USER MOD reduce.3.24.130724 H: found=0, std=0, add=376, rem=0, adj=15 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN :FLIP amide:sc= -0.0287 F(o=-1.6!,f=-0.029) USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.181 USER MOD Single : A 9 SER OG : rot -57:sc= 0.058! USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN :FLIP amide:sc= -1.02 F(o=-3.4!,f=-1) USER MOD Single : A 18 ASN :FLIP amide:sc= -2.93 F(o=-5.3!,f=-2.9) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -3.98! C(o=-4!,f=-5.3!) USER MOD Single : B 24 ASN : amide:sc= -1.5! C(o=-1.5!,f=-6.2!) USER MOD Single : B 25 GLN : amide:sc= -2.53 K(o=-2.5,f=-3.9!) USER MOD Single : B 26 HIS : no HD1:sc= -11.3! C(o=-11!,f=-15!) USER MOD Single : B 30 SER OG : rot 180:sc= 0 USER MOD Single : B 37 TYR OH : rot 180:sc= 0 USER MOD Single : B 45 TYR OH : rot -130:sc= -0.742 USER MOD Single : B 47 TYR OH : rot 180:sc= -0.0678 USER MOD Single : B 48 THR OG1 : rot 180:sc= -0.261 USER MOD Single : B 49 LYS NZ :NH3+ -164:sc= -0.0283 (180deg=-0.404) USER MOD Single : B 51 THR OG1 : rot 57:sc= 1.04 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.775 4.747 2.846 1.00 0.00 N ATOM 2 CA GLY A 1 -8.239 4.118 1.558 1.00 0.00 C ATOM 3 C GLY A 1 -6.802 4.276 1.201 1.00 0.00 C ATOM 4 O GLY A 1 -6.143 5.201 1.634 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.790 4.540 2.937 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.266 4.353 3.663 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.634 5.777 2.814 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.446 3.049 1.607 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.826 4.519 0.731 1.00 0.00 H new ATOM 10 N ILE A 2 -6.277 3.383 0.408 1.00 0.00 N ATOM 11 CA ILE A 2 -4.845 3.486 0.016 1.00 0.00 C ATOM 12 C ILE A 2 -4.680 4.580 -1.037 1.00 0.00 C ATOM 13 O ILE A 2 -3.726 5.333 -1.024 1.00 0.00 O ATOM 14 CB ILE A 2 -4.377 2.147 -0.560 1.00 0.00 C ATOM 15 CG1 ILE A 2 -2.881 2.236 -0.901 1.00 0.00 C ATOM 16 CG2 ILE A 2 -5.170 1.826 -1.829 1.00 0.00 C ATOM 17 CD1 ILE A 2 -2.280 0.836 -1.135 1.00 0.00 C ATOM 0 H ILE A 2 -6.779 2.587 0.015 1.00 0.00 H new ATOM 0 HA ILE A 2 -4.246 3.735 0.892 1.00 0.00 H new ATOM 0 HB ILE A 2 -4.540 1.359 0.175 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -2.744 2.847 -1.793 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -2.349 2.732 -0.089 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -4.834 0.872 -2.236 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -6.231 1.765 -1.589 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -5.010 2.612 -2.567 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -1.221 0.930 -1.374 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -2.396 0.235 -0.233 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -2.797 0.352 -1.963 1.00 0.00 H new ATOM 29 N VAL A 3 -5.603 4.674 -1.949 1.00 0.00 N ATOM 30 CA VAL A 3 -5.513 5.712 -3.005 1.00 0.00 C ATOM 31 C VAL A 3 -5.214 7.066 -2.373 1.00 0.00 C ATOM 32 O VAL A 3 -4.451 7.856 -2.893 1.00 0.00 O ATOM 33 CB VAL A 3 -6.853 5.786 -3.728 1.00 0.00 C ATOM 34 CG1 VAL A 3 -6.686 6.592 -5.007 1.00 0.00 C ATOM 35 CG2 VAL A 3 -7.328 4.373 -4.066 1.00 0.00 C ATOM 0 H VAL A 3 -6.423 4.070 -2.007 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.716 5.458 -3.704 1.00 0.00 H new ATOM 0 HB VAL A 3 -7.592 6.269 -3.088 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -7.641 6.649 -5.529 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -6.347 7.598 -4.761 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -5.950 6.108 -5.649 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -8.286 4.425 -4.583 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -6.595 3.887 -4.709 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -7.442 3.798 -3.147 1.00 0.00 H new ATOM 45 N GLU A 4 -5.825 7.342 -1.261 1.00 0.00 N ATOM 46 CA GLU A 4 -5.596 8.653 -0.595 1.00 0.00 C ATOM 47 C GLU A 4 -4.235 8.653 0.107 1.00 0.00 C ATOM 48 O GLU A 4 -3.650 9.688 0.347 1.00 0.00 O ATOM 49 CB GLU A 4 -6.707 8.901 0.429 1.00 0.00 C ATOM 50 CG GLU A 4 -8.055 8.480 -0.166 1.00 0.00 C ATOM 51 CD GLU A 4 -9.193 9.097 0.650 1.00 0.00 C ATOM 52 OE1 GLU A 4 -9.867 9.968 0.126 1.00 0.00 O ATOM 53 OE2 GLU A 4 -9.370 8.688 1.786 1.00 0.00 O ATOM 0 H GLU A 4 -6.474 6.718 -0.782 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.606 9.445 -1.344 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.508 8.337 1.341 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.733 9.955 0.705 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -8.122 8.804 -1.205 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -8.141 7.393 -0.165 1.00 0.00 H new ATOM 60 N GLN A 5 -3.725 7.502 0.448 1.00 0.00 N ATOM 61 CA GLN A 5 -2.403 7.449 1.142 1.00 0.00 C ATOM 62 C GLN A 5 -1.275 7.319 0.116 1.00 0.00 C ATOM 63 O GLN A 5 -0.124 7.568 0.418 1.00 0.00 O ATOM 64 CB GLN A 5 -2.373 6.240 2.076 1.00 0.00 C ATOM 65 CG GLN A 5 -3.409 6.428 3.185 1.00 0.00 C ATOM 66 CD GLN A 5 -3.175 5.391 4.284 1.00 0.00 C ATOM 67 OE1 GLN A 5 -2.193 4.542 4.161 1.00 0.00 O flip ATOM 68 NE2 GLN A 5 -3.893 5.352 5.263 1.00 0.00 N flip ATOM 0 H GLN A 5 -4.163 6.597 0.278 1.00 0.00 H new ATOM 0 HA GLN A 5 -2.263 8.367 1.714 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -2.585 5.329 1.516 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -1.379 6.125 2.508 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -3.336 7.434 3.598 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -4.415 6.322 2.779 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -4.661 6.016 5.359 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -3.728 4.655 