USER MOD reduce.3.24.130724 H: found=0, std=0, add=387, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 391 hydrogens (7 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 1 GLY N :NH3+ -171:sc= -0.259 (180deg=-0.653) USER MOD Set 1.2: B 26 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 12 SER OG : rot 180:sc= 0 USER MOD Set 2.2: B 3 ASN : amide:sc= -0.145 K(o=-0.15,f=-0.98) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 THR OG1 : rot -39:sc= 0.0279 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.0247 X(o=-0.025,f=-0.42) USER MOD Single : B 1 PHE N :NH3+ 150:sc= 0.101 (180deg=0) USER MOD Single : B 4 GLN : amide:sc= 0.955 K(o=0.95,f=-5.5!) USER MOD Single : B 5 HIS : no HE2:sc= 0.351 K(o=0.35,f=-2.2!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HD1:sc= -0.181 X(o=-0.18,f=-0.16) USER MOD Single : B 16 TYR OH : rot 165:sc= -0.201 USER MOD Single : B 27 THR OG1 : rot 180:sc= 0 USER MOD Single : B 28 LYS NZ :NH3+ 160:sc= 0.647 (180deg=0.466) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0.0116 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.332 -1.336 -2.553 1.00 25.00 N ATOM 2 CA GLY A 1 3.471 -0.202 -2.119 1.00 25.00 C ATOM 3 C GLY A 1 2.285 -0.001 -3.019 1.00 25.00 C ATOM 4 O GLY A 1 1.258 0.587 -2.722 1.00 25.00 O ATOM 0 H1 GLY A 1 5.045 -1.530 -1.822 1.00 25.00 H new ATOM 0 H2 GLY A 1 3.745 -2.182 -2.697 1.00 25.00 H new ATOM 0 H3 GLY A 1 4.808 -1.089 -3.444 1.00 25.00 H new ATOM 0 HA2 GLY A 1 3.124 -0.382 -1.102 1.00 25.00 H new ATOM 0 HA3 GLY A 1 4.064 0.712 -2.096 1.00 25.00 H new ATOM 9 N ILE A 2 2.449 -0.664 -4.186 1.00 25.00 N ATOM 10 CA ILE A 2 1.580 -0.658 -5.361 1.00 25.00 C ATOM 11 C ILE A 2 0.205 -1.137 -4.995 1.00 25.00 C ATOM 12 O ILE A 2 -0.810 -0.598 -5.384 1.00 25.00 O ATOM 13 CB ILE A 2 2.158 -1.551 -6.545 1.00 25.00 C ATOM 14 CG1 ILE A 2 3.606 -1.215 -6.811 1.00 25.00 C ATOM 15 CG2 ILE A 2 1.238 -1.392 -7.814 1.00 25.00 C ATOM 16 CD1 ILE A 2 4.295 -2.048 -7.893 1.00 25.00 C ATOM 0 H ILE A 2 3.262 -1.263 -4.331 1.00 25.00 H new ATOM 0 HA ILE A 2 1.531 0.372 -5.715 1.00 25.00 H new ATOM 0 HB ILE A 2 2.144 -2.604 -6.262 1.00 25.00 H new ATOM 0 HG12 ILE A 2 3.670 -0.164 -7.093 1.00 25.00 H new ATOM 0 HG13 ILE A 2 4.163 -1.330 -5.881 1.00 25.00 H new ATOM 0 HG21 ILE A 2 1.631 -2.002 -8.627 1.00 25.00 H new ATOM 0 HG22 ILE A 2 0.226 -1.717 -7.573 1.00 25.00 H new ATOM 0 HG23 ILE A 2 1.220 -0.346 -8.121 1.00 25.00 H new ATOM 0 HD11 ILE A 2 5.329 -1.722 -8.000 1.00 25.00 H new ATOM 0 HD12 ILE A 2 4.274 -3.101 -7.610 1.00 25.00 H new ATOM 0 HD13 ILE A 2 3.773 -1.916 -8.841 1.00 25.00 H new ATOM 28 N VAL A 3 0.145 -2.101 -4.080 1.00 25.00 N ATOM 29 CA VAL A 3 -1.134 -2.669 -3.689 1.00 25.00 C ATOM 30 C VAL A 3 -1.988 -1.593 -2.991 1.00 25.00 C ATOM 31 O VAL A 3 -3.169 -1.413 -3.302 1.00 25.00 O ATOM 32 CB VAL A 3 -0.947 -3.940 -2.786 1.00 25.00 C ATOM 33 CG1 VAL A 3 0.040 -3.749 -1.636 1.00 25.00 C ATOM 34 CG2 VAL A 3 -2.331 -4.358 -2.257 1.00 25.00 C ATOM 0 H VAL A 3 0.955 -2.498 -3.604 1.00 25.00 H new ATOM 0 HA VAL A 3 -1.659 -2.999 -4.585 1.00 25.00 H new ATOM 0 HB VAL A 3 -0.507 -4.724 -3.403 1.00 25.00 H new ATOM 0 HG11 VAL A 3 0.112 -4.672 -1.061 1.00 25.00 H new ATOM 0 HG12 VAL A 3 1.021 -3.494 -2.037 1.00 25.00 H new ATOM 0 HG13 VAL A 3 -0.308 -2.944 -0.988 1.00 25.00 H new ATOM 0 HG21 VAL A 3 -2.228 -5.241 -1.626 1.00 25.00 H new ATOM 0 HG22 VAL A 3 -2.759 -3.543 -1.674 1.00 25.00 H new ATOM 0 HG23 VAL A 3 -2.987 -4.587 -3.096 1.00 25.00 H new ATOM 44 N GLU A 4 -1.389 -0.843 -2.080 1.00 25.00 N ATOM 45 CA GLU A 4 -2.137 0.211 -1.357 1.00 25.00 C ATOM 46 C GLU A 4 -2.450 1.389 -2.267 1.00 25.00 C ATOM 47 O GLU A 4 -3.557 1.919 -2.254 1.00 25.00 O ATOM 48 CB GLU A 4 -1.303 0.718 -0.185 1.00 25.00 C ATOM 49 CG GLU A 4 -1.540 -0.123 1.116 1.00 25.00 C ATOM 50 CD GLU A 4 -2.968 -0.065 1.595 1.00 25.00 C ATOM 51 OE1 GLU A 4 -3.689 0.869 1.444 1.00 25.00 O ATOM 52 OE2 GLU A 4 -3.332 -1.178 2.187 1.00 25.00 O ATOM 0 H GLU A 4 -0.407 -0.929 -1.817 1.00 25.00 H new ATOM 0 HA GLU A 4 -3.072 -0.226 -1.006 1.00 25.00 H new ATOM 0 HB2 GLU A 4 -0.246 0.683 -0.451 1.00 25.00 H new ATOM 0 HB3 GLU A 4 -1.549 1.762 0.009 1.00 25.00 H new ATOM 0 HG2 GLU A 4 -1.266 -1.161 0.927 1.00 25.00 H new ATOM 0 HG3 GLU A 4 -0.882 0.242 1.904 1.00 25.00 H new ATOM 60 N GLN A 5 -1.493 1.787 -3.087 1.00 25.00 N ATOM 61 CA GLN A 5 -1.682 2.866 -4.045 1.00 25.00 C ATOM 62 C GLN A 5 -2.792 2.600 -5.135 1.00 25.00 C ATOM 63 O GLN A 5 -3.575 3.541 -5.420 1.00 25.00 O ATOM 64 CB GLN A 5 -0.364 3.102 -4.789 1.00 25.00 C ATOM 65 CG GLN A 5 0.731 3.786 -3.911 1.00 25.00 C ATOM 66 CD GLN A 5 0.440 5.226 -3.597 1.00 25.00 C ATOM 67 OE1 GLN A 5 0.506 6.065 -4.468 1.00 25.00 O ATOM 68 NE2 GLN A 5 0.080 5.528 -2.377 1.00 25.00 N ATOM 0 H GLN A 5 -0.562 1.372 -3.109 1.00 25.00 H new ATOM 0 HA GLN A 5 -2.008 3.724 -3.457 1.00 25.00 H new ATOM 0 HB2 GLN A 5 0.016 2.147 -5.151 1.00 25.00 H new ATOM 0 HB3 GLN A 5 -0.556 3.722 -5.665 1.00 25.00 H new ATOM 0 HG2 GLN A 5 0.833 3.233 -2.977 1.00 25.00 H new ATOM 0 HG3 GLN A 5 1.690 3.722 -4.426 1.00 25.00 H new ATOM 0 HE21 GLN A 5 0.033 4.800 -1.664 1.00 25.00 H new ATOM 0 HE22 GLN A 5 -0.154 6.492 -2.138 1.00 25.00 H new ATOM 77 N CYS A 6 -2.845 1.390 -5.676 1.00 25.00 N ATOM 78 CA CYS A 6 -3.709 1.133 -6.842 1.00 25.00 C ATOM 79 C CYS A 6 -4.829 0.109 -6.648 1.00 25.00 C ATOM 80 O CYS A 6 -5.685 -0.041 -7.521 1.00 25.00 O ATOM 81 CB CYS A 6 -2.809 0.641 -7.992 1.00 25.00 C ATOM 82 SG CYS A 6 -1.597 1.856 -8.506 1.00 25.00 S ATOM 0 H CYS A 6 -2.318 0.583 -5.343 1.00 25.00 H new ATOM 0 HA CYS A 6 -4.217 2.077 -7.041 1.00 25.00 H new ATOM 0 HB2 CYS A 6 -2.294 -0.267 -7.679 1.00 25.00 H new ATOM 0 HB3 CYS A 6 -3.433 0.376 -8.845 1.00 25.00 H new ATOM 87 N CYS A 7 -4.910 -0.605 -5.531 1.00 25.00 N ATOM 88 CA CYS A 7 -6.006 -1.610 -5.410 1.00 25.00 C ATOM 89 C CYS A 7 -7.291 -0.899 -5.084 1.00 25.00 C ATOM 90 O CYS A 7 -8.387 -1.287 -5.488 1.00 25.00 O ATOM 91 CB CYS A 7 -5.687 -2.677 -4.384 1.00 25.00 C ATOM 92 SG CYS A 7 -6.978 -3.953 -4.349 1.00 25.00 S ATOM 0 H CYS A 7 -4.282 -0.531 -4.731 1.00 25.00 H new ATOM 0 HA CYS A 7 -6.113 -2.128 -6.363 1.00 25.00 H new ATOM 0 HB2 CYS A 7 -4.725 -3.134 -4.617 1.00 25.00 H new ATOM 0 HB3 CYS A 7 -5.594 -2.222 -3.398 1.00 25.00 H new ATOM 97 N THR A 8 -7.152 0.204 -4.409 1.00 25.00 N ATOM 98 CA THR A 8 -8.307 1.004 -3.996 1.00 25.00 C ATOM 99 C THR A 8 -8.521 2.305 -4.851 1.00 25.00 C ATOM 100 O THR A 8 -9.543 2.993 -4.716 1.00 25.00 O ATOM 101 CB THR A 8 -8.134 1.335 -2.492 1.00 25.00 C ATOM 102 OG1 THR A 8 -9.369 1.734 -1.916 1.00 25.00 O ATOM 103 CG2 THR A 8 -7.105 2.443 -2.241 1.00 25.00 C ATOM 0 H THR A 8 -6.251 0.587 -4.123 1.00 25.00 H new ATOM 0 HA THR A 8 -9.210 0.419 -4.167 1.00 25.00 H new ATOM 0 HB THR A 8 -7.774 0.418 -2.026 1.00 25.00 H new ATOM 0 HG1 THR A 8 -9.861 2.295 -2.552 1.00 25.00 H new ATOM 0 HG21 THR A 8 -7.027 2.631 -1.170 1.00 25.00 H new ATOM 0 HG22 THR A 8 -6.134 2.132 -2.627 1.00 25.00 H new ATOM 0 HG23 THR A 8 -7.421 3.355 -2.748 1.00 25.00 H new ATOM 111 N SER A 9 -7.608 2.593 -5.787 1.00 25.00 N ATOM 112 CA SER A 9 -7.704 3.808 -6.630 1.00 25.00 C ATOM 113 C SER A 9 -7.422 3.468 -8.093 1.00 25.00 C ATOM 114 O SER A 9 -6.846 2.438 -8.373 1.00 25.00 O ATOM 115 CB SER A 9 -6.681 4.841 -6.183 1.00 25.00 C ATOM 116 OG SER A 9 -7.035 5.337 -4.895 1.00 25.00 O ATOM 0 H SER A 9 -6.795 2.009 -5.985 1.00 25.00 H new ATOM 0 HA SER A 9 -8.714 4.206 -6.526 1.00 25.00 H new ATOM 0 HB2 SER A 9 -5.687 4.394 -6.151 1.00 25.00 H new ATOM 0 HB3 SER A 9 -6.639 5.660 -6.901 1.00 25.00 H new ATOM 0 HG SER A 9 -6.374 6.001 -4.607 1.00 25.00 H new ATOM 122 N ILE A 10 -7.809 4.336 -9.014 1.00 25.00 N ATOM 123 CA ILE A 10 -7.441 4.184 -10.442 1.00 25.00 C ATOM 124 C ILE A 10 -5.980 4.513 -10.644 1.00 25.00 C ATOM 125 O ILE A 10 -5.566 5.607 -10.323 1.00 25.00 O ATOM 126 CB ILE A 10 -8.269 5.151 -11.331 1.00 25.00 C ATOM 127 CG1 ILE A 10 -9.770 4.904 -11.104 1.00 25.00 C ATOM 128 CG2 ILE A 10 -7.872 5.022 -12.830 1.00 25.00 C ATOM 129 CD1 ILE A 10 -10.285 3.541 -11.530 1.00 25.00 C ATOM 0 H ILE A 10 -8.378 5.158 -8.814 1.00 25.00 H new ATOM 0 HA ILE A 10 -7.644 3.151 -10.724 1.00 25.00 H new ATOM 0 HB ILE A 10 -8.047 6.178 -11.043 1.00 25.00 H new ATOM 0 HG12 ILE A 10 -9.985 5.038 -10.044 1.00 25.00 H new ATOM 0 HG13 ILE A 10 -10.331 5.668 -11.642 1.00 25.00 H new ATOM 0 HG21 ILE A 10 -8.470 5.712 -13.425 1.00 25.00 H new ATOM 0 HG22 ILE A 10 -6.815 5.262 -12.948 1.00 25.00 H new ATOM 0 HG23 ILE A 10 -8.052 4.001 -13.168 1.00 25.00 H new ATOM 0 HD11 ILE A 10 -11.354 3.475 -11.325 1.00 25.00 H new ATOM 0 HD12 ILE A 10 -10.111 3.404 -12.597 1.00 25.00 H new ATOM 0 HD13 ILE A 10 -9.761 2.764 -10.974 1.00 25.00 H new ATOM 141 N CYS A 11 -5.244 3.617 -11.285 1.00 25.00 N ATOM 142 CA CYS A 11 -3.864 3.914 -11.679 1.00 25.00 C ATOM 143 C CYS A 11 -3.754 3.606 -13.170 1.00 25.00 C ATOM 144 O CYS A 11 -4.417 2.701 -13.683 1.00 25.00 O ATOM 145 CB CYS A 11 -2.891 2.993 -10.909 1.00 25.00 C ATOM 146 SG CYS A 11 -2.729 3.406 -9.164 1.00 25.00 S ATOM 0 H CYS A 11 -5.570 2.686 -11.544 1.00 25.00 H new ATOM 0 HA CYS A 11 -3.615 4.953 -11.461 1.00 25.00 H new ATOM 0 HB2 CYS A 11 -3.233 1.962 -10.999 1.00 25.00 H new ATOM 0 HB3 CYS A 11 -1.908 3.045 -11.378 1.00 25.00 H new ATOM 151 N SER A 12 -2.845 4.307 -13.834 1.00 25.00 N ATOM 152 CA SER A 12 -2.622 4.114 -15.254 1.00 25.00 C ATOM 153 C SER A 12 -1.243 3.582 -15.571 1.00 25.00 C ATOM 154 O SER A 12 -0.346 3.603 -14.707 1.00 25.00 O ATOM 155 CB SER A 12 -2.763 5.496 -15.932 1.00 25.00 C ATOM 156 OG SER A 12 -4.037 6.088 -15.650 1.00 25.00 O ATOM 0 H SER A 12 -2.250 5.016 -13.407 1.00 25.00 H new ATOM 0 HA SER A 12 -3.346 3.382 -15.613 1.00 25.00 H new ATOM 0 HB2 SER A 12 -1.968 6.156 -15.585 1.00 25.00 H new ATOM 0 HB3 SER A 12 -2.640 5.389 -17.010 1.00 25.00 H new ATOM 0 HG SER A 12 -4.097 6.961 -16.090 1.00 25.00 H new ATOM 162 N LEU A 13 -0.998 3.191 -16.845 1.00 25.00 N ATOM 163 CA LEU A 13 0.326 2.686 -17.327 1.00 25.00 C ATOM 164 C LEU A 13 1.434 3.671 -17.023 1.00 25.00 C ATOM 165 O LEU A 13 2.636 3.280 -16.670 1.00 25.00 O ATOM 166 CB LEU A 13 0.270 2.345 -18.830 1.00 25.00 C ATOM 167 CG LEU A 13 -0.844 1.333 -19.169 1.00 25.00 C ATOM 168 CD1 LEU A 13 -1.040 1.246 -20.677 1.00 25.00 C ATOM 169 CD2 LEU A 13 -0.533 -0.035 -18.563 1.00 25.00 C ATOM 0 H LEU A 13 -1.710 3.214 -17.575 1.00 25.00 H new ATOM 0 HA LEU A 13 0.552 1.767 -16.786 1.00 25.00 H new ATOM 0 HB2 LEU A 13 0.110 3.260 -19.400 1.00 25.00 H new ATOM 0 HB3 LEU A 13 1.232 1.939 -19.142 1.00 25.00 H new ATOM 0 HG LEU A 13 -1.779 1.681 -18.730 1.00 25.00 H new ATOM 0 HD11 LEU A 13 -1.829 0.528 -20.901 1.00 25.00 H new ATOM 0 HD12 LEU A 13 -1.320 2.225 -21.065 1.00 25.00 H new ATOM 0 HD13 LEU A 13 -0.111 0.922 -21.147 1.00 25.00 H new ATOM 0 HD21 LEU A 13 -1.331 -0.734 -18.814 1.00 25.00 H new ATOM 0 HD22 LEU A 13 0.412 -0.404 -18.963 1.00 25.00 H new ATOM 0 HD23 LEU A 13 -0.457 0.056 -17.479 1.00 25.00 H new ATOM 181 N TYR A 14 1.217 4.970 -17.071 1.00 25.00 N ATOM 182 CA TYR A 14 2.202 5.977 -16.739 1.00 25.00 C ATOM 183 C TYR A 14 2.701 5.911 -15.309 1.00 25.00 C ATOM 184 O TYR A 14 3.861 6.103 -14.991 1.00 25.00 O ATOM 185 CB TYR A 14 1.742 7.378 -17.118 1.00 25.00 C ATOM 186 CG TYR A 14 2.915 8.318 -17.154 1.00 25.00 C ATOM 187 CD1 TYR A 14 3.705 8.428 -18.264 1.00 25.00 C ATOM 188 CD2 TYR A 14 3.212 9.043 -16.032 1.00 25.00 