USER MOD reduce.3.24.130724 H: found=0, std=0, add=382, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 379 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 5 GLN :FLIP amide:sc= 0.876 F(o=-1.3,f=1.5) USER MOD Set 1.2: A 15 GLN :FLIP amide:sc= 0.656 F(o=-3.5!,f=1.5) USER MOD Set 2.1: A 8 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 9 SER OG : rot -40:sc= 0.13 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot -100:sc= -1.98! USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.493 K(o=-0.49,f=-3.2!) USER MOD Single : A 19 TYR OH : rot -140:sc= 0.0543 USER MOD Single : A 21 ASN : amide:sc= -0.231 X(o=-0.23,f=-0.042) USER MOD Single : B 1 PHE N :NH3+ -175:sc= 0.654 (180deg=0.547) USER MOD Single : B 3 ASN : amide:sc= -2.42! C(o=-2.4!,f=-4.8!) USER MOD Single : B 4 GLN : amide:sc= -0.0642 X(o=-0.064,f=-0.49) USER MOD Single : B 5 HIS : no HD1:sc= -0.496 X(o=-0.5,f=-0.27) USER MOD Single : B 9 SER OG : rot 180:sc= 0.0308 USER MOD Single : B 10 HIS : no HD1:sc= -0.253 X(o=-0.25,f=-0.086) USER MOD Single : B 16 HIS :FLIP no HD1:sc= -2.14 F(o=-5!,f=-2.1) USER MOD Single : B 26 TYR OH : rot 180:sc= -1.98! USER MOD Single : B 27 THR OG1 : rot -64:sc= 0.123 USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot -66:sc= 1.09 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.011 7.958 6.128 1.00 0.00 N ATOM 2 CA GLY A 1 -3.241 6.516 6.438 1.00 0.00 C ATOM 3 C GLY A 1 -1.908 5.770 6.422 1.00 0.00 C ATOM 4 O GLY A 1 -0.930 6.204 6.997 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.919 8.465 6.139 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.376 8.370 6.842 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.577 8.046 5.187 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.714 6.414 7.415 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.922 6.080 5.707 1.00 0.00 H new ATOM 10 N ILE A 2 -1.867 4.646 5.765 1.00 0.00 N ATOM 11 CA ILE A 2 -0.608 3.857 5.699 1.00 0.00 C ATOM 12 C ILE A 2 0.512 4.740 5.135 1.00 0.00 C ATOM 13 O ILE A 2 1.661 4.604 5.503 1.00 0.00 O ATOM 14 CB ILE A 2 -0.855 2.623 4.809 1.00 0.00 C ATOM 15 CG1 ILE A 2 -0.408 1.358 5.548 1.00 0.00 C ATOM 16 CG2 ILE A 2 -0.101 2.725 3.480 1.00 0.00 C ATOM 17 CD1 ILE A 2 -1.077 0.130 4.915 1.00 0.00 C ATOM 0 H ILE A 2 -2.658 4.237 5.267 1.00 0.00 H new ATOM 0 HA ILE A 2 -0.304 3.521 6.690 1.00 0.00 H new ATOM 0 HB ILE A 2 -1.922 2.576 4.592 1.00 0.00 H new ATOM 0 HG12 ILE A 2 0.676 1.260 5.499 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -0.675 1.427 6.603 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -0.300 1.837 2.880 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -0.435 3.611 2.939 1.00 0.00 H new ATOM 0 HG23 ILE A 2 0.969 2.800 3.674 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -0.758 -0.770 5.441 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -2.160 0.228 4.987 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -0.788 0.058 3.866 1.00 0.00 H new ATOM 29 N VAL A 3 0.178 5.634 4.241 1.00 0.00 N ATOM 30 CA VAL A 3 1.212 6.531 3.640 1.00 0.00 C ATOM 31 C VAL A 3 2.221 6.942 4.713 1.00 0.00 C ATOM 32 O VAL A 3 3.395 7.109 4.445 1.00 0.00 O ATOM 33 CB VAL A 3 0.532 7.777 3.079 1.00 0.00 C ATOM 34 CG1 VAL A 3 1.582 8.697 2.455 1.00 0.00 C ATOM 35 CG2 VAL A 3 -0.486 7.367 2.010 1.00 0.00 C ATOM 0 H VAL A 3 -0.771 5.783 3.899 1.00 0.00 H new ATOM 0 HA VAL A 3 1.731 6.004 2.840 1.00 0.00 H new ATOM 0 HB VAL A 3 0.021 8.304 3.885 1.00 0.00 H new ATOM 0 HG11 VAL A 3 1.095 9.586 2.055 1.00 0.00 H new ATOM 0 HG12 VAL A 3 2.306 8.991 3.215 1.00 0.00 H new ATOM 0 HG13 VAL A 3 2.095 8.171 1.650 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -0.971 8.257 1.610 1.00 0.00 H new ATOM 0 HG22 VAL A 3 0.025 6.839 1.205 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.237 6.713 2.454 1.00 0.00 H new ATOM 45 N GLU A 4 1.773 7.105 5.928 1.00 0.00 N ATOM 46 CA GLU A 4 2.703 7.497 7.024 1.00 0.00 C ATOM 47 C GLU A 4 3.350 6.235 7.603 1.00 0.00 C ATOM 48 O GLU A 4 3.390 6.038 8.802 1.00 0.00 O ATOM 49 CB GLU A 4 1.924 8.223 8.122 1.00 0.00 C ATOM 50 CG GLU A 4 2.612 9.551 8.444 1.00 0.00 C ATOM 51 CD GLU A 4 2.513 10.484 7.236 1.00 0.00 C ATOM 52 OE1 GLU A 4 1.401 10.764 6.819 1.00 0.00 O ATOM 53 OE2 GLU A 4 3.550 10.902 6.748 1.00 0.00 O ATOM 0 H GLU A 4 0.800 6.983 6.209 1.00 0.00 H new ATOM 0 HA GLU A 4 3.474 8.161 6.633 1.00 0.00 H new ATOM 0 HB2 GLU A 4 0.899 8.402 7.798 1.00 0.00 H new ATOM 0 HB3 GLU A 4 1.872 7.602 9.016 1.00 0.00 H new ATOM 0 HG2 GLU A 4 2.144 10.013 9.313 1.00 0.00 H new ATOM 0 HG3 GLU A 4 3.658 9.378 8.699 1.00 0.00 H new ATOM 60 N GLN A 5 3.852 5.382 6.755 1.00 0.00 N ATOM 61 CA GLN A 5 4.494 4.127 7.238 1.00 0.00 C ATOM 62 C GLN A 5 5.023 3.341 6.038 1.00 0.00 C ATOM 63 O GLN A 5 6.033 2.669 6.115 1.00 0.00 O ATOM 64 CB GLN A 5 3.458 3.281 7.986 1.00 0.00 C ATOM 65 CG GLN A 5 3.802 3.250 9.476 1.00 0.00 C ATOM 66 CD GLN A 5 2.608 2.712 10.264 1.00 0.00 C ATOM 67 OE1 GLN A 5 2.169 3.378 11.297 1.00 0.00 O flip ATOM 68 NE2 GLN A 5 2.067 1.674 9.938 1.00 0.00 N flip ATOM 0 H GLN A 5 3.845 5.501 5.742 1.00 0.00 H new ATOM 0 HA GLN A 5 5.317 4.369 7.910 1.00 0.00 H new ATOM 0 HB2 GLN A 5 2.461 3.697 7.841 1.00 0.00 H new ATOM 0 HB3 GLN A 5 3.442 2.268 7.585 1.00 0.00 H new ATOM 0 HG2 GLN A 5 4.676 2.621 9.645 1.00 0.00 H new ATOM 0 HG3 GLN A 5 4.058 4.251 9.822 1.00 0.00 H new ATOM 0 HE21 GLN A 5 2.409 1.152 9.131 1.00 0.00 H new ATOM 0 HE22 GLN A 5 1.271 1.324 10.471 1.00 0.00 H new ATOM 77 N CYS A 6 4.347 3.427 4.924 1.00 0.00 N ATOM 78 CA CYS A 6 4.798 2.697 3.710 1.00 0.00 C ATOM 79 C CYS A 6 5.608 3.647 2.824 1.00 0.00 C ATOM 80 O CYS A 6 6.499 3.237 2.108 1.00 0.00 O ATOM 81 CB CYS A 6 3.574 2.201 2.943 1.00 0.00 C ATOM 