USER MOD reduce.3.24.130724 H: found=0, std=0, add=483, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 483 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 NoAdj-H: A 1 LEU H2 : A 1 LEU N : A 64 TRP C :(NH2R) USER MOD Single : A 1 LEU N :NH3+ -130:sc= 1.5 (180deg=-0.828) USER MOD Single : A 2 THR OG1 : rot 88:sc= 0.114 USER MOD Single : A 4 ASN : amide:sc= 1.11 K(o=1.1,f=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0.311 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 164:sc= -0.0468 (180deg=-0.342) USER MOD Single : A 14 LYS NZ :NH3+ 165:sc= -0.0275 (180deg=-0.23) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 21 THR OG1 : rot -80:sc= 0.912 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.265 USER MOD Single : A 33 THR OG1 : rot 79:sc= 1.31 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.0641 USER MOD Single : A 48 THR OG1 : rot 79:sc= 1.26 USER MOD Single : A 50 LYS NZ :NH3+ -128:sc= 1.18 (180deg=-0.258) USER MOD Single : A 51 SER OG : rot 79:sc= 1.11 USER MOD Single : A 54 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0691) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -163:sc= -0.0276 (180deg=-0.383) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 5.815 -3.300 0.864 1.00 0.00 N ATOM 2 CA LEU A 1 4.541 -3.996 0.813 1.00 0.00 C ATOM 3 C LEU A 1 4.749 -5.435 0.388 1.00 0.00 C ATOM 4 O LEU A 1 4.353 -6.363 1.085 1.00 0.00 O ATOM 5 CB LEU A 1 3.586 -3.307 -0.165 1.00 0.00 C ATOM 6 CG LEU A 1 3.031 -1.944 0.250 1.00 0.00 C ATOM 7 CD1 LEU A 1 2.327 -1.308 -0.921 1.00 0.00 C ATOM 8 CD2 LEU A 1 2.061 -2.093 1.410 1.00 0.00 C ATOM 0 H1 LEU A 1 5.905 -2.808 1.776 1.00 0.00 H new ATOM 0 H3 LEU A 1 5.863 -2.607 0.090 1.00 0.00 H new ATOM 0 HA LEU A 1 4.101 -3.973 1.810 1.00 0.00 H new ATOM 0 HB2 LEU A 1 4.104 -3.186 -1.116 1.00 0.00 H new ATOM 0 HB3 LEU A 1 2.744 -3.975 -0.344 1.00 0.00 H new ATOM 0 HG LEU A 1 3.859 -1.311 0.568 1.00 0.00 H new ATOM 0 HD11 LEU A 1 1.932 -0.337 -0.624 1.00 0.00 H new ATOM 0 HD12 LEU A 1 3.032 -1.177 -1.742 1.00 0.00 H new ATOM 0 HD13 LEU A 1 1.507 -1.949 -1.245 1.00 0.00 H new ATOM 0 HD21 LEU A 1 1.677 -1.113 1.691 1.00 0.00 H new ATOM 0 HD22 LEU A 1 1.233 -2.735 1.111 1.00 0.00 H new ATOM 0 HD23 LEU A 1 2.577 -2.538 2.261 1.00 0.00 H new ATOM 20 N THR A 2 5.419 -5.612 -0.725 1.00 0.00 N ATOM 21 CA THR A 2 5.704 -6.921 -1.261 1.00 0.00 C ATOM 22 C THR A 2 6.463 -7.792 -0.251 1.00 0.00 C ATOM 23 O THR A 2 6.064 -8.935 -0.007 1.00 0.00 O ATOM 24 CB THR A 2 6.498 -6.788 -2.594 1.00 0.00 C ATOM 25 OG1 THR A 2 5.675 -6.214 -3.620 1.00 0.00 O ATOM 26 CG2 THR A 2 7.091 -8.105 -3.060 1.00 0.00 C ATOM 0 H THR A 2 5.785 -4.845 -1.289 1.00 0.00 H new ATOM 0 HA THR A 2 4.757 -7.420 -1.465 1.00 0.00 H new ATOM 0 HB THR A 2 7.335 -6.119 -2.393 1.00 0.00 H new ATOM 0 HG1 THR A 2 5.738 -5.237 -3.582 1.00 0.00 H new ATOM 0 HG21 THR A 2 7.633 -7.950 -3.993 1.00 0.00 H new ATOM 0 HG22 THR A 2 7.776 -8.484 -2.302 1.00 0.00 H new ATOM 0 HG23 THR A 2 6.291 -8.828 -3.220 1.00 0.00 H new ATOM 34 N ALA A 3 7.479 -7.210 0.363 1.00 0.00 N ATOM 35 CA ALA A 3 8.377 -7.896 1.291 1.00 0.00 C ATOM 36 C ALA A 3 7.702 -8.314 2.599 1.00 0.00 C ATOM 37 O ALA A 3 8.018 -9.362 3.159 1.00 0.00 O ATOM 38 CB ALA A 3 9.567 -7.006 1.592 1.00 0.00 C ATOM 0 H ALA A 3 7.712 -6.226 0.231 1.00 0.00 H new ATOM 0 HA ALA A 3 8.695 -8.815 0.799 1.00 0.00 H new ATOM 0 HB1 ALA A 3 10.237 -7.516 2.284 1.00 0.00 H new ATOM 0 HB2 ALA A 3 10.100 -6.785 0.667 1.00 0.00 H new ATOM 0 HB3 ALA A 3 9.221 -6.076 2.042 1.00 0.00 H new ATOM 44 N ASN A 4 6.800 -7.498 3.086 1.00 0.00 N ATOM 45 CA ASN A 4 6.155 -7.769 4.374 1.00 0.00 C ATOM 46 C ASN A 4 4.874 -8.554 4.225 1.00 0.00 C ATOM 47 O ASN A 4 4.525 -9.364 5.084 1.00 0.00 O ATOM 48 CB ASN A 4 5.902 -6.465 5.156 1.00 0.00 C ATOM 49 CG ASN A 4 7.175 -5.849 5.711 1.00 0.00 C ATOM 50 OD1 ASN A 4 7.579 -6.128 6.847 1.00 0.00 O ATOM 51 ND2 ASN A 4 7.806 -5.017 4.942 1.00 0.00 N ATOM 0 H ASN A 4 6.489 -6.644 