C ATOM 189 CE1 TYR A 14 4.775 9.250 -18.330 1.00 25.00 C ATOM 190 CE2 TYR A 14 4.463 9.939 -15.993 1.00 25.00 C ATOM 191 CZ TYR A 14 5.200 9.969 -17.312 1.00 25.00 C ATOM 192 OH TYR A 14 6.297 10.727 -17.452 1.00 25.00 O ATOM 0 H TYR A 14 0.320 5.366 -17.352 1.00 25.00 H new ATOM 0 HA TYR A 14 3.068 5.737 -17.355 1.00 25.00 H new ATOM 0 HB2 TYR A 14 1.253 7.357 -18.092 1.00 25.00 H new ATOM 0 HB3 TYR A 14 1.004 7.733 -16.399 1.00 25.00 H new ATOM 0 HD1 TYR A 14 3.462 7.829 -19.129 1.00 25.00 H new ATOM 0 HD2 TYR A 14 2.565 8.986 -15.169 1.00 25.00 H new ATOM 0 HE1 TYR A 14 5.309 9.321 -19.266 1.00 25.00 H new ATOM 0 HE2 TYR A 14 4.780 10.487 -15.118 1.00 25.00 H new ATOM 0 HH TYR A 14 6.479 11.197 -16.612 1.00 25.00 H new ATOM 202 N GLN A 15 1.761 5.591 -14.390 1.00 25.00 N ATOM 203 CA GLN A 15 2.126 5.383 -12.988 1.00 25.00 C ATOM 204 C GLN A 15 2.820 4.014 -12.817 1.00 25.00 C ATOM 205 O GLN A 15 3.778 3.915 -12.091 1.00 25.00 O ATOM 206 CB GLN A 15 0.895 5.482 -12.055 1.00 25.00 C ATOM 207 CG GLN A 15 0.588 6.852 -11.573 1.00 25.00 C ATOM 208 CD GLN A 15 -0.143 6.800 -10.252 1.00 25.00 C ATOM 209 OE1 GLN A 15 0.391 6.342 -9.251 1.00 25.00 O ATOM 210 NE2 GLN A 15 -1.408 7.142 -10.271 1.00 25.00 N ATOM 0 H GLN A 15 0.769 5.475 -14.596 1.00 25.00 H new ATOM 0 HA GLN A 15 2.819 6.175 -12.704 1.00 25.00 H new ATOM 0 HB2 GLN A 15 0.024 5.094 -12.583 1.00 25.00 H new ATOM 0 HB3 GLN A 15 1.058 4.836 -11.192 1.00 25.00 H new ATOM 0 HG2 GLN A 15 1.512 7.420 -11.461 1.00 25.00 H new ATOM 0 HG3 GLN A 15 -0.020 7.375 -12.311 1.00 25.00 H new ATOM 0 HE21 GLN A 15 -1.821 7.521 -11.123 1.00 25.00 H new ATOM 0 HE22 GLN A 15 -1.979 7.029 -9.434 1.00 25.00 H new ATOM 219 N LEU A 16 2.371 2.988 -13.539 1.00 25.00 N ATOM 220 CA LEU A 16 3.051 1.699 -13.391 1.00 25.00 C ATOM 221 C LEU A 16 4.494 1.728 -13.869 1.00 25.00 C ATOM 222 O LEU A 16 5.341 0.953 -13.391 1.00 25.00 O ATOM 223 CB LEU A 16 2.327 0.587 -14.139 1.00 25.00 C ATOM 224 CG LEU A 16 1.012 0.164 -13.521 1.00 25.00 C ATOM 225 CD1 LEU A 16 0.292 -0.681 -14.615 1.00 25.00 C ATOM 226 CD2 LEU A 16 1.288 -0.729 -12.277 1.00 25.00 C ATOM 0 H LEU A 16 1.589 3.013 -14.194 1.00 25.00 H new ATOM 0 HA LEU A 16 3.040 1.499 -12.320 1.00 25.00 H new ATOM 0 HB2 LEU A 16 2.144 0.915 -15.162 1.00 25.00 H new ATOM 0 HB3 LEU A 16 2.983 -0.282 -14.195 1.00 25.00 H new ATOM 0 HG LEU A 16 0.415 1.019 -13.203 1.00 25.00 H new ATOM 0 HD11 LEU A 16 -0.671 -1.022 -14.236 1.00 25.00 H new ATOM 0 HD12 LEU A 16 0.136 -0.069 -15.503 1.00 25.00 H new ATOM 0 HD13 LEU A 16 0.907 -1.543 -14.872 1.00 25.00 H new ATOM 0 HD21 LEU A 16 0.341 -1.034 -11.831 1.00 25.00 H new ATOM 0 HD22 LEU A 16 1.848 -1.613 -12.581 1.00 25.00 H new ATOM 0 HD23 LEU A 16 1.868 -0.166 -11.546 1.00 25.00 H new ATOM 238 N GLU A 17 4.822 2.656 -14.788 1.00 25.00 N ATOM 239 CA GLU A 17 6.193 2.812 -15.243 1.00 25.00 C ATOM 240 C GLU A 17 7.143 3.094 -14.069 1.00 25.00 C ATOM 241 O GLU A 17 8.331 2.752 -14.145 1.00 25.00 O ATOM 242 CB GLU A 17 6.329 3.929 -16.230 1.00 25.00 C ATOM 243 CG GLU A 17 5.840 3.645 -17.631 1.00 25.00 C ATOM 244 CD GLU A 17 5.793 4.900 -18.478 1.00 25.00 C ATOM 245 OE1 GLU A 17 5.267 5.938 -18.105 1.00 25.00 O ATOM 246 OE2 GLU A 17 6.392 4.789 -19.596 1.00 25.00 O ATOM 0 H GLU A 17 4.156 3.297 -15.219 1.00 25.00 H new ATOM 0 HA GLU A 17 6.461 1.870 -15.722 1.00 25.00 H new ATOM 0 HB2 GLU A 17 5.786 4.793 -15.846 1.00 25.00 H new ATOM 0 HB3 GLU A 17 7.380 4.212 -16.285 1.00 25.00 H new ATOM 0 HG2 GLU A 17 6.495 2.913 -18.103 1.00 25.00 H new ATOM 0 HG3 GLU A 17 4.846 3.200 -17.585 1.00 25.00 H new ATOM 254 N ASN A 18 6.664 3.715 -12.997 1.00 25.00 N ATOM 255 CA ASN A 18 7.566 4.112 -11.889 1.00 25.00 C ATOM 256 C ASN A 18 8.143 2.901 -11.193 1.00 25.00 C ATOM 257 O ASN A 18 9.051 3.033 -10.409 1.00 25.00 O ATOM 258 CB ASN A 18 6.773 4.963 -10.848 1.00 25.00 C ATOM 259 CG ASN A 18 6.399 6.304 -11.381 1.00 25.00 C ATOM 260 OD1 ASN A 18 7.178 6.980 -12.107 1.00 25.00 O ATOM 261 ND2 ASN A 18 5.217 6.760 -10.995 1.00 25.00 N ATOM 0 H ASN A 18 5.682 3.956 -12.859 1.00 25.00 H new ATOM 0 HA ASN A 18 8.384 4.695 -12.312 1.00 25.00 H new ATOM 0 HB2 ASN A 18 5.871 4.426 -10.555 1.00 25.00 H new ATOM 0 HB3 ASN A 18 7.376 5.087 -9.949 1.00 25.00 H new ATOM 0 HD21 ASN A 18 4.909 7.688 -11.285 1.00 25.00 H new ATOM 0 HD22 ASN A 18 4.615 6.183 -10.408 1.00 25.00 H new ATOM 268 N TYR A 19 7.564 1.720 -11.402 1.00 25.00 N ATOM 269 CA TYR A 19 8.009 0.465 -10.749 1.00 25.00 C ATOM 270 C TYR A 19 8.732 -0.414 -11.771 1.00 25.00 C ATOM 271 O TYR A 19 9.126 -1.544 -11.485 1.00 25.00 O ATOM 272 CB TYR A 19 6.779 -0.232 -10.173 1.00 25.00 C ATOM 273 CG TYR A 19 5.920 0.679 -9.349 1.00 25.00 C ATOM 274 CD1 TYR A 19 6.333 1.099 -8.087 1.00 25.00 C ATOM 275 CD2 TYR A 19 4.660 1.159 -9.828 1.00 25.00 C ATOM 276 CE1 TYR A 19 5.533 2.036 -7.343 1.00 25.00 C ATOM 277 CE2 TYR A 19 3.866 2.059 -9.079 1.00 25.00 C ATOM 278 CZ TYR A 19 4.309 2.472 -7.846 1.00 25.00 C ATOM 279 OH TYR A 19 3.523 3.375 -7.147 1.00 25.00 O ATOM 0 H TYR A 19 6.769 1.594 -12.029 1.00 25.00 H new ATOM 0 HA TYR A 19 8.710 0.670 -9.940 1.00 25.00 H new ATOM 0 HB2 TYR A 19 6.185 -0.642 -10.990 1.00 25.00 H new ATOM 0 HB3 TYR A 19 7.100 -1.073 -9.559 1.00 25.00 H new ATOM 0 HD1 TYR A 19 7.253 0.722 -7.667 1.00 25.00 H new ATOM 0 HD2 TYR A 19 4.304 0.824 -10.791 1.00 25.00 H new ATOM 0 HE1 TYR A 19 5.883 2.403 -6.390 1.00 25.00 H new ATOM 0 HE2 TYR A 19 2.925 2.416 -9.471 1.00 25.00 H new ATOM 0 HH TYR A 19 2.707 3.561 -7.657 1.00 25.00 H new ATOM 289 N CYS A 20 8.974 0.171 -12.951 1.00 25.00 N ATOM 290 CA CYS A 20 9.829 -0.417 -13.953 1.00 25.00 C ATOM 291 C CYS A 20 11.060 0.474 -13.881 1.00 25.00 C ATOM 292 O CYS A 20 