82 SG CYS A 6 2.987 0.652 3.676 1.00 0.00 S ATOM 0 H CYS A 6 3.496 3.976 4.805 1.00 0.00 H new ATOM 0 HA CYS A 6 5.419 1.848 3.995 1.00 0.00 H new ATOM 0 HB2 CYS A 6 2.784 2.952 2.973 1.00 0.00 H new ATOM 0 HB3 CYS A 6 3.827 2.046 1.894 1.00 0.00 H new ATOM 87 N CYS A 7 5.301 4.914 2.870 1.00 0.00 N ATOM 88 CA CYS A 7 6.051 5.895 2.037 1.00 0.00 C ATOM 89 C CYS A 7 7.216 6.465 2.851 1.00 0.00 C ATOM 90 O CYS A 7 8.218 6.887 2.310 1.00 0.00 O ATOM 91 CB CYS A 7 5.111 7.032 1.624 1.00 0.00 C ATOM 92 SG CYS A 7 6.071 8.391 0.907 1.00 0.00 S ATOM 0 H CYS A 7 4.562 5.313 3.449 1.00 0.00 H new ATOM 0 HA CYS A 7 6.438 5.400 1.146 1.00 0.00 H new ATOM 0 HB2 CYS A 7 4.381 6.668 0.900 1.00 0.00 H new ATOM 0 HB3 CYS A 7 4.552 7.387 2.490 1.00 0.00 H new ATOM 97 N THR A 8 7.089 6.483 4.150 1.00 0.00 N ATOM 98 CA THR A 8 8.184 7.028 5.003 1.00 0.00 C ATOM 99 C THR A 8 9.336 6.025 5.067 1.00 0.00 C ATOM 100 O THR A 8 10.393 6.313 5.591 1.00 0.00 O ATOM 101 CB THR A 8 7.652 7.282 6.414 1.00 0.00 C ATOM 102 OG1 THR A 8 7.095 6.082 6.930 1.00 0.00 O ATOM 103 CG2 THR A 8 6.577 8.369 6.368 1.00 0.00 C ATOM 0 H THR A 8 6.273 6.143 4.658 1.00 0.00 H new ATOM 0 HA THR A 8 8.543 7.963 4.574 1.00 0.00 H new ATOM 0 HB THR A 8 8.468 7.610 7.058 1.00 0.00 H new ATOM 0 HG1 THR A 8 6.755 6.242 7.835 1.00 0.00 H new ATOM 0 HG21 THR A 8 6.199 8.549 7.374 1.00 0.00 H new ATOM 0 HG22 THR A 8 7.007 9.289 5.972 1.00 0.00 H new ATOM 0 HG23 THR A 8 5.759 8.044 5.725 1.00 0.00 H new ATOM 111 N SER A 9 9.141 4.847 4.540 1.00 0.00 N ATOM 112 CA SER A 9 10.228 3.828 4.575 1.00 0.00 C ATOM 113 C SER A 9 9.893 2.691 3.611 1.00 0.00 C ATOM 114 O SER A 9 9.176 2.874 2.647 1.00 0.00 O ATOM 115 CB SER A 9 10.358 3.273 5.994 1.00 0.00 C ATOM 116 OG SER A 9 10.384 4.351 6.920 1.00 0.00 O ATOM 0 H SER A 9 8.278 4.547 4.088 1.00 0.00 H new ATOM 0 HA SER A 9 11.169 4.290 4.277 1.00 0.00 H new ATOM 0 HB2 SER A 9 9.522 2.609 6.215 1.00 0.00 H new ATOM 0 HB3 SER A 9 11.268 2.680 6.083 1.00 0.00 H new ATOM 0 HG SER A 9 10.920 5.085 6.553 1.00 0.00 H new ATOM 122 N ILE A 10 10.407 1.518 3.861 1.00 0.00 N ATOM 123 CA ILE A 10 10.116 0.371 2.957 1.00 0.00 C ATOM 124 C ILE A 10 8.797 -0.284 3.370 1.00 0.00 C ATOM 125 O ILE A 10 8.742 -1.057 4.307 1.00 0.00 O ATOM 126 CB ILE A 10 11.250 -0.649 3.046 1.00 0.00 C ATOM 127 CG1 ILE A 10 12.577 0.051 2.677 1.00 0.00 C ATOM 128 CG2 ILE A 10 10.947 -1.822 2.103 1.00 0.00 C ATOM 129 CD1 ILE A 10 13.234 -0.595 1.449 1.00 0.00 C ATOM 0 H ILE A 10 11.015 1.305 4.652 1.00 0.00 H new ATOM 0 HA ILE A 10 10.033 0.728 1.931 1.00 0.00 H new ATOM 0 HB ILE A 10 11.340 -1.045 4.058 1.00 0.00 H new ATOM 0 HG12 ILE A 10 12.389 1.106 2.477 1.00 0.00 H new ATOM 0 HG13 ILE A 10 13.262 0.004 3.524 1.00 0.00 H new ATOM 0 HG21 ILE A 10 11.753 -2.554 2.162 1.00 0.00 H new ATOM 0 HG22 ILE A 10 10.008 -2.292 2.397 1.00 0.00 H new ATOM 0 HG23 ILE A 10 10.865 -1.455 1.080 1.00 0.00 H new ATOM 0 HD11 ILE A 10 14.165 -0.076 1.219 1.00 0.00 H new ATOM 0 HD12 ILE A 10 13.445 -1.644 1.659 1.00 0.00 H new ATOM 0 HD13 ILE A 10 12.559 -0.524 0.596 1.00 0.00 H new ATOM 141 N CYS A 11 7.735 0.021 2.679 1.00 0.00 N ATOM 142 CA CYS A 11 6.418 -0.580 3.028 1.00 0.00 C ATOM 143 C CYS A 11 6.529 -2.104 3.023 1.00 0.00 C ATOM 144 O CYS A 11 7.386 -2.673 2.375 1.00 0.00 O ATOM 145 CB CYS A 11 5.374 -0.145 2.002 1.00 0.00 C ATOM 146 SG CYS A 11 3.752 -0.787 2.484 1.00 0.00 S ATOM 0 H CYS A 11 7.722 0.662 1.886 1.00 0.00 H new ATOM 0 HA CYS A 11 6.120 -0.243 4.021 1.00 0.00 H new ATOM 0 HB2 CYS A 11 5.342 0.943 1.938 1.00 0.00 H new ATOM 0 HB3 CYS A 11 5.644 -0.515 1.013 1.00 0.00 H new ATOM 151 N SER A 12 5.664 -2.772 3.737 1.00 0.00 N ATOM 152 CA SER A 12 5.711 -4.260 3.771 1.00 0.00 C ATOM 153 C SER A 12 4.399 -4.817 3.215 1.00 0.00 C ATOM 154 O SER A 12 3.479 -4.083 2.918 1.00 0.00 O ATOM 155 CB SER A 12 5.897 -4.731 5.215 1.00 0.00 C ATOM 156 OG SER A 12 4.885 -4.156 6.030 1.00 0.00 O ATOM 0 H SER A 12 4.925 -2.349 4.299 1.00 0.00 H new ATOM 0 HA SER A 12 6.545 -4.616 3.166 1.00 0.00 H new ATOM 0 HB2 SER A 12 5.846 -5.819 5.264 1.00 0.00 H new ATOM 0 HB3 SER A 12 6.882 -4.441 5.580 1.00 0.00 H new ATOM 0 HG SER A 12 5.251 -3.385 6.511 1.00 0.00 H new ATOM 162 N LEU A 13 4.306 -6.111 3.069 1.00 0.00 N ATOM 163 CA LEU A 13 3.053 -6.711 2.530 1.00 0.00 C ATOM 164 C LEU A 13 2.088 -7.004 3.682 1.00 0.00 C ATOM 165 O LEU A 13 1.064 -7.633 3.500 1.00 0.00 O ATOM 166 CB LEU A 13 3.388 -8.012 1.802 1.00 0.00 C ATOM 167 CG LEU A 13 3.295 -7.785 0.292 1.00 0.00 C ATOM 168 CD1 LEU A 13 1.879 -7.327 -0.069 1.00 0.00 C ATOM 169 CD2 LEU A 13 4.299 -6.710 -0.122 1.00 0.00 C ATOM 0 H LEU A 13 5.043 -6.778 3.299 1.00 0.00 H new ATOM 0 HA LEU A 13 2.585 -6.014 1.835 1.00 0.00 H new ATOM 0 HB2 LEU A 13 4.391 -8.344 2.070 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.699 -8.800 2.106 1.00 0.00 H new ATOM 0 HG LEU A 13 3.520 -8.715 -0.231 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.812 -7.165 -1.145 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.162 -8.093 0.228 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.653 -6.397 0.453 1.00 0.00 H new ATOM 0 HD21 LEU A 13 4.234 -6.547 -1.198 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.073 -5.780 0.400 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.307 -7.035 0.136 1.00 0.00 H new ATOM 181 N TYR A 14 2.408 -6.555 4.865 1.00 0.00 N ATOM 182 CA TYR A 14 1.514 -6.809 6.029 1.00 0.00 C ATOM 183 C TYR A 14 0.673 -5.560 6.311 1.00 0.00 C ATOM 184 O TYR A 14 -0.490 -5.646 6.651 1.00 0.00 O ATOM 185 CB TYR A 14 2.373 -7.152 7.254 1.00 0.00 C ATOM 186 CG TYR A 14 1.570 -6.970 8.521 1.00 0.00 C ATOM 187 CD1 TYR A 14 0.340 -7.621 8.673 1.00 0.00 C ATOM 188 CD2 TYR A 14 2.057 -6.147 9.544 1.00 0.00 C ATOM 189 CE1 TYR A 14 -0.401 -7.450 9.847 1.00 0.00 C ATOM 190 CE2 TYR A 14 1.315 -5.975 10.717 1.00 0.00 C ATOM 191 CZ TYR A 14 0.086 -6.627 10.870 1.00 0.00 C ATOM 192 OH TYR A 14 -0.646 -6.457 12.029 1.00 0.00 O ATOM 0 H TYR A 14 3.252 -6.022 5.075 1.00 0.00 H new ATOM 0 HA TYR A 14 0.846 -7.642 5.810 1.00 0.00 H new ATOM 0 HB2 TYR A 14 2.726 -8.181 7.183 1.00 0.00 H new ATOM 0 HB3 TYR A 14 3.256 -6.513 7.279 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -0.037 -8.255 7.884 1.00 0.00 H new ATOM 0 HD2 TYR A 14 3.006 -5.645 9.427 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -1.349 -7.953 9.965 1.00 0.00 H new ATOM 0 HE2 TYR A 14 1.690 -5.339 11.505 1.00 0.00 H new ATOM 0 HH TYR A 14 -0.164 -5.856 12.635 1.00 0.00 H new ATOM 202 N GLN A 15 1.253 -4.398 6.181 1.00 0.00 N ATOM 203 CA GLN A 15 0.486 -3.149 6.448 1.00 0.00 C ATOM 204 C GLN A 15 -0.654 -3.015 5.437 1.00 0.00 C ATOM 205 O GLN A 15 -1.725 -2.541 5.756 1.00 0.00 O ATOM 206 CB GLN A 15 1.420 -1.944 6.330 1.00 0.00 C ATOM 207 CG GLN A 15 2.686 -2.201 7.150 1.00 0.00 C ATOM 208 CD GLN A 15 3.392 -0.874 7.433 1.00 0.00 C ATOM 209 OE1 GLN A 15 3.018 -0.158 8.458 1.00 0.00 O flip ATOM 210 NE2 GLN A 15 4.291 -0.486 6.715 1.00 0.00 N flip ATOM 0 H GLN A 15 2.224 -4.260 5.902 1.00 0.00 H new ATOM 0 HA GLN A 15 0.069 -3.190 7.454 1.00 0.00 H new ATOM 0 HB2 GLN A 15 1.679 -1.771 5.285 1.00 0.00 H new ATOM 0 HB3 GLN A 15 0.918 -1.045 6.687 1.00 0.00 H new ATOM 0 HG2 GLN A 15 2.430 -2.696 8.087 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.353 -2.871 6.608 1.00 0.00 H new ATOM 0 HE21 GLN A 15 4.582 -1.047 5.914 1.00 0.00 H new ATOM 0 HE22 GLN A 15 4.755 0.401 6.913 1.00 0.00 H new ATOM 219 N LEU A 16 -0.435 -3.426 4.217 1.00 0.00 N ATOM 220 CA LEU A 16 -1.513 -3.315 3.195 1.00 0.00 C ATOM 221 C LEU A 16 -2.537 -4.432 3.402 1.00 0.00 C ATOM 222 O LEU A 16 -3.576 -4.456 2.776 1.00 0.00 O ATOM 223 CB LEU A 16 -0.914 -3.426 1.791 1.00 0.00 C ATOM 224 CG LEU A 16 0.208 -2.395 1.589 1.00 0.00 C ATOM 225 CD1 LEU A 16 0.243 -1.984 0.120 1.00 0.00 C ATOM 226 CD2 LEU A 16 -0.037 -1.146 2.444 1.00 0.00 C ATOM 0 H LEU A 16 0.440 -3.832 3.886 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.004 -2.348 3.301 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.521 -4.431 1.637 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.694 -3.271 1.045 1.00 0.00 H new ATOM 0 HG LEU A 16 1.154 -2.846 1.888 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.036 -1.252 -0.034 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.433 -2.861 -0.499 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.715 -1.545 -0.158 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.770 -0.431 2.284 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.986 -0.691 2.160 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.070 -1.426 3.497 1.00 0.00 H new ATOM 238 N GLU A 17 -2.255 -5.357 4.278 1.00 0.00 N ATOM 239 CA GLU A 17 -3.222 -6.461 4.519 1.00 0.00 C ATOM 240 C GLU A 17 -4.470 -5.889 5.194 1.00 0.00 C ATOM 241 O GLU A 17 -5.519 -6.503 5.207 1.00 0.00 O ATOM 242 CB GLU A 17 -2.580 -7.515 5.423 1.00 0.00 C ATOM 243 CG GLU A 17 -1.629 -8.383 4.596 1.00 0.00 C ATOM 244 CD GLU A 17 -1.683 -9.826 5.101 1.00 0.00 C ATOM 245 OE1 GLU A 17 -2.081 -10.020 6.238 1.00 0.00 O ATOM 246 OE2 GLU A 17 -1.329 -10.712 4.341 1.00 0.00 O ATOM 0 H GLU A 17 -1.401 -5.395 4.834 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.498 -6.926 3.573 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.036 -7.031 6.234 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.350 -8.135 5.881 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.908 -8.345 3.543 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.612 -7.999 4.670 1.00 0.00 H new ATOM 253 N ASN A 18 -4.364 -4.713 5.748 1.00 0.00 N ATOM 254 CA ASN A 18 -5.539 -4.090 6.419 1.00 0.00 C ATOM 255 C ASN A 18 -6.355 -3.308 5.388 1.00 0.00 C ATOM 256 O ASN A 18 -7.468 -2.890 5.645 1.00 0.00 O ATOM 257 CB ASN A 18 -5.057 -3.136 7.515 1.00 0.00 C ATOM 258 CG ASN A 18 -4.129 -3.887 8.472 1.00 0.00 C ATOM 259 OD1 ASN A 18 -3.091 -4.372 8.074 1.00 0.00 O ATOM 260 ND2 ASN A 18 -4.467 -4.002 9.727 1.00 0.00 N ATOM 0 H ASN A 18 -3.511 -4.155 5.765 1.00 0.00 H new ATOM 0 HA ASN A 18 -6.159 -4.869 6.863 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -4.532 -2.290 7.071 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -5.909 -2.731 8.061 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -3.858 -4.501 10.376 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -5.340 -3.593 10.059 1.00 0.00 H new ATOM 267 N TYR A 19 -5.807 -3.103 4.219 1.00 0.00 N ATOM 268 CA TYR A 19 -6.540 -2.343 3.166 1.00 0.00 C ATOM 269 C TYR A 19 -7.541 -3.257 2.450 1.00 0.00 C ATOM 270 O TYR A 19 -8.081 -2.908 1.419 1.00 0.00 O ATOM 271 CB TYR A 19 -5.531 -1.789 2.159 1.00 0.00 C ATOM 272 CG TYR A 19 -5.162 -0.388 2.560 1.00 0.00 C ATOM 273 CD1 TYR A 19 -4.163 -0.186 3.508 1.00 0.00 C ATOM 274 CD2 TYR A 19 -5.828 0.708 1.994 1.00 0.00 C ATOM 275 CE1 TYR A 19 -3.823 1.110 3.898 1.00 0.00 C ATOM 276 CE2 TYR A 19 -5.489 2.009 2.386 1.00 0.00 C ATOM 277 CZ TYR A 19 -4.486 2.208 3.341 1.00 0.00 C ATOM 278 OH TYR A 19 -4.150 3.488 3.730 1.00 0.00 O ATOM 0 H TYR A 19 -4.880 -3.431 3.948 1.00 0.00 H new ATOM 0 HA TYR A 19 -7.089 -1.523 3.628 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -4.642 -2.419 2.130 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -5.958 -1.794 1.156 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -3.651 -1.032 3.942 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -6.601 0.549 1.257 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -3.046 1.265 4.632 