2.624 1.00 0.00 H new ATOM 0 HA ASN A 4 6.848 -8.388 4.943 1.00 0.00 H new ATOM 0 HB2 ASN A 4 5.412 -5.745 4.501 1.00 0.00 H new ATOM 0 HB3 ASN A 4 5.215 -6.668 5.978 1.00 0.00 H new ATOM 0 HD21 ASN A 4 8.663 -4.570 5.268 1.00 0.00 H new ATOM 0 HD22 ASN A 4 7.445 -4.809 4.011 1.00 0.00 H new ATOM 58 N LEU A 5 4.170 -8.328 3.148 1.00 0.00 N ATOM 59 CA LEU A 5 2.896 -8.988 2.940 1.00 0.00 C ATOM 60 C LEU A 5 3.073 -10.274 2.153 1.00 0.00 C ATOM 61 O LEU A 5 2.270 -11.213 2.284 1.00 0.00 O ATOM 62 CB LEU A 5 1.981 -8.056 2.176 1.00 0.00 C ATOM 63 CG LEU A 5 1.795 -6.667 2.780 1.00 0.00 C ATOM 64 CD1 LEU A 5 1.094 -5.778 1.795 1.00 0.00 C ATOM 65 CD2 LEU A 5 1.031 -6.732 4.097 1.00 0.00 C ATOM 0 H LEU A 5 4.451 -7.695 2.399 1.00 0.00 H new ATOM 0 HA LEU A 5 2.465 -9.235 3.910 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.371 -7.943 1.164 1.00 0.00 H new ATOM 0 HB3 LEU A 5 1.002 -8.528 2.089 1.00 0.00 H new ATOM 0 HG LEU A 5 2.778 -6.249 2.998 1.00 0.00 H new ATOM 0 HD11 LEU A 5 0.962 -4.787 2.229 1.00 0.00 H new ATOM 0 HD12 LEU A 5 1.691 -5.700 0.886 1.00 0.00 H new ATOM 0 HD13 LEU A 5 0.119 -6.201 1.553 1.00 0.00 H new ATOM 0 HD21 LEU A 5 0.916 -5.726 4.501 1.00 0.00 H new ATOM 0 HD22 LEU A 5 0.047 -7.169 3.926 1.00 0.00 H new ATOM 0 HD23 LEU A 5 1.583 -7.347 4.808 1.00 0.00 H new ATOM 77 N GLY A 6 4.114 -10.322 1.337 1.00 0.00 N ATOM 78 CA GLY A 6 4.370 -11.500 0.545 1.00 0.00 C ATOM 79 C GLY A 6 3.504 -11.493 -0.677 1.00 0.00 C ATOM 80 O GLY A 6 2.964 -12.517 -1.078 1.00 0.00 O ATOM 0 H GLY A 6 4.785 -9.564 1.211 1.00 0.00 H new ATOM 0 HA2 GLY A 6 5.421 -11.533 0.256 1.00 0.00 H new ATOM 0 HA3 GLY A 6 4.173 -12.395 1.135 1.00 0.00 H new ATOM 84 N ILE A 7 3.365 -10.331 -1.265 1.00 0.00 N ATOM 85 CA ILE A 7 2.487 -10.171 -2.414 1.00 0.00 C ATOM 86 C ILE A 7 3.285 -9.897 -3.664 1.00 0.00 C ATOM 87 O ILE A 7 4.499 -9.717 -3.596 1.00 0.00 O ATOM 88 CB ILE A 7 1.447 -9.041 -2.215 1.00 0.00 C ATOM 89 CG1 ILE A 7 2.133 -7.693 -1.928 1.00 0.00 C ATOM 90 CG2 ILE A 7 0.465 -9.407 -1.112 1.00 0.00 C ATOM 91 CD1 ILE A 7 1.177 -6.525 -1.838 1.00 0.00 C ATOM 0 H ILE A 7 3.844 -9.479 -0.973 1.00 0.00 H new ATOM 0 HA ILE A 7 1.946 -11.111 -2.519 1.00 0.00 H new ATOM 0 HB ILE A 7 0.887 -8.929 -3.144 1.00 0.00 H new ATOM 0 HG12 ILE A 7 2.686 -7.770 -0.992 1.00 0.00 H new ATOM 0 HG13 ILE A 7 2.862 -7.493 -2.713 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.258 -8.601 -0.986 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.058 -10.325 -1.380 1.00 0.00 H new ATOM 0 HG23 ILE A 7 1.006 -9.557 -0.178 1.00 0.00 H new ATOM 0 HD11 ILE A 7 1.736 -5.612 -1.634 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.642 -6.419 -2.782 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.463 -6.701 -1.033 1.00 0.00 H new ATOM 103 N SER A 8 2.616 -9.842 -4.783 1.00 0.00 N ATOM 104 CA SER A 8 3.257 -9.596 -6.045 1.00 0.00 C ATOM 105 C SER A 8 3.604 -8.108 -6.190 1.00 0.00 C ATOM 106 O SER A 8 3.062 -7.253 -5.457 1.00 0.00 O ATOM 107 CB SER A 8 2.327 -10.057 -7.175 1.00 0.00 C ATOM 108 OG SER A 8 1.066 -9.399 -7.097 1.00 0.00 O ATOM 0 H SER A 8 1.606 -9.967 -4.845 1.00 0.00 H new ATOM 0 HA SER A 8 4.189 -10.158 -6.099 1.00 0.00 H new ATOM 0 HB2 SER A 8 2.790 -9.850 -8.140 1.00 0.00 H new ATOM 0 HB3 SER A 8 2.183 -11.136 -7.115 1.00 0.00 H new ATOM 0 HG SER A 8 0.490 -9.707 -7.828 1.00 0.00 H new ATOM 114 N SER A 9 4.493 -7.798 -7.112 1.00 0.00 N ATOM 115 CA SER A 9 4.872 -6.438 -7.390 1.00 0.00 C ATOM 116 C SER A 9 3.674 -5.718 -8.034 1.00 0.00 C ATOM 117 O SER A 9 3.494 -4.502 -7.865 1.00 0.00 O ATOM 118 CB SER A 9 6.114 -6.417 -8.314 1.00 0.00 C ATOM 119 OG SER A 9 6.670 -5.107 -8.446 1.00 0.00 O ATOM 0 H SER A 9 4.972 -8.489 -7.689 1.00 0.00 H new ATOM 0 HA SER A 9 5.140 -5.919 -6.470 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.871 -7.092 -7.916 1.00 0.00 H new ATOM 0 HB3 SER A 9 5.838 -6.793 -9.299 1.00 0.00 H new ATOM 0 HG SER A 9 7.452 -5.141 -9.036 1.00 0.00 H new ATOM 