11.131 1.366 -13.057 1.00 25.00 O ATOM 293 CB CYS A 20 9.192 -0.377 -15.336 1.00 25.00 C ATOM 294 SG CYS A 20 7.863 -1.594 -15.523 1.00 25.00 S ATOM 0 H CYS A 20 8.574 1.068 -13.225 1.00 25.00 H new ATOM 0 HA CYS A 20 10.038 -1.473 -13.781 1.00 25.00 H new ATOM 0 HB2 CYS A 20 8.795 0.621 -15.521 1.00 25.00 H new ATOM 0 HB3 CYS A 20 9.957 -0.560 -16.090 1.00 25.00 H new ATOM 299 N ASN A 21 12.048 0.283 -14.789 1.00 25.00 N ATOM 300 CA ASN A 21 13.233 1.157 -14.882 1.00 25.00 C ATOM 301 C ASN A 21 12.830 2.627 -15.042 1.00 25.00 C ATOM 302 O ASN A 21 12.042 3.110 -15.854 1.00 25.00 O ATOM 303 CB ASN A 21 14.207 0.746 -16.008 1.00 25.00 C ATOM 304 CG ASN A 21 15.384 1.689 -16.083 1.00 25.00 C ATOM 305 OD1 ASN A 21 15.321 2.728 -16.693 1.00 25.00 O ATOM 306 ND2 ASN A 21 16.526 1.311 -15.505 1.00 25.00 N ATOM 307 OXT ASN A 21 13.399 3.411 -14.155 1.00 25.00 O ATOM 0 H ASN A 21 12.042 -0.476 -15.470 1.00 25.00 H new ATOM 0 HA ASN A 21 13.766 1.034 -13.939 1.00 25.00 H new ATOM 0 HB2 ASN A 21 14.562 -0.270 -15.833 1.00 25.00 H new ATOM 0 HB3 ASN A 21 13.681 0.740 -16.963 1.00 25.00 H new ATOM 0 HD21 ASN A 21 17.354 1.902 -15.577 1.00 25.00 H new ATOM 0 HD22 ASN A 21 16.571 0.431 -14.991 1.00 25.00 H new TER 315 ASN A 21 ATOM 316 N PHE B 1 -7.030 -1.056 -23.791 1.00 25.00 N ATOM 317 CA PHE B 1 -6.586 -0.779 -22.402 1.00 25.00 C ATOM 318 C PHE B 1 -7.428 0.319 -21.718 1.00 25.00 C ATOM 319 O PHE B 1 -7.487 1.462 -22.132 1.00 25.00 O ATOM 320 CB PHE B 1 -5.075 -0.395 -22.340 1.00 25.00 C ATOM 321 CG PHE B 1 -4.074 -1.505 -22.606 1.00 25.00 C ATOM 322 CD1 PHE B 1 -3.694 -1.750 -23.937 1.00 25.00 C ATOM 323 CD2 PHE B 1 -3.509 -2.266 -21.559 1.00 25.00 C ATOM 324 CE1 PHE B 1 -2.794 -2.764 -24.234 1.00 25.00 C ATOM 325 CE2 PHE B 1 -2.557 -3.269 -21.876 1.00 25.00 C ATOM 326 CZ PHE B 1 -2.219 -3.511 -23.198 1.00 25.00 C ATOM 0 H1 PHE B 1 -6.217 -1.368 -24.360 1.00 25.00 H new ATOM 0 H2 PHE B 1 -7.753 -1.804 -23.782 1.00 25.00 H new ATOM 0 H3 PHE B 1 -7.432 -0.191 -24.206 1.00 25.00 H new ATOM 0 HA PHE B 1 -6.735 -1.710 -21.855 1.00 25.00 H new ATOM 0 HB2 PHE B 1 -4.897 0.402 -23.062 1.00 25.00 H new ATOM 0 HB3 PHE B 1 -4.870 0.018 -21.352 1.00 25.00 H new ATOM 0 HD1 PHE B 1 -4.105 -1.146 -24.733 1.00 25.00 H new ATOM 0 HD2 PHE B 1 -3.797 -2.087 -20.534 1.00 25.00 H new ATOM 0 HE1 PHE B 1 -2.538 -2.977 -25.261 1.00 25.00 H new ATOM 0 HE2 PHE B 1 -2.096 -3.844 -21.087 1.00 25.00 H new ATOM 0 HZ PHE B 1 -1.503 -4.285 -23.432 1.00 25.00 H new ATOM 337 N VAL B 2 -7.987 -0.063 -20.585 1.00 25.00 N ATOM 338 CA VAL B 2 -8.800 0.823 -19.748 1.00 25.00 C ATOM 339 C VAL B 2 -8.154 0.917 -18.344 1.00 25.00 C ATOM 340 O VAL B 2 -7.899 -0.074 -17.685 1.00 25.00 O ATOM 341 CB VAL B 2 -10.238 0.226 -19.624 1.00 25.00 C ATOM 342 CG1 VAL B 2 -11.177 1.181 -18.819 1.00 25.00 C ATOM 343 CG2 VAL B 2 -10.888 -0.044 -21.011 1.00 25.00 C ATOM 0 H VAL B 2 -7.893 -1.006 -20.209 1.00 25.00 H new ATOM 0 HA VAL B 2 -8.855 1.816 -20.193 1.00 25.00 H new ATOM 0 HB VAL B 2 -10.125 -0.721 -19.097 1.00 25.00 H new ATOM 0 HG11 VAL B 2 -12.171 0.740 -18.749 1.00 25.00 H new ATOM 0 HG12 VAL B 2 -10.774 1.328 -17.817 1.00 25.00 H new ATOM 0 HG13 VAL B 2 -11.242 2.142 -19.329 1.00 25.00 H new ATOM 0 HG21 VAL B 2 -11.886 -0.458 -20.870 1.00 25.00 H new ATOM 0 HG22 VAL B 2 -10.958 0.890 -21.568 1.00 25.00 H new ATOM 0 HG23 VAL B 2 -10.276 -0.753 -21.568 1.00 25.00 H new ATOM 353 N ASN B 3 -7.895 2.126 -17.890 1.00 25.00 N ATOM 354 CA ASN B 3 -7.258 2.311 -16.573 1.00 25.00 C ATOM 355 C ASN B 3 -8.232 2.036 -15.414 1.00 25.00 C ATOM 356 O ASN B 3 -9.360 2.562 -15.410 1.00 25.00 O ATOM 357 CB ASN B 3 -6.749 3.735 -16.467 1.00 25.00 C ATOM 358 CG ASN B 3 -5.640 4.002 -17.460 1.00 25.00 C ATOM 359 OD1 ASN B 3 -4.736 3.228 -17.609 1.00 25.00 O ATOM 360 ND2 ASN B 3 -5.733 5.129 -18.152 1.00 25.00 N ATOM 0 H ASN B 3 -8.105 2.989 -18.391 1.00 25.00 H new ATOM 0 HA ASN B 3 -6.438 1.597 -16.494 1.00 25.00 H new ATOM 0 HB2 ASN B 3 -7.570 4.430 -16.641 1.00 25.00 H new ATOM 0 HB3 ASN B 3 -6.386 3.918 -15.456 1.00 25.00 H new ATOM 0 HD21 ASN B 3 -5.019 5.364 -18.841 1.00 25.00 H new ATOM 0 HD22 ASN B 3 -6.518 5.761 -17.995 1.00 25.00 H new ATOM 367 N GLN B 4 -7.830 1.192 -14.461 1.00 25.00 N ATOM 368 CA GLN B 4 -8.770 0.758 -13.410 1.00 25.00 C ATOM 369 C GLN B 4 -7.949 0.329 -12.203 1.00 25.00 C ATOM 370 O GLN B 4 -6.751 0.527 -12.148 1.00 25.00 O ATOM 371 CB GLN B 4 -9.689 -0.373 -13.978 1.00 25.00 C ATOM 372 CG GLN B 4 -11.228 -0.082 -14.022 1.00 25.00 C ATOM 373 CD GLN B 4 -11.894 -0.192 -12.663 1.00 25.00 C ATOM 374 OE1 GLN B 4 -11.354 -0.756 -11.709 1.00 25.00 O ATOM 375 NE2 GLN B 4 -13.100 0.313 -12.598 1.00 25.00 N ATOM 0 H GLN B 4 -6.890 0.802 -14.389 1.00 25.00 H new ATOM 0 HA GLN B 4 -9.435 1.561 -13.091 1.00 25.00 H new ATOM 0 HB2 GLN B 4 -9.358 -0.602 -14.991 1.00 25.00 H new ATOM 0 HB3 GLN B 4 -9.531 -1.271 -13.380 1.00 25.00 H new ATOM 0 HG2 GLN B 4 -11.391 0.920 -14.420 1.00 25.00 H new ATOM 0 HG3 GLN B 4 -11.704 -0.780 -14.711 1.00 25.00 H new ATOM 0 HE21 GLN B 4 -13.506 0.771 -13.414 1.00 25.00 H new ATOM 0 HE22 GLN B 4 -13.634 0.249 -11.731 1.00 25.00 H new ATOM 384 N HIS B 5 -8.642 -0.225 -11.214 1.00 25.00 N ATOM 385 CA HIS B 5 -7.978 -0.676 -9.980 1.00 25.00 C ATOM 386 C HIS B 5 -7.126 -1.899 -10.353 1.00 25.00 C ATOM 387 O HIS B 5 -7.494 -2.658 -11.198 1.00 25.00 O ATOM 388 CB HIS B 5 -9.031 -1.077 -8.908 1.00 25.00 C ATOM 389 CG HIS B 5 -9.903 0.043 -8.446 1.00 25.00 C ATOM 390 ND1 HIS B 5 -10.167 0.283 -7.095 1.00 25.00 N ATOM 391 CD2 HIS B 5 -10.621 0.981 -9.102 1.00 25.00 C ATOM 392 CE1 HIS B 5 -10.974 1.325 -6.996 1.00 25.00 C ATOM 393 NE2 HIS B 5 -11.273 1.727 -8.203 1.00 25.00 N ATOM 0 H HIS B 5 -9.651 -0.375 -11.234 1.00 25.00 H new ATOM 0 HA HIS B 5 -7.365 0.122 -9.562 1.00 25.00 H new ATOM 0 HB2 HIS B 5 -9.662 -1.867 -9.315 1.00 25.00 H new ATOM 0 HB3 HIS B 5 -8.512 -1.495 -8.046 1.00 25.00 H new ATOM 0 HD1 HIS B 5 -9.797 -0.258 -6.313 1.00 25.00 H new ATOM 0 HD2 HIS B 5 -10.662 1.107 -10.174 1.00 25.00 H new ATOM 0 HE1 HIS B 5 -11.326 1.768 -6.076 1.00 25.00 H new ATOM 402 N LEU B 6 -6.022 -2.096 -9.638 1.00 25.00 N ATOM 403 CA LEU B 6 -5.092 -3.204 -9.898 1.00 25.00 C ATOM 404 C LEU B 6 -4.798 -3.970 -8.602 1.00 25.00 C ATOM 405 O LEU B 6 -4.053 -3.468 -7.734 1.00 25.00 O ATOM 406 CB LEU B 6 -3.789 -2.616 -10.426 1.00 25.00 C ATOM 407 CG LEU B 6 -3.873 -1.859 -11.761 1.00 25.00 C ATOM 408 CD1 LEU B 6 -2.543 -1.207 -11.991 1.00 25.00 C ATOM 409 CD2 LEU B 6 -4.218 -2.821 -12.930 1.00 25.00 C ATOM 0 H LEU B 6 -5.742 -1.496 -8.862 1.00 25.00 H new ATOM 0 HA LEU B 6 -5.535 -3.889 -10.621 1.00 25.00 H new ATOM 0 HB2 LEU B 6 -3.390 -1.937 -9.672 1.00 25.00 H new ATOM 0 HB3 LEU B 6 -3.069 -3.426 -10.537 1.00 25.00 H new ATOM 0 HG LEU B 6 -4.666 -1.113 -11.719 1.00 25.00 H new ATOM 0 HD11 LEU B 6 -2.565 -0.658 -12.933 1.00 25.00 H new ATOM 0 HD12 LEU B 6 -2.330 -0.517 -11.174 1.00 25.00 H new ATOM 0 HD13 LEU B 6 -1.766 -1.970 -12.034 1.00 25.00 H new ATOM 0 HD21 LEU B 6 -4.271 -2.257 -13.862 1.00 25.00 H new ATOM 0 HD22 LEU B 6 -3.446 -3.586 -13.012 1.00 25.00 H new ATOM 0 HD23 LEU B 6 -5.180 -3.296 -12.738 1.00 25.00 H new ATOM 421 N CYS B 7 -5.355 -5.155 -8.447 1.00 25.00 N ATOM 422 CA CYS B 7 -5.096 -5.969 -7.252 1.00 25.00 C ATOM 423 C CYS B 7 -4.659 -7.367 -7.708 1.00 25.00 C ATOM 424 O CYS B 7 -4.925 -7.712 -8.858 1.00 25.00 O ATOM 425 CB CYS B 7 -6.365 -6.098 -6.436 1.00 25.00 C ATOM 426 SG CYS B 7 -7.284 -4.532 -6.281 1.00 25.00 S ATOM 0 H CYS B 7 -5.988 -5.583 -9.123 1.00 25.00 H new ATOM 0 HA CYS B 7 -4.322 -5.500 -6.645 1.00 25.00 H new ATOM 0 HB2 CYS B 7 -7.010 -6.846 -6.896 1.00 25.00 H new ATOM 0 HB3 CYS B 7 -6.113 -6.464 -5.441 1.00 25.00 H new HETATM 431 N AIB B 8 -3.975 -8.144 -6.821 1.00 25.00 N HETATM 432 CA AIB B 8 -3.581 -9.589 -7.086 1.00 25.00 C HETATM 433 C AIB B 8 -2.927 -9.747 -8.493 1.00 25.00 C HETATM 434 O AIB B 8 -2.080 -8.966 -8.943 1.00 25.00 O HETATM 435 CB1 AIB B 8 -4.898 -10.410 -6.889 1.00 25.00 C HETATM 436 CB2 AIB B 8 -2.544 -10.065 -6.000 1.00 25.00 C HETATM 0 H AIB B 8 -3.676 -7.805 -5.906 1.00 25.00 H new HETATM 0 HB11 AIB B 8 -4.697 -11.467 -7.063 1.00 25.00 H new HETATM 0 HB12 AIB B 8 -5.263 -10.273 -5.871 1.00 25.00 H new HETATM 0 HB13 AIB B 8 -5.652 -10.063 -7.595 1.00 25.00 H new HETATM 0 HB21 AIB B 8 -2.264 -11.101 -6.193 1.00 25.00 H new HETATM 0 HB22 AIB B 8 -1.656 -9.435 -6.044 1.00 25.00 H new HETATM 0 HB23 AIB B 8 -2.993 -9.989 -5.010 1.00 25.00 H new ATOM 444 N SER B 9 -3.374 -10.791 -9.316 1.00 25.00 N ATOM 445 CA SER B 9 -2.917 -11.047 -10.685 1.00 25.00 C ATOM 446 C SER B 9 -3.085 -9.834 -11.640 1.00 25.00 C ATOM 447 O SER B 9 -2.238 -9.629 -12.523 1.00 25.00 O ATOM 448 CB SER B 9 -3.745 -12.220 -11.265 1.00 25.00 C ATOM 449 OG SER B 9 -3.261 -12.586 -12.546 1.00 25.00 O ATOM 0 H SER B 9 -4.073 -11.465 -9.003 1.00 25.00 H new ATOM 0 HA SER B 9 -1.851 -11.268 -10.623 1.00 25.00 H new ATOM 0 HB2 SER B 9 -3.694 -13.076 -10.592 1.00 25.00 H new ATOM 0 HB3 SER B 9 -4.794 -11.932 -11.335 1.00 25.00 H new ATOM 0 HG SER B 9 -3.794 -13.329 -12.897 1.00 25.00 H new ATOM 455 N HIS B 10 -4.110 -9.055 -11.476 1.00 25.00 N ATOM 456 CA HIS B 10 -4.351 -7.958 -12.419 1.00 25.00 C ATOM 457 C HIS B 10 -3.190 -6.963 -12.339 1.00 25.00 C ATOM 458 O HIS B 10 -2.680 -6.479 -13.334 1.00 25.00 O ATOM 459 CB HIS B 10 -5.698 -7.284 -12.126 1.00 25.00 C ATOM 460 CG HIS B 10 -6.770 -8.243 -11.674 1.00 25.00 C ATOM 461 ND1 HIS B 10 -7.344 -9.178 -12.523 1.00 25.00 N ATOM 462 CD2 HIS B 10 -7.413 -8.424 -10.488 1.00 25.00 C ATOM 463 CE1 HIS B 10 -8.211 -9.906 -11.829 1.00 25.00 C ATOM 464 NE2 HIS B 10 -8.263 -9.441 -10.620 1.00 25.00 N ATOM 0 H HIS B 10 -4.791 -9.138 -10.721 1.00 25.00 H new ATOM 0 HA HIS B 10 -4.402 -8.349 -13.435 1.00 25.00 H new ATOM 0 HB2 HIS B 10 -5.555 -6.525 -11.357 1.00 25.00 H new ATOM 0 HB3 HIS B 10 -6.039 -6.768 -13.024 1.00 25.00 H new ATOM 0 HD2 HIS B 10 -7.260 -7.842 -9.592 1.00 25.00 H new ATOM 0 HE1 HIS B 10 -8.777 -10.744 -12.208 1.00 25.00 H new ATOM 0 HE2 HIS B 10 -8.865 -9.801 -9.880 1.00 25.00 H new ATOM 473 N LEU B 11 -2.731 -6.741 -11.112 1.00 25.00 N ATOM 474 CA LEU B 11 -1.600 -5.845 -10.819 1.00 25.00 C ATOM 475 C LEU B 11 -0.332 -6.423 -11.467 1.00 25.00 C ATOM 476 O LEU B 11 0.410 -5.695 -12.146 1.00 25.00 O ATOM 477 CB LEU B 11 -1.480 -5.720 -9.305 1.00 25.00 C ATOM 478 CG LEU B 11 -0.492 -4.742 -8.615 1.00 25.00 C ATOM 479 CD1 LEU B 11 -0.969 -4.530 -7.161 1.00 25.00 C ATOM 480 CD2 LEU B 11 0.904 -5.225 -8.673 1.00 25.00 C ATOM 0 H LEU B 11 -3.131 -7.177 -10.281 1.00 25.00 H new ATOM 0 HA LEU B 11 -1.750 -4.847 -11.231 1.00 25.00 H new ATOM 0 HB2 LEU B 11 -2.474 -5.468 -8.935 1.00 25.00 H new ATOM 0 HB3 LEU B 11 -1.243 -6.716 -8.930 1.00 25.00 H new ATOM 0 HG LEU B 11 -0.491 -3.790 -9.146 1.00 25.00 H new ATOM 0 HD11 LEU B 11 -0.291 -3.845 -6.652 1.00 25.00 H new ATOM 0 HD12 LEU B 11 -1.974 -4.109 -7.166 1.00 25.00 H new ATOM 0 HD13 LEU B 11 -0.979 -5.486 -6.638 1.00 25.00 H new ATOM 0 HD21 LEU B 11 1.558 -4.508 -8.177 1.00 25.00 H new ATOM 0 HD22 LEU B 11 0.976 -6.190 -8.170 1.00 25.00 H new ATOM 0 HD23 LEU B 11 1.208 -5.335 -9.714 1.00 25.00 H new ATOM 492 N VAL B 12 -0.104 -7.725 -11.273 1.00 25.00 N ATOM 493 CA VAL B 12 1.090 -8.370 -11.785 1.00 25.00 C ATOM 494 C VAL B 12 1.096 -8.258 -13.322 1.00 25.00 C ATOM 495 O VAL B 12 2.093 -7.918 -13.928 1.00 25.00 O ATOM 496 CB VAL B 12 1.105 -9.926 -11.372 