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -6.000 2.856 1.953 1.00 0.00 H new ATOM 0 HH TYR A 19 -4.963 4.029 3.813 1.00 0.00 H new ATOM 288 N CYS A 20 -7.798 -4.420 2.985 1.00 0.00 N ATOM 289 CA CYS A 20 -8.771 -5.343 2.331 1.00 0.00 C ATOM 290 C CYS A 20 -10.183 -5.018 2.820 1.00 0.00 C ATOM 291 O CYS A 20 -10.369 -4.283 3.769 1.00 0.00 O ATOM 292 CB CYS A 20 -8.429 -6.784 2.692 1.00 0.00 C ATOM 293 SG CYS A 20 -8.041 -7.719 1.190 1.00 0.00 S ATOM 0 H CYS A 20 -7.377 -4.771 3.845 1.00 0.00 H new ATOM 0 HA CYS A 20 -8.720 -5.219 1.249 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -7.579 -6.805 3.374 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -9.267 -7.247 3.213 1.00 0.00 H new ATOM 298 N ASN A 21 -11.183 -5.560 2.180 1.00 0.00 N ATOM 299 CA ASN A 21 -12.582 -5.283 2.610 1.00 0.00 C ATOM 300 C ASN A 21 -12.832 -5.929 3.975 1.00 0.00 C ATOM 301 O ASN A 21 -12.188 -5.522 4.928 1.00 0.00 O ATOM 302 CB ASN A 21 -13.559 -5.864 1.586 1.00 0.00 C ATOM 303 CG ASN A 21 -14.128 -4.736 0.724 1.00 0.00 C ATOM 304 OD1 ASN A 21 -14.058 -4.786 -0.488 1.00 0.00 O ATOM 305 ND2 ASN A 21 -14.695 -3.712 1.301 1.00 0.00 N ATOM 306 OXT ASN A 21 -13.661 -6.819 4.045 1.00 0.00 O ATOM 0 H ASN A 21 -11.091 -6.183 1.378 1.00 0.00 H new ATOM 0 HA ASN A 21 -12.732 -4.206 2.682 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -13.051 -6.595 0.957 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -14.367 -6.389 2.096 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -15.079 -2.955 0.735 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -14.755 -3.668 2.318 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 5.907 -6.769 -5.040 1.00 0.00 N ATOM 315 CA PHE B 1 5.953 -6.826 -3.551 1.00 0.00 C ATOM 316 C PHE B 1 7.408 -6.931 -3.089 1.00 0.00 C ATOM 317 O PHE B 1 7.767 -7.809 -2.330 1.00 0.00 O ATOM 318 CB PHE B 1 5.171 -8.048 -3.063 1.00 0.00 C ATOM 319 CG PHE B 1 5.903 -9.307 -3.463 1.00 0.00 C ATOM 320 CD1 PHE B 1 5.955 -9.689 -4.809 1.00 0.00 C ATOM 321 CD2 PHE B 1 6.529 -10.092 -2.487 1.00 0.00 C ATOM 322 CE1 PHE B 1 6.633 -10.856 -5.179 1.00 0.00 C ATOM 323 CE2 PHE B 1 7.207 -11.259 -2.858 1.00 0.00 C ATOM 324 CZ PHE B 1 7.259 -11.643 -4.203 1.00 0.00 C ATOM 0 H1 PHE B 1 4.927 -6.613 -5.351 1.00 0.00 H new ATOM 0 H2 PHE B 1 6.506 -5.988 -5.376 1.00 0.00 H new ATOM 0 H3 PHE B 1 6.256 -7.667 -5.433 1.00 0.00 H new ATOM 0 HA PHE B 1 5.506 -5.921 -3.138 1.00 0.00 H new ATOM 0 HB2 PHE B 1 5.056 -8.010 -1.980 1.00 0.00 H new ATOM 0 HB3 PHE B 1 4.168 -8.046 -3.491 1.00 0.00 H new ATOM 0 HD1 PHE B 1 5.472 -9.083 -5.561 1.00 0.00 H new ATOM 0 HD2 PHE B 1 6.489 -9.797 -1.449 1.00 0.00 H new ATOM 0 HE1 PHE B 1 6.674 -11.150 -6.217 1.00 0.00 H new ATOM 0 HE2 PHE B 1 7.691 -11.864 -2.105 1.00 0.00 H new ATOM 0 HZ PHE B 1 7.781 -12.545 -4.488 1.00 0.00 H new ATOM 336 N VAL B 2 8.250 -6.043 -3.542 1.00 0.00 N ATOM 337 CA VAL B 2 9.681 -6.093 -3.129 1.00 0.00 C ATOM 338 C VAL B 2 9.949 -5.006 -2.085 1.00 0.00 C ATOM 339 O VAL B 2 9.112 -4.165 -1.823 1.00 0.00 O ATOM 340 CB VAL B 2 10.572 -5.857 -4.349 1.00 0.00 C ATOM 341 CG1 VAL B 2 12.002 -6.293 -4.030 1.00 0.00 C ATOM 342 CG2 VAL B 2 10.042 -6.674 -5.529 1.00 0.00 C ATOM 0 H VAL B 2 8.009 -5.285 -4.180 1.00 0.00 H new ATOM 0 HA VAL B 2 9.901 -7.071 -2.701 1.00 0.00 H new ATOM 0 HB VAL B 2 10.565 -4.798 -4.605 1.00 0.00 H new ATOM 0 HG11 VAL B 2 12.636 -6.124 -4.900 1.00 0.00 H new ATOM 0 HG12 VAL B 2 12.380 -5.713 -3.188 1.00 0.00 H new ATOM 0 HG13 VAL B 2 12.011 -7.353 -3.774 1.00 0.00 H new ATOM 0 HG21 VAL B 2 10.675 -6.508 -6.400 1.00 0.00 H new ATOM 0 HG22 VAL B 2 10.050 -7.733 -5.271 1.00 0.00 H new ATOM 0 HG23 VAL B 2 9.022 -6.364 -5.757 1.00 0.00 H new ATOM 352 N ASN B 3 11.108 -5.017 -1.487 1.00 0.00 N ATOM 353 CA ASN B 3 11.428 -3.983 -0.463 1.00 0.00 C ATOM 354 C ASN B 3 11.606 -2.627 -1.147 1.00 0.00 C ATOM 355 O ASN B 3 12.706 -2.225 -1.472 1.00 0.00 O ATOM 356 CB ASN B 3 12.721 -4.363 0.261 1.00 0.00 C ATOM 357 CG ASN B 3 12.395 -4.809 1.688 1.00 0.00 C ATOM 358 OD1 ASN B 3 11.250 -5.054 2.014 1.00 0.00 O ATOM 359 ND2 ASN B 3 13.360 -4.927 2.559 1.00 0.00 N ATOM 0 H ASN B 3 11.847 -5.697 -1.663 1.00 0.00 H new ATOM 0 HA ASN B 3 10.613 -3.922 0.258 1.00 0.00 H new ATOM 0 HB2 ASN B 3 13.228 -5.165 -0.275 1.00 0.00 H new ATOM 0 HB3 ASN B 3 13.402 -3.512 0.281 1.00 0.00 H new ATOM 0 HD21 ASN B 3 13.153 -5.225 3.512 1.00 0.00 H new ATOM 0 HD22 ASN B 3 14.321 -4.722 2.286 1.00 0.00 H new ATOM 366 N GLN B 4 10.534 -1.921 -1.373 1.00 0.00 N ATOM 367 CA GLN B 4 10.642 -0.592 -2.039 1.00 0.00 C ATOM 368 C GLN B 4 9.857 0.447 -1.236 1.00 0.00 C ATOM 369 O GLN B 4 9.554 0.252 -0.075 1.00 0.00 O ATOM 370 CB GLN B 4 10.069 -0.682 -3.454 1.00 0.00 C ATOM 371 CG GLN B 4 10.364 -2.066 -4.038 1.00 0.00 C ATOM 372 CD GLN B 4 10.846 -1.917 -5.482 1.00 0.00 C ATOM 373 OE1 GLN B 4 10.395 -1.049 -6.200 1.00 0.00 O ATOM 374 NE2 GLN B 4 11.752 -2.740 -5.943 1.00 0.00 N ATOM 0 H GLN B 4 9.587 -2.206 -1.125 1.00 0.00 H new ATOM 0 HA GLN B 4 11.690 -0.296 -2.090 1.00 0.00 H new ATOM 0 HB2 GLN B 4 8.994 -0.506 -3.434 1.00 0.00 H new ATOM 0 HB3 GLN B 4 10.507 0.091 -4.085 1.00 0.00 H new ATOM 0 HG2 GLN B 4 11.123 -2.571 -3.440 1.00 0.00 H new ATOM 0 HG3 GLN B 4 9.468 -2.685 -4.004 1.00 0.00 H new ATOM 0 HE21 GLN B 4 12.132 -3.470 -5.340 1.00 0.00 H new ATOM 0 HE22 GLN B 4 12.079 -2.652 -6.905 1.00 0.00 H new ATOM 383 N HIS B 5 9.524 1.551 -1.845 1.00 0.00 N ATOM 384 CA HIS B 5 8.758 2.601 -1.119 1.00 0.00 C ATOM 385 C HIS B 5 7.394 2.793 -1.788 1.00 0.00 C ATOM 386 O HIS B 5 7.231 2.545 -2.966 1.00 0.00 O ATOM 387 CB HIS B 5 9.533 3.917 -1.157 1.00 0.00 C ATOM 388 CG HIS B 5 10.813 3.769 -0.381 1.00 0.00 C ATOM 389 ND1 HIS B 5 11.951 3.201 -0.934 1.00 