125 N TYR A 10 2.849 -6.499 -8.738 1.00 0.00 N ATOM 126 CA TYR A 10 1.625 -6.019 -9.365 1.00 0.00 C ATOM 127 C TYR A 10 0.677 -5.521 -8.291 1.00 0.00 C ATOM 128 O TYR A 10 0.270 -4.361 -8.304 1.00 0.00 O ATOM 129 CB TYR A 10 0.960 -7.168 -10.132 1.00 0.00 C ATOM 130 CG TYR A 10 -0.250 -6.793 -10.987 1.00 0.00 C ATOM 131 CD1 TYR A 10 -1.544 -6.715 -10.452 1.00 0.00 C ATOM 132 CD2 TYR A 10 -0.101 -6.551 -12.343 1.00 0.00 C ATOM 133 CE1 TYR A 10 -2.626 -6.410 -11.257 1.00 0.00 C ATOM 134 CE2 TYR A 10 -1.183 -6.250 -13.142 1.00 0.00 C ATOM 135 CZ TYR A 10 -2.439 -6.184 -12.597 1.00 0.00 C ATOM 136 OH TYR A 10 -3.519 -5.883 -13.401 1.00 0.00 O ATOM 0 H TYR A 10 3.019 -7.494 -8.887 1.00 0.00 H new ATOM 0 HA TYR A 10 1.861 -5.208 -10.054 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.708 -7.627 -10.778 1.00 0.00 H new ATOM 0 HB3 TYR A 10 0.651 -7.927 -9.413 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -1.697 -6.895 -9.398 1.00 0.00 H new ATOM 0 HD2 TYR A 10 0.884 -6.599 -12.783 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -3.617 -6.350 -10.831 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -1.041 -6.066 -14.197 1.00 0.00 H new ATOM 0 HH TYR A 10 -3.214 -5.751 -14.323 1.00 0.00 H new ATOM 146 N ALA A 11 0.361 -6.405 -7.343 1.00 0.00 N ATOM 147 CA ALA A 11 -0.561 -6.088 -6.264 1.00 0.00 C ATOM 148 C ALA A 11 -0.045 -4.941 -5.435 1.00 0.00 C ATOM 149 O ALA A 11 -0.804 -4.056 -5.081 1.00 0.00 O ATOM 150 CB ALA A 11 -0.825 -7.305 -5.395 1.00 0.00 C ATOM 0 H ALA A 11 0.737 -7.353 -7.306 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.507 -5.784 -6.712 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -1.518 -7.039 -4.597 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.260 -8.099 -6.003 1.00 0.00 H new ATOM 0 HB3 ALA A 11 0.113 -7.653 -4.961 1.00 0.00 H new ATOM 156 N ALA A 12 1.254 -4.939 -5.169 1.00 0.00 N ATOM 157 CA ALA A 12 1.874 -3.876 -4.400 1.00 0.00 C ATOM 158 C ALA A 12 1.731 -2.537 -5.098 1.00 0.00 C ATOM 159 O ALA A 12 1.407 -1.546 -4.469 1.00 0.00 O ATOM 160 CB ALA A 12 3.332 -4.174 -4.147 1.00 0.00 C ATOM 0 H ALA A 12 1.899 -5.667 -5.477 1.00 0.00 H new ATOM 0 HA ALA A 12 1.357 -3.821 -3.442 1.00 0.00 H new ATOM 0 HB1 ALA A 12 3.774 -3.363 -3.569 1.00 0.00 H new ATOM 0 HB2 ALA A 12 3.421 -5.107 -3.590 1.00 0.00 H new ATOM 0 HB3 ALA A 12 3.855 -4.268 -5.099 1.00 0.00 H new ATOM 166 N LYS A 13 1.926 -2.525 -6.412 1.00 0.00 N ATOM 167 CA LYS A 13 1.836 -1.290 -7.180 1.00 0.00 C ATOM 168 C LYS A 13 0.389 -0.817 -7.220 1.00 0.00 C ATOM 169 O LYS A 13 0.105 0.385 -7.274 1.00 0.00 O ATOM 170 CB LYS A 13 2.353 -1.491 -8.593 1.00 0.00 C ATOM 171 CG LYS A 13 2.634 -0.187 -9.311 1.00 0.00 C ATOM 172 CD LYS A 13 3.168 -0.412 -10.707 1.00 0.00 C ATOM 173 CE LYS A 13 3.455 0.911 -11.395 1.00 0.00 C ATOM 174 NZ LYS A 13 4.449 1.722 -10.652 1.00 0.00 N ATOM 0 H LYS A 13 2.146 -3.353 -6.965 1.00 0.00 H new ATOM 0 HA LYS A 13 2.454 -0.535 -6.695 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.266 -2.085 -8.559 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.622 -2.063 -9.164 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.718 0.402 -9.364 1.00 0.00 H new ATOM 0 HG3 LYS A 13 3.355 0.395 -8.737 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.079 -1.008 -10.661 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.444 -0.981 -11.291 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.823 0.722 -12.404 1.00 0.00 H new ATOM 0 HE3 LYS A 13 2.528 1.476 -11.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.817 2.472 -11.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.995 2.151 -9.