 VAL A 57 8.315 4.870 9.089 1.00 1.00 H new ATOM 0 HG13 VAL A 57 9.179 5.152 10.619 1.00 1.00 H new ATOM 0 HG21 VAL A 57 11.009 2.702 10.455 1.00 1.00 H new ATOM 0 HG22 VAL A 57 10.113 3.227 11.900 1.00 1.00 H new ATOM 0 HG23 VAL A 57 9.917 1.569 11.286 1.00 1.00 H new ATOM 873 N GLN A 58 5.875 4.418 10.037 1.00 1.00 N ATOM 874 CA GLN A 58 4.744 4.820 9.199 1.00 1.00 C ATOM 875 C GLN A 58 5.198 5.727 8.062 1.00 1.00 C ATOM 876 O GLN A 58 5.929 6.694 8.273 1.00 1.00 O ATOM 877 CB GLN A 58 3.710 5.565 10.046 1.00 1.00 C ATOM 878 CG GLN A 58 3.019 4.582 10.989 1.00 1.00 C ATOM 879 CD GLN A 58 2.069 5.334 11.914 1.00 1.00 C ATOM 880 OE1 GLN A 58 0.787 5.111 11.836 1.00 1.00 O flip ATOM 881 NE2 GLN A 58 2.508 6.145 12.729 1.00 1.00 N flip ATOM 0 H GLN A 58 6.187 5.136 10.692 1.00 1.00 H new ATOM 0 HA GLN A 58 4.303 3.918 8.775 1.00 1.00 H new ATOM 0 HB2 GLN A 58 4.195 6.355 10.619 1.00 1.00 H new ATOM 0 HB3 GLN A 58 2.974 6.045 9.401 1.00 1.00 H new ATOM 0 HG2 GLN A 58 2.468 3.838 10.414 1.00 1.00 H new ATOM 0 HG3 GLN A 58 3.763 4.044 11.576 1.00 1.00 H new ATOM 0 HE21 GLN A 58 3.512 6.317 12.787 1.00 1.00 H new ATOM 0 HE22 GLN A 58 1.868 6.645 13.346 1.00 1.00 H new ATOM 890 N ASP A 59 4.738 5.407 6.855 1.00 1.00 N ATOM 891 CA ASP A 59 5.069 6.194 5.662 1.00 1.00 C ATOM 892 C ASP A 59 3.784 6.583 4.938 1.00 1.00 C ATOM 893 O ASP A 59 3.109 5.734 4.356 1.00 1.00 O ATOM 894 CB ASP A 59 5.961 5.380 4.719 1.00 1.00 C ATOM 895 CG ASP A 59 7.345 5.202 5.331 1.00 1.00 C ATOM 896 OD1 ASP A 59 7.663 5.936 6.254 1.00 1.00 O ATOM 897 OD2 ASP A 59 8.070 4.335 4.869 1.00 1.00 O ATOM 0 H ASP A 59 4.133 4.606 6.673 1.00 1.00 H new ATOM 0 HA ASP A 59 5.606 7.092 5.968 1.00 1.00 H new ATOM 0 HB2 ASP A 59 5.510 4.406 4.530 1.00 1.00 H new ATOM 0 HB3 ASP A 59 6.043 5.885 3.757 1.00 1.00 H new ATOM 902 N ILE A 60 3.444 7.869 4.986 1.00 1.00 N ATOM 903 CA ILE A 60 2.227 8.358 4.342 1.00 1.00 C ATOM 904 C ILE A 60 2.526 8.859 2.932 1.00 1.00 C ATOM 905 O ILE A 60 3.353 9.751 2.743 1.00 1.00 O ATOM 906 CB ILE A 60 1.627 9.494 5.172 1.00 1.00 C ATOM 907 CG1 ILE A 60 1.276 8.967 6.566 1.00 1.00 C ATOM 908 CG2 ILE A 60 0.360 10.010 4.488 1.00 1.00 C ATOM 909 CD1 ILE A 60 0.901 10.134 7.480 1.00 1.00 C ATOM 0 H ILE A 60 3.990 8.588 5.461 1.00 1.00 H new ATOM 0 HA ILE A 60 1.515 7.535 4.276 1.00 1.00 H new ATOM 0 HB ILE A 60 2.348 10.307 5.258 1.00 1.00 H new ATOM 0 HG12 ILE A 60 0.447 8.263 6.501 1.00 1.00 H new ATOM 0 HG13 ILE A 60 2.123 8.423 6.984 1.00 1.00 H new ATOM 0 HG21 ILE A 60 -0.068 10.820 5.079 1.00 1.00 H new ATOM 0 HG22 ILE A 60 0.608 10.379 3.493 1.00 1.00 H new ATOM 0 HG23 ILE A 60 -0.364 9.200 4.404 1.00 1.00 H new ATOM 0 HD11 ILE A 60 0.652 9.755 8.471 1.00 1.00 H new ATOM 0 HD12 ILE A 60 1.743 10.822 7.556 1.00 1.00 H new ATOM 0 HD13 ILE A 60 0.040 10.659 7.066 1.00 1.00 H new ATOM 921 N ILE A 61 1.847 8.277 1.939 1.00 1.00 N ATOM 922 CA ILE A 61 2.045 8.669 0.541 1.00 1.00 C ATOM 923 C ILE A 61 0.686 8.863 -0.151 1.00 1.00 C ATOM 924 O ILE A 61 -0.152 7.966 -0.103 1.00 1.00 O ATOM 925 CB ILE A 61 2.829 7.577 -0.193 1.00 1.00 C ATOM 926 CG1 ILE A 61 4.082 7.217 0.621 1.00 1.00 C ATOM 927 CG2 ILE A 61 3.241 8.096 -1.572 1.00 1.00 C ATOM 928 CD1 ILE A 61 4.845 6.075 -0.061 1.00 1.00 C ATOM 0 H ILE A 61 1.159 7.537 2.076 1.00 1.00 H new ATOM 0 HA ILE A 61 2.601 9.606 0.514 1.00 1.00 H new ATOM 0 HB ILE A 61 2.207 6.689 -0.310 1.00 1.00 H new ATOM 0 HG12 ILE A 61 4.727 8.090 0.715 1.00 1.00 H new ATOM 0 HG13 ILE A 61 3.797 6.922 1.631 1.00 1.00 H new ATOM 0 HG21 ILE A 61 3.800 7.323 -2.100 1.00 1.00 H new ATOM 0 HG22 ILE A 61 2.350 8.355 -2.144 1.00 1.00 H new ATOM 0 HG23 ILE A 61 3.867 8.981 -1.456 1.00 1.00 H new ATOM 0 HD11 ILE A 61 5.731 5.829 0.525 1.00 1.00 H new ATOM 0 HD12 ILE A 61 4.201 5.198 -0.132 1.00 1.00 H new ATOM 0 HD13 ILE A 61 5.146 6.385 -1.062 1.00 1.00 H new ATOM 940 N PRO A 62 0.433 9.995 -0.780 1.00 1.00 N ATOM 941 CA PRO A 62 -0.874 10.243 -1.459 1.00 1.00 C ATOM 942 C PRO A 62 -1.016 9.462 -2.765 1.00 1.00 C ATOM 943 O PRO A 62 -0.023 9.065 -3.376 1.00 1.00 O ATOM 944 CB PRO A 62 -0.873 11.757 -1.702 1.00 1.00 C ATOM 945 CG PRO A 62 0.572 12.114 -1.847 1.00 1.00 C ATOM 946 CD PRO A 62 1.342 11.152 -0.932 1.00 1.00 C ATOM 0 HA PRO A 62 -1.718 9.908 -0.857 1.00 1.00 H new ATOM 0 HB2 PRO A 62 -1.437 12.015 -2.598 1.00 1.00 H new ATOM 0 HB3 PRO A 62 -1.332 12.292 -0.871 1.00 1.00 H new ATOM 0 HG2 PRO A 62 0.897 12.011 -2.882 1.00 1.00 H new ATOM 0 HG3 PRO A 62 0.748 13.150 -1.559 1.00 1.00 H new ATOM 0 HD2 PRO A 62 2.293 10.856 -1.374 1.00 1.00 H new ATOM 0 HD3 PRO A 62 1.567 11.611 0.030 1.00 1.00 H new ATOM 954 N ILE A 63 -2.264 9.254 -3.189 1.00 1.00 N ATOM 955 CA ILE A 63 -2.548 8.530 -4.429 1.00 1.00 C ATOM 956 C ILE A 63 -2.917 9.512 -5.540 1.00 1.00 C ATOM 957 O ILE A 63 -3.927 10.210 -5.458 1.00 1.00 O ATOM 958 CB ILE A 63 -3.691 7.534 -4.194 1.00 1.00 C ATOM 959 CG1 ILE A 63 -3.204 6.434 -3.244 1.00 1.00 C ATOM 960 CG2 ILE A 63 -4.120 6.907 -5.522 1.00 1.00 C ATOM 961 CD1 ILE A 63 -4.394 5.598 -2.767 1.00 1.00 C ATOM 0 H ILE A 63 -3.094 9.577 -2.692 1.00 1.00 H new ATOM 0 HA ILE A 63 -1.657 7.982 -4.736 1.00 1.00 H new ATOM 0 HB ILE A 63 -4.543 8.055 -3.757 1.00 1.00 H new ATOM 0 HG12 ILE A 63 -2.480 5.797 -3.751 1.00 1.00 H new ATOM 0 HG13 ILE A 63 -2.694 6.878 -2.389 1.00 1.00 H new ATOM 0 HG21 ILE A 63 -4.932 6.201 -5.346 1.00 1.00 H new ATOM 0 HG22 ILE A 63 -4.460 7.689 -6.201 1.00 1.00 H new ATOM 0 HG23 ILE A 63 -3.274 6.383 -5.967 1.00 1.00 H new ATOM 0 HD11 ILE A 63 -4.043 4.817 -2.092 1.00 1.00 H new ATOM 0 HD12 ILE A 63 -5.102 6.239 -2.243 1.00 1.00 H new ATOM 0 HD13 ILE A 63 -4.885 5.141 -3.626 1.00 1.00 H new ATOM 973 N ASN A 64 -2.083 9.559 -6.574 1.00 1.00 N ATOM 974 CA ASN A 64 -2.316 10.458 -7.698 1.00 1.00 C ATOM 975 C ASN A 64 -1.311 10.182 -8.811 1.00 1.00 C ATOM 976 O ASN A 64 -0.776 9.082 -8.915 1.00 1.00 O ATOM 977 CB ASN A 64 -2.188 11.915 -7.244 1.00 1.00 C ATOM 978 CG ASN A 64 -0.757 12.199 -6.799 1.00 1.00 C ATOM 979 OD1 ASN A 64 0.102 11.321 -6.879 1.00 1.00 O ATOM 980 ND2 ASN A 64 -0.449 13.379 -6.336 1.00 1.00 N ATOM 0 H ASN A 64 -1.243 8.987 -6.657 1.00 1.00 H new ATOM 0 HA ASN A 64 -3.324 10.286 -8.075 1.00 1.00 H new ATOM 0 HB2 ASN A 64 -2.464 12.584 -8.059 1.00 1.00 H new ATOM 0 HB3 ASN A 64 -2.878 12.111 -6.424 1.00 1.00 H new ATOM 0 HD21 