0.00 N ATOM 390 CD2 HIS B 5 11.151 4.110 0.905 1.00 0.00 C ATOM 391 CE1 HIS B 5 12.911 3.216 0.010 1.00 0.00 C ATOM 392 NE2 HIS B 5 12.476 3.760 1.149 1.00 0.00 N ATOM 0 H HIS B 5 9.750 1.771 -2.815 1.00 0.00 H new ATOM 0 HA HIS B 5 8.615 2.294 -0.083 1.00 0.00 H new ATOM 0 HB2 HIS B 5 9.751 4.193 -2.189 1.00 0.00 H new ATOM 0 HB3 HIS B 5 8.929 4.719 -0.733 1.00 0.00 H new ATOM 0 HD2 HIS B 5 10.490 4.578 1.619 1.00 0.00 H new ATOM 0 HE1 HIS B 5 13.911 2.835 -0.136 1.00 0.00 H new ATOM 0 HE2 HIS B 5 13.002 3.891 2.013 1.00 0.00 H new ATOM 400 N LEU B 6 6.415 3.233 -1.046 1.00 0.00 N ATOM 401 CA LEU B 6 5.064 3.441 -1.642 1.00 0.00 C ATOM 402 C LEU B 6 4.643 4.899 -1.451 1.00 0.00 C ATOM 403 O LEU B 6 3.896 5.227 -0.551 1.00 0.00 O ATOM 404 CB LEU B 6 4.058 2.523 -0.946 1.00 0.00 C ATOM 405 CG LEU B 6 4.563 1.081 -0.993 1.00 0.00 C ATOM 406 CD1 LEU B 6 3.521 0.156 -0.361 1.00 0.00 C ATOM 407 CD2 LEU B 6 4.791 0.670 -2.447 1.00 0.00 C ATOM 0 H LEU B 6 6.491 3.457 -0.054 1.00 0.00 H new ATOM 0 HA LEU B 6 5.093 3.209 -2.707 1.00 0.00 H new ATOM 0 HB2 LEU B 6 3.919 2.837 0.089 1.00 0.00 H new ATOM 0 HB3 LEU B 6 3.086 2.595 -1.434 1.00 0.00 H new ATOM 0 HG LEU B 6 5.500 1.005 -0.441 1.00 0.00 H new ATOM 0 HD11 LEU B 6 3.880 -0.873 -0.394 1.00 0.00 H new ATOM 0 HD12 LEU B 6 3.355 0.449 0.676 1.00 0.00 H new ATOM 0 HD13 LEU B 6 2.585 0.231 -0.914 1.00 0.00 H new ATOM 0 HD21 LEU B 6 5.151 -0.358 -2.482 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.853 0.745 -2.998 1.00 0.00 H new ATOM 0 HD23 LEU B 6 5.531 1.330 -2.900 1.00 0.00 H new ATOM 419 N CYS B 7 5.117 5.776 -2.293 1.00 0.00 N ATOM 420 CA CYS B 7 4.745 7.213 -2.158 1.00 0.00 C ATOM 421 C CYS B 7 3.900 7.640 -3.360 1.00 0.00 C ATOM 422 O CYS B 7 4.355 7.628 -4.487 1.00 0.00 O ATOM 423 CB CYS B 7 6.015 8.061 -2.099 1.00 0.00 C ATOM 424 SG CYS B 7 7.012 7.556 -0.675 1.00 0.00 S ATOM 0 H CYS B 7 5.745 5.560 -3.067 1.00 0.00 H new ATOM 0 HA CYS B 7 4.168 7.355 -1.244 1.00 0.00 H new ATOM 0 HB2 CYS B 7 6.588 7.941 -3.018 1.00 0.00 H new ATOM 0 HB3 CYS B 7 5.757 9.117 -2.020 1.00 0.00 H new ATOM 429 N GLY B 8 2.672 8.018 -3.131 1.00 0.00 N ATOM 430 CA GLY B 8 1.801 8.448 -4.261 1.00 0.00 C ATOM 431 C GLY B 8 0.859 7.305 -4.644 1.00 0.00 C ATOM 432 O GLY B 8 0.278 6.655 -3.796 1.00 0.00 O ATOM 0 H GLY B 8 2.234 8.048 -2.210 1.00 0.00 H new ATOM 0 HA2 GLY B 8 1.225 9.328 -3.975 1.00 0.00 H new ATOM 0 HA3 GLY B 8 2.412 8.732 -5.118 1.00 0.00 H new ATOM 436 N SER B 9 0.702 7.055 -5.915 1.00 0.00 N ATOM 437 CA SER B 9 -0.204 5.956 -6.352 1.00 0.00 C ATOM 438 C SER B 9 0.553 4.626 -6.312 1.00 0.00 C ATOM 439 O SER B 9 -0.018 3.572 -6.513 1.00 0.00 O ATOM 440 CB SER B 9 -0.683 6.227 -7.778 1.00 0.00 C ATOM 441 OG SER B 9 -0.497 7.604 -8.083 1.00 0.00 O ATOM 0 H SER B 9 1.162 7.564 -6.670 1.00 0.00 H new ATOM 0 HA SER B 9 -1.064 5.906 -5.684 1.00 0.00 H new ATOM 0 HB2 SER B 9 -0.129 5.608 -8.484 1.00 0.00 H new ATOM 0 HB3 SER B 9 -1.735 5.960 -7.877 1.00 0.00 H new ATOM 0 HG SER B 9 -0.802 7.781 -8.998 1.00 0.00 H new ATOM 447 N HIS B 10 1.832 4.665 -6.054 1.00 0.00 N ATOM 448 CA HIS B 10 2.619 3.401 -6.001 1.00 0.00 C ATOM 449 C HIS B 10 2.100 2.528 -4.860 1.00 0.00 C ATOM 450 O HIS B 10 2.203 1.317 -4.897 1.00 0.00 O ATOM 451 CB HIS B 10 4.094 3.727 -5.764 1.00 0.00 C ATOM 452 CG HIS B 10 4.818 3.750 -7.083 1.00 0.00 C ATOM 453 ND1 HIS B 10 5.734 4.739 -7.404 1.00 0.00 N ATOM 454 CD2 HIS B 10 4.768 2.915 -8.171 1.00 0.00 C ATOM 455 CE1 HIS B 10 6.195 4.475 -8.642 1.00 0.00 C ATOM 456 NE2 HIS B 10 5.637 3.375 -9.154 1.00 0.00 N ATOM 0 H HIS B 10 2.365 5.517 -5.878 1.00 0.00 H new ATOM 0 HA HIS B 10 2.514 2.867 -6.945 1.00 0.00 H new ATOM 0 HB2 HIS B 10 4.189 4.693 -5.267 1.00 0.00 H new ATOM 0 HB3 HIS B 10 4.541 2.983 -5.104 1.00 0.00 H new ATOM 0 HD2 HIS B 10 4.148 2.034 -8.251 1.00 0.00 H new ATOM 0 HE1 HIS B 10 6.927 5.079 -9.158 1.00 0.00 H new ATOM 0 HE2 HIS B 10 5.811 2.961 -10.070 1.00 0.00 H new ATOM 464 N LEU B 11 1.542 3.127 -3.844 1.00 0.00 N ATOM 465 CA LEU B 11 1.021 2.323 -2.703 1.00 0.00 C ATOM 466 C LEU B 11 -0.228 1.559 -3.147 1.00 0.00 C ATOM 467 O LEU B 11 -0.447 0.431 -2.754 1.00 0.00 O ATOM 468 CB LEU B 11 0.664 3.247 -1.538 1.00 0.00 C ATOM 469 CG LEU B 11 0.933 2.521 -0.219 1.00 0.00 C ATOM 470 CD1 LEU B 11 1.379 3.530 0.842 1.00 0.00 C ATOM 471 CD2 LEU B 11 -0.345 1.814 0.246 1.00 0.00 C ATOM 0 H LEU B 11 1.425 4.136 -3.755 1.00 0.00 H new ATOM 0 HA LEU B 11 1.787 1.618 -2.381 1.00 0.00 H new ATOM 0 HB2 LEU B 11 1.254 4.162 -1.590 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -0.384 3.540 -1.599 1.00 0.00 H new ATOM 0 HG LEU B 11 1.721 1.783 -0.366 1.00 0.00 H new ATOM 0 HD11 LEU B 11 1.570 3.010 1.781 1.00 0.00 H new ATOM 0 HD12 LEU B 11 2.291 4.027 0.511 1.00 0.00 H new ATOM 0 HD13 LEU B 11 0.594 4.272 0.991 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -0.153 1.297 1.186 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -1.136 2.550 0.392 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -0.656 1.092 -0.509 1.00 0.00 H new ATOM 483 N VAL B 12 -1.047 2.161 -3.966 1.00 0.00 N ATOM 484 CA VAL B 12 -2.274 1.458 -4.433 1.00 0.00 C ATOM 485 C VAL B 12 -1.866 0.233 -5.253 1.00 0.00 C ATOM 486 O VAL B 12 -2.483 -0.812 -5.177 1.00 0.00 O ATOM 487 CB VAL B 12 -3.110 2.402 -5.298 1.00 0.00 C ATOM 488 CG1 VAL B 12 -4.205 1.604 -6.008 1.00 0.00 C ATOM 489 CG2 VAL B 12 -3.756 3.464 -4.406 1.00 0.00 C ATOM 0 H VAL B 12 -0.920 3.105 -4.330 1.00 0.00 H new ATOM 0 HA VAL B 12 -2.867 1.144 -3.574 1.00 0.00 H new ATOM 0 HB VAL B 12 -2.471 2.883 -6.038 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -4.802 2.275 -6.625 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -3.748 0.841 -6.639 