5.989 1.00 0.00 H new ATOM 77 N CYS A 6 -1.589 6.908 -1.089 1.00 0.00 N ATOM 78 CA CYS A 6 -0.539 6.730 -2.134 1.00 0.00 C ATOM 79 C CYS A 6 -0.664 7.806 -3.222 1.00 0.00 C ATOM 80 O CYS A 6 0.317 8.201 -3.820 1.00 0.00 O ATOM 81 CB CYS A 6 -0.746 5.360 -2.770 1.00 0.00 C ATOM 82 SG CYS A 6 -0.216 4.040 -1.645 1.00 0.00 S ATOM 0 H CYS A 6 -2.537 6.687 -1.393 1.00 0.00 H new ATOM 0 HA CYS A 6 0.448 6.814 -1.678 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -1.798 5.227 -3.024 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -0.183 5.298 -3.701 1.00 0.00 H new ATOM 87 N CYS A 7 -1.854 8.283 -3.489 1.00 0.00 N ATOM 88 CA CYS A 7 -2.030 9.332 -4.547 1.00 0.00 C ATOM 89 C CYS A 7 -2.156 10.702 -3.887 1.00 0.00 C ATOM 90 O CYS A 7 -1.324 11.568 -4.072 1.00 0.00 O ATOM 91 CB CYS A 7 -3.293 9.026 -5.360 1.00 0.00 C ATOM 92 SG CYS A 7 -3.267 9.928 -6.940 1.00 0.00 S ATOM 0 H CYS A 7 -2.713 7.993 -3.022 1.00 0.00 H new ATOM 0 HA CYS A 7 -1.166 9.333 -5.212 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -3.361 7.954 -5.547 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -4.178 9.307 -4.788 1.00 0.00 H new ATOM 97 N THR A 8 -3.175 10.905 -3.103 1.00 0.00 N ATOM 98 CA THR A 8 -3.328 12.207 -2.423 1.00 0.00 C ATOM 99 C THR A 8 -2.140 12.384 -1.494 1.00 0.00 C ATOM 100 O THR A 8 -1.910 13.438 -0.936 1.00 0.00 O ATOM 101 CB THR A 8 -4.610 12.189 -1.595 1.00 0.00 C ATOM 102 OG1 THR A 8 -5.668 11.643 -2.369 1.00 0.00 O ATOM 103 CG2 THR A 8 -4.956 13.607 -1.181 1.00 0.00 C ATOM 0 H THR A 8 -3.906 10.222 -2.907 1.00 0.00 H new ATOM 0 HA THR A 8 -3.376 13.019 -3.148 1.00 0.00 H new ATOM 0 HB THR A 8 -4.465 11.576 -0.706 1.00 0.00 H new ATOM 0 HG1 THR A 8 -6.490 11.630 -1.836 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.871 13.600 -0.589 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.142 14.021 -0.586 1.00 0.00 H new ATOM 0 HG23 THR A 8 -5.104 14.220 -2.070 1.00 0.00 H new ATOM 111 N SER A 9 -1.400 11.333 -1.313 1.00 0.00 N ATOM 112 CA SER A 9 -0.237 11.389 -0.408 1.00 0.00 C ATOM 113 C SER A 9 0.667 10.185 -0.689 1.00 0.00 C ATOM 114 O SER A 9 0.243 9.203 -1.255 1.00 0.00 O ATOM 115 CB SER A 9 -0.753 11.337 1.029 1.00 0.00 C ATOM 116 OG SER A 9 -2.011 11.995 1.096 1.00 0.00 O ATOM 0 H SER A 9 -1.556 10.430 -1.760 1.00 0.00 H new ATOM 0 HA SER A 9 0.335 12.304 -0.561 1.00 0.00 H new ATOM 0 HB2 SER A 9 -0.852 10.302 1.356 1.00 0.00 H new ATOM 0 HB3 SER A 9 -0.042 11.816 1.701 1.00 0.00 H new ATOM 0 HG SER A 9 -1.915 12.917 0.779 1.00 0.00 H new ATOM 122 N ILE A 10 1.904 10.253 -0.302 1.00 0.00 N ATOM 123 CA ILE A 10 2.827 9.111 -0.554 1.00 0.00 C ATOM 124 C ILE A 10 2.663 8.062 0.550 1.00 0.00 C ATOM 125 O ILE A 10 2.506 8.390 1.709 1.00 0.00 O ATOM 126 CB ILE A 10 4.257 9.635 -0.557 1.00 0.00 C ATOM 127 CG1 ILE A 10 4.373 10.792 -1.548 1.00 0.00 C ATOM 128 CG2 ILE A 10 5.227 8.527 -0.969 1.00 0.00 C ATOM 129 CD1 ILE A 10 5.786 11.396 -1.510 1.00 0.00 C ATOM 0 H ILE A 10 2.321 11.050 0.179 1.00 0.00 H new ATOM 0 HA ILE A 10 2.597 8.650 -1.515 1.00 0.00 H new ATOM 0 HB ILE A 10 4.508 9.976 0.447 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.149 10.440 -2.555 1.00 0.00 H new ATOM 0 HG13 ILE A 10 3.637 11.559 -1.308 1.00 0.00 H new ATOM 0 HG21 ILE A 10 6.245 8.916 -0.967 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.153 7.698 -0.265 1.00 0.00 H new ATOM 0 HG23 ILE A 10 4.975 8.176 -1.970 1.00 0.00 H new ATOM 0 HD11 ILE A 10 5.849 12.219 -2.222 1.00 0.00 H new ATOM 0 HD12 ILE A 10 5.996 11.768 -0.507 1.00 0.00 H new ATOM 0 HD13 ILE A 10 6.516 10.631 -1.774 1.00 0.00 H new ATOM 141 N CYS A 11 2.701 6.798 0.194 1.00 0.00 N ATOM 142 CA CYS A 11 2.550 5.709 1.214 1.00 0.00 C ATOM 143 C CYS A 11 3.904 5.031 1.447 1.00 0.00 C ATOM 144 O CYS A 11 4.780 5.059 0.606 1.00 0.00 O ATOM 145 CB CYS A 11 1.541 4.667 0.704 1.00 0.00 C ATOM 146 SG CYS A 11 1.666 4.519 -1.093 1.00 0.00 S ATOM 0 H CYS A 11 2.831 6.473 -0.764 1.00 0.00 H new ATOM 0 HA CYS A 11 2.193 6.138 2.150 1.00 0.00 H new ATOM 0 HB2 CYS A 11 1.734 3.702 1.172 1.00 0.00 H new ATOM 0 HB3 CYS A 11 0.529 4.960 0.984 1.00 0.00 H new ATOM 151 N SER A 12 4.071 4.408 2.586 1.00 0.00 N ATOM 152 CA SER A 12 5.354 3.706 2.892 1.00 0.00 C ATOM 153 C SER A 12 5.169 2.209 2.651 1.00 0.00 C ATOM 154 O SER A 12 4.096 1.669 2.837 1.00 0.00 O ATOM 155 CB SER A 12 5.728 3.944 4.354 1.00 0.00 C ATOM 156 OG SER A 12 6.116 5.301 4.524 1.00 0.00 O ATOM 0 H SER A 12 3.368 4.355 3.323 1.00 0.00 H new ATOM 0 HA SER A 12 6.148 4.089 2.250 1.00 0.00 H new ATOM 0 HB2 SER A 12 4.882 3.712 5.000 1.00 0.00 H new ATOM 0 HB3 SER A 12 6.543 3.281 4.646 1.00 0.00 H new ATOM 0 HG SER A 12 6.355 5.458 5.461 1.00 0.00 H new ATOM 162 N LEU A 13 6.205 1.537 2.229 1.00 0.00 N ATOM 163 CA LEU A 13 6.108 0.078 1.961 1.00 0.00 C ATOM 164 C LEU A 13 5.327 -0.613 3.083 1.00 0.00 C ATOM 165 O LEU A 13 4.609 -1.561 2.853 1.00 0.00 O ATOM 166 CB LEU A 13 7.539 -0.493 1.883 1.00 0.00 C ATOM 167 CG LEU A 13 7.628 -1.619 0.841 1.00 0.00 C ATOM 168 CD1 LEU A 13 7.352 -1.069 -0.576 1.00 0.00 C ATOM 169 CD2 LEU A 13 9.033 -2.230 0.903 1.00 0.00 C ATOM 0 H LEU A 13 7.124 1.944 2.057 1.00 0.00 H new ATOM 0 HA LEU A 13 5.582 -0.096 1.022 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.238 0.302 1.624 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.836 -0.873 2.860 1.00 0.00 H new ATOM 0 HG LEU A 13 6.879 -2.380 1.060 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.419 -1.880 -1.301 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.353 -0.635 -0.609 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.089 -0.303 -0.819 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.114 -3.032 0.169 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.774 -1.461 0.684 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.211 -2.632 1.900 1.00 0.00 H new ATOM 181 N TYR A 14 5.455 -0.154 4.292 1.00 0.00 N ATOM 182 CA TYR A 14 4.706 -0.817 5.395 1.00 0.00 C ATOM 183 C TYR A 14 3.206 -0.638 5.142 1.00 0.00 C ATOM 184 O TYR A 14 2.408 -1.507 5.433 1.00 0.00 O ATOM 185 CB TYR A 14 5.138 -0.212 6.755 1.00 0.00 C ATOM 186 CG TYR A 14 4.028 0.613 7.376 1.00 0.00 C ATOM 187 CD1 TYR A 14 4.117 2.002 7.396 1.00 0.00 C ATOM 188 CD2 TYR A 14 2.920 -0.025 7.934 1.00 0.00 C ATOM 189 CE1 TYR A 14 3.098 2.764 7.978 1.00 0.00 C ATOM 190 CE2 TYR A 14 1.897 0.730 8.515 1.00 0.00 C ATOM 191 CZ TYR A 14 1.986 2.126 8.540 1.00 0.00 C ATOM 192 OH TYR A 14 0.978 2.873 9.116 1.00 0.00 O ATOM 0 H TYR A 14 6.036 0.639 4.565 1.00 0.00 H new ATOM 0 HA TYR A 14 4.927 -1.884 5.427 1.00 0.00 H new ATOM 0 HB2 TYR A 14 5.422 -1.014 7.437 1.00 0.00 H new ATOM 0 HB3 TYR A 14 6.020 0.412 6.613 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.975 2.493 6.961 1.00 0.00 H new ATOM 0 HD2 TYR A 14 2.853 -1.103 7.917 1.00 0.00 H new ATOM 0 HE1 TYR A 14 3.169 3.842 7.994 1.00 0.00 H new ATOM 0 HE2 TYR A 14 1.038 0.236 8.944 1.00 0.00 H new ATOM 0 HH TYR A 14 0.281 2.274 9.457 1.00 0.00 H new ATOM 202 N GLN A 15 2.821 0.480 4.594 1.00 0.00 N ATOM 203 CA GLN A 15 1.385 0.706 4.318 1.00 0.00 C ATOM 204 C GLN A 15 1.016 -0.068 3.056 1.00 0.00 C ATOM 205 O GLN A 15 -0.095 -0.519 2.893 1.00 0.00 O ATOM 206 CB GLN A 15 1.124 2.196 4.087 1.00 0.00 C ATOM 207 CG GLN A 15 1.731 3.015 5.223 1.00 0.00 C ATOM 208 CD GLN A 15 1.579 4.500 4.902 1.00 0.00 C ATOM 209 OE1 GLN A 15 0.989 4.850 3.795 1.00 0.00 O flip ATOM 210 NE2 GLN A 15 2.001 5.348 5.664 1.00 0.00 N flip ATOM 0 H GLN A 15 3.442 1.244 4.327 1.00 0.00 H new ATOM 0 HA GLN A 15 0.787 0.370 5.166 1.00 0.00 H new ATOM 0 HB2 GLN A 15 1.554 2.505 3.134 1.00 0.00 H new ATOM 0 HB3 GLN A 15 0.051 2.381 4.027 1.00 0.00 H new ATOM 0 HG2 GLN A 15 1.233 2.780 6.164 1.00 0.00 H new ATOM 0 HG3 GLN A 15 2.784 2.763 5.348 1.00 0.00 H new ATOM 0 HE21 GLN A 15 2.463 5.071 6.530 1.00 0.00 H new ATOM 0 HE22 GLN A 15 1.893 6.337 5.437 1.00 0.00 H new ATOM 219 N LEU A 16 1.952 -0.217 2.158 1.00 0.00 N ATOM 220 CA LEU A 16 1.683 -0.954 0.900 1.00 0.00 C ATOM 221 C LEU A 16 1.626 -2.454 1.200 1.00 0.00 C ATOM 222 O LEU A 16 0.704 -3.143 0.809 1.00 0.00 O ATOM 223 CB LEU A 16 2.828 -0.646 -0.086 1.00 0.00 C ATOM 224 CG LEU A 16 2.329 -0.641 -1.540 1.00 0.00 C ATOM 225 CD1 LEU A 16 1.236 0.428 -1.731 1.00 0.00 C ATOM 226 CD2 LEU A 16 3.512 -0.369 -2.495 1.00 0.00 C ATOM 0 H LEU A 16 2.901 0.146 2.248 1.00 0.00 H new ATOM 0 HA LEU A 16 0.731 -0.650 0.465 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.266 0.323 0.153 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.617 -1.389 0.027 1.00 0.00 H new ATOM 0 HG LEU A 16 1.900 -1.616 -1.769 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.894 0.418 -2.766 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.397 0.213 -1.069 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.643 1.411 -1.493 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.155 -0.366 -3.525 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.953 0.600 -2.261 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.264 -1.149 -2.374 1.00 0.00 H new ATOM 238 N GLU A 17 2.601 -2.960 1.901 1.00 0.00 N ATOM 239 CA GLU A 17 2.598 -4.411 2.237 1.00 0.00 C ATOM 240 C GLU A 17 1.373 -4.699 3.098 1.00 0.00 C ATOM 241 O GLU A 17 0.899 -5.813 3.194 1.00 0.00 O ATOM 242 CB GLU A 17 3.858 -4.754 3.041 1.00 0.00 C ATOM 243 CG GLU A 17 5.113 -4.408 2.229 1.00 0.00 C ATOM 244 CD GLU A 17 6.301 -4.185 3.171 1.00 0.00 C ATOM 245 OE1 GLU A 17 7.368 -4.698 2.878 1.00 0.00 O ATOM 246 OE2 GLU A 17 6.122 -3.506 4.168 1.00 0.00 O ATOM 0 H GLU A 17 3.399 -2.433 2.256 1.00 0.00 H new ATOM 0 HA GLU A 17 2.577 -5.005 1.324 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.860 -4.202 3.981 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.860 -5.814 3.294 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.338 -5.214 1.531 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.936 -3.512 1.635 1.00 0.00 H new ATOM 253 N ASN A 18 0.880 -3.682 3.737 1.00 0.00 N ATOM 254 CA ASN A 18 -0.303 -3.830 4.629 1.00 0.00 C ATOM 255 C ASN A 18 -1.548 -4.228 3.809 1.00 0.00 C ATOM 256 O ASN A 18 -2.388 -4.971 4.278 1.00 0.00 O ATOM 257 CB ASN A 18 -0.518 -2.477 5.345 1.00 0.00 C ATOM 258 CG ASN A 18 -0.046 -2.538 6.790 1.00 0.00 C ATOM 259 OD1 ASN A 18 0.599 -1.526 7.283 1.00 0.00 O flip ATOM 260 ND2 ASN A 18 -0.268 -3.515 7.477 1.00 0.00 N flip ATOM 0 H ASN A 18 1.252 -2.734 3.679 1.00 0.00 H new ATOM 0 HA ASN A 18 -0.136 -4.618 5.363 1.00 0.00 H new ATOM 0 HB2 ASN A 18 0.023 -1.693 4.816 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -1.575 -2.211 5.316 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -0.775 -4.309 7.086 1.00 0.00 H new ATOM 0 HD22 ASN A 18 0.053 -3.542 8.445 1.00 0.00 H new ATOM 267 N TYR A 19 -1.681 -3.753 2.594 1.00 0.00 N ATOM 268 CA TYR A 19 -2.880 -4.131 1.778 1.00 0.00 C ATOM 269 C TYR A 19 -2.630 -5.476 1.104 1.00 0.00 C ATOM 270 O TYR A 19 -3.474 -5.993 0.399 1.00 0.00 O ATOM 271 CB TYR A 19 -3.140 -3.068 0.710 1.00 0.00 C ATOM 272 CG TYR A 19 -3.544 -1.778 1.381 1.00 0.00 C ATOM 273 CD1 TYR A 19 -4.860 -1.591 1.823 1.00 0.00 C ATOM 274 CD2 TYR A 19 -2.597 -0.770 1.562 1.00 0.00 C ATOM 275 CE1 TYR A 19 -5.224 -0.392 2.449 1.00 0.00 C ATOM 276 CE2 TYR A 19 -2.958 0.430 2.188 1.00 0.00 C ATOM 277 CZ TYR A 19 -4.272 0.619 2.632 1.00 0.00 C ATOM 278 OH TYR A 