1.00 25.00 C ATOM 497 CG1 VAL B 12 2.242 -10.662 -12.050 1.00 25.00 C ATOM 498 CG2 VAL B 12 1.161 -10.107 -9.807 1.00 25.00 C ATOM 0 H VAL B 12 -0.734 -8.345 -10.765 1.00 25.00 H new ATOM 0 HA VAL B 12 1.969 -7.882 -11.364 1.00 25.00 H new ATOM 0 HB VAL B 12 0.170 -10.366 -11.719 1.00 25.00 H new ATOM 0 HG11 VAL B 12 2.226 -11.710 -11.752 1.00 25.00 H new ATOM 0 HG12 VAL B 12 2.128 -10.591 -13.132 1.00 25.00 H new ATOM 0 HG13 VAL B 12 3.192 -10.215 -11.755 1.00 25.00 H new ATOM 0 HG21 VAL B 12 1.170 -11.169 -9.564 1.00 25.00 H new ATOM 0 HG22 VAL B 12 2.065 -9.638 -9.419 1.00 25.00 H new ATOM 0 HG23 VAL B 12 0.287 -9.639 -9.355 1.00 25.00 H new ATOM 508 N GLU B 13 -0.015 -8.573 -13.951 1.00 25.00 N ATOM 509 CA GLU B 13 -0.157 -8.572 -15.390 1.00 25.00 C ATOM 510 C GLU B 13 -0.042 -7.147 -16.003 1.00 25.00 C ATOM 511 O GLU B 13 0.661 -6.988 -17.004 1.00 25.00 O ATOM 512 CB GLU B 13 -1.534 -9.183 -15.685 1.00 25.00 C ATOM 513 CG GLU B 13 -1.750 -9.622 -17.158 1.00 25.00 C ATOM 514 CD GLU B 13 -0.977 -10.834 -17.540 1.00 25.00 C ATOM 515 OE1 GLU B 13 -1.105 -11.900 -16.992 1.00 25.00 O ATOM 516 OE2 GLU B 13 -0.138 -10.630 -18.518 1.00 25.00 O ATOM 0 H GLU B 13 -0.868 -8.844 -13.462 1.00 25.00 H new ATOM 0 HA GLU B 13 0.649 -9.147 -15.845 1.00 25.00 H new ATOM 0 HB2 GLU B 13 -1.678 -10.048 -15.038 1.00 25.00 H new ATOM 0 HB3 GLU B 13 -2.302 -8.456 -15.421 1.00 25.00 H new ATOM 0 HG2 GLU B 13 -2.811 -9.813 -17.319 1.00 25.00 H new ATOM 0 HG3 GLU B 13 -1.470 -8.801 -17.817 1.00 25.00 H new ATOM 524 N ALA B 14 -0.633 -6.121 -15.391 1.00 25.00 N ATOM 525 CA ALA B 14 -0.479 -4.756 -15.914 1.00 25.00 C ATOM 526 C ALA B 14 0.967 -4.324 -15.787 1.00 25.00 C ATOM 527 O ALA B 14 1.494 -3.708 -16.711 1.00 25.00 O ATOM 528 CB ALA B 14 -1.421 -3.779 -15.185 1.00 25.00 C ATOM 0 H ALA B 14 -1.210 -6.200 -14.553 1.00 25.00 H new ATOM 0 HA ALA B 14 -0.755 -4.745 -16.969 1.00 25.00 H new ATOM 0 HB1 ALA B 14 -1.289 -2.776 -15.590 1.00 25.00 H new ATOM 0 HB2 ALA B 14 -2.454 -4.095 -15.328 1.00 25.00 H new ATOM 0 HB3 ALA B 14 -1.188 -3.775 -14.120 1.00 25.00 H new ATOM 534 N LEU B 15 1.631 -4.676 -14.695 1.00 25.00 N ATOM 535 CA LEU B 15 3.057 -4.265 -14.544 1.00 25.00 C ATOM 536 C LEU B 15 3.864 -4.989 -15.614 1.00 25.00 C ATOM 537 O LEU B 15 4.685 -4.362 -16.238 1.00 25.00 O ATOM 538 CB LEU B 15 3.609 -4.548 -13.145 1.00 25.00 C ATOM 539 CG LEU B 15 5.028 -4.011 -12.784 1.00 25.00 C ATOM 540 CD1 LEU B 15 5.136 -2.464 -12.913 1.00 25.00 C ATOM 541 CD2 LEU B 15 5.403 -4.350 -11.361 1.00 25.00 C ATOM 0 H LEU B 15 1.246 -5.220 -13.923 1.00 25.00 H new ATOM 0 HA LEU B 15 3.133 -3.185 -14.672 1.00 25.00 H new ATOM 0 HB2 LEU B 15 2.905 -4.138 -12.421 1.00 25.00 H new ATOM 0 HB3 LEU B 15 3.617 -5.629 -13.004 1.00 25.00 H new ATOM 0 HG LEU B 15 5.699 -4.493 -13.495 1.00 25.00 H new ATOM 0 HD11 LEU B 15 6.145 -2.146 -12.650 1.00 25.00 H new ATOM 0 HD12 LEU B 15 4.919 -2.168 -13.939 1.00 25.00 H new ATOM 0 HD13 LEU B 15 4.420 -1.992 -12.240 1.00 25.00 H new ATOM 0 HD21 LEU B 15 6.398 -3.960 -11.144 1.00 25.00 H new ATOM 0 HD22 LEU B 15 4.681 -3.902 -10.678 1.00 25.00 H new ATOM 0 HD23 LEU B 15 5.401 -5.432 -11.232 1.00 25.00 H new ATOM 553 N TYR B 16 3.601 -6.297 -15.820 1.00 25.00 N ATOM 554 CA TYR B 16 4.360 -7.073 -16.781 1.00 25.00 C ATOM 555 C TYR B 16 4.165 -6.512 -18.173 1.00 25.00 C ATOM 556 O TYR B 16 5.118 -6.375 -18.957 1.00 25.00 O ATOM 557 CB TYR B 16 3.976 -8.563 -16.761 1.00 25.00 C ATOM 558 CG TYR B 16 4.777 -9.407 -17.737 1.00 25.00 C ATOM 559 CD1 TYR B 16 6.171 -9.536 -17.601 1.00 25.00 C ATOM 560 CD2 TYR B 16 4.157 -10.040 -18.799 1.00 25.00 C ATOM 561 CE1 TYR B 16 6.927 -10.316 -18.543 1.00 25.00 C ATOM 562 CE2 TYR B 16 4.912 -10.751 -19.766 1.00 25.00 C ATOM 563 CZ TYR B 16 6.298 -10.881 -19.616 1.00 25.00 C ATOM 564 OH TYR B 16 7.029 -11.585 -20.557 1.00 25.00 O ATOM 0 H TYR B 16 2.874 -6.819 -15.332 1.00 25.00 H new ATOM 0 HA TYR B 16 5.410 -7.000 -16.497 1.00 25.00 H new ATOM 0 HB2 TYR B 16 4.118 -8.953 -15.753 1.00 25.00 H new ATOM 0 HB3 TYR B 16 2.916 -8.660 -16.994 1.00 25.00 H new ATOM 0 HD1 TYR B 16 6.677 -9.045 -16.783 1.00 25.00 H new ATOM 0 HD2 TYR B 16 3.082 -9.992 -18.893 1.00 25.00 H new ATOM 0 HE1 TYR B 16 7.989 -10.455 -18.403 1.00 25.00 H new ATOM 0 HE2 TYR B 16 4.418 -11.193 -20.619 1.00 25.00 H new ATOM 0 HH TYR B 16 6.421 -12.117 -21.112 1.00 25.00 H new ATOM 574 N LEU B 17 2.932 -6.163 -18.503 1.00 25.00 N ATOM 575 CA LEU B 17 2.645 -5.594 -19.822 1.00 25.00 C ATOM 576 C LEU B 17 3.366 -4.277 -20.048 1.00 25.00 C ATOM 577 O LEU B 17 3.838 -4.016 -21.168 1.00 25.00 O ATOM 578 CB LEU B 17 1.123 -5.411 -20.053 1.00 25.00 C ATOM 579 CG LEU B 17 0.421 -6.731 -20.414 1.00 25.00 C ATOM 580 CD1 LEU B 17 -1.037 -6.631 -20.213 1.00 25.00 C ATOM 581 CD2 LEU B 17 0.733 -7.156 -21.873 1.00 25.00 C ATOM 0 H LEU B 17 2.122 -6.259 -17.891 1.00 25.00 H new ATOM 0 HA LEU B 17 3.020 -6.314 -20.549 1.00 25.00 H new ATOM 0 HB2 LEU B 17 0.669 -4.996 -19.153 1.00 25.00 H new ATOM 0 HB3 LEU B 17 0.964 -4.688 -20.853 1.00 25.00 H new ATOM 0 HG LEU B 17 0.810 -7.498 -19.744 1.00 25.00 H new ATOM 0 HD11 LEU B 17 -1.506 -7.579 -20.476 1.00 25.00 H new ATOM 0 HD12 LEU B 17 -1.245 -6.401 -19.168 1.00 25.00 H new ATOM 0 HD13 LEU B 17 -1.438 -5.839 -20.846 1.00 25.00 H new ATOM 0 HD21 LEU B 17 0.222 -8.092 -22.096 1.00 25.00 H new ATOM 0 HD22 LEU B 17 0.389 -6.382 -22.559 1.00 25.00 H new ATOM 0 HD23 LEU B 17 1.808 -7.293 -21.990 1.00 25.00 H new ATOM 593 N VAL B 18 3.424 -3.403 -19.056 1.00 25.00 N ATOM 594 CA VAL B 18 4.023 -2.074 -19.289 1.00 25.00 C ATOM 595 C VAL B 18 5.556 -2.149 -19.284 1.00 25.00 C ATOM 596 O VAL B 18 6.241 -1.326 -19.930 1.00 25.00 O ATOM 597 CB VAL B 18 3.532 -0.962 -18.233 1.00 25.00 C ATOM 598 CG1 VAL B 18 4.103 -1.128 -16.837 1.00 25.00 C ATOM 599 CG2 VAL B 18 3.812 0.428 -18.758 1.00 25.00 C ATOM 0 H VAL B 18 3.081 -3.568 -18.110 1.00 25.00 H new ATOM 0 HA VAL B 18 3.676 -1.762 -20.274 1.00 25.00 H new ATOM 0 HB VAL B 18 2.457 -1.110 -18.130 1.00 25.00 H new ATOM 0 HG11 VAL B 18 3.721 -0.338 -16.191 1.00 25.00 H new ATOM 0 HG12 VAL B 18 3.809 -2.098 -16.437 1.00 25.00 H new ATOM 0 HG13 VAL B 18 5.191 -1.068 -16.879 1.00 25.00 H new ATOM 0 HG21 VAL B 18 3.474 1.166 -18.031 1.00 25.00 H new ATOM 0 HG22 VAL B 18 4.883 0.546 -18.923 1.00 25.00 H new ATOM 0 HG23 VAL B 18 3.282 0.575 -19.699 1.00 25.00 H new ATOM 609 N CYS B 19 6.077 -3.108 -18.531 1.00 25.00 N ATOM 610 CA CYS B 19 7.514 -3.329 -18.503 1.00 25.00 C ATOM 611 C CYS B 19 7.915 -4.073 -19.790 1.00 25.00 C ATOM 612 O CYS B 19 9.096 -4.094 -20.167 1.00 25.00 O ATOM 613 CB CYS B 19 7.873 -4.168 -17.285 1.00 25.00 C ATOM 614 SG CYS B 19 8.900 -3.262 -16.076 1.00 25.00 S ATOM 0 H CYS B 19 5.534 -3.737 -17.939 1.00 25.00 H new ATOM 0 HA CYS B 19 8.044 -2.378 -18.444 1.00 25.00 H new ATOM 0 HB2 CYS B 19 6.957 -4.503 -16.798 1.00 25.00 H new ATOM 0 HB3 CYS B 19 8.406 -5.062 -17.610 1.00 25.00 H new ATOM 619 N GLY B 20 6.969 -4.721 -20.447 1.00 25.00 N ATOM 620 CA GLY B 20 7.266 -5.517 -21.596 1.00 25.00 C ATOM 621 C GLY B 20 7.802 -6.840 -21.119 1.00 25.00 C ATOM 622 O GLY B 20 7.849 -7.136 -19.944 1.00 25.00 O ATOM 0 H GLY B 20 5.982 -4.702 -20.190 1.00 25.00 H new ATOM 0 HA2 GLY B 20 6.370 -5.664 -22.200 1.00 25.00 H new ATOM 0 HA3 GLY B 20 7.998 -5.015 -22.229 1.00 25.00 H new ATOM 626 N GLU B 21 8.283 -7.619 -22.078 1.00 25.00 N ATOM 627 CA GLU B 21 8.848 -8.944 -21.797 1.00 25.00 C ATOM 628 C GLU B 21 10.160 -8.813 -21.020 1.00 25.00 C ATOM 629 O GLU B 21 10.734 -9.834 -20.615 1.00 25.00 O ATOM 630 CB GLU B 21 9.018 -9.766 -23.091 1.00 25.00 C ATOM 631 CG GLU B 21 7.716 -10.335 -23.702 1.00 25.00 C ATOM 632 CD GLU B 21 7.973 -11.326 -24.783 1.00 25.00 C ATOM 633 OE1 GLU B 21 8.550 -11.073 -25.795 1.00 25.00 O ATOM 634 OE2 GLU B 21 7.467 -12.477 -24.527 1.00 25.00 O ATOM 0 H GLU B 21 8.296 -7.360 -23.064 1.00 25.00 H new ATOM 0 HA GLU B 21 8.147 -9.492 -21.168 1.00 25.00 H new ATOM 0 HB2 GLU B 21 9.503 -9.137 -23.838 1.00 25.00 H new ATOM 0 HB3 GLU B 21 9.694 -10.596 -22.886 1.00 25.00 H new ATOM 0 HG2 GLU B 21 7.126 -10.806 -22.916 1.00 25.00 H new ATOM 0 HG3 GLU B 21 7.118 -9.515 -24.101 1.00 25.00 H new ATOM 642 N ARG B 22 10.637 -7.591 -20.838 1.00 25.00 N ATOM 643 CA ARG B 22 11.910 -7.361 -20.125 1.00 25.00 C ATOM 644 C ARG B 22 11.778 -7.696 -18.642 1.00 25.00 C ATOM 645 O ARG B 22 12.751 -7.976 -17.987 1.00 25.00 O ATOM 646 CB ARG B 22 12.303 -5.867 -20.213 1.00 25.00 C ATOM 647 CG ARG B 22 13.058 -5.474 -21.535 1.00 25.00 C ATOM 648 CD ARG B 22 12.118 -5.123 -22.739 1.00 25.00 C ATOM 649 NE ARG B 22 11.890 -6.278 -23.604 1.00 25.00 N ATOM 650 CZ ARG B 22 11.107 -6.317 -24.687 1.00 25.00 C ATOM 651 NH1 ARG B 22 10.424 -5.260 -25.086 1.00 25.00 N ATOM 652 NH2 ARG B 22 11.004 -7.439 -25.365 1.00 25.00 N ATOM 0 H ARG B 22 10.176 -6.742 -21.166 1.00 25.00 H new ATOM 0 HA ARG B 22 12.660 -7.999 -20.592 1.00 25.00 H new ATOM 0 HB2 ARG B 22 11.401 -5.261 -20.129 1.00 25.00 H new ATOM 0 HB3 ARG B 22 12.935 -5.619 -19.360 1.00 25.00 H new ATOM 0 HG2 ARG B 22 13.701 -4.618 -21.331 1.00 25.00 H new ATOM 0 HG3 ARG B 22 13.708 -6.299 -21.826 1.00 25.00 H new ATOM 0 HD2 ARG B 22 11.163 -4.758 -22.360 1.00 25.00 H new ATOM 0 HD3 ARG B 22 12.560 -4.314 -23.321 1.00 25.00 H new ATOM 0 HE ARG B 22 12.376 -7.140 -23.357 1.00 25.00 H new ATOM 0 HH11 ARG B 22 10.486 -4.386 -24.564 1.00 25.00 H new ATOM 0 HH12 ARG B 22 9.834 -5.318 -25.916 1.00 25.00 H new ATOM 0 HH21 ARG B 22 11.518 -8.266 -25.063 1.00 25.00 H new ATOM 0 HH22 ARG B 22 10.410 -7.482 -26.193 1.00 25.00 H new ATOM 666 N GLY B 23 10.542 -7.699 -18.157 1.00 25.00 N ATOM 667 CA GLY B 23 10.253 -8.129 -16.785 1.00 25.00 C ATOM 668 C GLY B 23 10.527 -7.024 -15.794 1.00 25.00 C ATOM 669 O GLY B 23 10.897 -5.909 -16.153 1.00 25.00 O ATOM 0 H GLY B 23 9.721 -7.410 -18.689 1.00 25.00 H new ATOM 0 HA2 GLY B 23 9.210 -8.437 -16.710 1.00 25.00 H new ATOM 0 HA3 GLY B 23 10.861 -9.000 -16.539 1.00 25.00 H new ATOM 673 N PHE B 24 10.284 -7.349 -14.513 1.00 25.00 N ATOM 674 CA PHE B 24 10.530 -6.409 -13.421 1.00 25.00 C ATOM 675 C PHE B 24 11.044 -7.155 -12.214 1.00 25.00 C ATOM 676 O PHE B 24 10.947 -8.364 -12.146 1.00 25.00 O ATOM 677 CB PHE B 24 9.221 -5.705 -13.034 1.00 25.00 C ATOM 678 CG PHE B 24 8.077 -6.662 -12.712 1.00 25.00 C ATOM 679 CD1 PHE B 24 7.904 -7.220 -11.415 1.00 25.00 C ATOM 680 CD2 PHE B 24 7.137 -6.958 -13.701 1.00 25.00 C ATOM 681 CE1 PHE B 24 6.830 -8.056 -11.140 1.00 25.00 C ATOM 682 CE2 PHE B 24 5.983 -7.818 -13.416 1.00 25.00 C ATOM 683 CZ PHE B 24 5.844 -8.339 -12.143 1.00 25.00 C ATOM 0 H PHE B 24 9.919 -8.254 -14.215 1.00 25.00 H new ATOM 0 HA PHE B 24 11.265 -5.675 -13.750 1.00 25.00 H new ATOM 0 HB2 PHE B 24 9.404 -5.069 -12.168 1.00 25.00 H new ATOM 0 HB3 PHE B 24 8.916 -5.051 -13.851 1.00 25.00 H new ATOM 0 HD1 PHE B 24 8.616 -6.991 -10.636 1.00 25.00 H new ATOM 0 HD2 PHE B 24 7.261 -6.547 -14.692 1.00 25.00 H new ATOM 0 HE1 PHE B 24 6.736 -8.499 -10.159 1.00 25.00 H new ATOM 0 HE2 PHE B 24 5.257 -8.039 -14.185 1.00 25.00 H new ATOM 0 HZ PHE B 24 4.993 -8.959 -11.904 1.00 25.00 H new ATOM 693 N PHE B 25 11.537 -6.411 -11.229 1.00 25.00 N ATOM 694 CA PHE B 25 12.077 -7.013 -10.007 1.00 25.00 C ATOM 695 C PHE B 25 11.443 -6.412 -8.744 1.00 25.00 C ATOM 696 O PHE B 25 12.032 -6.506 -7.668 1.00 25.00 O ATOM 697 CB PHE B 25 13.594 -6.859 -9.974 1.00 25.00 C ATOM 698 CG PHE B 25 14.314 -7.744 -10.924 1.00 25.00 