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.233 1.113 -10.343 1.00 0.00 H new ATOM 188 N LYS A 14 -0.515 -1.769 -7.221 1.00 0.00 N ATOM 189 CA LYS A 14 -1.926 -1.476 -7.135 1.00 0.00 C ATOM 190 C LYS A 14 -2.251 -0.829 -5.802 1.00 0.00 C ATOM 191 O LYS A 14 -2.944 0.184 -5.753 1.00 0.00 O ATOM 192 CB LYS A 14 -2.762 -2.714 -7.346 1.00 0.00 C ATOM 193 CG LYS A 14 -2.701 -3.238 -8.751 1.00 0.00 C ATOM 194 CD LYS A 14 -3.821 -4.204 -9.008 1.00 0.00 C ATOM 195 CE LYS A 14 -5.180 -3.513 -9.113 1.00 0.00 C ATOM 196 NZ LYS A 14 -5.265 -2.642 -10.303 1.00 0.00 N ATOM 0 H LYS A 14 -0.294 -2.763 -7.281 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.171 -0.775 -7.933 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.426 -3.492 -6.660 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.799 -2.492 -7.093 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -2.761 -2.409 -9.456 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.744 -3.731 -8.919 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.622 -4.748 -9.931 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.853 -4.940 -8.205 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -5.967 -4.265 -9.157 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -5.356 -2.920 -8.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -6.259 -2.395 -10.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -4.717 -1.774 -10.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -4.879 -3.143 -11.128 1.00 0.00 H new ATOM 210 N VAL A 15 -1.737 -1.423 -4.723 1.00 0.00 N ATOM 211 CA VAL A 15 -1.860 -0.847 -3.382 1.00 0.00 C ATOM 212 C VAL A 15 -1.306 0.581 -3.379 1.00 0.00 C ATOM 213 O VAL A 15 -1.953 1.493 -2.865 1.00 0.00 O ATOM 214 CB VAL A 15 -1.096 -1.674 -2.307 1.00 0.00 C ATOM 215 CG1 VAL A 15 -1.239 -1.043 -0.926 1.00 0.00 C ATOM 216 CG2 VAL A 15 -1.572 -3.115 -2.273 1.00 0.00 C ATOM 0 H VAL A 15 -1.229 -2.307 -4.752 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.920 -0.856 -3.129 1.00 0.00 H new ATOM 0 HB VAL A 15 -0.042 -1.669 -2.586 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.696 -1.641 -0.195 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.831 -0.033 -0.944 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -2.293 -1.004 -0.651 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -1.018 -3.663 -1.511 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.636 -3.141 -2.037 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.405 -3.576 -3.246 1.00 0.00 H new ATOM 226 N ILE A 16 -0.119 0.757 -3.986 1.00 0.00 N ATOM 227 CA ILE A 16 0.539 2.067 -4.098 1.00 0.00 C ATOM 228 C ILE A 16 -0.382 3.076 -4.756 1.00 0.00 C ATOM 229 O ILE A 16 -0.554 4.186 -4.251 1.00 0.00 O ATOM 230 CB ILE A 16 1.877 1.990 -4.902 1.00 0.00 C ATOM 231 CG1 ILE A 16 2.904 1.119 -4.174 1.00 0.00 C ATOM 232 CG2 ILE A 16 2.456 3.385 -5.169 1.00 0.00 C ATOM 233 CD1 ILE A 16 3.312 1.641 -2.812 1.00 0.00 C ATOM 0 H ILE A 16 0.409 -0.005 -4.412 1.00 0.00 H new ATOM 0 HA ILE A 16 0.771 2.387 -3.082 1.00 0.00 H new ATOM 0 HB ILE A 16 1.650 1.530 -5.864 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.494 0.116 -4.058 1.00 0.00 H new ATOM 0 HG13 ILE A 16 3.794 1.030 -4.797 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.386 3.292 -5.730 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.741 3.971 -5.746 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.653 3.885 -4.221 1.00 0.00 H new ATOM 0 HD11 ILE A 16 4.041 0.964 -2.367 1.00 0.00 H new ATOM 0 HD12 ILE A 16 3.754 2.632 -2.919 1.00 0.00 H new ATOM 0 HD13 ILE A 16 2.435 1.703 -2.168 1.00 0.00 H new ATOM 245 N ASP A 17 -0.987 2.677 -5.863 1.00 0.00 N ATOM 246 CA ASP A 17 -1.919 3.536 -6.581 1.00 0.00 C ATOM 247 C ASP A 17 -3.043 3.960 -5.668 1.00 0.00 C ATOM 248 O ASP A 17 -3.303 5.140 -5.502 1.00 0.00 O ATOM 249 CB ASP A 17 -2.502 2.823 -7.807 1.00 0.00 C ATOM 250 CG ASP A 17 -3.488 3.689 -8.586 1.00 0.00 C ATOM 251 OD1 ASP A 17 -3.050 4.421 -9.508 1.00 0.00 O ATOM 252 OD2 ASP A 17 -4.712 3.629 -8.314 1.00 0.00 O ATOM 0 H ASP A 17 -0.849 1.759 -6.287 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.368 4.414 -6.920 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -1.688 2.524 -8.468 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -3.003 1.910 -7.486 1.00 0.00 H new ATOM 257 N ILE A 18 -3.648 3.005 -5.023 1.00 0.00 N ATOM 258 CA ILE A 18 -4.796 3.257 -4.170 1.00 0.00 C ATOM 259 C ILE A 18 -4.434 4.129 -2.952 1.00 0.00 C ATOM 260 O ILE A 18 -5.082 5.147 -2.713 1.00 0.00 O ATOM 261 CB ILE A 18 -5.444 1.944 -3.694 1.00 0.00 C ATOM 262 CG1 ILE A 18 -5.817 1.072 -4.892 1.00 0.00 C ATOM 263 CG2 ILE A 18 -6.685 2.244 -2.862 1.00 0.00 C ATOM 264 CD1 ILE A 18 -6.217 -0.338 -4.525 1.00 0.00 C ATOM 0 H ILE A 18 -3.367 2.026 -5.067 1.00 0.00 H new ATOM 0 HA ILE A 18 -5.515 3.805 -4.779 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.725 1.404 -3.077 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -6.640 1.544 -5.430 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.970 1.032 -5.577 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -7.136 1.309 -2.530 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -6.405 2.840 -1.993 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -7.403 2.798 -3.466 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -6.467 -0.892 -5.430 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.389 -0.830 -4.015 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -7.084 -0.310 -3.865 1.00 0.00 H new ATOM 276 N ILE A 19 -3.410 3.740 -2.200 1.00 0.00 N ATOM 277 CA ILE A 19 -2.996 4.513 -1.009 1.00 0.00 C ATOM 278 C ILE A 19 -2.559 5.944 -1.367 1.00 0.00 C ATOM 279 O ILE A 19 -2.643 6.854 -0.532 1.00 0.00 O ATOM 280 CB ILE A 19 -1.852 3.835 -0.192 1.00 0.00 C ATOM 281 CG1 ILE A 19 -0.575 3.714 -1.040 1.00 0.00 C ATOM 282 CG2 ILE A 19 -2.297 2.472 0.337 1.00 0.00 C ATOM 283 CD1 ILE A 19 0.619 3.151 -0.313 1.00 0.00 C ATOM 0 H ILE A 19 -2.850 2.907 -2.381 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.889 4.546 -0.385 1.00 0.00 H new ATOM 0 HB ILE A 19 -1.624 4.467 0.667 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.788 3.082 -1.903 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.316 4.701 -1.424 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.484 2.018 0.903 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.164 2.599 0.985 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.561 1.826 -0.500 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.470 3.104 -0.993 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.865 3.792 0.533 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.387 2.149 0.047 1.00 0.00 H new ATOM 295 N ASN A 20 -2.087 6.134 -2.589 1.00 0.00 N ATOM 296 CA ASN A 20 -1.618 7.438 -3.027 1.00 0.00 C ATOM 297 C ASN A 20 -2.791 8.274 -3.560 1.00 0.00 C ATOM 298 O ASN A 20 -2.866 9.490 -3.319 1.00 0.00 O ATOM 299 CB ASN A 20 -0.567 7.262 -4.124 1.00 0.00 C ATOM 300 CG ASN A 20 0.340 8.464 -4.317 1.00 0.00 C ATOM 301 OD1 ASN A 20 -0.024 9.606 -4.039 1.00 0.00 O ATOM 302 ND2 ASN A 20 1.525 8.207 -4.813 1.00 0.00 N ATOM 0 H ASN A 20 -2.019 5.401 -3.295 1.00 0.00 H new ATOM 0 HA ASN A 20 -1.174 7.959 -2.178 1.00 0.00 H new ATOM 0 HB2 ASN A 20 0.046 6.393 -3.887 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -1.073 7.048 -5.065 1.00 0.00 H new ATOM 0 HD21 ASN A 20 2.183 8.968 -4.982 1.00 0.00 H new ATOM 0 HD22 ASN A 20 1.789 7.246 -5.030 1.00 0.00 H new ATOM 309 N THR A 21 -3.714 7.623 -4.251 1.00 0.00 N ATOM 310 CA THR A 21 -4.867 8.301 -4.826 1.00 0.00 C ATOM 311 C THR A 21 -5.911 8.644 -3.761 1.00 0.00 C ATOM 312 O THR A 21 -6.324 9.805 -3.632 1.00 0.00 O ATOM 313 CB THR A 21 -5.536 7.450 -5.950 1.00 0.00 C ATOM 314 OG1 THR A 21 -5.798 6.126 -5.465 1.00 0.00 O ATOM 315 CG2 THR A 21 -4.646 7.330 -7.161 1.00 0.00 C ATOM 0 H THR A 21 -3.687 6.619 -4.428 1.00 0.00 H new ATOM 0 HA THR A 21 -4.492 9.227 -5.262 1.00 0.00 H new ATOM 0 HB THR A 21 -6.460 7.955 -6.232 1.00 0.00 H new ATOM 0 HG1 THR A 21 -4.973 5.597 -5.496 1.00 0.00 H new ATOM 0 HG21 THR A 21 -5.146 6.731 -7.922 1.00 0.00 H new ATOM 0 HG22 THR A 21 -4.438 8.323 -7.560 1.00 0.00 H new ATOM 0 HG23 THR A 21 -3.709 6.849 -6.878 1.00 0.00 H new ATOM 323 N GLY A 22 -6.292 7.638 -2.987 1.00 0.00 N ATOM 324 CA GLY A 22 -7.342 