19 -4.629 1.800 3.249 1.00 0.00 O ATOM 0 H TYR A 19 -1.020 -3.127 2.135 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.750 -4.203 2.431 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -2.244 -2.914 0.108 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -3.926 -3.401 0.032 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -5.594 -2.371 1.681 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -1.583 -0.915 1.219 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -6.238 -0.247 2.790 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -2.223 1.209 2.328 1.00 0.00 H new ATOM 0 HH TYR A 19 -3.850 2.393 3.297 1.00 0.00 H new ATOM 288 N CYS A 20 -1.474 -6.047 1.318 1.00 0.00 N ATOM 289 CA CYS A 20 -1.148 -7.364 0.697 1.00 0.00 C ATOM 290 C CYS A 20 -1.264 -8.472 1.741 1.00 0.00 C ATOM 291 O CYS A 20 -0.985 -8.278 2.907 1.00 0.00 O ATOM 292 CB CYS A 20 0.272 -7.329 0.148 1.00 0.00 C ATOM 293 SG CYS A 20 0.765 -9.001 -0.327 1.00 0.00 S ATOM 0 H CYS A 20 -0.736 -5.654 1.902 1.00 0.00 H new ATOM 0 HA CYS A 20 -1.848 -7.561 -0.115 1.00 0.00 H new ATOM 0 HB2 CYS A 20 0.326 -6.663 -0.713 1.00 0.00 H new ATOM 0 HB3 CYS A 20 0.956 -6.935 0.900 1.00 0.00 H new ATOM 298 N ASN A 21 -1.676 -9.634 1.323 1.00 0.00 N ATOM 299 CA ASN A 21 -1.817 -10.766 2.269 1.00 0.00 C ATOM 300 C ASN A 21 -0.483 -11.013 2.977 1.00 0.00 C ATOM 301 O ASN A 21 0.395 -11.592 2.359 1.00 0.00 O ATOM 302 CB ASN A 21 -2.220 -12.008 1.481 1.00 0.00 C ATOM 303 CG ASN A 21 -3.612 -11.803 0.883 1.00 0.00 C ATOM 304 OD1 ASN A 21 -4.152 -10.716 0.931 1.00 0.00 O ATOM 305 ND2 ASN A 21 -4.219 -12.810 0.317 1.00 0.00 N ATOM 306 OXT ASN A 21 -0.363 -10.620 4.126 1.00 0.00 O ATOM 0 H ASN A 21 -1.923 -9.847 0.357 1.00 0.00 H new ATOM 0 HA ASN A 21 -2.576 -10.537 3.017 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.497 -12.199 0.688 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -2.218 -12.882 2.133 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -5.148 -12.685 -0.086 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -3.765 -13.722 0.277 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 22 12.281 1.559 -0.800 1.00 0.00 N ATOM 315 CA PHE B 22 11.291 1.953 -1.842 1.00 0.00 C ATOM 316 C PHE B 22 11.212 3.483 -1.908 1.00 0.00 C ATOM 317 O PHE B 22 10.961 4.141 -0.918 1.00 0.00 O ATOM 318 CB PHE B 22 9.913 1.369 -1.478 1.00 0.00 C ATOM 319 CG PHE B 22 9.088 1.160 -2.729 1.00 0.00 C ATOM 320 CD1 PHE B 22 8.266 2.186 -3.212 1.00 0.00 C ATOM 321 CD2 PHE B 22 9.147 -0.064 -3.402 1.00 0.00 C ATOM 322 CE1 PHE B 22 7.503 1.984 -4.369 1.00 0.00 C ATOM 323 CE2 PHE B 22 8.385 -0.266 -4.559 1.00 0.00 C ATOM 324 CZ PHE B 22 7.563 0.758 -5.042 1.00 0.00 C ATOM 0 HA PHE B 22 11.598 1.567 -2.814 1.00 0.00 H new ATOM 0 HB2 PHE B 22 10.038 0.422 -0.954 1.00 0.00 H new ATOM 0 HB3 PHE B 22 9.392 2.043 -0.798 1.00 0.00 H new ATOM 0 HD1 PHE B 22 8.221 3.132 -2.693 1.00 0.00 H new ATOM 0 HD2 PHE B 22 9.781 -0.855 -3.029 1.00 0.00 H new ATOM 0 HE1 PHE B 22 6.868 2.774 -4.742 1.00 0.00 H new ATOM 0 HE2 PHE B 22 8.432 -1.212 -5.078 1.00 0.00 H new ATOM 0 HZ PHE B 22 6.975 0.603 -5.934 1.00 0.00 H new ATOM 336 N VAL B 23 11.424 4.055 -3.061 1.00 0.00 N ATOM 337 CA VAL B 23 11.359 5.540 -3.171 1.00 0.00 C ATOM 338 C VAL B 23 10.020 6.033 -2.631 1.00 0.00 C ATOM 339 O VAL B 23 9.026 5.336 -2.677 1.00 0.00 O ATOM 340 CB VAL B 23 11.484 5.963 -4.632 1.00 0.00 C ATOM 341 CG1 VAL B 23 10.303 5.400 -5.426 1.00 0.00 C ATOM 342 CG2 VAL B 23 11.467 7.492 -4.710 1.00 0.00 C ATOM 0 H VAL B 23 11.638 3.562 -3.928 1.00 0.00 H new ATOM 0 HA VAL B 23 12.178 5.971 -2.595 1.00 0.00 H new ATOM 0 HB VAL B 23 12.416 5.582 -5.050 1.00 0.00 H new ATOM 0 HG11 VAL B 23 10.390 5.701 -6.470 1.00 0.00 H new ATOM 0 HG12 VAL B 23 10.306 4.312 -5.360 1.00 0.00 H new ATOM 0 HG13 VAL B 23 9.371 5.786 -5.014 1.00 0.00 H new ATOM 0 HG21 VAL B 23 11.556 7.804 -5.751 1.00 0.00 H new ATOM 0 HG22 VAL B 23 10.530 7.867 -4.297 1.00 0.00 H new ATOM 0 HG23 VAL B 23 12.303 7.895 -4.138 1.00 0.00 H new ATOM 352 N ASN B 24 9.986 7.233 -2.117 1.00 0.00 N ATOM 353 CA ASN B 24 8.719 7.791 -1.567 1.00 0.00 C ATOM 354 C ASN B 24 8.104 8.760 -2.588 1.00 0.00 C ATOM 355 O ASN B 24 8.325 9.955 -2.542 1.00 0.00 O ATOM 356 CB ASN B 24 9.034 8.533 -0.263 1.00 0.00 C ATOM 357 CG ASN B 24 10.212 7.867 0.449 1.00 0.00 C ATOM 358 OD1 ASN B 24 10.550 6.734 0.169 1.00 0.00 O ATOM 359 ND2 ASN B 24 10.852 8.530 1.370 1.00 0.00 N ATOM 0 H ASN B 24 10.791 7.856 -2.055 1.00 0.00 H new ATOM 0 HA ASN B 24 8.008 6.989 -1.368 1.00 0.00 H new ATOM 0 HB2 ASN B 24 9.270 9.575 -0.477 1.00 0.00 H new ATOM 0 HB3 ASN B 24 8.158 8.531 0.386 1.00 0.00 H new ATOM 0 HD21 ASN B 24 11.637 8.098 1.857 1.00 0.00 H new ATOM 0 HD22 ASN B 24 10.568 9.481 1.604 1.00 0.00 H new ATOM 366 N GLN B 25 7.343 8.246 -3.514 1.00 0.00 N ATOM 367 CA GLN B 25 6.706 9.098 -4.556 1.00 0.00 C ATOM 368 C GLN B 25 5.191 8.869 -4.572 1.00 0.00 C ATOM 369 O GLN B 25 4.713 7.786 -4.300 1.00 0.00 O ATOM 370 CB GLN B 25 7.274 8.712 -5.913 1.00 0.00 C ATOM 371 CG GLN B 25 7.010 7.230 -6.175 1.00 0.00 C ATOM 372 CD GLN B 25 7.939 6.737 -7.273 1.00 0.00 C ATOM 373 OE1 GLN B 25 8.312 5.582 -7.304 1.00 0.00 O ATOM 374 NE2 GLN B 25 8.324 7.575 -8.185 1.00 0.00 N ATOM 0 H GLN B 25 7.132 7.251 -3.593 1.00 0.00 H new ATOM 0 HA GLN B 25 6.908 10.147 -4.338 1.00 0.00 H new ATOM 0 HB2 GLN B 25 6.817 9.317 -6.696 1.00 0.00 H new ATOM 0 HB3 GLN B 25 8.345 8.912 -5.941 1.00 0.00 H new ATOM 0 HG2 GLN B 25 7.169 6.654 -5.263 1.00 0.00 H new ATOM 0 HG3 GLN B 25 5.971 7.081 -6.469 1.00 0.00 H new ATOM 0 HE21 GLN B 25 8.007 8.544 -8.154 1.00 0.00 H new ATOM 0 HE22 GLN B 25 8.944 