ASN A 64 0.506 13.577 -6.039 1.00 1.00 H new ATOM 0 HD22 ASN A 64 -1.164 14.104 -6.271 1.00 1.00 H new ATOM 987 N SER A 65 -1.064 11.183 -9.647 1.00 1.00 N ATOM 988 CA SER A 65 -0.125 11.024 -10.753 1.00 1.00 C ATOM 989 C SER A 65 1.281 10.694 -10.247 1.00 1.00 C ATOM 990 O SER A 65 1.972 9.852 -10.821 1.00 1.00 O ATOM 991 CB SER A 65 -0.083 12.302 -11.588 1.00 1.00 C ATOM 992 OG SER A 65 -1.381 12.566 -12.104 1.00 1.00 O ATOM 0 H SER A 65 -1.495 12.105 -9.583 1.00 1.00 H new ATOM 0 HA SER A 65 -0.470 10.193 -11.369 1.00 1.00 H new ATOM 0 HB2 SER A 65 0.256 13.139 -10.977 1.00 1.00 H new ATOM 0 HB3 SER A 65 0.631 12.194 -12.405 1.00 1.00 H new ATOM 0 HG SER A 65 -1.360 13.387 -12.639 1.00 1.00 H new ATOM 998 N HIS A 66 1.704 11.365 -9.178 1.00 1.00 N ATOM 999 CA HIS A 66 3.037 11.136 -8.615 1.00 1.00 C ATOM 1000 C HIS A 66 3.158 9.698 -8.092 1.00 1.00 C ATOM 1001 O HIS A 66 4.177 9.037 -8.293 1.00 1.00 O ATOM 1002 CB HIS A 66 3.306 12.184 -7.489 1.00 1.00 C ATOM 1003 CG HIS A 66 3.674 11.509 -6.186 1.00 1.00 C ATOM 1004 ND1 HIS A 66 2.910 10.877 -5.239 1.00 1.00 N flip ATOM 1005 CD2 HIS A 66 4.987 11.378 -5.762 1.00 1.00 C flip ATOM 1006 CE1 HIS A 66 3.729 10.348 -4.249 1.00 1.00 C flip ATOM 1007 NE2 HIS A 66 4.972 10.679 -4.611 1.00 1.00 N flip ATOM 0 H HIS A 66 1.150 12.066 -8.686 1.00 1.00 H new ATOM 0 HA HIS A 66 3.792 11.261 -9.391 1.00 1.00 H new ATOM 0 HB2 HIS A 66 4.111 12.851 -7.795 1.00 1.00 H new ATOM 0 HB3 HIS A 66 2.419 12.801 -7.344 1.00 1.00 H new ATOM 0 HD2 HIS A 66 5.862 11.765 -6.263 1.00 1.00 H new ATOM 0 HE1 HIS A 66 3.426 9.790 -3.375 1.00 1.00 H new ATOM 0 HE2 HIS A 66 5.807 10.432 -4.080 1.00 1.00 H new ATOM 1015 N PHE A 67 2.114 9.236 -7.409 1.00 1.00 N ATOM 1016 CA PHE A 67 2.092 7.893 -6.841 1.00 1.00 C ATOM 1017 C PHE A 67 1.426 6.916 -7.799 1.00 1.00 C ATOM 1018 O PHE A 67 0.295 7.125 -8.233 1.00 1.00 O ATOM 1019 CB PHE A 67 1.330 7.919 -5.507 1.00 1.00 C ATOM 1020 CG PHE A 67 0.976 6.510 -5.075 1.00 1.00 C ATOM 1021 CD1 PHE A 67 -0.176 5.901 -5.586 1.00 1.00 C ATOM 1022 CD2 PHE A 67 1.797 5.810 -4.182 1.00 1.00 C ATOM 1023 CE1 PHE A 67 -0.508 4.597 -5.208 1.00 1.00 C ATOM 1024 CE2 PHE A 67 1.462 4.503 -3.800 1.00 1.00 C ATOM 1025 CZ PHE A 67 0.310 3.898 -4.317 1.00 1.00 C ATOM 0 H PHE A 67 1.267 9.777 -7.235 1.00 1.00 H new ATOM 0 HA PHE A 67 3.117 7.563 -6.673 1.00 1.00 H new ATOM 0 HB2 PHE A 67 1.940 8.399 -4.742 1.00 1.00 H new ATOM 0 HB3 PHE A 67 0.422 8.514 -5.611 1.00 1.00 H new ATOM 0 HD1 PHE A 67 -0.810 6.440 -6.274 1.00 1.00 H new ATOM 0 HD2 PHE A 67 2.688 6.277 -3.788 1.00 1.00 H new ATOM 0 HE1 PHE A 67 -1.397 4.130 -5.605 1.00 1.00 H new ATOM 0 HE2 PHE A 67 2.092 3.964 -3.108 1.00 1.00 H new ATOM 0 HZ PHE A 67 0.054 2.890 -4.027 1.00 1.00 H new ATOM 1035 N ARG A 68 2.135 5.840 -8.118 1.00 1.00 N ATOM 1036 CA ARG A 68 1.604 4.820 -9.016 1.00 1.00 C ATOM 1037 C ARG A 68 1.840 3.426 -8.453 1.00 1.00 C ATOM 1038 O ARG A 68 2.885 3.142 -7.866 1.00 1.00 O ATOM 1039 CB ARG A 68 2.255 4.938 -10.390 1.00 1.00 C ATOM 1040 CG ARG A 68 1.753 6.201 -11.090 1.00 1.00 C ATOM 1041 CD ARG A 68 2.331 6.253 -12.503 1.00 1.00 C ATOM 1042 NE ARG A 68 3.764 6.535 -12.462 1.00 1.00 N ATOM 1043 CZ ARG A 68 4.480 6.630 -13.581 1.00 1.00 C ATOM 1044 NH1 ARG A 68 3.920 6.408 -14.740 1.00 1.00 N ATOM 1045 NH2 ARG A 68 5.747 6.938 -13.519 1.00 1.00 N ATOM 0 H ARG A 68 3.075 5.651 -7.770 1.00 1.00 H new ATOM 0 HA ARG A 68 0.530 4.978 -9.112 1.00 1.00 H new ATOM 0 HB2 ARG A 68 3.340 4.974 -10.288 1.00 1.00 H new ATOM 0 HB3 ARG A 68 2.020 4.060 -10.991 1.00 1.00 H new ATOM 0 HG2 ARG A 68 0.664 6.201 -11.129 1.00 1.00 H new ATOM 0 HG3 ARG A 68 2.052 7.086 -10.529 1.00 1.00 H new ATOM 0 HD2 ARG A 68 2.156 5.303 -13.009 1.00 1.00 H new ATOM 0 HD3 ARG A 68 1.820 7.022 -13.083 1.00 1.00 H new ATOM 0 HE ARG A 68 4.224 6.661 -11.561 1.00 1.00 H new ATOM 0 HH11 ARG A 68 2.932 6.161 -14.790 1.00 1.00 H new ATOM 0 HH12 ARG A 68 4.471 6.482 -15.595 1.00 1.00 H new ATOM 0 HH21 ARG A 68 6.187 7.106 -12.614 1.00 1.00 H new ATOM 0 HH22 ARG A 68 6.297 7.011 -14.375 1.00 1.00 H new ATOM 1059 N CYS A 69 0.851 2.560 -8.654 1.00 1.00 N ATOM 1060 CA CYS A 69 0.918 1.176 -8.188 1.00 1.00 C ATOM 1061 C CYS A 69 0.772 0.244 -9.383 1.00 1.00 C ATOM 1062 O CYS A 69 -0.297 0.170 -9.986 1.00 1.00 O ATOM 1063 CB CYS A 69 -0.212 0.905 -7.189 1.00 1.00 C ATOM 1064 SG CYS A 69 -0.343 -0.877 -6.891 1.00 1.00 S ATOM 0 H CYS A 69 -0.014 2.794 -9.141 1.00 1.00 H new ATOM 0 HA CYS A 69 1.875 1.004 -7.696 1.00 1.00 H new ATOM 0 HB2 CYS A 69 -0.017 1.427 -6.253 1.00 1.00 H new ATOM 0 HB3 CYS A 69 -1.155 1.290 -7.578 1.00 1.00 H new ATOM 0 HG CYS A 69 -1.300 -1.106 -6.042 1.00 1.00 H new ATOM 1070 N VAL A 70 1.850 -0.462 -9.729 1.00 1.00 N ATOM 1071 CA VAL A 70 1.823 -1.383 -10.875 1.00 1.00 C ATOM 1072 C VAL A 70 1.956 -2.825 -10.407 1.00 1.00 C ATOM 1073 O VAL A 70 2.883 -3.170 -9.675 1.00 1.00 O ATOM 1074 CB VAL A 70 2.962 -1.044 -11.845 1.00 1.00 C ATOM 1075 CG1 VAL A 70 2.714 0.332 -12.471 1.00 1.00 C ATOM 1076 CG2 VAL A 70 4.292 -1.017 -11.093 1.00 1.00 C ATOM 0 H VAL A 70 2.745 -0.418 -9.241 1.00 1.00 H new ATOM 0 HA VAL A 70 0.867 -1.270 -11.387 1.00 1.00 H new ATOM 0 HB VAL A 70 2.999 -1.803 -12.627 1.00 1.00 H new ATOM 0 HG11 VAL A 70 3.525 0.570 -13.160 1.00 1.00 H new ATOM 0 HG12 VAL A 70 1.769 0.320 -13.014 1.00 1.00 H new ATOM 0 HG13 VAL A 70 2.672 1.087 -11.686 1.00 1.00 H new ATOM 0 HG21 VAL A 70 5.097 -0.776 -11.787 1.00 1.00 H new ATOM 0 HG22 VAL A 70 4.251 -0.262 -10.308 1.00 1.00 H new ATOM 0 HG23 VAL A 70 4.478 -1.994 -10.647 1.00 1.00 H new ATOM 1086 N GLN A 71 1.013 -3.663 -10.833 1.00 1.00 N ATOM 1087 CA GLN A 71 1.013 -5.070 -10.454 1.00 1.00 C ATOM 1088 C GLN A 71 1.847 -5.894 -11.433 1.00 1.00 C ATOM 1089 O GLN A 71 1.491 -6.043 -12.601 1.00 1.00 O ATOM 1090 CB GLN A 71 -0.427 -5.586 -10.434 1.00 1.00 C ATOM 1091 CG GLN A 71 -0.463 -7.018 -9.902 1.00 1.00 C ATOM 1092 CD GLN A 71 -1.909 -7.472 -9.743 1.00 1.00 C ATOM 1093 OE1 GLN A 71 -2.344 -7.836 -8.569 1.00 1.00 O flip ATOM 1094 NE2 GLN A 71 -2.665 -7.486 -10.714 1.00 1.00 N flip ATOM 0 H GLN A 71 0.240 -3.390 -11.440 1.00 1.00 H new ATOM 0 HA GLN A 71 1.454 -5.169 -9.462 1.00 1.00 H new ATOM 0 HB2 GLN A 71 -1.044 -4.941 -9.808 1.00 1.00 H new ATOM 0 HB3 GLN A 71 -0.848 -5.552 -11.439 1.00 1.00 H new ATOM 0 HG2 GLN A 71 0.064 -7.683 -10.586 