7.764 -2.006 1.00 0.00 C ATOM 325 C GLY A 22 -7.031 8.743 -0.902 1.00 0.00 C ATOM 326 O GLY A 22 -5.858 8.961 -0.546 1.00 0.00 O ATOM 0 H GLY A 22 -5.874 6.708 -3.028 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -8.259 8.075 -2.507 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.535 6.785 -1.567 1.00 0.00 H new ATOM 330 N SER A 23 -8.063 9.310 -0.356 1.00 0.00 N ATOM 331 CA SER A 23 -7.942 10.282 0.685 1.00 0.00 C ATOM 332 C SER A 23 -8.144 9.643 2.058 1.00 0.00 C ATOM 333 O SER A 23 -7.177 9.413 2.804 1.00 0.00 O ATOM 334 CB SER A 23 -8.967 11.386 0.452 1.00 0.00 C ATOM 335 OG SER A 23 -8.707 12.083 -0.764 1.00 0.00 O ATOM 0 H SER A 23 -9.026 9.107 -0.625 1.00 0.00 H new ATOM 0 HA SER A 23 -6.937 10.705 0.665 1.00 0.00 H new ATOM 0 HB2 SER A 23 -9.968 10.956 0.421 1.00 0.00 H new ATOM 0 HB3 SER A 23 -8.947 12.086 1.287 1.00 0.00 H new ATOM 0 HG SER A 23 -9.380 12.784 -0.890 1.00 0.00 H new ATOM 341 N ALA A 24 -9.388 9.329 2.366 1.00 0.00 N ATOM 342 CA ALA A 24 -9.752 8.752 3.645 1.00 0.00 C ATOM 343 C ALA A 24 -9.199 7.352 3.790 1.00 0.00 C ATOM 344 O ALA A 24 -9.341 6.527 2.881 1.00 0.00 O ATOM 345 CB ALA A 24 -11.260 8.743 3.822 1.00 0.00 C ATOM 0 H ALA A 24 -10.177 9.468 1.734 1.00 0.00 H new ATOM 0 HA ALA A 24 -9.313 9.374 4.425 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -11.510 8.306 4.789 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -11.638 9.764 3.777 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -11.716 8.152 3.028 1.00 0.00 H new ATOM 351 N VAL A 25 -8.598 7.083 4.939 1.00 0.00 N ATOM 352 CA VAL A 25 -7.977 5.799 5.236 1.00 0.00 C ATOM 353 C VAL A 25 -8.985 4.673 5.080 1.00 0.00 C ATOM 354 O VAL A 25 -8.706 3.685 4.414 1.00 0.00 O ATOM 355 CB VAL A 25 -7.353 5.765 6.669 1.00 0.00 C ATOM 356 CG1 VAL A 25 -6.703 4.421 6.962 1.00 0.00 C ATOM 357 CG2 VAL A 25 -6.335 6.874 6.846 1.00 0.00 C ATOM 0 H VAL A 25 -8.526 7.757 5.701 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.167 5.660 4.520 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.168 5.916 7.377 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -6.280 4.433 7.966 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.452 3.632 6.893 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -5.911 4.234 6.237 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.917 6.827 7.851 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.536 6.754 6.115 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -6.819 7.839 6.699 1.00 0.00 H new ATOM 367 N ALA A 26 -10.171 4.869 5.634 1.00 0.00 N ATOM 368 CA ALA A 26 -11.249 3.884 5.567 1.00 0.00 C ATOM 369 C ALA A 26 -11.614 3.557 4.117 1.00 0.00 C ATOM 370 O ALA A 26 -11.870 2.394 3.771 1.00 0.00 O ATOM 371 CB ALA A 26 -12.469 4.390 6.319 1.00 0.00 C ATOM 0 H ALA A 26 -10.418 5.717 6.145 1.00 0.00 H new ATOM 0 HA ALA A 26 -10.897 2.966 6.038 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -13.265 3.648 6.262 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -12.207 4.562 7.363 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -12.811 5.324 5.872 1.00 0.00 H new ATOM 377 N THR A 27 -11.564 4.566 3.277 1.00 0.00 N ATOM 378 CA THR A 27 -11.900 4.423 1.882 1.00 0.00 C ATOM 379 C THR A 27 -10.800 3.627 1.168 1.00 0.00 C ATOM 380 O THR A 27 -11.076 2.723 0.374 1.00 0.00 O ATOM 381 CB THR A 27 -12.088 5.825 1.249 1.00 0.00 C ATOM 382 OG1 THR A 27 -13.125 6.523 1.973 1.00 0.00 O ATOM 383 CG2 THR A 27 -12.471 5.737 -0.225 1.00 0.00 C ATOM 0 H THR A 27 -11.288 5.511 3.545 1.00 0.00 H new ATOM 0 HA THR A 27 -12.836 3.875 1.776 1.00 0.00 H new ATOM 0 HB THR A 27 -11.141 6.361 1.312 1.00 0.00 H new ATOM 0 HG1 THR A 27 -13.253 7.413 1.584 1.00 0.00 H new ATOM 0 HG21 THR A 27 -12.593 6.742 -0.630 1.00 0.00 H new ATOM 0 HG22 THR A 27 -11.686 5.217 -0.774 1.00 0.00 H new ATOM 0 HG23 THR A 27 -13.408 5.189 -0.325 1.00 0.00 H new ATOM 391 N ILE A 28 -9.567 3.923 1.522 1.00 0.00 N ATOM 392 CA ILE A 28 -8.419 3.262 0.959 1.00 0.00 C