7.265 -8.934 1.00 0.00 H new ATOM 383 N HIS B 26 4.433 9.886 -4.889 1.00 0.00 N ATOM 384 CA HIS B 26 2.954 9.741 -4.927 1.00 0.00 C ATOM 385 C HIS B 26 2.534 8.846 -6.093 1.00 0.00 C ATOM 386 O HIS B 26 2.650 9.216 -7.245 1.00 0.00 O ATOM 387 CB HIS B 26 2.335 11.124 -5.110 1.00 0.00 C ATOM 388 CG HIS B 26 3.041 12.094 -4.222 1.00 0.00 C ATOM 389 ND1 HIS B 26 4.386 12.398 -4.356 1.00 0.00 N ATOM 390 CD2 HIS B 26 2.601 12.811 -3.159 1.00 0.00 C ATOM 391 CE1 HIS B 26 4.696 13.268 -3.378 1.00 0.00 C ATOM 392 NE2 HIS B 26 3.639 13.556 -2.628 1.00 0.00 N ATOM 0 H HIS B 26 4.781 10.816 -5.124 1.00 0.00 H new ATOM 0 HA HIS B 26 2.613 9.287 -3.997 1.00 0.00 H new ATOM 0 HB2 HIS B 26 2.416 11.438 -6.151 1.00 0.00 H new ATOM 0 HB3 HIS B 26 1.273 11.096 -4.868 1.00 0.00 H new ATOM 0 HD2 HIS B 26 1.589 12.802 -2.782 1.00 0.00 H new ATOM 0 HE1 HIS B 26 5.682 13.681 -3.222 1.00 0.00 H new ATOM 0 HE2 HIS B 26 3.600 14.191 -1.831 1.00 0.00 H new ATOM 401 N LEU B 27 2.039 7.674 -5.804 1.00 0.00 N ATOM 402 CA LEU B 27 1.601 6.755 -6.892 1.00 0.00 C ATOM 403 C LEU B 27 0.126 6.996 -7.209 1.00 0.00 C ATOM 404 O LEU B 27 -0.654 7.370 -6.358 1.00 0.00 O ATOM 405 CB LEU B 27 1.762 5.302 -6.447 1.00 0.00 C ATOM 406 CG LEU B 27 3.140 5.078 -5.812 1.00 0.00 C ATOM 407 CD1 LEU B 27 3.128 3.771 -5.024 1.00 0.00 C ATOM 408 CD2 LEU B 27 4.197 4.990 -6.912 1.00 0.00 C ATOM 0 H LEU B 27 1.919 7.312 -4.858 1.00 0.00 H new ATOM 0 HA LEU B 27 2.214 6.946 -7.773 1.00 0.00 H new ATOM 0 HB2 LEU B 27 0.981 5.047 -5.731 1.00 0.00 H new ATOM 0 HB3 LEU B 27 1.639 4.639 -7.303 1.00 0.00 H new ATOM 0 HG LEU B 27 3.372 5.908 -5.145 1.00 0.00 H new ATOM 0 HD11 LEU B 27 4.107 3.610 -4.572 1.00 0.00 H new ATOM 0 HD12 LEU B 27 2.371 3.825 -4.242 1.00 0.00 H new ATOM 0 HD13 LEU B 27 2.898 2.944 -5.695 1.00 0.00 H new ATOM 0 HD21 LEU B 27 5.177 4.831 -6.463 1.00 0.00 H new ATOM 0 HD22 LEU B 27 3.963 4.158 -7.576 1.00 0.00 H new ATOM 0 HD23 LEU B 27 4.206 5.918 -7.483 1.00 0.00 H new ATOM 420 N CYS B 28 -0.255 6.751 -8.427 1.00 0.00 N ATOM 421 CA CYS B 28 -1.673 6.928 -8.833 1.00 0.00 C ATOM 422 C CYS B 28 -1.933 6.036 -10.047 1.00 0.00 C ATOM 423 O CYS B 28 -1.060 5.317 -10.491 1.00 0.00 O ATOM 424 CB CYS B 28 -1.926 8.390 -9.205 1.00 0.00 C ATOM 425 SG CYS B 28 -1.497 9.460 -7.807 1.00 0.00 S ATOM 0 H CYS B 28 0.366 6.431 -9.170 1.00 0.00 H new ATOM 0 HA CYS B 28 -2.338 6.656 -8.013 1.00 0.00 H new ATOM 0 HB2 CYS B 28 -1.332 8.661 -10.078 1.00 0.00 H new ATOM 0 HB3 CYS B 28 -2.973 8.531 -9.475 1.00 0.00 H new ATOM 430 N GLY B 29 -3.116 6.065 -10.593 1.00 0.00 N ATOM 431 CA GLY B 29 -3.397 5.202 -11.776 1.00 0.00 C ATOM 432 C GLY B 29 -2.950 3.773 -11.476 1.00 0.00 C ATOM 433 O GLY B 29 -3.073 3.293 -10.366 1.00 0.00 O ATOM 0 H GLY B 29 -3.895 6.643 -10.276 1.00 0.00 H new ATOM 0 HA2 GLY B 29 -4.462 5.221 -12.010 1.00 0.00 H new ATOM 0 HA3 GLY B 29 -2.872 5.583 -12.652 1.00 0.00 H new ATOM 437 N SER B 30 -2.431 3.088 -12.454 1.00 0.00 N ATOM 438 CA SER B 30 -1.976 1.688 -12.222 1.00 0.00 C ATOM 439 C SER B 30 -0.609 1.693 -11.526 1.00 0.00 C ATOM 440 O SER B 30 -0.204 0.710 -10.939 1.00 0.00 O ATOM 441 CB SER B 30 -1.877 0.948 -13.557 1.00 0.00 C ATOM 442 OG SER B 30 -2.958 1.342 -14.392 1.00 0.00 O ATOM 0 H SER B 30 -2.302 3.435 -13.404 1.00 0.00 H new ATOM 0 HA SER B 30 -2.698 1.179 -11.584 1.00 0.00 H new ATOM 0 HB2 SER B 30 -0.927 1.173 -14.042 1.00 0.00 H new ATOM 0 HB3 SER B 30 -1.903 -0.129 -13.392 1.00 0.00 H new ATOM 0 HG SER B 30 -2.897 0.871 -15.249 1.00 0.00 H new ATOM 448 N ASP B 31 0.103 2.792 -11.575 1.00 0.00 N ATOM 449 CA ASP B 31 1.439 2.846 -10.898 1.00 0.00 C ATOM 450 C ASP B 31 1.288 2.292 -9.485 1.00 0.00 C ATOM 451 O ASP B 31 2.028 1.433 -9.048 1.00 0.00 O ATOM 452 CB ASP B 31 1.923 4.298 -10.814 1.00 0.00 C ATOM 453 CG ASP B 31 1.900 4.928 -12.208 1.00 0.00 C ATOM 454 OD1 ASP B 31 1.752 4.189 -13.168 1.00 0.00 O ATOM 455 OD2 ASP B 31 2.032 6.138 -12.292 1.00 0.00 O ATOM 0 H ASP B 31 -0.179 3.649 -12.051 1.00 0.00 H new ATOM 0 HA ASP B 31 2.162 2.259 -11.465 1.00 0.00 H new ATOM 0 HB2 ASP B 31 1.285 4.866 -10.137 1.00 0.00 H new ATOM 0 HB3 ASP B 31 2.933 4.332 -10.405 1.00 0.00 H new ATOM 460 N LEU B 32 0.311 2.779 -8.783 1.00 0.00 N ATOM 461 CA LEU B 32 0.050 2.305 -7.402 1.00 0.00 C ATOM 462 C LEU B 32 -0.203 0.800 -7.434 1.00 0.00 C ATOM 463 O LEU B 32 0.471 0.031 -6.778 1.00 0.00 O ATOM 464 CB LEU B 32 -1.191 3.034 -6.895 1.00 0.00 C ATOM 465 CG LEU B 32 -1.688 2.422 -5.589 1.00 0.00 C ATOM 466 CD1 LEU B 32 -0.541 2.345 -4.571 1.00 0.00 C ATOM 467 CD2 LEU B 32 -2.807 3.309 -5.052 1.00 0.00 C ATOM 0 H LEU B 32 -0.330 3.500 -9.114 1.00 0.00 H new ATOM 0 HA LEU B 32 0.898 2.504 -6.747 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -0.961 4.088 -6.742 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -1.979 2.985 -7.647 1.00 0.00 H new ATOM 0 HG LEU B 32 -2.056 1.411 -5.761 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -0.907 1.907 -3.643 1.00 0.00 H new ATOM 0 HD12 LEU B 32 0.261 1.726 -4.973 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -0.162 3.348 -4.374 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -3.182 2.895 -4.116 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -2.422 4.313 -4.876 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -3.617 3.354 -5.780 1.00 0.00 H new ATOM 479 N VAL B 33 -1.166 0.371 -8.202 1.00 0.00 N ATOM 480 CA VAL B 33 -1.454 -1.086 -8.284 1.00 0.00 C ATOM 481 C VAL B 33 -0.164 -1.825 -8.578 1.00 0.00 C ATOM 482 O VAL B 33 0.257 -2.691 -7.837 1.00 0.00 O ATOM 483 CB VAL B 33 -2.432 -1.358 -9.431 1.00 0.00 C ATOM 484 CG1 VAL B 33 -2.389 -2.850 -9.816 1.00 0.00 C ATOM 