1.00 1.00 H new ATOM 0 HG3 GLN A 71 0.053 -7.073 -8.943 1.00 1.00 H new ATOM 0 HE21 GLN A 71 -2.322 -7.201 -11.631 1.00 1.00 H new ATOM 0 HE22 GLN A 71 -3.634 -7.783 -10.601 1.00 1.00 H new ATOM 1103 N GLU A 72 2.962 -6.423 -10.940 1.00 1.00 N ATOM 1104 CA GLU A 72 3.862 -7.233 -11.759 1.00 1.00 C ATOM 1105 C GLU A 72 3.996 -6.640 -13.158 1.00 1.00 C ATOM 1106 O GLU A 72 3.747 -7.312 -14.156 1.00 1.00 O ATOM 1107 CB GLU A 72 3.328 -8.661 -11.858 1.00 1.00 C ATOM 1108 CG GLU A 72 4.414 -9.579 -12.427 1.00 1.00 C ATOM 1109 CD GLU A 72 3.914 -11.019 -12.455 1.00 1.00 C ATOM 1110 OE1 GLU A 72 2.725 -11.216 -12.262 1.00 1.00 O ATOM 1111 OE2 GLU A 72 4.727 -11.903 -12.671 1.00 1.00 O ATOM 0 H GLU A 72 3.266 -6.306 -9.974 1.00 1.00 H new ATOM 0 HA GLU A 72 4.844 -7.242 -11.287 1.00 1.00 H new ATOM 0 HB2 GLU A 72 3.019 -9.013 -10.874 1.00 1.00 H new ATOM 0 HB3 GLU A 72 2.445 -8.686 -12.497 1.00 1.00 H new ATOM 0 HG2 GLU A 72 4.683 -9.259 -13.434 1.00 1.00 H new ATOM 0 HG3 GLU A 72 5.316 -9.510 -11.819 1.00 1.00 H new ATOM 1229 N ASP A 80 -5.776 -4.925 -12.331 1.00 1.00 N ATOM 1230 CA ASP A 80 -5.036 -5.431 -11.174 1.00 1.00 C ATOM 1231 C ASP A 80 -5.726 -6.672 -10.611 1.00 1.00 C ATOM 1232 O ASP A 80 -5.072 -7.644 -10.235 1.00 1.00 O ATOM 1233 CB ASP A 80 -4.966 -4.350 -10.090 1.00 1.00 C ATOM 1234 CG ASP A 80 -3.991 -3.250 -10.498 1.00 1.00 C ATOM 1235 OD1 ASP A 80 -3.181 -3.496 -11.377 1.00 1.00 O ATOM 1236 OD2 ASP A 80 -4.065 -2.177 -9.921 1.00 1.00 O ATOM 0 HA ASP A 80 -4.027 -5.695 -11.490 1.00 1.00 H new ATOM 0 HB2 ASP A 80 -5.956 -3.925 -9.927 1.00 1.00 H new ATOM 0 HB3 ASP A 80 -4.650 -4.793 -9.146 1.00 1.00 H new ATOM 1241 N ILE A 81 -7.052 -6.629 -10.556 1.00 1.00 N ATOM 1242 CA ILE A 81 -7.829 -7.751 -10.041 1.00 1.00 C ATOM 1243 C ILE A 81 -7.655 -8.981 -10.931 1.00 1.00 C ATOM 1244 O ILE A 81 -7.493 -10.097 -10.437 1.00 1.00 O ATOM 1245 CB ILE A 81 -9.309 -7.361 -9.969 1.00 1.00 C ATOM 1246 CG1 ILE A 81 -9.494 -6.291 -8.891 1.00 1.00 C ATOM 1247 CG2 ILE A 81 -10.161 -8.586 -9.617 1.00 1.00 C ATOM 1248 CD1 ILE A 81 -10.902 -5.705 -8.992 1.00 1.00 C ATOM 0 H ILE A 81 -7.611 -5.832 -10.861 1.00 1.00 H new ATOM 0 HA ILE A 81 -7.470 -7.997 -9.042 1.00 1.00 H new ATOM 0 HB ILE A 81 -9.625 -6.974 -10.938 1.00 1.00 H new ATOM 0 HG12 ILE A 81 -9.339 -6.724 -7.903 1.00 1.00 H new ATOM 0 HG13 ILE A 81 -8.751 -5.503 -9.014 1.00 1.00 H new ATOM 0 HG21 ILE A 81 -11.211 -8.297 -9.568 1.00 1.00 H new ATOM 0 HG22 ILE A 81 -10.030 -9.352 -10.381 1.00 1.00 H new ATOM 0 HG23 ILE A 81 -9.848 -8.981 -8.650 1.00 1.00 H new ATOM 0 HD11 ILE A 81 -11.035 -4.943 -8.224 1.00 1.00 H new ATOM 0 HD12 ILE A 81 -11.040 -5.257 -9.976 1.00 1.00 H new ATOM 0 HD13 ILE A 81 -11.637 -6.497 -8.848 1.00 1.00 H new ATOM 1260 N ALA A 82 -7.697 -8.765 -12.241 1.00 1.00 N ATOM 1261 CA ALA A 82 -7.553 -9.858 -13.199 1.00 1.00 C ATOM 1262 C ALA A 82 -6.399 -10.778 -12.811 1.00 1.00 C ATOM 1263 O ALA A 82 -6.315 -11.914 -13.281 1.00 1.00 O ATOM 1264 CB ALA A 82 -7.306 -9.292 -14.600 1.00 1.00 C ATOM 0 H ALA A 82 -7.829 -7.846 -12.664 1.00 1.00 H new ATOM 0 HA ALA A 82 -8.476 -10.438 -13.194 1.00 1.00 H new ATOM 0 HB1 ALA A 82 -7.199 -10.112 -15.310 1.00 1.00 H new ATOM 0 HB2 ALA A 82 -8.148 -8.665 -14.893 1.00 1.00 H new ATOM 0 HB3 ALA A 82 -6.394 -8.695 -14.596 1.00 1.00 H new ATOM 1270 N SER A 83 -5.508 -10.282 -11.952 1.00 1.00 N ATOM 1271 CA SER A 83 -4.355 -11.063 -11.499 1.00 1.00 C ATOM 1272 C SER A 83 -4.282 -11.063 -9.976 1.00 1.00 C ATOM 1273 O SER A 83 -4.136 -10.013 -9.349 1.00 1.00 O ATOM 1274 CB SER A 83 -3.071 -10.467 -12.079 1.00 1.00 C ATOM 1275 OG SER A 83 -2.974 -10.808 -13.456 1.00 1.00 O ATOM 0 H SER A 83 -5.562 -9.344 -11.556 1.00 1.00 H new ATOM 0 HA SER A 83 -4.466 -12.091 -11.845 1.00 1.00 H new ATOM 0 HB2 SER A 83 -3.074 -9.383 -11.960 1.00 1.00 H new ATOM 0 HB3 SER A 83 -2.204 -10.845 -11.537 1.00 1.00 H new ATOM 0 HG SER A 83 -2.153 -10.426 -13.831 1.00 1.00 H new ATOM 1281 N ASN A 84 -4.385 -12.253 -9.390 1.00 1.00 N ATOM 1282 CA ASN A 84 -4.334 -12.408 -7.939 1.00 1.00 C ATOM 1283 C ASN A 84 -3.491 -13.624 -7.580 1.00 1.00 C ATOM 1284 O ASN A 84 -2.788 -14.172 -8.429 1.00 1.00 O ATOM 1285 CB ASN A 84 -5.752 -12.573 -7.387 1.00 1.00 C ATOM 1286 CG ASN A 84 -6.561 -11.305 -7.640 1.00 1.00 C ATOM 1287 OD1 ASN A 84 -7.789 -11.363 -7.731 1.00 1.00 O ATOM 1288 ND2 ASN A 84 -5.949 -10.159 -7.765 1.00 1.00 N ATOM 0 H ASN A 84 -4.505 -13.128 -9.901 1.00 1.00 H new ATOM 0 HA ASN A 84 -3.882 -11.520 -7.498 1.00 1.00 H new ATOM 0 HB2 ASN A 84 -6.239 -13.425 -7.861 1.00 1.00 H new ATOM 0 HB3 ASN A 84 -5.713 -12.782 -6.318 1.00 1.00 H new ATOM 0 HD21 ASN A 84 -6.487 -9.310 -7.938 1.00 1.00 H new ATOM 0 HD22 ASN A 84 -4.933 -10.113 -7.689 1.00 1.00 H new ATOM 1295 N SER A 85 -3.558 -14.036 -6.320 1.00 1.00 N ATOM 1296 CA SER A 85 -2.787 -15.183 -5.856 1.00 1.00 C ATOM 1297 C SER A 85 -1.303 -14.822 -5.818 1.00 1.00 C ATOM 1298 O SER A 85 -0.588 -14.992 -6.806 1.00 1.00 O ATOM 1299 CB SER A 85 -3.017 -16.381 -6.784 1.00 1.00 C ATOM 1300 OG SER A 85 -4.362 -16.368 -7.241 1.00 1.00 O ATOM 0 H SER A 85 -4.135 -13.595 -5.604 1.00 1.00 H new ATOM 0 HA SER A 85 -3.114 -15.453 -4.852 1.00 1.00 H new ATOM 0 HB2 SER A 85 -2.332 -16.337 -7.631 1.00 1.00 H new ATOM 0 HB3 SER A 85 -2.809 -17.311 -6.255 1.00 1.00 H new ATOM 0 HG SER A 85 -4.964 -16.216 -6.483 1.00 1.00 H new ATOM 1306 N GLY A 86 -0.852 -14.298 -4.682 1.00 1.00 N ATOM 1307 CA GLY A 86 0.542 -13.891 -4.547 1.00 1.00 C ATOM 1308 C GLY A 86 0.835 -12.766 -5.526 1.00 1.00 C ATOM 1309 O GLY A 86 1.443 -12.979 -6.576 1.00 1.00 O ATOM 0 H GLY A 86 -1.424 -14.147 -3.851 1.00 1.00 H new ATOM 0 HA2 GLY A 86 0.739 -13.561 -3.527 1.00 1.00 H new ATOM 0 HA3 GLY A 86 1.200 -14.738 -4.741 1.00 1.00 H new ATOM 1313 N CYS A 87 0.359 -11.570 -5.186 1.00 1.00 N ATOM 1314 CA CYS A 87 0.524 -10.400 -6.052 1.00 1.00 C ATOM 1315 C CYS A 87 1.725 -9.542 -5.636 1.00 1.00 C ATOM 1316 O CYS A 87 1.937 -9.281 -4.452 1.00 1.00 O ATOM 1317 CB CYS A 87 -0.764 -9.529 -6.007 1.00 1.00 C ATOM 1318 SG CYS A 87 -2.105 -10.425 -5.178 1.00 1.00 S ATOM 0 H CYS A 87 -0.144 -11.384 -4.318 1.00 1.00 H new ATOM 0 HA CYS A 87 0.703 -10.764 -7.064 1.00 1.00 H new ATOM 0 HB2 CYS A 87 -0.562 -8.596 -5.481 1.00 1.00 H new ATOM 0 HB3 CYS A 87 -1.067 -9.264 -7.020 1.00 1.00 H new ATOM 1323 N LYS A 88 2.472 -9.067 -6.635 1.00 1.00 N ATOM 1324 CA LYS A 88 3.614 -8.184 -6.400 1.00 1.00 C ATOM 1325 C LYS A 88 3.304 -6.822 -7.006 1.00 1.00 C ATOM 1326 O LYS A 88 2.992 -6.726 -8.192 1.00 1.00 O ATOM 1327 CB LYS A 88 4.881 -8.735 -7.060 1.00 1.00 C ATOM 1328 CG LYS A 88 5.305 -10.047 -6.398 1.00 1.00 C ATOM 1329 CD LYS A 88 6.520 -10.605 -7.142 1.00 1.00 C ATOM 1330 CE LYS A 88 6.983 -11.909 -6.485 1.00 1.00 C ATOM 1331 NZ LYS A 88 8.167 -12.442 -7.219 1.00 1.00 N ATOM 0 H LYS A 88 2.305 -9.281 -7.618 1.00 1.00 H new ATOM 0 HA LYS A 88 3.784 -8.109 -5.326 1.00 1.00 H new ATOM 0 HB2 LYS A 88 4.702 -8.899 -8.123 1.00 1.00 H new ATOM 0 HB3 LYS A 88 5.686 -8.004 -6.981 1.00 1.00 H new ATOM 0 HG2 LYS A 88 5.549 -9.879 -5.349 1.00 1.00 H new ATOM 0 HG3 LYS A 88 4.485 -10.765 -6.423 1.00 1.00 H new ATOM 0 HD2 LYS A 88 6.266 -10.785 -8.187 1.00 1.00 H new ATOM 0 HD3 LYS A 88 7.330 -9.875 -7.132 1.00 1.00 H new ATOM 0 HE2 LYS A 88 7.239 -11.732 -5.440 1.00 1.00 H new ATOM 0 HE3 LYS A 88 6.175 -12.641 -6.496 1.00 1.00 H new ATOM 0 HZ1 LYS A 88 8.482 -13.327 -6.773 1.00 1.00 H new ATOM 0 HZ2 LYS A 88 7.908 -12.626 -8.209 1.00 1.00 H new ATOM 0 HZ3 LYS A 88 8.938 -11.745 -7.187 1.00 1.00 H new ATOM 1345 N ILE A 89 3.394 -5.770 -6.196 1.00 1.00 N ATOM 1346 CA ILE A 89 3.124 -4.406 -6.668 1.00 1.00 C ATOM 1347 C ILE A 89 4.327 -3.518 -6.392 1.00 1.00 C ATOM 1348 O ILE A 89 5.074 -3.752 -5.443 1.00 1.00 O ATOM 1349 CB ILE A 89 1.879 -3.829 -5.968 1.00 1.00 C ATOM 1350 CG1 ILE A 89 2.050 -3.883 -4.424 1.00 1.00 C ATOM 1351 CG2 ILE A 89 0.642 -4.640 -6.391 1.00 1.00 C ATOM 1352 CD1 ILE A 89 2.512 -2.519 -3.880 1.00 1.00 C ATOM 0 H ILE A 89 3.651 -5.831 -5.211 1.00 1.00 H new ATOM 0 HA ILE A 89 2.937 -4.439 -7.741 1.00 1.00 H new ATOM 0 HB ILE A 89 1.752 -2.787 -6.262 1.00 1.00 H new ATOM 0 HG12 ILE A 89 1.106 -4.165 -3.958 1.00 1.00 H new ATOM 0 HG13 ILE A 89 2.777 -4.651 -4.160 1.00 1.00 H new ATOM 0 HG21 ILE A 89 -0.243 -4.237 -5.899 1.00 1.00 H new ATOM 0 HG22 ILE A 89 0.517 -4.576 -7.472 1.00 1.00 H new ATOM 0 HG23 ILE A 89 0.774 -5.683 -6.102 1.00 1.00 H new ATOM 0 HD11 ILE A 89 2.626 -2.579 -2.798 1.00 1.00 H new ATOM 0 HD12 ILE A 89 3.468 -2.252 -4.331 1.00 1.00 H new ATOM 0 HD13 ILE A 89 1.770 -1.759 -4.126 1.00 1.00 H new ATOM 1364 N ARG A 90 4.517 -2.495 -7.228 1.00 1.00 N ATOM 1365 CA ARG A 90 5.644 -1.573 -7.063 1.00 1.00 C ATOM 1366 C ARG A 90 5.127 -0.154 -6.889 1.00 1.00 C ATOM 1367 O ARG A 90 4.092 0.211 -7.445 1.00 1.00 O ATOM 1368 CB ARG A 90 6.555 -1.635 -8.285 1.00 1.00 C ATOM 1369 CG ARG A 90 7.043 -3.067 -8.472 1.00 1.00 C ATOM 1370 CD ARG A 90 7.947 -3.139 -9.695 1.00 1.00 C ATOM 1371 NE ARG A 90 8.467 -4.495 -9.846 1.00 1.00 N ATOM 1372 CZ ARG A 90 7.814 -5.422 -10.541 1.00 1.00 C ATOM 1373 NH1 ARG A 90 6.709 -5.115 -11.169 1.00 1.00 N ATOM 1374 NH2 ARG A 90 8.281 -6.638 -10.603 1.00 1.00 N ATOM 0 H ARG A 90 3.910 -2.285 -8.021 1.00 1.00 H new ATOM 0 HA ARG A 90 6.211 -1.865 -6.179 1.00 1.00 H new ATOM 0 HB2 ARG A 90 6.017 -1.302 -9.172 1.00 1.00 H new ATOM 0 HB3 ARG A 90 7.403 -0.963 -8.156 1.00 1.00 H new ATOM 0 HG2 ARG A 90 7.585 -3.396 -7.586 1.00 1.00 H new ATOM 0 HG3 ARG A 90 6.194 -3.739 -8.594 1.00 1.00 H new ATOM 0 HD2 ARG A 90 7.391 -2.851 -10.587 1.00 1.00 H new ATOM 0 HD3 ARG A 90 8.771 -2.433 -9.592 1.00 1.00 H new ATOM 0 HE ARG A 90 9.355 -4.738 -9.407 1.00 1.00 H new ATOM 0 HH11 ARG A 90 6.346 -4.163 -11.127 1.00 1.00 H new ATOM 0 HH12 ARG A 90 6.210 -5.828 -11.701 1.00 1.00 H new ATOM 0 HH21 ARG A 90 9.146 -6.877 -10.119 1.00 1.00 H new ATOM 0 HH22 ARG A 90 7.781 -7.350 -11.136 1.00 1.00 H new ATOM 1388 N VAL A 91 5.848 0.639 -6.100 1.00 1.00 N ATOM 1389 CA VAL A 91 5.448 2.025 -5.833 1.00 1.00 C ATOM 1390 C VAL A 91 6.577 2.986 -6.185 1.00 1.00 C ATOM 1391 O VAL A 91 7.739 2.742 -5.863 1.00 1.00 O ATOM 1392 CB VAL A 91 5.092 2.176 -4.355 1.00 1.00 C ATOM 1393 CG1 VAL A 91 4.829 3.648 -4.020 1.00 1.00 C ATOM 1394 CG2 VAL A 91 3.845 1.338 -4.042 1.00 1.00 C ATOM 0 H VAL A 91 6.709 0.351 -5.635 1.00 1.00 H new ATOM 0 HA VAL A 91 4.581 2.264 -6.449 1.00 1.00 H new ATOM 0 HB VAL A 91 5.927 1.825 -3.749 1.00 1.00 H new ATOM 0 HG11 VAL A 91 4.576 3.741 -2.964 1.00 1.00 H new ATOM 0 HG12 VAL A 91 5.723 4.235 -4.233 1.00 1.00 H new ATOM 0 HG13 VAL A 91 4.001 4.016 -4.625 1.00 1.00 H new ATOM 0 HG21 VAL A 91 3.590 1.445 -2.988 1.00 1.00 H new ATOM 0 HG22 VAL A 91 3.012 1.683 -4.654 1.00 1.00 H new ATOM 0 HG23 VAL A 91 4.047 0.290 -4.262 1.00 1.00 H new ATOM 1404 N GLN A 92 6.220 4.085 -6.843 1.00 1.00 N ATOM 1405 CA GLN A 92 7.197 5.102 -7.238 1.00 1.00 C ATOM 1406 C GLN A 92 6.732 6.479 -6.783 1.00 1.00 C ATOM 1407 O GLN A 92 5.533 6.739 -6.683 1.00 1.00 O ATOM 1408 CB GLN A 92 7.365 5.098 -8.758 1.00 1.00 C ATOM 1409 CG GLN A 92 8.006 3.782 -9.196 1.00 1.00 C ATOM 1410 CD GLN A 92 8.141 3.750 -10.714 1.00 1.00 C ATOM 1411 OE1 GLN A 92 8.644 4.701 -11.313 1.00 1.00 O ATOM 1412 NE2 GLN A 92 7.715 2.710 -11.376 1.00 1.00 N ATOM 0 H GLN A 92 5.260 4.297 -7.116 1.00 1.00 H new ATOM 0 HA GLN A 92 8.153 4.873 -6.767 1.00 1.00 H new ATOM 0 HB2 GLN A 92 6.396 5.222 -9.242 1.00 1.00 H new ATOM 0 HB3 GLN A 92 7.986 5.938 -9.068 1.00 1.00 H new ATOM 0 HG2 GLN A 92 8.987 3.673 -8.733 1.00 1.00 H new ATOM 0 HG3 GLN A 92 7.399 2.942 -8.858 1.00 1.00 H new ATOM 0 HE21 GLN A 92 7.299 1.924 -10.877 1.00 1.00 H new ATOM 0 HE22 GLN A 92 7.798 2.683 -12.392 1.00 1.00 H new ATOM 1421 N GLY A 93 7.688 7.358 -6.506 1.00 1.00 N ATOM 1422 CA GLY A 93 7.368 8.708 -6.058 1.00 1.00 C ATOM 1423 C GLY A 93 8.539 9.650 -6.309 1.00 1.00 C ATOM 1424 O GLY A 93 9.668 9.211 -6.508 1.00 1.00 O ATOM 0 H GLY A 93 8.686 7.162 -6.583 1.00 1.00 H new ATOM 0 HA2 GLY A 93 6.484 9.071 -6.583 1.00 1.00 H new ATOM 0 HA3 GLY A 93 7.126 8.696 -4.995 1.00 1.00 H new ATOM 1483 N ARG A 97 12.426 6.333 -4.353 1.00 1.00 N ATOM 1484 CA ARG A 97 12.868 5.625 -5.559 1.00 1.00 C ATOM 1485 C ARG A 97 12.029 4.376 -5.786 1.00 1.00 C ATOM 1486 O ARG A 97 10.933 4.245 -5.242 1.00 1.00 O ATOM 1487 CB ARG A 97 14.350 5.247 -5.439 1.00 1.00 C ATOM 1488 CG ARG A 97 14.549 4.243 -4.301 1.00 1.00 C ATOM 1489 CD ARG A 97 16.041 3.946 -4.137 1.00 1.00 C ATOM 1490 NE ARG A 97 16.231 2.947 -3.092 1.00 1.00 N ATOM 1491 CZ ARG A 97 16.349 3.296 -1.813 1.00 1.00 C ATOM 1492 NH1 ARG A 97 16.369 4.556 -1.476 1.00 1.00 N ATOM 1493 NH2 ARG A 97 16.453 2.375 -0.896 1.00 1.00 N ATOM 0 HA ARG A 97 12.739 6.290 -6.413 1.00 1.00 H new ATOM 0 HB2 ARG A 97 14.701 4.818 -6.378 1.00 1.00 H new ATOM 0 HB3 ARG A 97 14.947 6.140 -5.254 1.00 1.00 H new ATOM 0 HG2 ARG A 97 14.143 4.645 -3.372 1.00 1.00 H new ATOM 0 HG3 ARG A 97 14.006 3.323 -4.515 1.00 1.00 H new ATOM 0 HD2 ARG A 97 16.455 3.585 -5.078 1.00 1.00 H new ATOM 0 HD3 ARG A 97 16.578 4.860 -3.882 1.00 1.00 H new ATOM 0 HE ARG A 97 16.274 1.960 -3.346 1.00 1.00 H new ATOM 0 HH11 ARG A 97 16.294 5.277 -2.194 1.00 1.00 H new ATOM 0 HH12 ARG A 97 16.460 4.820 -0.495 1.00 1.00 H new ATOM 0 HH21 ARG A 97 16.444 1.390 -1.159 1.00 1.00 H new ATOM 0 HH22 ARG A 97 16.544 2.640 0.085 1.00 1.00 H new ATOM 1507 N GLU A 98 12.542 3.459 -6.596 1.00 1.00 N ATOM 1508 CA GLU A 98 11.818 2.230 -6.883 1.00 1.00 C ATOM 1509 C GLU A 98 11.694 1.386 -5.617 1.00 1.00 C ATOM 1510 O GLU A 98 12.686 1.104 -4.944 1.00 1.00 O ATOM 1511 CB GLU A 98 12.544 1.435 -7.971 1.00 1.00 C ATOM 1512 CG GLU A 98 11.676 0.256 -8.423 1.00 1.00 C ATOM 1513 CD GLU A 98 10.474 0.763 -9.214 1.00 1.00 C ATOM 1514 OE1 GLU A 98 10.432 1.949 -9.496 1.00 1.00 O ATOM 1515 OE2 GLU A 98 9.614 -0.044 -9.527 1.00 1.00 O ATOM 0 H GLU A 98 13.446 3.542 -7.061 1.00 1.00 H new ATOM 0 HA GLU A 98 10.819 2.485 -7.237 1.00 1.00 H new ATOM 0 HB2 GLU A 98 12.765 2.082 -8.820 1.00 1.00 H new ATOM 0 HB3 GLU A 98 13.499 1.071 -7.591 1.00 1.00 H new ATOM 0 HG2 GLU A 98 12.265 -0.425 -9.038 1.00 1.00 H new ATOM 0 HG3 GLU A 98 11.338 -0.310 -7.555 1.00 1.00 H new ATOM 1522 N ARG A 99 10.464 0.985 -5.307 1.00 1.00 N ATOM 1523 CA ARG A 99 10.183 0.161 -4.129 1.00 1.00 C ATOM 1524 C ARG A 99 9.390 -1.067 -4.564 1.00 1.00 C ATOM 1525 O ARG A 99 8.555 -0.977 -5.462 1.00 1.00 O ATOM 1526 CB ARG A 99 9.364 0.968 -3.118 1.00 1.00 C ATOM 1527 CG ARG A 99 10.174 2.175 -2.638 1.00 1.00 C ATOM 1528 CD ARG A 99 9.304 3.044 -1.728 1.00 1.00 C ATOM 1529 NE ARG A 99 8.981 2.323 -0.504 1.00 1.00 N ATOM 1530 CZ ARG A 99 8.155 2.839 0.401 1.00 1.00 C ATOM 1531 NH1 ARG A 99 7.604 4.005 0.195 1.00 1.00 N ATOM 1532 NH2 ARG A 99 7.894 2.179 1.495 1.00 1.00 N ATOM 0 H ARG A 99 9.638 1.218 -5.859 1.00 1.00 H new ATOM 0 HA ARG A 99 11.119 -0.148 -3.664 1.00 1.00 H new ATOM 0 HB2 ARG A 99 8.433 1.302 -3.575 1.00 1.00 H new ATOM 0 HB3 ARG A 99 9.095 0.339 -2.270 1.00 1.00 H new ATOM 0 HG2 ARG A 99 11.061 1.840 -2.100 1.00 1.00 H new ATOM 0 HG3 ARG A 99 10.520 2.757 -3.492 1.00 1.00 H new ATOM 0 HD2 ARG A 99 9.828 3.969 -1.487 1.00 1.00 H new ATOM 0 HD3 ARG A 99 8.387 3.323 -2.247 1.00 1.00 H new ATOM 0 HE ARG A 99 9.396 1.406 -0.338 1.00 1.00 H new ATOM 0 HH11 ARG A 99 7.807 4.521 -0.661 1.00 1.00 H new ATOM 0 HH12 ARG A 99 6.970 4.400 0.890 1.00 1.00 H new ATOM 0 HH21 ARG A 99 8.323 1.268 1.656 1.00 1.00 H new ATOM 0 HH22 ARG A 99 7.260 2.574 2.190 1.00 1.00 H new ATOM 1546 N ARG A 100 9.659 -2.217 -3.941 1.00 1.00 N ATOM 1547 CA ARG A 100 8.964 -3.461 -4.299 1.00 1.00 C ATOM 1548 C ARG A 100 8.205 -4.035 -3.103 1.00 1.00 C ATOM 1549 O ARG A 100 8.692 -4.011 -1.974 1.00 1.00 O ATOM 1550 CB ARG A 100 9.979 -4.484 -4.812 1.00 1.00 C ATOM 1551 CG ARG A 100 10.524 -4.024 -6.169 1.00 1.00 C ATOM 1552 CD ARG A 100 11.594 -5.006 -6.652 1.00 1.00 C ATOM 1553 NE ARG A 100 12.050 -4.644 -7.994 1.00 1.00 N ATOM 1554 CZ ARG A 100 13.089 -5.256 -8.557 1.00 1.00 C ATOM 1555 NH1 ARG A 100 13.858 -6.028 -7.839 1.00 1.00 N ATOM 1556 NH2 ARG A 100 13.369 -5.051 -9.816 1.00 1.00 N ATOM 0 H ARG A 100 10.346 -2.315 -3.193 1.00 1.00 H new ATOM 0 HA ARG A 100 8.239 -3.237 -5.082 1.00 1.00 H new ATOM 0 HB2 ARG A 100 10.795 -4.593 -4.098 1.00 1.00 H new ATOM 0 HB3 ARG A 100 9.508 -5.462 -4.909 1.00 1.00 H new ATOM 0 HG2 ARG A 100 9.714 -3.966 -6.897 1.00 1.00 H new ATOM 0 HG3 ARG A 100 10.947 -3.023 -6.082 1.00 1.00 H new ATOM 0 HD2 ARG A 100 12.437 -5.003 -5.961 1.00 1.00 H new ATOM 0 HD3 ARG A 100 11.191 -6.019 -6.659 1.00 1.00 H new ATOM 0 HE ARG A 100 11.563 -3.909 -8.507 1.00 1.00 H new ATOM 0 HH11 ARG A 100 13.663 -6.162 -6.847 1.00 1.00 H new ATOM 0 HH12 ARG A 100 14.655 -6.497 -8.270 1.00 1.00 H new ATOM 0 HH21 ARG A 100 12.791 -4.420 -10.371 1.00 1.00 H new ATOM 0 HH22 ARG A 100 14.166 -5.522 -10.244 1.00 1.00 H new ATOM 1570 N PHE A 101 7.001 -4.548 -3.373 1.00 1.00 N ATOM 1571 CA PHE A 101 6.153 -5.129 -2.327 1.00 1.00 C ATOM 1572 C PHE A 101 5.552 -6.454 -2.800 1.00 1.00 C ATOM 1573 O PHE A 101 5.328 -6.650 -3.995 1.00 1.00 O ATOM 1574 CB PHE A 101 5.019 -4.163 -1.985 1.00 1.00 C ATOM 1575 CG PHE A 101 5.573 -2.919 -1.334 1.00 1.00 C ATOM 1576 CD1 PHE A 101 5.892 -2.921 0.027 1.00 1.00 C ATOM 1577 CD2 PHE A 101 5.764 -1.760 -2.097 1.00 1.00 C ATOM 1578 CE1 PHE A 101 6.402 -1.764 0.629 1.00 1.00 C ATOM 1579 CE2 PHE A 101 6.274 -0.605 -1.496 1.00 1.00 C ATOM 1580 CZ PHE A 101 6.593 -0.606 -0.134 1.00 1.00 C ATOM 0 H PHE A 101 6.591 -4.573 -4.307 1.00 1.00 H new ATOM 0 HA PHE A 101 6.768 -5.308 -1.445 1.00 1.00 H new ATOM 0 HB2 PHE A 101 4.473 -3.896 -2.890 1.00 1.00 H new ATOM 0 HB3 PHE A 101 4.308 -4.647 -1.315 1.00 1.00 H new ATOM 0 HD1 PHE A 101 5.745 -3.815 0.615 1.00 1.00 H new ATOM 0 HD2 PHE A 101 5.518 -1.758 -3.149 1.00 1.00 H new ATOM 0 HE1 PHE A 101 6.648 -1.765 1.681 1.00 1.00 H new ATOM 0 HE2 PHE A 101 6.422 0.289 -2.084 1.00 1.00 H new ATOM 0 HZ PHE A 101 6.987 0.287 0.329 1.00 1.00 H new ATOM 1590 N GLU A 102 5.291 -7.361 -1.856 1.00 1.00 N ATOM 1591 CA GLU A 102 4.714 -8.669 -2.188 1.00 1.00 C ATOM 1592 C GLU A 102 3.763 -9.144 -1.093 1.00 1.00 C ATOM 1593 O GLU A 102 4.074 -9.056 0.088 1.00 1.00 O ATOM 1594 CB GLU A 102 5.840 -9.693 -2.375 1.00 1.00 C ATOM 1595 CG GLU A 102 5.253 -11.069 -2.709 1.00 1.00 C ATOM 1596 CD GLU A 102 6.379 -12.054 -2.999 1.00 1.00 C ATOM 1597 OE1 GLU A 102 7.517 -11.724 -2.704 1.00 1.00 O ATOM 1598 OE2 GLU A 102 6.092 -13.121 -3.515 1.00 1.00 O ATOM 0 H GLU A 102 5.468 -7.217 -0.862 1.00 1.00 H new ATOM 0 HA GLU A 102 4.146 -8.570 -3.113 1.00 1.00 H new ATOM 0 HB2 GLU A 102 6.506 -9.370 -3.175 1.00 1.00 H new ATOM 0 HB3 GLU A 102 6.439 -9.756 -1.467 1.00 1.00 H new ATOM 0 HG2 GLU A 102 4.648 -11.428 -1.876 1.00 1.00 H new ATOM 0 HG3 GLU A 102 4.593 -10.993 -3.573 1.00 1.00 H new ATOM 1605 N ILE A 103 2.603 -9.666 -1.498 1.00 1.00 N ATOM 1606 CA ILE A 103 1.608 -10.175 -0.549 1.00 1.00 C ATOM 1607 C ILE A 103 1.271 -11.633 -0.894 1.00 1.00 C ATOM 1608 O ILE A 