ATOM 393 C ILE A 28 -8.402 1.802 1.351 1.00 0.00 C ATOM 394 O ILE A 28 -8.289 0.945 0.486 1.00 0.00 O ATOM 395 CB ILE A 28 -7.128 3.958 1.416 1.00 0.00 C ATOM 396 CG1 ILE A 28 -7.120 5.388 0.909 1.00 0.00 C ATOM 397 CG2 ILE A 28 -5.887 3.212 0.942 1.00 0.00 C ATOM 398 CD1 ILE A 28 -6.044 6.228 1.511 1.00 0.00 C ATOM 0 H ILE A 28 -9.336 4.636 2.214 1.00 0.00 H new ATOM 0 HA ILE A 28 -8.481 3.323 -0.128 1.00 0.00 H new ATOM 0 HB ILE A 28 -7.104 3.958 2.506 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -7.000 5.380 -0.174 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -8.087 5.845 1.119 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.995 3.735 1.285 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.893 2.201 1.348 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -5.884 3.166 -0.147 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -6.099 7.237 1.102 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -6.175 6.267 2.592 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.071 5.795 1.278 1.00 0.00 H new ATOM 410 N ILE A 29 -8.570 1.523 2.647 1.00 0.00 N ATOM 411 CA ILE A 29 -8.569 0.147 3.157 1.00 0.00 C ATOM 412 C ILE A 29 -9.570 -0.704 2.390 1.00 0.00 C ATOM 413 O ILE A 29 -9.251 -1.810 1.968 1.00 0.00 O ATOM 414 CB ILE A 29 -8.937 0.091 4.657 1.00 0.00 C ATOM 415 CG1 ILE A 29 -7.987 0.942 5.473 1.00 0.00 C ATOM 416 CG2 ILE A 29 -8.891 -1.350 5.166 1.00 0.00 C ATOM 417 CD1 ILE A 29 -8.465 1.161 6.873 1.00 0.00 C ATOM 0 H ILE A 29 -8.709 2.234 3.365 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.558 -0.239 3.023 1.00 0.00 H new ATOM 0 HB ILE A 29 -9.949 0.480 4.769 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -7.008 0.464 5.499 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -7.858 1.907 4.983 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -9.153 -1.371 6.224 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -9.601 -1.957 4.604 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -7.886 -1.751 5.033 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -7.745 1.777 7.411 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -9.431 1.666 6.853 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -8.568 0.200 7.377 1.00 0.00 H new ATOM 429 N ALA A 30 -10.748 -0.145 2.148 1.00 0.00 N ATOM 430 CA ALA A 30 -11.816 -0.849 1.468 1.00 0.00 C ATOM 431 C ALA A 30 -11.412 -1.204 0.047 1.00 0.00 C ATOM 432 O ALA A 30 -11.677 -2.318 -0.434 1.00 0.00 O ATOM 433 CB ALA A 30 -13.073 -0.005 1.454 1.00 0.00 C ATOM 0 H ALA A 30 -10.986 0.809 2.419 1.00 0.00 H new ATOM 0 HA ALA A 30 -12.013 -1.774 2.010 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -13.868 -0.545 0.940 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -13.381 0.206 2.478 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -12.876 0.932 0.934 1.00 0.00 H new ATOM 439 N LEU A 31 -10.733 -0.284 -0.604 1.00 0.00 N ATOM 440 CA LEU A 31 -10.319 -0.483 -1.973 1.00 0.00 C ATOM 441 C LEU A 31 -9.160 -1.466 -2.048 1.00 0.00 C ATOM 442 O LEU A 31 -9.172 -2.404 -2.856 1.00 0.00 O ATOM 443 CB LEU A 31 -9.928 0.843 -2.599 1.00 0.00 C ATOM 444 CG LEU A 31 -11.012 1.919 -2.638 1.00 0.00 C ATOM 445 CD1 LEU A 31 -10.482 3.184 -3.278 1.00 0.00 C ATOM 446 CD2 LEU A 31 -12.253 1.420 -3.363 1.00 0.00 C ATOM 0 H LEU A 31 -10.456 0.612 -0.204 1.00 0.00 H new ATOM 0 HA LEU A 31 -11.158 -0.901 -2.530 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -9.072 1.240 -2.053 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -9.596 0.655 -3.620 1.00 0.00 H new ATOM 0 HG LEU A 31 -11.298 2.150 -1.612 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -11.268 3.939 -3.297 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -9.635 3.556 -2.701 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -10.161 2.969 -4.297 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -13.008 2.206 -3.376 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -11.993 1.150 -4.387 