485 CG2 VAL B 33 -3.838 -0.977 -8.987 1.00 0.00 C ATOM 0 H VAL B 33 -1.764 0.966 -8.775 1.00 0.00 H new ATOM 0 HA VAL B 33 -1.886 -1.420 -7.341 1.00 0.00 H new ATOM 0 HB VAL B 33 -2.150 -0.764 -10.300 1.00 0.00 H new ATOM 0 HG11 VAL B 33 -3.087 -3.035 -10.632 1.00 0.00 H new ATOM 0 HG12 VAL B 33 -1.381 -3.115 -10.134 1.00 0.00 H new ATOM 0 HG13 VAL B 33 -2.669 -3.456 -8.954 1.00 0.00 H new ATOM 0 HG21 VAL B 33 -4.540 -1.168 -9.799 1.00 0.00 H new ATOM 0 HG22 VAL B 33 -4.118 -1.571 -8.117 1.00 0.00 H new ATOM 0 HG23 VAL B 33 -3.863 0.081 -8.727 1.00 0.00 H new ATOM 495 N GLU B 34 0.443 -1.495 -9.682 1.00 0.00 N ATOM 496 CA GLU B 34 1.691 -2.162 -10.086 1.00 0.00 C ATOM 497 C GLU B 34 2.586 -2.335 -8.864 1.00 0.00 C ATOM 498 O GLU B 34 3.163 -3.379 -8.647 1.00 0.00 O ATOM 499 CB GLU B 34 2.373 -1.286 -11.129 1.00 0.00 C ATOM 500 CG GLU B 34 1.758 -1.544 -12.515 1.00 0.00 C ATOM 501 CD GLU B 34 2.425 -2.760 -13.166 1.00 0.00 C ATOM 502 OE1 GLU B 34 1.747 -3.758 -13.345 1.00 0.00 O ATOM 503 OE2 GLU B 34 3.603 -2.671 -13.473 1.00 0.00 O ATOM 0 H GLU B 34 0.114 -0.777 -10.327 1.00 0.00 H new ATOM 0 HA GLU B 34 1.490 -3.147 -10.507 1.00 0.00 H new ATOM 0 HB2 GLU B 34 2.262 -0.235 -10.862 1.00 0.00 H new ATOM 0 HB3 GLU B 34 3.442 -1.498 -11.151 1.00 0.00 H new ATOM 0 HG2 GLU B 34 0.686 -1.714 -12.420 1.00 0.00 H new ATOM 0 HG3 GLU B 34 1.886 -0.666 -13.148 1.00 0.00 H new ATOM 510 N ALA B 35 2.673 -1.323 -8.049 1.00 0.00 N ATOM 511 CA ALA B 35 3.498 -1.439 -6.827 1.00 0.00 C ATOM 512 C ALA B 35 2.993 -2.635 -6.031 1.00 0.00 C ATOM 513 O ALA B 35 3.704 -3.586 -5.822 1.00 0.00 O ATOM 514 CB ALA B 35 3.370 -0.158 -6.004 1.00 0.00 C ATOM 0 H ALA B 35 2.208 -0.425 -8.180 1.00 0.00 H new ATOM 0 HA ALA B 35 4.549 -1.581 -7.081 1.00 0.00 H new ATOM 0 HB1 ALA B 35 3.978 -0.242 -5.103 1.00 0.00 H new ATOM 0 HB2 ALA B 35 3.714 0.690 -6.596 1.00 0.00 H new ATOM 0 HB3 ALA B 35 2.327 -0.007 -5.725 1.00 0.00 H new ATOM 520 N LEU B 36 1.759 -2.626 -5.614 1.00 0.00 N ATOM 521 CA LEU B 36 1.240 -3.804 -4.869 1.00 0.00 C ATOM 522 C LEU B 36 1.539 -5.051 -5.687 1.00 0.00 C ATOM 523 O LEU B 36 2.077 -6.022 -5.195 1.00 0.00 O ATOM 524 CB LEU B 36 -0.271 -3.685 -4.685 1.00 0.00 C ATOM 525 CG LEU B 36 -0.599 -2.523 -3.733 1.00 0.00 C ATOM 526 CD1 LEU B 36 -2.028 -2.050 -3.977 1.00 0.00 C ATOM 527 CD2 LEU B 36 -0.489 -2.992 -2.281 1.00 0.00 C ATOM 0 H LEU B 36 1.095 -1.865 -5.754 1.00 0.00 H new ATOM 0 HA LEU B 36 1.714 -3.858 -3.889 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -0.751 -3.521 -5.650 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -0.671 -4.617 -4.285 1.00 0.00 H new ATOM 0 HG LEU B 36 0.105 -1.711 -3.916 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -2.259 -1.226 -3.301 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -2.128 -1.712 -5.009 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -2.720 -2.873 -3.796 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -0.723 -2.164 -1.612 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -1.191 -3.807 -2.108 1.00 0.00 H new ATOM 0 HD23 LEU B 36 0.526 -3.340 -2.087 1.00 0.00 H new ATOM 539 N TYR B 37 1.216 -5.018 -6.948 1.00 0.00 N ATOM 540 CA TYR B 37 1.506 -6.185 -7.813 1.00 0.00 C ATOM 541 C TYR B 37 2.995 -6.510 -7.662 1.00 0.00 C ATOM 542 O TYR B 37 3.425 -7.631 -7.833 1.00 0.00 O ATOM 543 CB TYR B 37 1.174 -5.823 -9.267 1.00 0.00 C ATOM 544 CG TYR B 37 1.033 -7.084 -10.089 1.00 0.00 C ATOM 545 CD1 TYR B 37 -0.239 -7.583 -10.394 1.00 0.00 C ATOM 546 CD2 TYR B 37 2.175 -7.752 -10.545 1.00 0.00 C ATOM 547 CE1 TYR B 37 -0.369 -8.751 -11.155 1.00 0.00 C ATOM 548 CE2 TYR B 37 2.046 -8.920 -11.306 1.00 0.00 C ATOM 549 CZ TYR B 37 0.774 -9.420 -11.611 1.00 0.00 C ATOM 550 OH TYR B 37 0.646 -10.571 -12.361 1.00 0.00 O ATOM 0 H TYR B 37 0.764 -4.232 -7.414 1.00 0.00 H new ATOM 0 HA TYR B 37 0.908 -7.051 -7.530 1.00 0.00 H new ATOM 0 HB2 TYR B 37 0.249 -5.247 -9.306 1.00 0.00 H new ATOM 0 HB3 TYR B 37 1.960 -5.193 -9.683 1.00 0.00 H new ATOM 0 HD1 TYR B 37 -1.120 -7.067 -10.042 1.00 0.00 H new ATOM 0 HD2 TYR B 37 3.156 -7.366 -10.310 1.00 0.00 H new ATOM 0 HE1 TYR B 37 -1.350 -9.136 -11.390 1.00 0.00 H new ATOM 0 HE2 TYR B 37 2.927 -9.435 -11.658 1.00 0.00 H new ATOM 0 HH TYR B 37 1.535 -10.908 -12.597 1.00 0.00 H new ATOM 560 N LEU B 38 3.773 -5.518 -7.312 1.00 0.00 N ATOM 561 CA LEU B 38 5.231 -5.718 -7.103 1.00 0.00 C ATOM 562 C LEU B 38 5.447 -6.207 -5.662 1.00 0.00 C ATOM 563 O LEU B 38 5.911 -7.304 -5.421 1.00 0.00 O ATOM 564 CB LEU B 38 5.920 -4.360 -7.318 1.00 0.00 C ATOM 565 CG LEU B 38 7.363 -4.530 -7.801 1.00 0.00 C ATOM 566 CD1 LEU B 38 7.390 -4.783 -9.310 1.00 0.00 C ATOM 567 CD2 LEU B 38 8.125 -3.239 -7.503 1.00 0.00 C ATOM 0 H LEU B 38 3.450 -4.563 -7.161 1.00 0.00 H new ATOM 0 HA LEU B 38 5.643 -6.453 -7.794 1.00 0.00 H new ATOM 0 HB2 LEU B 38 5.358 -3.778 -8.048 1.00 0.00 H new ATOM 0 HB3 LEU B 38 5.912 -3.796 -6.386 1.00 0.00 H new ATOM 0 HG LEU B 38 7.820 -5.378 -7.291 1.00 0.00 H new ATOM 0 HD11 LEU B 38 8.422 -4.902 -9.641 1.00 0.00 H new ATOM 0 HD12 LEU B 38 6.829 -5.690 -9.537 1.00 0.00 H new ATOM 0 HD13 LEU B 38 6.938 -3.938 -9.829 1.00 0.00 H new ATOM 0 HD21 LEU B 38 9.157 -3.339 -7.840 1.00 0.00 H new ATOM 0 HD22 LEU B 38 7.652 -2.408 -8.026 1.00 0.00 H new ATOM 0 HD23 LEU B 38 8.111 -3.047 -6.430 1.00 0.00 H new ATOM 579 N VAL B 39 5.094 -5.384 -4.709 1.00 0.00 N ATOM 580 CA VAL B 39 5.241 -5.751 -3.274 1.00 0.00 C ATOM 581 C VAL B 39 4.557 -7.092 -3.016 1.00 0.00 C ATOM 582 O VAL B 39 5.159 -8.034 -2.541 1.00 0.00 O ATOM 583 CB VAL B 39 4.559 -4.668 -2.421 1.00 0.00 C ATOM 584 CG1 VAL B 39 4.774 -4.938 -0.937 1.00 0.00 C ATOM 585 