103 0.515 -11.881 -1.835 1.00 1.00 O ATOM 1609 CB ILE A 103 0.340 -9.320 -0.628 1.00 1.00 C ATOM 1610 CG1 ILE A 103 0.650 -7.904 -0.108 1.00 1.00 C ATOM 1611 CG2 ILE A 103 -0.760 -9.953 0.233 1.00 1.00 C ATOM 1612 CD1 ILE A 103 -0.366 -6.910 -0.664 1.00 1.00 C ATOM 0 H ILE A 103 2.329 -9.748 -2.477 1.00 1.00 H new ATOM 0 HA ILE A 103 2.012 -10.127 0.462 1.00 1.00 H new ATOM 0 HB ILE A 103 0.000 -9.264 -1.662 1.00 1.00 H new ATOM 0 HG12 ILE A 103 0.623 -7.894 0.982 1.00 1.00 H new ATOM 0 HG13 ILE A 103 1.657 -7.611 -0.404 1.00 1.00 H new ATOM 0 HG21 ILE A 103 -1.662 -9.344 0.176 1.00 1.00 H new ATOM 0 HG22 ILE A 103 -0.976 -10.957 -0.133 1.00 1.00 H new ATOM 0 HG23 ILE A 103 -0.425 -10.009 1.269 1.00 1.00 H new ATOM 0 HD11 ILE A 103 -0.139 -5.911 -0.291 1.00 1.00 H new ATOM 0 HD12 ILE A 103 -0.317 -6.911 -1.753 1.00 1.00 H new ATOM 0 HD13 ILE A 103 -1.368 -7.197 -0.346 1.00 1.00 H new ATOM 1624 N PRO A 104 1.819 -12.607 -0.190 1.00 1.00 N ATOM 1625 CA PRO A 104 1.550 -14.043 -0.499 1.00 1.00 C ATOM 1626 C PRO A 104 0.149 -14.485 -0.075 1.00 1.00 C ATOM 1627 O PRO A 104 -0.299 -15.574 -0.434 1.00 1.00 O ATOM 1628 CB PRO A 104 2.647 -14.800 0.266 1.00 1.00 C ATOM 1629 CG PRO A 104 3.014 -13.913 1.412 1.00 1.00 C ATOM 1630 CD PRO A 104 2.736 -12.468 0.965 1.00 1.00 C ATOM 0 HA PRO A 104 1.574 -14.239 -1.571 1.00 1.00 H new ATOM 0 HB2 PRO A 104 2.286 -15.767 0.617 1.00 1.00 H new ATOM 0 HB3 PRO A 104 3.509 -14.994 -0.372 1.00 1.00 H new ATOM 0 HG2 PRO A 104 2.428 -14.163 2.297 1.00 1.00 H new ATOM 0 HG3 PRO A 104 4.063 -14.040 1.678 1.00 1.00 H new ATOM 0 HD2 PRO A 104 2.280 -11.886 1.766 1.00 1.00 H new ATOM 0 HD3 PRO A 104 3.656 -11.956 0.682 1.00 1.00 H new ATOM 1638 N ASP A 105 -0.540 -13.635 0.681 1.00 1.00 N ATOM 1639 CA ASP A 105 -1.891 -13.954 1.137 1.00 1.00 C ATOM 1640 C ASP A 105 -2.905 -13.491 0.099 1.00 1.00 C ATOM 1641 O ASP A 105 -3.153 -12.301 -0.055 1.00 1.00 O ATOM 1642 CB ASP A 105 -2.153 -13.267 2.481 1.00 1.00 C ATOM 1643 CG ASP A 105 -1.395 -13.984 3.594 1.00 1.00 C ATOM 1644 OD1 ASP A 105 -0.953 -15.098 3.362 1.00 1.00 O ATOM 1645 OD2 ASP A 105 -1.267 -13.409 4.660 1.00 1.00 O ATOM 0 H ASP A 105 -0.190 -12.728 0.989 1.00 1.00 H new ATOM 0 HA ASP A 105 -1.989 -15.032 1.266 1.00 1.00 H new ATOM 0 HB2 ASP A 105 -1.841 -12.224 2.432 1.00 1.00 H new ATOM 0 HB3 ASP A 105 -3.221 -13.270 2.698 1.00 1.00 H new ATOM 1650 N GLU A 106 -3.463 -14.453 -0.628 1.00 1.00 N ATOM 1651 CA GLU A 106 -4.425 -14.157 -1.684 1.00 1.00 C ATOM 1652 C GLU A 106 -5.665 -13.447 -1.146 1.00 1.00 C ATOM 1653 O GLU A 106 -6.046 -12.395 -1.654 1.00 1.00 O ATOM 1654 CB GLU A 106 -4.841 -15.460 -2.372 1.00 1.00 C ATOM 1655 CG GLU A 106 -5.757 -15.158 -3.560 1.00 1.00 C ATOM 1656 CD GLU A 106 -6.128 -16.457 -4.267 1.00 1.00 C ATOM 1657 OE1 GLU A 106 -5.874 -17.508 -3.703 1.00 1.00 O ATOM 1658 OE2 GLU A 106 -6.658 -16.381 -5.363 1.00 1.00 O ATOM 0 H GLU A 106 -3.265 -15.446 -0.505 1.00 1.00 H new ATOM 0 HA GLU A 106 -3.943 -13.488 -2.396 1.00 1.00 H new ATOM 0 HB2 GLU A 106 -3.957 -15.999 -2.712 1.00 1.00 H new ATOM 0 HB3 GLU A 106 -5.355 -16.107 -1.662 1.00 1.00 H new ATOM 0 HG2 GLU A 106 -6.658 -14.650 -3.217 1.00 1.00 H new ATOM 0 HG3 GLU A 106 -5.256 -14.484 -4.256 1.00 1.00 H new ATOM 1665 N GLU A 107 -6.300 -14.019 -0.128 1.00 1.00 N ATOM 1666 CA GLU A 107 -7.505 -13.412 0.427 1.00 1.00 C ATOM 1667 C GLU A 107 -7.246 -11.959 0.813 1.00 1.00 C ATOM 1668 O GLU A 107 -8.071 -11.083 0.554 1.00 1.00 O ATOM 1669 CB GLU A 107 -7.994 -14.208 1.643 1.00 1.00 C ATOM 1670 CG GLU A 107 -6.993 -14.092 2.794 1.00 1.00 C ATOM 1671 CD GLU A 107 -7.412 -15.019 3.932 1.00 1.00 C ATOM 1672 OE1 GLU A 107 -7.862 -16.115 3.641 1.00 1.00 O ATOM 1673 OE2 GLU A 107 -7.273 -14.620 5.076 1.00 1.00 O ATOM 0 H GLU A 107 -6.008 -14.886 0.323 1.00 1.00 H new ATOM 0 HA GLU A 107 -8.282 -13.432 -0.337 1.00 1.00 H new ATOM 0 HB2 GLU A 107 -8.968 -13.836 1.961 1.00 1.00 H new ATOM 0 HB3 GLU A 107 -8.125 -15.255 1.371 1.00 1.00 H new ATOM 0 HG2 GLU A 107 -5.993 -14.354 2.448 1.00 1.00 H new ATOM 0 HG3 GLU A 107 -6.948 -13.062 3.148 1.00 1.00 H new ATOM 1680 N HIS A 108 -6.093 -11.708 1.417 1.00 1.00 N ATOM 1681 CA HIS A 108 -5.730 -10.356 1.815 1.00 1.00 C ATOM 1682 C HIS A 108 -5.438 -9.497 0.587 1.00 1.00 C ATOM 1683 O HIS A 108 -5.724 -8.300 0.572 1.00 1.00 O ATOM 1684 CB HIS A 108 -4.492 -10.393 2.709 1.00 1.00 C ATOM 1685 CG HIS A 108 -4.825 -10.992 4.054 1.00 1.00 C ATOM 1686 ND1 HIS A 108 -6.017 -11.207 4.707 1.00 1.00 N flip ATOM 1687 CD2 HIS A 108 -3.840 -11.451 4.916 1.00 1.00 C flip ATOM 1688 CE1 HIS A 108 -5.775 -11.788 5.947 1.00 1.00 C flip ATOM 1689 NE2 HIS A 108 -4.449 -11.913 6.023 1.00 1.00 N flip ATOM 0 H HIS A 108 -5.397 -12.419 1.641 1.00 1.00 H new ATOM 0 HA HIS A 108 -6.566 -9.922 2.363 1.00 1.00 H new ATOM 0 HB2 HIS A 108 -3.707 -10.978 2.229 1.00 1.00 H new ATOM 0 HB3 HIS A 108 -4.102 -9.384 2.841 1.00 1.00 H new ATOM 0 HD2 HIS A 108 -2.776 -11.440 4.732 1.00 1.00 H new ATOM 0 HE1 HIS A 108 -6.504 -12.076 6.690 1.00 1.00 H new ATOM 0 HE2 HIS A 108 -3.957 -12.310 6.823 1.00 1.00 H new ATOM 1697 N CYS A 109 -4.860 -10.119 -0.436 1.00 1.00 N ATOM 1698 CA CYS A 109 -4.521 -9.407 -1.662 1.00 1.00 C ATOM 1699 C CYS A 109 -5.780 -8.950 -2.395 1.00 1.00 C ATOM 1700 O CYS A 109 -5.785 -7.908 -3.045 1.00 1.00 O ATOM 1701 CB CYS A 109 -3.662 -10.307 -2.572 1.00 1.00 C ATOM 1702 SG CYS A 109 -2.518 -9.296 -3.549 1.00 1.00 S ATOM 0 H CYS A 109 -4.618 -11.110 -0.440 1.00 1.00 H new ATOM 0 HA CYS A 109 -3.947 -8.519 -1.398 1.00 1.00 H new ATOM 0 HB2 CYS A 109 -3.103 -11.021 -1.967 1.00 1.00 H new ATOM 0 HB3 CYS A 109 -4.305 -10.886 -3.235 1.00 1.00 H new ATOM 1707 N LEU A 110 -6.846 -9.736 -2.300 1.00 1.00 N ATOM 1708 CA LEU A 110 -8.086 -9.380 -2.981 1.00 1.00 C ATOM 1709 C LEU A 110 -8.655 -8.075 -2.454 1.00 1.00 C ATOM 1710 O LEU A 110 -9.061 -7.213 -3.232 1.00 1.00 O ATOM 1711 CB LEU A 110 -9.130 -10.480 -2.780 1.00 1.00 C ATOM 1712 CG LEU A 110 -8.708 -11.764 -3.506 1.00 1.00 C ATOM 1713 CD1 LEU A 110 -9.668 -12.901 -3.125 1.00 1.00 C ATOM 1714 CD2 LEU A 110 -8.738 -11.546 -5.032 1.00 1.00 C ATOM 0 H LEU A 110 -6.879 -10.607 -1.770 1.00 1.00 H new ATOM 0 HA LEU A 110 -7.854 -9.264 -4.040 1.00 1.00 H new ATOM 0 HB2 LEU A 110 -9.254 -10.681 -1.716 1.00 1.00 H new ATOM 0 HB3 LEU A 110 -10.097 -10.144 -3.155 1.00 1.00 H new