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -4.846 1.126 -5.267 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -4.353 4.139 -5.019 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -4.397 2.980 -3.669 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -2.979 4.031 -3.894 1.00 0.00 H new ATOM 499 N GLU B 13 -0.825 0.349 -6.034 1.00 0.00 N ATOM 500 CA GLU B 13 -0.372 -0.812 -6.849 1.00 0.00 C ATOM 501 C GLU B 13 0.069 -1.938 -5.913 1.00 0.00 C ATOM 502 O GLU B 13 0.161 -3.085 -6.302 1.00 0.00 O ATOM 503 CB GLU B 13 0.805 -0.389 -7.731 1.00 0.00 C ATOM 504 CG GLU B 13 0.277 0.245 -9.020 1.00 0.00 C ATOM 505 CD GLU B 13 0.707 -0.601 -10.219 1.00 0.00 C ATOM 506 OE1 GLU B 13 1.884 -0.587 -10.538 1.00 0.00 O ATOM 507 OE2 GLU B 13 -0.149 -1.251 -10.799 1.00 0.00 O ATOM 0 H GLU B 13 -0.270 1.198 -6.142 1.00 0.00 H new ATOM 0 HA GLU B 13 -1.189 -1.159 -7.482 1.00 0.00 H new ATOM 0 HB2 GLU B 13 1.437 0.321 -7.197 1.00 0.00 H new ATOM 0 HB3 GLU B 13 1.426 -1.254 -7.966 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -0.810 0.317 -8.984 1.00 0.00 H new ATOM 0 HG3 GLU B 13 0.660 1.260 -9.122 1.00 0.00 H new ATOM 514 N ALA B 14 0.336 -1.617 -4.676 1.00 0.00 N ATOM 515 CA ALA B 14 0.759 -2.663 -3.706 1.00 0.00 C ATOM 516 C ALA B 14 -0.444 -3.069 -2.857 1.00 0.00 C ATOM 517 O ALA B 14 -0.458 -4.115 -2.240 1.00 0.00 O ATOM 518 CB ALA B 14 1.858 -2.104 -2.798 1.00 0.00 C ATOM 0 H ALA B 14 0.279 -0.672 -4.296 1.00 0.00 H new ATOM 0 HA ALA B 14 1.142 -3.531 -4.243 1.00 0.00 H new ATOM 0 HB1 ALA B 14 2.168 -2.870 -2.087 1.00 0.00 H new ATOM 0 HB2 ALA B 14 2.713 -1.804 -3.404 1.00 0.00 H new ATOM 0 HB3 ALA B 14 1.477 -1.239 -2.255 1.00 0.00 H new ATOM 524 N LEU B 15 -1.453 -2.243 -2.821 1.00 0.00 N ATOM 525 CA LEU B 15 -2.662 -2.569 -2.011 1.00 0.00 C ATOM 526 C LEU B 15 -3.496 -3.626 -2.738 1.00 0.00 C ATOM 527 O LEU B 15 -3.898 -4.616 -2.160 1.00 0.00 O ATOM 528 CB LEU B 15 -3.498 -1.304 -1.815 1.00 0.00 C ATOM 529 CG LEU B 15 -2.782 -0.363 -0.845 1.00 0.00 C ATOM 530 CD1 LEU B 15 -3.334 1.054 -1.005 1.00 0.00 C ATOM 531 CD2 LEU B 15 -3.018 -0.840 0.590 1.00 0.00 C ATOM 0 H LEU B 15 -1.493 -1.354 -3.319 1.00 0.00 H new ATOM 0 HA LEU B 15 -2.355 -2.957 -1.040 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -3.654 -0.807 -2.772 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -4.483 -1.563 -1.426 1.00 0.00 H new ATOM 0 HG LEU B 15 -1.714 -0.363 -1.061 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -2.823 1.724 -0.313 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -3.171 1.395 -2.027 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -4.402 1.055 -0.789 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -2.509 -0.171 1.284 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -4.087 -0.838 0.803 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -2.626 -1.851 0.707 1.00 0.00 H new ATOM 543 N HIS B 16 -3.761 -3.427 -4.000 1.00 0.00 N ATOM 544 CA HIS B 16 -4.571 -4.422 -4.758 1.00 0.00 C ATOM 545 C HIS B 16 -3.810 -5.751 -4.819 1.00 0.00 C ATOM 546 O HIS B 16 -4.393 -6.816 -4.791 1.00 0.00 O ATOM 547 CB HIS B 16 -4.833 -3.894 -6.177 1.00 0.00 C ATOM 548 CG HIS B 16 -3.646 -4.163 -7.062 1.00 0.00 C ATOM 549 ND1 HIS B 16 -2.342 -3.746 -6.994 1.00 0.00 N flip ATOM 550 CD2 HIS B 16 -3.732 -4.957 -8.195 1.00 0.00 C flip ATOM 551 CE1 HIS B 16 -1.624 -4.270 -8.064 1.00 0.00 C flip ATOM 552 NE2 HIS B 16 -2.509 -4.991 -8.759 1.00 0.00 N flip ATOM 0 H HIS B 16 -3.452 -2.618 -4.539 1.00 0.00 H new ATOM 0 HA HIS B 16 -5.527 -4.580 -4.258 1.00 0.00 H new ATOM 0 HB2 HIS B 16 -5.720 -4.372 -6.592 1.00 0.00 H new ATOM 0 HB3 HIS B 16 -5.034 -2.823 -6.143 1.00 0.00 H new ATOM 0 HD2 HIS B 16 -4.617 -5.457 -8.559 1.00 0.00 H new ATOM 0 HE1 HIS B 16 -0.577 -4.125 -8.285 1.00 0.00 H new ATOM 0 HE2 HIS B 16 -2.286 -5.504 -9.612 1.00 0.00 H new ATOM 560 N LEU B 17 -2.509 -5.690 -4.899 1.00 0.00 N ATOM 561 CA LEU B 17 -1.703 -6.940 -4.961 1.00 0.00 C ATOM 562 C LEU B 17 -1.833 -7.697 -3.638 1.00 0.00 C ATOM 563 O LEU B 17 -1.548 -8.876 -3.554 1.00 0.00 O ATOM 564 CB LEU B 17 -0.237 -6.583 -5.206 1.00 0.00 C ATOM 565 CG LEU B 17 0.602 -7.860 -5.274 1.00 0.00 C ATOM 566 CD1 LEU B 17 0.315 -8.592 -6.585 1.00 0.00 C ATOM 567 CD2 LEU B 17 2.085 -7.495 -5.208 1.00 0.00 C ATOM 0 H LEU B 17 -1.969 -4.825 -4.924 1.00 0.00 H new ATOM 0 HA LEU B 17 -2.065 -7.570 -5.774 1.00 0.00 H new ATOM 0 HB2 LEU B 17 -0.140 -6.023 -6.136 1.00 0.00 H new ATOM 0 HB3 LEU B 17 0.129 -5.939 -4.406 1.00 0.00 H new ATOM 0 HG LEU B 17 0.347 -8.508 -4.435 1.00 0.00 H new ATOM 0 HD11 LEU B 17 0.913 -9.502 -6.632 1.00 0.00 H new ATOM 0 HD12 LEU B 17 -0.743 -8.851 -6.633 1.00 0.00 H new ATOM 0 HD13 LEU B 17 0.569 -7.946 -7.425 1.00 0.00 H new ATOM 0 HD21 LEU B 17 2.686 -8.403 -5.256 1.00 0.00 H new ATOM 0 HD22 LEU B 17 2.338 -6.848 -6.048 1.00 0.00 H new ATOM 0 HD23 LEU B 17 2.290 -6.974 -4.273 1.00 0.00 H new ATOM 579 N VAL B 18 -2.264 -7.028 -2.603 1.00 0.00 N ATOM 580 CA VAL B 18 -2.414 -7.711 -1.285 1.00 0.00 C ATOM 581 C VAL B 18 -3.833 -8.267 -1.156 1.00 0.00 C ATOM 582 O VAL B 18 -4.095 -9.147 -0.359 1.00 0.00 O ATOM 583 CB VAL B 18 -2.160 -6.710 -0.156 1.00 0.00 C ATOM 584 CG1 VAL B 18 -1.992 -7.463 1.164 1.00 0.00 C ATOM 585 CG2 VAL B 18 -0.887 -5.913 -0.452 1.00 0.00 C ATOM 0 H VAL B 18 -2.518 -6.040 -2.612 1.00 0.00 H new ATOM 0 HA VAL B 18 -1.694 -8.526 -1.218 1.00 0.00 H new ATOM 0 HB VAL B 18 -3.006 -6.027 -0.082 1.00 0.00 H new ATOM 0 HG11 VAL B 18 -1.811 -6.751 1.969 1.00 0.00 H new ATOM 0 HG12 VAL B 18 -2.898 -8.029 1.378 1.00 0.00 H new ATOM 0 HG13 VAL B 18 -1.147 -8.147 1.088 1.00 0.00 H new ATOM 0 HG21 VAL B 18 -0.708 -5.201 0.353 1.00 0.00 H new ATOM 0 HG22 VAL B 18 -0.040 -6.595 -0.528 1.00 0.00 H new