CG2 VAL B 39 5.146 -3.305 -2.756 1.00 0.00 C ATOM 0 H VAL B 39 4.703 -4.456 -4.871 1.00 0.00 H new ATOM 0 HA VAL B 39 6.297 -5.829 -3.017 1.00 0.00 H new ATOM 0 HB VAL B 39 3.491 -4.684 -2.640 1.00 0.00 H new ATOM 0 HG11 VAL B 39 4.284 -4.161 -0.351 1.00 0.00 H new ATOM 0 HG12 VAL B 39 4.351 -5.909 -0.679 1.00 0.00 H new ATOM 0 HG13 VAL B 39 5.842 -4.938 -0.718 1.00 0.00 H new ATOM 0 HG21 VAL B 39 4.660 -2.541 -2.150 1.00 0.00 H new ATOM 0 HG22 VAL B 39 6.216 -3.308 -2.547 1.00 0.00 H new ATOM 0 HG23 VAL B 39 4.983 -3.088 -3.812 1.00 0.00 H new ATOM 595 N CYS B 40 3.292 -7.164 -3.302 1.00 0.00 N ATOM 596 CA CYS B 40 2.530 -8.417 -3.056 1.00 0.00 C ATOM 597 C CYS B 40 2.972 -9.518 -4.027 1.00 0.00 C ATOM 598 O CYS B 40 2.923 -10.689 -3.712 1.00 0.00 O ATOM 599 CB CYS B 40 1.034 -8.113 -3.231 1.00 0.00 C ATOM 600 SG CYS B 40 0.033 -9.214 -2.199 1.00 0.00 S ATOM 0 H CYS B 40 2.746 -6.400 -3.700 1.00 0.00 H new ATOM 0 HA CYS B 40 2.722 -8.774 -2.044 1.00 0.00 H new ATOM 0 HB2 CYS B 40 0.835 -7.075 -2.964 1.00 0.00 H new ATOM 0 HB3 CYS B 40 0.753 -8.232 -4.277 1.00 0.00 H new ATOM 605 N GLY B 41 3.406 -9.167 -5.201 1.00 0.00 N ATOM 606 CA GLY B 41 3.842 -10.220 -6.160 1.00 0.00 C ATOM 607 C GLY B 41 2.741 -11.278 -6.293 1.00 0.00 C ATOM 608 O GLY B 41 1.606 -10.971 -6.599 1.00 0.00 O ATOM 0 H GLY B 41 3.478 -8.207 -5.538 1.00 0.00 H new ATOM 0 HA2 GLY B 41 4.054 -9.776 -7.133 1.00 0.00 H new ATOM 0 HA3 GLY B 41 4.766 -10.683 -5.813 1.00 0.00 H new ATOM 612 N GLU B 42 3.072 -12.523 -6.075 1.00 0.00 N ATOM 613 CA GLU B 42 2.050 -13.608 -6.197 1.00 0.00 C ATOM 614 C GLU B 42 1.242 -13.745 -4.901 1.00 0.00 C ATOM 615 O GLU B 42 0.293 -14.500 -4.835 1.00 0.00 O ATOM 616 CB GLU B 42 2.748 -14.939 -6.500 1.00 0.00 C ATOM 617 CG GLU B 42 3.934 -15.145 -5.544 1.00 0.00 C ATOM 618 CD GLU B 42 5.168 -14.406 -6.072 1.00 0.00 C ATOM 619 OE1 GLU B 42 5.670 -13.550 -5.362 1.00 0.00 O ATOM 620 OE2 GLU B 42 5.588 -14.709 -7.177 1.00 0.00 O ATOM 0 H GLU B 42 4.007 -12.838 -5.817 1.00 0.00 H new ATOM 0 HA GLU B 42 1.369 -13.350 -7.008 1.00 0.00 H new ATOM 0 HB2 GLU B 42 2.040 -15.761 -6.396 1.00 0.00 H new ATOM 0 HB3 GLU B 42 3.098 -14.948 -7.532 1.00 0.00 H new ATOM 0 HG2 GLU B 42 3.678 -14.778 -4.550 1.00 0.00 H new ATOM 0 HG3 GLU B 42 4.152 -16.208 -5.445 1.00 0.00 H new ATOM 627 N ARG B 43 1.605 -13.036 -3.867 1.00 0.00 N ATOM 628 CA ARG B 43 0.842 -13.157 -2.587 1.00 0.00 C ATOM 629 C ARG B 43 -0.609 -12.722 -2.807 1.00 0.00 C ATOM 630 O ARG B 43 -1.514 -13.180 -2.139 1.00 0.00 O ATOM 631 CB ARG B 43 1.474 -12.271 -1.511 1.00 0.00 C ATOM 632 CG ARG B 43 2.833 -12.829 -1.092 1.00 0.00 C ATOM 633 CD ARG B 43 3.466 -11.897 -0.050 1.00 0.00 C ATOM 634 NE ARG B 43 4.937 -12.129 -0.013 1.00 0.00 N ATOM 635 CZ ARG B 43 5.711 -11.310 0.645 1.00 0.00 C ATOM 636 NH1 ARG B 43 6.999 -11.514 0.679 1.00 0.00 N ATOM 637 NH2 ARG B 43 5.196 -10.286 1.270 1.00 0.00 N ATOM 0 H ARG B 43 2.389 -12.384 -3.850 1.00 0.00 H new ATOM 0 HA ARG B 43 0.869 -14.196 -2.260 1.00 0.00 H new ATOM 0 HB2 ARG B 43 1.592 -11.256 -1.890 1.00 0.00 H new ATOM 0 HB3 ARG B 43 0.815 -12.213 -0.645 1.00 0.00 H new ATOM 0 HG2 ARG B 43 2.715 -13.830 -0.677 1.00 0.00 H new ATOM 0 HG3 ARG B 43 3.485 -12.918 -1.961 1.00 0.00 H new ATOM 0 HD2 ARG B 43 3.256 -10.857 -0.300 1.00 0.00 H new ATOM 0 HD3 ARG B 43 3.032 -12.083 0.932 1.00 0.00 H new ATOM 0 HE ARG B 43 5.339 -12.928 -0.502 1.00 0.00 H new ATOM 0 HH11 ARG B 43 7.402 -12.314 0.191 1.00 0.00 H new ATOM 0 HH12 ARG B 43 7.603 -10.873 1.194 1.00 0.00 H new ATOM 0 HH21 ARG B 43 4.189 -10.126 1.244 1.00 0.00 H new ATOM 0 HH22 ARG B 43 5.801 -9.646 1.784 1.00 0.00 H new ATOM 651 N GLY B 44 -0.834 -11.842 -3.740 1.00 0.00 N ATOM 652 CA GLY B 44 -2.226 -11.370 -4.015 1.00 0.00 C ATOM 653 C GLY B 44 -2.576 -10.209 -3.078 1.00 0.00 C ATOM 654 O GLY B 44 -2.426 -10.305 -1.874 1.00 0.00 O ATOM 0 H GLY B 44 -0.113 -11.425 -4.329 1.00 0.00 H new ATOM 0 HA2 GLY B 44 -2.313 -11.050 -5.053 1.00 0.00 H new ATOM 0 HA3 GLY B 44 -2.932 -12.189 -3.874 1.00 0.00 H new ATOM 658 N TYR B 45 -3.041 -9.109 -3.625 1.00 0.00 N ATOM 659 CA TYR B 45 -3.408 -7.923 -2.788 1.00 0.00 C ATOM 660 C TYR B 45 -4.853 -7.537 -3.082 1.00 0.00 C ATOM 661 O TYR B 45 -5.500 -8.120 -3.930 1.00 0.00 O ATOM 662 CB TYR B 45 -2.499 -6.741 -3.143 1.00 0.00 C ATOM 663 CG TYR B 45 -2.610 -6.459 -4.619 1.00 0.00 C ATOM 664 CD1 TYR B 45 -3.346 -5.362 -5.079 1.00 0.00 C ATOM 665 CD2 TYR B 45 -1.969 -7.300 -5.525 1.00 0.00 C ATOM 666 CE1 TYR B 45 -3.439 -5.111 -6.451 1.00 0.00 C ATOM 667 CE2 TYR B 45 -2.060 -7.053 -6.900 1.00 0.00 C ATOM 668 CZ TYR B 45 -2.796 -5.957 -7.363 1.00 0.00 C ATOM 669 OH TYR B 45 -2.890 -5.713 -8.718 1.00 0.00 O ATOM 0 H TYR B 45 -3.183 -8.983 -4.627 1.00 0.00 H new ATOM 0 HA TYR B 45 -3.290 -8.172 -1.733 1.00 0.00 H new ATOM 0 HB2 TYR B 45 -2.787 -5.860 -2.569 1.00 0.00 H new ATOM 0 HB3 TYR B 45 -1.466 -6.969 -2.880 1.00 0.00 H new ATOM 0 HD1 TYR B 45 -3.842 -4.710 -4.375 1.00 0.00 H new ATOM 0 HD2 TYR B 45 -1.400 -8.145 -5.166 1.00 0.00 H new ATOM 0 HE1 TYR B 45 -4.007 -4.264 -6.808 1.00 0.00 H new ATOM 0 HE2 TYR B 45 -1.563 -7.707 -7.602 1.00 0.00 H new ATOM 0 HH TYR B 45 -3.152 -6.536 -9.181 1.00 0.00 H new ATOM 679 N PHE B 46 -5.359 -6.549 -2.390 1.00 0.00 N ATOM 680 CA PHE B 46 -6.767 -6.096 -2.618 1.00 0.00 C ATOM 681 C PHE B 46 -6.761 -4.612 -2.977 1.00 0.00 C ATOM 682 O PHE B 46 -6.410 -3.770 -2.175 1.00 0.00 O ATOM 683 CB PHE B 46 -7.585 -6.302 -1.345 1.00 0.00 C ATOM 684 CG PHE B 46 -7.267 -7.656 -0.751 1.00 0.00 C ATOM 685 CD1 PHE B 46 -6.581 -7.747 0.468 1.00 0.00 C ATOM 686 CD2 PHE B 46 -7.662 -8.821 -1.419 1.00 0.00 C ATOM 687 CE1 PHE