ATOM 0 HG LEU A 110 -7.693 -12.027 -3.209 1.00 1.00 H new ATOM 0 HD11 LEU A 110 -9.371 -13.815 -3.639 1.00 1.00 H new ATOM 0 HD12 LEU A 110 -9.632 -13.062 -2.048 1.00 1.00 H new ATOM 0 HD13 LEU A 110 -10.683 -12.633 -3.418 1.00 1.00 H new ATOM 0 HD21 LEU A 110 -8.437 -12.464 -5.537 1.00 1.00 H new ATOM 0 HD22 LEU A 110 -9.748 -11.277 -5.341 1.00 1.00 H new ATOM 0 HD23 LEU A 110 -8.051 -10.743 -5.298 1.00 1.00 H new ATOM 1726 N LYS A 111 -8.698 -7.929 -1.139 1.00 1.00 N ATOM 1727 CA LYS A 111 -9.238 -6.712 -0.559 1.00 1.00 C ATOM 1728 C LYS A 111 -8.332 -5.527 -0.861 1.00 1.00 C ATOM 1729 O LYS A 111 -8.795 -4.438 -1.203 1.00 1.00 O ATOM 1730 CB LYS A 111 -9.395 -6.855 0.956 1.00 1.00 C ATOM 1731 CG LYS A 111 -10.498 -7.867 1.258 1.00 1.00 C ATOM 1732 CD LYS A 111 -10.650 -8.025 2.771 1.00 1.00 C ATOM 1733 CE LYS A 111 -11.739 -9.059 3.061 1.00 1.00 C ATOM 1734 NZ LYS A 111 -11.900 -9.220 4.533 1.00 1.00 N ATOM 0 H LYS A 111 -8.373 -8.623 -0.466 1.00 1.00 H new ATOM 0 HA LYS A 111 -10.218 -6.539 -1.004 1.00 1.00 H new ATOM 0 HB2 LYS A 111 -8.455 -7.181 1.401 1.00 1.00 H new ATOM 0 HB3 LYS A 111 -9.640 -5.890 1.400 1.00 1.00 H new ATOM 0 HG2 LYS A 111 -11.440 -7.535 0.821 1.00 1.00 H new ATOM 0 HG3 LYS A 111 -10.257 -8.828 0.804 1.00 1.00 H new ATOM 0 HD2 LYS A 111 -9.705 -8.341 3.213 1.00 1.00 H new ATOM 0 HD3 LYS A 111 -10.910 -7.068 3.224 1.00 1.00 H new ATOM 0 HE2 LYS A 111 -12.682 -8.743 2.615 1.00 1.00 H new ATOM 0 HE3 LYS A 111 -11.476 -10.015 2.608 1.00 1.00 H new ATOM 0 HZ1 LYS A 111 -12.641 -9.924 4.726 1.00 1.00 H new ATOM 0 HZ2 LYS A 111 -11.002 -9.541 4.947 1.00 1.00 H new ATOM 0 HZ3 LYS A 111 -12.170 -8.308 4.954 1.00 1.00 H new ATOM 1748 N PHE A 112 -7.033 -5.761 -0.722 1.00 1.00 N ATOM 1749 CA PHE A 112 -6.030 -4.733 -0.966 1.00 1.00 C ATOM 1750 C PHE A 112 -6.081 -4.237 -2.407 1.00 1.00 C ATOM 1751 O PHE A 112 -6.089 -3.031 -2.655 1.00 1.00 O ATOM 1752 CB PHE A 112 -4.644 -5.325 -0.667 1.00 1.00 C ATOM 1753 CG PHE A 112 -3.551 -4.409 -1.185 1.00 1.00 C ATOM 1754 CD1 PHE A 112 -3.314 -3.170 -0.574 1.00 1.00 C ATOM 1755 CD2 PHE A 112 -2.782 -4.800 -2.289 1.00 1.00 C ATOM 1756 CE1 PHE A 112 -2.306 -2.330 -1.067 1.00 1.00 C ATOM 1757 CE2 PHE A 112 -1.780 -3.962 -2.782 1.00 1.00 C ATOM 1758 CZ PHE A 112 -1.541 -2.727 -2.173 1.00 1.00 C ATOM 0 H PHE A 112 -6.647 -6.662 -0.439 1.00 1.00 H new ATOM 0 HA PHE A 112 -6.231 -3.881 -0.317 1.00 1.00 H new ATOM 0 HB2 PHE A 112 -4.527 -5.468 0.407 1.00 1.00 H new ATOM 0 HB3 PHE A 112 -4.554 -6.307 -1.131 1.00 1.00 H new ATOM 0 HD1 PHE A 112 -3.907 -2.863 0.275 1.00 1.00 H new ATOM 0 HD2 PHE A 112 -2.965 -5.754 -2.761 1.00 1.00 H new ATOM 0 HE1 PHE A 112 -2.119 -1.377 -0.595 1.00 1.00 H new ATOM 0 HE2 PHE A 112 -1.190 -4.268 -3.633 1.00 1.00 H new ATOM 0 HZ PHE A 112 -0.767 -2.078 -2.555 1.00 1.00 H new ATOM 1768 N LEU A 113 -6.099 -5.168 -3.351 1.00 1.00 N ATOM 1769 CA LEU A 113 -6.127 -4.797 -4.759 1.00 1.00 C ATOM 1770 C LEU A 113 -7.426 -4.085 -5.120 1.00 1.00 C ATOM 1771 O LEU A 113 -7.416 -3.114 -5.871 1.00 1.00 O ATOM 1772 CB LEU A 113 -5.942 -6.040 -5.627 1.00 1.00 C ATOM 1773 CG LEU A 113 -4.513 -6.580 -5.453 1.00 1.00 C ATOM 1774 CD1 LEU A 113 -4.398 -7.926 -6.171 1.00 1.00 C ATOM 1775 CD2 LEU A 113 -3.481 -5.584 -6.032 1.00 1.00 C ATOM 0 H LEU A 113 -6.095 -6.172 -3.172 1.00 1.00 H new ATOM 0 HA LEU A 113 -5.307 -4.104 -4.945 1.00 1.00 H new ATOM 0 HB2 LEU A 113 -6.667 -6.804 -5.346 1.00 1.00 H new ATOM 0 HB3 LEU A 113 -6.125 -5.796 -6.673 1.00 1.00 H new ATOM 0 HG LEU A 113 -4.305 -6.708 -4.391 1.00 1.00 H new ATOM 0 HD11 LEU A 113 -3.387 -8.316 -6.053 1.00 1.00 H new ATOM 0 HD12 LEU A 113 -5.111 -8.630 -5.742 1.00 1.00 H new ATOM 0 HD13 LEU A 113 -4.614 -7.792 -7.231 1.00 1.00 H new ATOM 0 HD21 LEU A 113 -2.476 -5.984 -5.900 1.00 1.00 H new ATOM 0 HD22 LEU A 113 -3.675 -5.435 -7.094 1.00 1.00 H new ATOM 0 HD23 LEU A 113 -3.564 -4.630 -5.511 1.00 1.00 H new ATOM 1787 N SER A 114 -8.538 -4.571 -4.586 1.00 1.00 N ATOM 1788 CA SER A 114 -9.835 -3.966 -4.872 1.00 1.00 C ATOM 1789 C SER A 114 -9.907 -2.533 -4.341 1.00 1.00 C ATOM 1790 O SER A 114 -10.402 -1.634 -5.022 1.00 1.00 O ATOM 1791 CB SER A 114 -10.940 -4.798 -4.227 1.00 1.00 C ATOM 1792 OG SER A 114 -10.721 -4.866 -2.825 1.00 1.00 O ATOM 0 H SER A 114 -8.571 -5.374 -3.958 1.00 1.00 H new ATOM 0 HA SER A 114 -9.967 -3.940 -5.954 1.00 1.00 H new ATOM 0 HB2 SER A 114 -11.913 -4.353 -4.433 1.00 1.00 H new ATOM 0 HB3 SER A 114 -10.952 -5.801 -4.654 1.00 1.00 H new ATOM 0 HG SER A 114 -9.759 -4.828 -2.642 1.00 1.00 H new ATOM 1798 N ALA A 115 -9.429 -2.335 -3.119 1.00 1.00 N ATOM 1799 CA ALA A 115 -9.460 -1.011 -2.496 1.00 1.00 C ATOM 1800 C ALA A 115 -8.529 -0.032 -3.221 1.00 1.00 C ATOM 1801 O ALA A 115 -8.938 1.070 -3.587 1.00 1.00 O ATOM 1802 CB ALA A 115 -9.062 -1.133 -1.014 1.00 1.00 C ATOM 0 H ALA A 115 -9.017 -3.067 -2.540 1.00 1.00 H new ATOM 0 HA ALA A 115 -10.473 -0.616 -2.569 1.00 1.00 H new ATOM 0 HB1 ALA A 115 -9.085 -0.147 -0.549 1.00 1.00 H new ATOM 0 HB2 ALA A 115 -9.763 -1.792 -0.502 1.00 1.00 H new ATOM 0 HB3 ALA A 115 -8.056 -1.546 -0.940 1.00 1.00 H new ATOM 1808 N VAL A 116 -7.281 -0.441 -3.422 1.00 1.00 N ATOM 1809 CA VAL A 116 -6.298 0.408 -4.100 1.00 1.00 C ATOM 1810 C VAL A 116 -6.702 0.650 -5.550 1.00 1.00 C ATOM 1811 O VAL A 116 -6.584 1.766 -6.058 1.00 1.00 O ATOM 1812 CB VAL A 116 -4.914 -0.244 -4.047 1.00 1.00 C ATOM 1813 CG1 VAL A 116 -3.924 0.564 -4.890 1.00 1.00 C ATOM 1814 CG2 VAL A 116 -4.421 -0.278 -2.599 1.00 1.00 C ATOM 0 H VAL A 116 -6.924 -1.350 -3.128 1.00 1.00 H new ATOM 0 HA VAL A 116 -6.262 1.368 -3.585 1.00 1.00 H new ATOM 0 HB VAL A 116 -4.985 -1.258 -4.440 1.00 1.00 H new ATOM 0 HG11 VAL A 116 -2.941 0.094 -4.847 1.00 1.00 H new ATOM 0 HG12 VAL A 116 -4.267 0.595 -5.924 1.00 1.00 H new ATOM 0 HG13 VAL A 116 -3.858 1.579 -4.499 1.00 1.00 H new ATOM 0 HG21 VAL A 116 -3.436 -0.742 -2.561 1.00 1.00 H new ATOM 0 HG22 VAL A 116 -4.358 0.739 -2.212 1.00 1.00 H new ATOM 0 HG23 VAL A 116 -5.118 -0.855 -1.991 1.00 1.00 H new ATOM 1824 N LEU A 117 -7.169 -0.397 -6.214 1.00 1.00 N ATOM 1825 CA LEU A 117 -7.576 -0.279 -7.606 1.00 1.00 C ATOM 1826 C LEU A 117 -8.657 0.779 -7.745 1.00 1.00 C ATOM 1827 O LEU A 117 -8.614 1.607 -8.649 1.00 1.00 O ATOM 1828 CB LEU A 117 -8.120 -1.626 -8.099 1.00 1.00 C ATOM 1829 CG LEU A 117 -8.722 -1.482 -9.506 