ATOM 0 HG23 VAL B 18 -1.005 -5.375 -1.393 1.00 0.00 H new ATOM 595 N CYS B 19 -4.755 -7.754 -1.923 1.00 0.00 N ATOM 596 CA CYS B 19 -6.156 -8.250 -1.833 1.00 0.00 C ATOM 597 C CYS B 19 -6.541 -8.966 -3.129 1.00 0.00 C ATOM 598 O CYS B 19 -6.311 -10.149 -3.285 1.00 0.00 O ATOM 599 CB CYS B 19 -7.097 -7.066 -1.603 1.00 0.00 C ATOM 600 SG CYS B 19 -6.902 -6.464 0.092 1.00 0.00 S ATOM 0 H CYS B 19 -4.599 -7.014 -2.607 1.00 0.00 H new ATOM 0 HA CYS B 19 -6.237 -8.951 -1.002 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -6.875 -6.268 -2.312 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -8.130 -7.369 -1.777 1.00 0.00 H new ATOM 605 N GLY B 20 -7.130 -8.265 -4.059 1.00 0.00 N ATOM 606 CA GLY B 20 -7.530 -8.914 -5.340 1.00 0.00 C ATOM 607 C GLY B 20 -9.042 -9.142 -5.347 1.00 0.00 C ATOM 608 O GLY B 20 -9.821 -8.209 -5.367 1.00 0.00 O ATOM 0 H GLY B 20 -7.351 -7.272 -3.987 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -7.243 -8.286 -6.183 1.00 0.00 H new ATOM 0 HA3 GLY B 20 -7.008 -9.864 -5.457 1.00 0.00 H new ATOM 612 N GLU B 21 -9.461 -10.377 -5.334 1.00 0.00 N ATOM 613 CA GLU B 21 -10.922 -10.675 -5.340 1.00 0.00 C ATOM 614 C GLU B 21 -11.648 -9.719 -4.393 1.00 0.00 C ATOM 615 O GLU B 21 -12.474 -8.928 -4.805 1.00 0.00 O ATOM 616 CB GLU B 21 -11.150 -12.116 -4.874 1.00 0.00 C ATOM 617 CG GLU B 21 -10.589 -13.084 -5.917 1.00 0.00 C ATOM 618 CD GLU B 21 -11.741 -13.819 -6.605 1.00 0.00 C ATOM 619 OE1 GLU B 21 -12.830 -13.818 -6.056 1.00 0.00 O ATOM 620 OE2 GLU B 21 -11.515 -14.370 -7.670 1.00 0.00 O ATOM 0 H GLU B 21 -8.853 -11.196 -5.319 1.00 0.00 H new ATOM 0 HA GLU B 21 -11.310 -10.549 -6.351 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -10.664 -12.280 -3.912 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -12.215 -12.298 -4.729 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -10.000 -12.539 -6.654 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -9.920 -13.800 -5.441 1.00 0.00 H new ATOM 627 N ARG B 22 -11.348 -9.783 -3.125 1.00 0.00 N ATOM 628 CA ARG B 22 -12.021 -8.878 -2.152 1.00 0.00 C ATOM 629 C ARG B 22 -11.906 -7.431 -2.635 1.00 0.00 C ATOM 630 O ARG B 22 -12.879 -6.818 -3.027 1.00 0.00 O ATOM 631 CB ARG B 22 -11.355 -9.011 -0.784 1.00 0.00 C ATOM 632 CG ARG B 22 -11.864 -10.274 -0.087 1.00 0.00 C ATOM 633 CD ARG B 22 -13.209 -9.978 0.582 1.00 0.00 C ATOM 634 NE ARG B 22 -13.061 -10.078 2.062 1.00 0.00 N ATOM 635 CZ ARG B 22 -13.977 -9.581 2.848 1.00 0.00 C ATOM 636 NH1 ARG B 22 -15.024 -8.985 2.342 1.00 0.00 N ATOM 637 NH2 ARG B 22 -13.847 -9.677 4.143 1.00 0.00 N ATOM 0 H ARG B 22 -10.665 -10.424 -2.721 1.00 0.00 H new ATOM 0 HA ARG B 22 -13.073 -9.152 -2.072 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -10.272 -9.058 -0.898 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -11.574 -8.134 -0.175 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -11.975 -11.082 -0.810 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -11.141 -10.609 0.657 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -13.552 -8.981 0.307 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -13.964 -10.683 0.233 1.00 0.00 H new ATOM 0 HE ARG B 22 -12.242 -10.536 2.461 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -15.127 -8.907 1.330 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -15.738 -8.598 2.959 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -13.030 -10.140 4.541 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -14.563 -9.289 4.758 1.00 0.00 H new ATOM 651 N GLY B 23 -10.725 -6.879 -2.609 1.00 0.00 N ATOM 652 CA GLY B 23 -10.546 -5.472 -3.064 1.00 0.00 C ATOM 653 C GLY B 23 -9.922 -4.646 -1.939 1.00 0.00 C ATOM 654 O GLY B 23 -9.536 -5.169 -0.912 1.00 0.00 O ATOM 0 H GLY B 23 -9.874 -7.343 -2.291 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -9.908 -5.443 -3.947 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -11.508 -5.047 -3.351 1.00 0.00 H new ATOM 658 N PHE B 24 -9.817 -3.358 -2.121 1.00 0.00 N ATOM 659 CA PHE B 24 -9.215 -2.503 -1.062 1.00 0.00 C ATOM 660 C PHE B 24 -9.649 -1.050 -1.265 1.00 0.00 C ATOM 661 O PHE B 24 -10.167 -0.685 -2.302 1.00 0.00 O ATOM 662 CB PHE B 24 -7.689 -2.594 -1.141 1.00 0.00 C ATOM 663 CG PHE B 24 -7.219 -1.997 -2.445 1.00 0.00 C ATOM 664 CD1 PHE B 24 -7.285 -2.760 -3.614 1.00 0.00 C ATOM 665 CD2 PHE B 24 -6.719 -0.691 -2.486 1.00 0.00 C ATOM 666 CE1 PHE B 24 -6.853 -2.217 -4.829 1.00 0.00 C ATOM 667 CE2 PHE B 24 -6.285 -0.148 -3.700 1.00 0.00 C ATOM 668 CZ PHE B 24 -6.351 -0.910 -4.872 1.00 0.00 C ATOM 0 H PHE B 24 -10.123 -2.862 -2.958 1.00 0.00 H new ATOM 0 HA PHE B 24 -9.552 -2.848 -0.084 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -7.238 -2.064 -0.302 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -7.371 -3.634 -1.069 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -7.669 -3.769 -3.580 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -6.668 -0.103 -1.582 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -6.907 -2.805 -5.733 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -5.899 0.860 -3.733 1.00 0.00 H new ATOM 0 HZ PHE B 24 -6.015 -0.491 -5.809 1.00 0.00 H new ATOM 678 N PHE B 25 -9.439 -0.215 -0.285 1.00 0.00 N ATOM 679 CA PHE B 25 -9.835 1.214 -0.421 1.00 0.00 C ATOM 680 C PHE B 25 -8.662 2.105 -0.011 1.00 0.00 C ATOM 681 O PHE B 25 -8.422 2.333 1.158 1.00 0.00 O ATOM 682 CB PHE B 25 -11.037 1.501 0.483 1.00 0.00 C ATOM 683 CG PHE B 25 -10.817 0.867 1.835 1.00 0.00 C ATOM 684 CD1 PHE B 25 -11.015 -0.508 2.005 1.00 0.00 C ATOM 685 CD2 PHE B 25 -10.417 1.656 2.920 1.00 0.00 C ATOM 686 CE1 PHE B 25 -10.811 -1.096 3.261 1.00 0.00 C ATOM 687 CE2 PHE B 25 -10.213 1.069 4.175 1.00 0.00 C ATOM 688 CZ PHE B 25 -10.411 -0.306 4.345 1.00 