B 46 -6.291 -9.002 1.016 1.00 0.00 C ATOM 688 CE2 PHE B 46 -7.370 -10.076 -0.871 1.00 0.00 C ATOM 689 CZ PHE B 46 -6.686 -10.166 0.346 1.00 0.00 C ATOM 0 H PHE B 46 -4.854 -6.032 -1.671 1.00 0.00 H new ATOM 0 HA PHE B 46 -7.209 -6.674 -3.430 1.00 0.00 H new ATOM 0 HB2 PHE B 46 -7.360 -5.516 -0.625 1.00 0.00 H new ATOM 0 HB3 PHE B 46 -8.649 -6.233 -1.570 1.00 0.00 H new ATOM 0 HD1 PHE B 46 -6.276 -6.849 0.984 1.00 0.00 H new ATOM 0 HD2 PHE B 46 -8.192 -8.752 -2.357 1.00 0.00 H new ATOM 0 HE1 PHE B 46 -5.763 -9.072 1.955 1.00 0.00 H new ATOM 0 HE2 PHE B 46 -7.673 -10.975 -1.388 1.00 0.00 H new ATOM 0 HZ PHE B 46 -6.462 -11.134 0.769 1.00 0.00 H new ATOM 699 N TYR B 47 -7.155 -4.292 -4.179 1.00 0.00 N ATOM 700 CA TYR B 47 -7.191 -2.864 -4.622 1.00 0.00 C ATOM 701 C TYR B 47 -8.559 -2.559 -5.237 1.00 0.00 C ATOM 702 O TYR B 47 -8.882 -3.024 -6.312 1.00 0.00 O ATOM 703 CB TYR B 47 -6.111 -2.619 -5.674 1.00 0.00 C ATOM 704 CG TYR B 47 -6.123 -1.155 -6.031 1.00 0.00 C ATOM 705 CD1 TYR B 47 -5.513 -0.229 -5.181 1.00 0.00 C ATOM 706 CD2 TYR B 47 -6.766 -0.720 -7.195 1.00 0.00 C ATOM 707 CE1 TYR B 47 -5.541 1.129 -5.492 1.00 0.00 C ATOM 708 CE2 TYR B 47 -6.791 0.644 -7.511 1.00 0.00 C ATOM 709 CZ TYR B 47 -6.179 1.569 -6.658 1.00 0.00 C ATOM 710 OH TYR B 47 -6.206 2.915 -6.965 1.00 0.00 O ATOM 0 H TYR B 47 -7.458 -4.965 -4.883 1.00 0.00 H new ATOM 0 HA TYR B 47 -7.015 -2.219 -3.761 1.00 0.00 H new ATOM 0 HB2 TYR B 47 -5.133 -2.908 -5.289 1.00 0.00 H new ATOM 0 HB3 TYR B 47 -6.298 -3.227 -6.559 1.00 0.00 H new ATOM 0 HD1 TYR B 47 -5.019 -0.566 -4.282 1.00 0.00 H new ATOM 0 HD2 TYR B 47 -7.242 -1.435 -7.849 1.00 0.00 H new ATOM 0 HE1 TYR B 47 -5.070 1.843 -4.833 1.00 0.00 H new ATOM 0 HE2 TYR B 47 -7.282 0.982 -8.412 1.00 0.00 H new ATOM 0 HH TYR B 47 -6.687 3.049 -7.808 1.00 0.00 H new ATOM 720 N THR B 48 -9.363 -1.778 -4.572 1.00 0.00 N ATOM 721 CA THR B 48 -10.704 -1.442 -5.127 1.00 0.00 C ATOM 722 C THR B 48 -11.467 -0.572 -4.127 1.00 0.00 C ATOM 723 O THR B 48 -11.546 0.632 -4.273 1.00 0.00 O ATOM 724 CB THR B 48 -11.494 -2.733 -5.402 1.00 0.00 C ATOM 725 OG1 THR B 48 -12.883 -2.464 -5.280 1.00 0.00 O ATOM 726 CG2 THR B 48 -11.098 -3.836 -4.401 1.00 0.00 C ATOM 0 H THR B 48 -9.150 -1.357 -3.668 1.00 0.00 H new ATOM 0 HA THR B 48 -10.580 -0.895 -6.062 1.00 0.00 H new ATOM 0 HB THR B 48 -11.265 -3.078 -6.410 1.00 0.00 H new ATOM 0 HG1 THR B 48 -13.392 -3.283 -5.456 1.00 0.00 H new ATOM 0 HG21 THR B 48 -11.668 -4.741 -4.612 1.00 0.00 H new ATOM 0 HG22 THR B 48 -10.033 -4.048 -4.495 1.00 0.00 H new ATOM 0 HG23 THR B 48 -11.313 -3.501 -3.386 1.00 0.00 H new ATOM 734 N LYS B 49 -12.019 -1.172 -3.106 1.00 0.00 N ATOM 735 CA LYS B 49 -12.771 -0.396 -2.073 1.00 0.00 C ATOM 736 C LYS B 49 -12.323 -0.871 -0.696 1.00 0.00 C ATOM 737 O LYS B 49 -13.130 -1.244 0.132 1.00 0.00 O ATOM 738 CB LYS B 49 -14.275 -0.642 -2.236 1.00 0.00 C ATOM 739 CG LYS B 49 -14.806 0.104 -3.476 1.00 0.00 C ATOM 740 CD LYS B 49 -15.156 1.554 -3.116 1.00 0.00 C ATOM 741 CE LYS B 49 -15.798 2.237 -4.326 1.00 0.00 C ATOM 742 NZ LYS B 49 -14.811 2.301 -5.441 1.00 0.00 N ATOM 0 H LYS B 49 -11.981 -2.178 -2.941 1.00 0.00 H new ATOM 0 HA LYS B 49 -12.573 0.670 -2.187 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -14.467 -1.710 -2.335 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -14.805 -0.304 -1.345 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -14.056 0.089 -4.267 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -15.688 -0.405 -3.865 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -15.840 1.575 -2.267 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -14.258 2.093 -2.815 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -16.684 1.685 -4.641 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -16.126 3.241 -4.059 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -15.135 2.988 -6.152 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -13.886 2.597 -5.069 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -14.723 1.363 -5.881 1.00 0.00 H new ATOM 756 N PRO B 50 -11.033 -0.862 -0.461 1.00 0.00 N ATOM 757 CA PRO B 50 -10.437 -1.296 0.823 1.00 0.00 C ATOM 758 C PRO B 50 -11.366 -1.037 2.020 1.00 0.00 C ATOM 759 O PRO B 50 -11.899 -1.954 2.614 1.00 0.00 O ATOM 760 CB PRO B 50 -9.151 -0.450 0.917 1.00 0.00 C ATOM 761 CG PRO B 50 -8.858 0.057 -0.479 1.00 0.00 C ATOM 762 CD PRO B 50 -9.983 -0.435 -1.397 1.00 0.00 C ATOM 0 HA PRO B 50 -10.253 -2.370 0.852 1.00 0.00 H new ATOM 0 HB2 PRO B 50 -9.285 0.381 1.610 1.00 0.00 H new ATOM 0 HB3 PRO B 50 -8.321 -1.048 1.293 1.00 0.00 H new ATOM 0 HG2 PRO B 50 -8.805 1.146 -0.488 1.00 0.00 H new ATOM 0 HG3 PRO B 50 -7.892 -0.312 -0.825 1.00 0.00 H new ATOM 0 HD2 PRO B 50 -10.334 0.356 -2.060 1.00 0.00 H new ATOM 0 HD3 PRO B 50 -9.652 -1.258 -2.031 1.00 0.00 H new ATOM 770 N THR B 51 -11.563 0.203 2.374 1.00 0.00 N ATOM 771 CA THR B 51 -12.453 0.520 3.526 1.00 0.00 C ATOM 772 C THR B 51 -13.913 0.464 3.072 1.00 0.00 C ATOM 773 O THR B 51 -14.535 -0.567 3.267 1.00 0.00 O ATOM 774 CB THR B 51 -12.132 1.923 4.045 1.00 0.00 C ATOM 775 OG1 THR B 51 -12.560 2.887 3.093 1.00 0.00 O ATOM 776 CG2 THR B 51 -10.624 2.055 4.266 1.00 0.00 C ATOM 777 OXT THR B 51 -14.384 1.454 2.538 1.00 0.00 O ATOM 0 H THR B 51 -11.145 1.012 1.914 1.00 0.00 H new ATOM 0 HA THR B 51 -12.293 -0.207 4.322 1.00 0.00 H new ATOM 0 HB THR B 51 -12.650 2.089 4.989 1.00 0.00 H new ATOM 0 HG1 THR B 51 -13.516 2.769 2.915 1.00 0.00 H new ATOM 0 HG21 THR B 51 -10.397 3.055 4.636 1.00 0.00 H new ATOM 0 HG22 THR B 51 -10.297 1.315 4.997 1.00 0.00 H new ATOM 0 HG23 THR B 51 -10.102 1.889 3.323 1.00 0.00 H new TER 785 THR B 51