1.00 1.00 C ATOM 1830 CD1 LEU A 117 -7.682 -0.891 -10.461 1.00 1.00 C ATOM 1831 CD2 LEU A 117 -9.154 -2.862 -10.004 1.00 1.00 C ATOM 0 H LEU A 117 -7.275 -1.330 -5.816 1.00 1.00 H new ATOM 0 HA LEU A 117 -6.711 0.010 -8.204 1.00 1.00 H new ATOM 0 HB2 LEU A 117 -7.319 -2.365 -8.114 1.00 1.00 H new ATOM 0 HB3 LEU A 117 -8.879 -1.993 -7.408 1.00 1.00 H new ATOM 0 HG LEU A 117 -9.584 -0.816 -9.469 1.00 1.00 H new ATOM 0 HD11 LEU A 117 -8.116 -0.792 -11.456 1.00 1.00 H new ATOM 0 HD12 LEU A 117 -7.373 0.090 -10.101 1.00 1.00 H new ATOM 0 HD13 LEU A 117 -6.815 -1.550 -10.507 1.00 1.00 H new ATOM 0 HD21 LEU A 117 -9.583 -2.771 -11.002 1.00 1.00 H new ATOM 0 HD22 LEU A 117 -8.288 -3.523 -10.040 1.00 1.00 H new ATOM 0 HD23 LEU A 117 -9.899 -3.277 -9.325 1.00 1.00 H new ATOM 1843 N ALA A 118 -9.625 0.737 -6.851 1.00 1.00 N ATOM 1844 CA ALA A 118 -10.717 1.694 -6.892 1.00 1.00 C ATOM 1845 C ALA A 118 -10.182 3.115 -6.767 1.00 1.00 C ATOM 1846 O ALA A 118 -10.662 4.028 -7.438 1.00 1.00 O ATOM 1847 CB ALA A 118 -11.703 1.407 -5.760 1.00 1.00 C ATOM 0 H ALA A 118 -9.680 0.057 -6.093 1.00 1.00 H new ATOM 0 HA ALA A 118 -11.231 1.597 -7.848 1.00 1.00 H new ATOM 0 HB1 ALA A 118 -12.519 2.128 -5.797 1.00 1.00 H new ATOM 0 HB2 ALA A 118 -12.104 0.400 -5.873 1.00 1.00 H new ATOM 0 HB3 ALA A 118 -11.190 1.488 -4.802 1.00 1.00 H new ATOM 1853 N ALA A 119 -9.186 3.296 -5.910 1.00 1.00 N ATOM 1854 CA ALA A 119 -8.601 4.614 -5.719 1.00 1.00 C ATOM 1855 C ALA A 119 -7.870 5.078 -6.979 1.00 1.00 C ATOM 1856 O ALA A 119 -8.052 6.205 -7.430 1.00 1.00 O ATOM 1857 CB ALA A 119 -7.625 4.588 -4.542 1.00 1.00 C ATOM 0 H ALA A 119 -8.771 2.556 -5.343 1.00 1.00 H new ATOM 0 HA ALA A 119 -9.409 5.315 -5.509 1.00 1.00 H new ATOM 0 HB1 ALA A 119 -7.192 5.579 -4.407 1.00 1.00 H new ATOM 0 HB2 ALA A 119 -8.156 4.297 -3.636 1.00 1.00 H new ATOM 0 HB3 ALA A 119 -6.831 3.869 -4.744 1.00 1.00 H new ATOM 1863 N GLN A 120 -7.037 4.204 -7.543 1.00 1.00 N ATOM 1864 CA GLN A 120 -6.278 4.548 -8.748 1.00 1.00 C ATOM 1865 C GLN A 120 -7.205 4.707 -9.957 1.00 1.00 C ATOM 1866 O GLN A 120 -7.033 5.620 -10.763 1.00 1.00 O ATOM 1867 CB GLN A 120 -5.222 3.467 -9.027 1.00 1.00 C ATOM 1868 CG GLN A 120 -4.000 3.678 -8.121 1.00 1.00 C ATOM 1869 CD GLN A 120 -3.144 4.821 -8.656 1.00 1.00 C ATOM 1870 OE1 GLN A 120 -3.280 5.211 -9.816 1.00 1.00 O ATOM 1871 NE2 GLN A 120 -2.260 5.381 -7.877 1.00 1.00 N ATOM 0 H GLN A 120 -6.870 3.261 -7.190 1.00 1.00 H new ATOM 0 HA GLN A 120 -5.779 5.502 -8.578 1.00 1.00 H new ATOM 0 HB2 GLN A 120 -5.647 2.479 -8.853 1.00 1.00 H new ATOM 0 HB3 GLN A 120 -4.920 3.504 -10.074 1.00 1.00 H new ATOM 0 HG2 GLN A 120 -4.325 3.901 -7.105 1.00 1.00 H new ATOM 0 HG3 GLN A 120 -3.410 2.763 -8.073 1.00 1.00 H new ATOM 0 HE21 GLN A 120 -2.149 5.057 -6.916 1.00 1.00 H new ATOM 0 HE22 GLN A 120 -1.680 6.143 -8.229 1.00 1.00 H new ATOM 1880 N LYS A 121 -8.184 3.822 -10.072 1.00 1.00 N ATOM 1881 CA LYS A 121 -9.130 3.875 -11.173 1.00 1.00 C ATOM 1882 C LYS A 121 -9.899 5.189 -11.141 1.00 1.00 C ATOM 1883 O LYS A 121 -10.097 5.833 -12.173 1.00 1.00 O ATOM 1884 CB LYS A 121 -10.094 2.702 -11.034 1.00 1.00 C ATOM 1885 CG LYS A 121 -11.055 2.651 -12.215 1.00 1.00 C ATOM 1886 CD LYS A 121 -11.997 1.477 -11.995 1.00 1.00 C ATOM 1887 CE LYS A 121 -13.008 1.391 -13.136 1.00 1.00 C ATOM 1888 NZ LYS A 121 -12.311 1.114 -14.425 1.00 1.00 N ATOM 0 H LYS A 121 -8.343 3.058 -9.415 1.00 1.00 H new ATOM 0 HA LYS A 121 -8.599 3.813 -12.123 1.00 1.00 H new ATOM 0 HB2 LYS A 121 -9.533 1.769 -10.975 1.00 1.00 H new ATOM 0 HB3 LYS A 121 -10.656 2.795 -10.105 1.00 1.00 H new ATOM 0 HG2 LYS A 121 -11.616 3.582 -12.292 1.00 1.00 H new ATOM 0 HG3 LYS A 121 -10.507 2.531 -13.149 1.00 1.00 H new ATOM 0 HD2 LYS A 121 -11.427 0.550 -11.934 1.00 1.00 H new ATOM 0 HD3 LYS A 121 -12.519 1.593 -11.045 1.00 1.00 H new ATOM 0 HE2 LYS A 121 -13.733 0.603 -12.930 1.00 1.00 H new ATOM 0 HE3 LYS A 121 -13.565 2.325 -13.209 1.00 1.00 H new ATOM 0 HZ1 LYS A 121 -13.003 0.792 -15.132 1.00 1.00 H new ATOM 0 HZ2 LYS A 121 -11.849 1.982 -14.763 1.00 1.00 H new ATOM 0 HZ3 LYS A 121 -11.594 0.374 -14.280 1.00 1.00 H new ATOM 1902 N ALA A 122 -10.328 5.578 -9.947 1.00 1.00 N ATOM 1903 CA ALA A 122 -11.080 6.820 -9.778 1.00 1.00 C ATOM 1904 C ALA A 122 -10.254 8.032 -10.215 1.00 1.00 C ATOM 1905 O ALA A 122 -10.775 8.940 -10.860 1.00 1.00 O ATOM 1906 CB ALA A 122 -11.484 6.989 -8.311 1.00 1.00 C ATOM 0 H ALA A 122 -10.171 5.057 -9.085 1.00 1.00 H new ATOM 0 HA ALA A 122 -11.970 6.761 -10.405 1.00 1.00 H new ATOM 0 HB1 ALA A 122 -12.044 7.917 -8.192 1.00 1.00 H new ATOM 0 HB2 ALA A 122 -12.106 6.148 -8.006 1.00 1.00 H new ATOM 0 HB3 ALA A 122 -10.590 7.023 -7.689 1.00 1.00 H new ATOM 1912 N GLN A 123 -8.970 8.048 -9.862 1.00 1.00 N ATOM 1913 CA GLN A 123 -8.106 9.168 -10.234 1.00 1.00 C ATOM 1914 C GLN A 123 -7.937 9.237 -11.747 1.00 1.00 C ATOM 1915 O GLN A 123 -7.943 10.319 -12.334 1.00 1.00 O ATOM 1916 CB GLN A 123 -6.732 9.028 -9.570 1.00 1.00 C ATOM 1917 CG GLN A 123 -6.867 9.170 -8.050 1.00 1.00 C ATOM 1918 CD GLN A 123 -7.295 10.587 -7.683 1.00 1.00 C ATOM 1919 OE1 GLN A 123 -6.746 11.558 -8.206 1.00 1.00 O ATOM 1920 NE2 GLN A 123 -8.242 10.764 -6.805 1.00 1.00 N ATOM 0 H GLN A 123 -8.510 7.311 -9.327 1.00 1.00 H new ATOM 0 HA GLN A 123 -8.578 10.088 -9.888 1.00 1.00 H new ATOM 0 HB2 GLN A 123 -6.297 8.059 -9.816 1.00 1.00 H new ATOM 0 HB3 GLN A 123 -6.053 9.789 -9.956 1.00 1.00 H new ATOM 0 HG2 GLN A 123 -7.599 8.454 -7.675 1.00 1.00 H new ATOM 0 HG3 GLN A 123 -5.917 8.935 -7.571 1.00 1.00 H new ATOM 0 HE21 GLN A 123 -8.695 9.958 -6.374 1.00 1.00 H new ATOM 0 HE22 GLN A 123 -8.530 11.708 -6.549 1.00 1.00 H new ATOM 1929 N SER A 124 -7.788 8.076 -12.375 1.00 1.00 N ATOM 1930 CA SER A 124 -7.621 8.019 -13.821 1.00 1.00 C ATOM 1931 C SER A 124 -8.933 8.350 -14.523 1.00 1.00 C ATOM 1932 O SER A 124 -9.972 7.986 -13.994 1.00 1.00 O ATOM 1933 CB SER A 124 -7.155 6.625 -14.240 1.00 1.00 C ATOM 1934 OG SER A 124 -6.763 6.651 -15.606 1.00 1.00 O ATOM 1935 OXT SER A 124 -8.883 8.960 -15.577 1.00 1.00 O ATOM 0 H SER A 124 -7.779 7.169 -11.909 1.00 1.00 H new ATOM 0 HA SER A 124 -6.870 8.754 -14.110 1.00 1.00 H new ATOM 0 HB2 SER A 124 -6.320 6.305 -13.616 1.00 1.00 H new ATOM 0 HB3 SER A 124 -7.957 5.902 -14.094 1.00 1.00 H new ATOM 0 HG SER A 124 -6.462 5.759 -15.877 1.00 1.00 H new