C ATOM 699 CD1 PHE B 25 13.991 -9.140 -11.010 1.00 25.00 C ATOM 700 CD2 PHE B 25 15.318 -7.223 -11.756 1.00 25.00 C ATOM 701 CE1 PHE B 25 14.668 -9.989 -11.951 1.00 25.00 C ATOM 702 CE2 PHE B 25 16.043 -8.075 -12.658 1.00 25.00 C ATOM 703 CZ PHE B 25 15.692 -9.473 -12.765 1.00 25.00 C ATOM 0 H PHE B 25 11.575 -5.392 -11.249 1.00 25.00 H new ATOM 0 HA PHE B 25 11.826 -8.074 -10.019 1.00 25.00 H new ATOM 0 HB2 PHE B 25 13.848 -5.823 -10.196 1.00 25.00 H new ATOM 0 HB3 PHE B 25 13.947 -7.065 -8.964 1.00 25.00 H new ATOM 0 HD1 PHE B 25 13.233 -9.555 -10.362 1.00 25.00 H new ATOM 0 HD2 PHE B 25 15.548 -6.169 -11.718 1.00 25.00 H new ATOM 0 HE1 PHE B 25 14.389 -11.029 -12.034 1.00 25.00 H new ATOM 0 HE2 PHE B 25 16.848 -7.672 -13.254 1.00 25.00 H new ATOM 0 HZ PHE B 25 16.210 -10.114 -13.462 1.00 25.00 H new ATOM 713 N TYR B 26 10.252 -5.864 -8.880 1.00 25.00 N ATOM 714 CA TYR B 26 9.506 -5.352 -7.722 1.00 25.00 C ATOM 715 C TYR B 26 9.192 -6.535 -6.786 1.00 25.00 C ATOM 716 O TYR B 26 9.198 -6.392 -5.552 1.00 25.00 O ATOM 717 CB TYR B 26 8.251 -4.630 -8.224 1.00 25.00 C ATOM 718 CG TYR B 26 7.181 -4.486 -7.172 1.00 25.00 C ATOM 719 CD1 TYR B 26 7.320 -3.585 -6.116 1.00 25.00 C ATOM 720 CD2 TYR B 26 6.044 -5.330 -7.188 1.00 25.00 C ATOM 721 CE1 TYR B 26 6.313 -3.495 -5.068 1.00 25.00 C ATOM 722 CE2 TYR B 26 5.047 -5.260 -6.198 1.00 25.00 C ATOM 723 CZ TYR B 26 5.168 -4.346 -5.117 1.00 25.00 C ATOM 724 OH TYR B 26 4.247 -4.283 -4.108 1.00 25.00 O ATOM 0 H TYR B 26 9.772 -5.757 -9.773 1.00 25.00 H new ATOM 0 HA TYR B 26 10.085 -4.627 -7.151 1.00 25.00 H new ATOM 0 HB2 TYR B 26 8.530 -3.640 -8.585 1.00 25.00 H new ATOM 0 HB3 TYR B 26 7.843 -5.176 -9.074 1.00 25.00 H new ATOM 0 HD1 TYR B 26 8.188 -2.944 -6.075 1.00 25.00 H new ATOM 0 HD2 TYR B 26 5.939 -6.050 -7.986 1.00 25.00 H new ATOM 0 HE1 TYR B 26 6.432 -2.789 -4.259 1.00 25.00 H new ATOM 0 HE2 TYR B 26 4.183 -5.906 -6.260 1.00 25.00 H new ATOM 0 HH TYR B 26 3.525 -4.922 -4.284 1.00 25.00 H new ATOM 734 N THR B 27 8.982 -7.678 -7.400 1.00 25.00 N ATOM 735 CA THR B 27 8.800 -8.943 -6.712 1.00 25.00 C ATOM 736 C THR B 27 9.058 -9.948 -7.819 1.00 25.00 C ATOM 737 O THR B 27 8.910 -9.552 -8.980 1.00 25.00 O ATOM 738 CB THR B 27 7.360 -9.122 -6.147 1.00 25.00 C ATOM 739 OG1 THR B 27 7.253 -10.330 -5.427 1.00 25.00 O ATOM 740 CG2 THR B 27 6.361 -9.098 -7.264 1.00 25.00 C ATOM 0 H THR B 27 8.931 -7.759 -8.416 1.00 25.00 H new ATOM 0 HA THR B 27 9.451 -9.040 -5.843 1.00 25.00 H new ATOM 0 HB THR B 27 7.152 -8.296 -5.467 1.00 25.00 H new ATOM 0 HG1 THR B 27 6.342 -10.424 -5.079 1.00 25.00 H new ATOM 0 HG21 THR B 27 5.358 -9.224 -6.857 1.00 25.00 H new ATOM 0 HG22 THR B 27 6.423 -8.144 -7.787 1.00 25.00 H new ATOM 0 HG23 THR B 27 6.575 -9.909 -7.961 1.00 25.00 H new ATOM 748 N LYS B 28 9.258 -11.235 -7.501 1.00 25.00 N ATOM 749 CA LYS B 28 9.441 -12.207 -8.575 1.00 25.00 C ATOM 750 C LYS B 28 8.067 -12.710 -9.042 1.00 25.00 C ATOM 751 O LYS B 28 7.310 -13.146 -8.207 1.00 25.00 O ATOM 752 CB LYS B 28 10.308 -13.364 -8.081 1.00 25.00 C ATOM 753 CG LYS B 28 11.684 -12.918 -7.558 1.00 25.00 C ATOM 754 CD LYS B 28 12.615 -12.532 -8.654 1.00 25.00 C ATOM 755 CE LYS B 28 14.040 -12.314 -8.044 1.00 25.00 C ATOM 756 NZ LYS B 28 14.996 -11.717 -9.080 1.00 25.00 N ATOM 0 H LYS B 28 9.296 -11.610 -6.553 1.00 25.00 H new ATOM 0 HA LYS B 28 9.947 -11.738 -9.419 1.00 25.00 H new ATOM 0 HB2 LYS B 28 9.779 -13.891 -7.287 1.00 25.00 H new ATOM 0 HB3 LYS B 28 10.450 -14.075 -8.895 1.00 25.00 H new ATOM 0 HG2 LYS B 28 11.555 -12.073 -6.881 1.00 25.00 H new ATOM 0 HG3 LYS B 28 12.128 -13.727 -6.977 1.00 25.00 H new ATOM 0 HD2 LYS B 28 12.645 -13.310 -9.417 1.00 25.00 H new ATOM 0 HD3 LYS B 28 12.269 -11.621 -9.142 1.00 25.00 H new ATOM 0 HE2 LYS B 28 13.973 -11.651 -7.182 1.00 25.00 H new ATOM 0 HE3 LYS B 28 14.435 -13.264 -7.685 1.00 25.00 H new ATOM 0 HZ1 LYS B 28 15.802 -11.274 -8.594 1.00 25.00 H new ATOM 0 HZ2 LYS B 28 15.342 -12.470 -9.708 1.00 25.00 H new ATOM 0 HZ3 LYS B 28 14.494 -11.001 -9.643 1.00 25.00 H new ATOM 770 N PRO B 29 7.740 -12.593 -10.343 1.00 25.00 N ATOM 771 CA PRO B 29 6.411 -13.055 -10.760 1.00 25.00 C ATOM 772 C PRO B 29 6.326 -14.608 -10.824 1.00 25.00 C ATOM 773 O PRO B 29 6.218 -15.224 -11.892 1.00 25.00 O ATOM 774 CB PRO B 29 6.278 -12.418 -12.154 1.00 25.00 C ATOM 775 CG PRO B 29 7.684 -12.337 -12.685 1.00 25.00 C ATOM 776 CD PRO B 29 8.534 -12.059 -11.447 1.00 25.00 C ATOM 0 HA PRO B 29 5.615 -12.775 -10.070 1.00 25.00 H new ATOM 0 HB2 PRO B 29 5.645 -13.022 -12.804 1.00 25.00 H new ATOM 0 HB3 PRO B 29 5.822 -11.430 -12.094 1.00 25.00 H new ATOM 0 HG2 PRO B 29 7.980 -13.266 -13.172 1.00 25.00 H new ATOM 0 HG3 PRO B 29 7.786 -11.543 -13.425 1.00 25.00 H new ATOM 0 HD2 PRO B 29 9.506 -12.548 -11.512 1.00 25.00 H new ATOM 0 HD3 PRO B 29 8.722 -10.992 -11.324 1.00 25.00 H new ATOM 784 N THR B 30 6.315 -15.244 -9.646 1.00 25.00 N ATOM 785 CA THR B 30 6.221 -16.706 -9.517 1.00 25.00 C ATOM 786 C THR B 30 4.869 -17.270 -9.890 1.00 25.00 C ATOM 787 O THR B 30 4.085 -17.813 -9.105 1.00 25.00 O ATOM 788 CB THR B 30 6.582 -17.094 -8.044 1.00 25.00 C ATOM 789 OG1 THR B 30 5.825 -16.282 -7.143 1.00 25.00 O ATOM 790 CG2 THR B 30 8.061 -16.830 -7.799 1.00 25.00 C ATOM 791 OXT THR B 30 4.542 -17.083 -11.150 1.00 25.00 O ATOM 0 H THR B 30 6.371 -14.758 -8.751 1.00 25.00 H new ATOM 0 HA THR B 30 6.923 -17.143 -10.227 1.00 25.00 H new ATOM 0 HB THR B 30 6.357 -18.148 -7.884 1.00 25.00 H new ATOM 0 HG1 THR B 30 6.047 -16.523 -6.220 1.00 25.00 H new ATOM 0 HG21 THR B 30 8.314 -17.100 -6.774 1.00 25.00 H new ATOM 0 HG22 THR B 30 8.656 -17.428 -8.489 1.00 25.00 H new ATOM 0 HG23 THR B 30 8.273 -15.773 -7.959 1.00 25.00 H new TER 800 THR B 30