0.00 C ATOM 0 H PHE B 25 -9.009 -0.462 0.606 1.00 0.00 H new ATOM 0 HA PHE B 25 -10.105 1.421 -1.457 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -11.174 2.577 0.593 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -11.947 1.109 0.030 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -11.325 -1.116 1.168 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -10.266 2.717 2.789 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -10.962 -2.157 3.392 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -9.903 1.677 5.012 1.00 0.00 H new ATOM 0 HZ PHE B 25 -10.255 -0.758 5.313 1.00 0.00 H new ATOM 698 N TYR B 26 -7.932 2.612 -0.964 1.00 0.00 N ATOM 699 CA TYR B 26 -6.774 3.488 -0.630 1.00 0.00 C ATOM 700 C TYR B 26 -7.284 4.819 -0.074 1.00 0.00 C ATOM 701 O TYR B 26 -8.454 5.135 -0.170 1.00 0.00 O ATOM 702 CB TYR B 26 -5.949 3.743 -1.894 1.00 0.00 C ATOM 703 CG TYR B 26 -4.626 4.368 -1.522 1.00 0.00 C ATOM 704 CD1 TYR B 26 -3.911 3.898 -0.413 1.00 0.00 C ATOM 705 CD2 TYR B 26 -4.110 5.419 -2.289 1.00 0.00 C ATOM 706 CE1 TYR B 26 -2.683 4.477 -0.073 1.00 0.00 C ATOM 707 CE2 TYR B 26 -2.882 6.000 -1.948 1.00 0.00 C ATOM 708 CZ TYR B 26 -2.169 5.528 -0.840 1.00 0.00 C ATOM 709 OH TYR B 26 -0.958 6.099 -0.506 1.00 0.00 O ATOM 0 H TYR B 26 -8.087 2.458 -1.960 1.00 0.00 H new ATOM 0 HA TYR B 26 -6.151 2.999 0.119 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -5.783 2.806 -2.426 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -6.495 4.401 -2.570 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -4.308 3.088 0.181 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -4.659 5.782 -3.145 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -2.132 4.112 0.781 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -2.486 6.812 -2.540 1.00 0.00 H new ATOM 0 HH TYR B 26 -0.747 6.814 -1.142 1.00 0.00 H new ATOM 719 N THR B 27 -6.415 5.604 0.502 1.00 0.00 N ATOM 720 CA THR B 27 -6.850 6.916 1.060 1.00 0.00 C ATOM 721 C THR B 27 -5.919 8.018 0.549 1.00 0.00 C ATOM 722 O THR B 27 -5.285 8.704 1.328 1.00 0.00 O ATOM 723 CB THR B 27 -6.794 6.865 2.587 1.00 0.00 C ATOM 724 OG1 THR B 27 -7.386 8.042 3.120 1.00 0.00 O ATOM 725 CG2 THR B 27 -5.338 6.771 3.044 1.00 0.00 C ATOM 0 H THR B 27 -5.423 5.394 0.610 1.00 0.00 H new ATOM 0 HA THR B 27 -7.871 7.127 0.743 1.00 0.00 H new ATOM 0 HB THR B 27 -7.339 5.991 2.942 1.00 0.00 H new ATOM 0 HG1 THR B 27 -6.858 8.823 2.854 1.00 0.00 H new ATOM 0 HG21 THR B 27 -5.300 6.735 4.133 1.00 0.00 H new ATOM 0 HG22 THR B 27 -4.886 5.868 2.635 1.00 0.00 H new ATOM 0 HG23 THR B 27 -4.789 7.644 2.691 1.00 0.00 H new ATOM 733 N PRO B 28 -5.866 8.152 -0.751 1.00 0.00 N ATOM 734 CA PRO B 28 -5.023 9.162 -1.435 1.00 0.00 C ATOM 735 C PRO B 28 -5.429 10.572 -0.997 1.00 0.00 C ATOM 736 O PRO B 28 -6.306 11.184 -1.572 1.00 0.00 O ATOM 737 CB PRO B 28 -5.282 8.979 -2.936 1.00 0.00 C ATOM 738 CG PRO B 28 -6.315 7.848 -3.096 1.00 0.00 C ATOM 739 CD PRO B 28 -6.641 7.315 -1.694 1.00 0.00 C ATOM 0 HA PRO B 28 -3.968 9.035 -1.192 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -5.656 9.904 -3.376 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -4.357 8.729 -3.456 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -7.216 8.219 -3.584 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -5.917 7.052 -3.725 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -7.709 7.383 -1.489 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -6.365 6.265 -1.602 1.00 0.00 H new ATOM 747 N LYS B 29 -4.792 11.092 0.015 1.00 0.00 N ATOM 748 CA LYS B 29 -5.136 12.463 0.490 1.00 0.00 C ATOM 749 C LYS B 29 -3.883 13.134 1.056 1.00 0.00 C ATOM 750 O LYS B 29 -3.475 12.868 2.168 1.00 0.00 O ATOM 751 CB LYS B 29 -6.206 12.373 1.579 1.00 0.00 C ATOM 752 CG LYS B 29 -7.041 13.655 1.580 1.00 0.00 C ATOM 753 CD LYS B 29 -7.233 14.137 3.019 1.00 0.00 C ATOM 754 CE LYS B 29 -8.635 14.727 3.175 1.00 0.00 C ATOM 755 NZ LYS B 29 -9.365 13.991 4.245 1.00 0.00 N ATOM 0 H LYS B 29 -4.047 10.627 0.535 1.00 0.00 H new ATOM 0 HA LYS B 29 -5.518 13.052 -0.344 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -6.847 11.509 1.404 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -5.738 12.230 2.553 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -6.545 14.426 0.990 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -8.009 13.471 1.114 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -7.096 13.308 3.713 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -6.481 14.887 3.266 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -8.570 15.786 3.426 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -9.179 14.655 2.233 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -10.319 14.391 4.353 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -9.438 12.986 3.987 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -8.848 14.082 5.143 1.00 0.00 H new ATOM 769 N THR B 30 -3.267 13.997 0.297 1.00 0.00 N ATOM 770 CA THR B 30 -2.038 14.681 0.791 1.00 0.00 C ATOM 771 C THR B 30 -2.295 16.187 0.888 1.00 0.00 C ATOM 772 O THR B 30 -1.669 16.922 0.144 1.00 0.00 O ATOM 773 CB THR B 30 -0.886 14.419 -0.179 1.00 0.00 C ATOM 774 OG1 THR B 30 0.209 15.265 0.150 1.00 0.00 O ATOM 775 CG2 THR B 30 -1.345 14.708 -1.610 1.00 0.00 C ATOM 776 OXT THR B 30 -3.113 16.577 1.704 1.00 0.00 O ATOM 0 H THR B 30 -3.561 14.259 -0.644 1.00 0.00 H new ATOM 0 HA THR B 30 -1.777 14.295 1.776 1.00 0.00 H new ATOM 0 HB THR B 30 -0.576 13.377 -0.103 1.00 0.00 H new ATOM 0 HG1 THR B 30 -0.037 16.199 -0.017 1.00 0.00 H new ATOM 0 HG21 THR B 30 -0.523 14.521 -2.301 1.00 0.00 H new ATOM 0 HG22 THR B 30 -2.184 14.059 -1.861 1.00 0.00 H new ATOM 0 HG23 THR B 30 -1.655 15.750 -1.689 1.00 0.00 H new TER 784 THR B 30