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -12.649 0.545 -2.847 1.00 0.00 H new ATOM 458 N VAL A 32 -8.186 -1.286 -1.171 1.00 0.00 N ATOM 459 CA VAL A 32 -7.024 -2.150 -1.159 1.00 0.00 C ATOM 460 C VAL A 32 -7.453 -3.583 -0.807 1.00 0.00 C ATOM 461 O VAL A 32 -6.998 -4.542 -1.421 1.00 0.00 O ATOM 462 CB VAL A 32 -5.917 -1.671 -0.175 1.00 0.00 C ATOM 463 CG1 VAL A 32 -4.658 -2.448 -0.391 1.00 0.00 C ATOM 464 CG2 VAL A 32 -5.612 -0.205 -0.342 1.00 0.00 C ATOM 0 H VAL A 32 -8.179 -0.552 -0.463 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.590 -2.117 -2.158 1.00 0.00 H new ATOM 0 HB VAL A 32 -6.296 -1.836 0.834 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -3.893 -2.102 0.304 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -4.850 -3.507 -0.221 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -4.311 -2.302 -1.414 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -4.834 0.088 0.364 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.268 -0.019 -1.359 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -6.513 0.378 -0.151 1.00 0.00 H new ATOM 474 N THR A 33 -8.385 -3.703 0.136 1.00 0.00 N ATOM 475 CA THR A 33 -8.922 -4.995 0.540 1.00 0.00 C ATOM 476 C THR A 33 -9.647 -5.675 -0.636 1.00 0.00 C ATOM 477 O THR A 33 -9.589 -6.892 -0.794 1.00 0.00 O ATOM 478 CB THR A 33 -9.877 -4.848 1.757 1.00 0.00 C ATOM 479 OG1 THR A 33 -9.158 -4.296 2.866 1.00 0.00 O ATOM 480 CG2 THR A 33 -10.475 -6.185 2.169 1.00 0.00 C ATOM 0 H THR A 33 -8.786 -2.910 0.638 1.00 0.00 H new ATOM 0 HA THR A 33 -8.085 -5.626 0.841 1.00 0.00 H new ATOM 0 HB THR A 33 -10.691 -4.186 1.462 1.00 0.00 H new ATOM 0 HG1 THR A 33 -9.063 -3.328 2.745 1.00 0.00 H new ATOM 0 HG21 THR A 33 -11.137 -6.040 3.023 1.00 0.00 H new ATOM 0 HG22 THR A 33 -11.042 -6.602 1.337 1.00 0.00 H new ATOM 0 HG23 THR A 33 -9.675 -6.873 2.443 1.00 0.00 H new ATOM 488 N ALA A 34 -10.274 -4.884 -1.487 1.00 0.00 N ATOM 489 CA ALA A 34 -10.964 -5.422 -2.650 1.00 0.00 C ATOM 490 C ALA A 34 -9.960 -6.028 -3.628 1.00 0.00 C ATOM 491 O ALA A 34 -10.239 -7.021 -4.294 1.00 0.00 O ATOM 492 CB ALA A 34 -11.785 -4.338 -3.329 1.00 0.00 C ATOM 0 H ALA A 34 -10.321 -3.869 -1.397 1.00 0.00 H new ATOM 0 HA ALA A 34 -11.642 -6.209 -2.320 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -12.294 -4.757 -4.197 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -12.523 -3.948 -2.628 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -11.127 -3.530 -3.650 1.00 0.00 H new ATOM 498 N VAL A 35 -8.776 -5.454 -3.658 1.00 0.00 N ATOM 499 CA VAL A 35 -7.720 -5.893 -4.547 1.00 0.00 C ATOM 500 C VAL A 35 -6.931 -7.073 -3.955 1.00 0.00 C ATOM 501 O VAL A 35 -6.750 -8.112 -4.606 1.00 0.00 O ATOM 502 CB VAL A 35 -6.757 -4.708 -4.866 1.00 0.00 C ATOM 503 CG1 VAL A 35 -5.555 -5.152 -5.687 1.00 0.00 C ATOM 504 CG2 VAL A 35 -7.508 -3.611 -5.602 1.00 0.00 C ATOM 0 H VAL A 35 -8.517 -4.666 -3.064 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.187 -6.237 -5.470 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.384 -4.326 -3.916 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.913 -4.294 -5.885 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.994 -5.905 -5.133 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.896 -5.576 -6.632 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -6.828 -2.788 -5.821 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -7.909 -4.007 -6.535 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -8.327 -3.250 -4.979 1.00 0.00 H new ATOM 514 N VAL A 36 -6.499 -6.933 -2.722 1.00 0.00 N ATOM 515 CA VAL A 36 -5.616 -7.939 -2.111 1.00 0.00 C ATOM 516 C VAL A 36 -6.360 -9.033 -1.345 1.00 0.00 C ATOM 517 O VAL A 36 -5.748 -9.991 -0.867 1.00 0.00 O ATOM 518 CB VAL A 36 -4.541 -7.310 -1.192 1.00 0.00 C ATOM 519 CG1 VAL A 36 -3.681 -6.319 -1.963 1.00 0.00 C ATOM 520 CG2 VAL A 36 -5.162 -6.664 0.046 1.00 0.00 C ATOM 0 H VAL A 36 -6.733 -6.146 -2.116 1.00 0.00 H new ATOM 0 HA VAL A 36 -5.124 -8.408 -2.963 1.00 0.00 H new ATOM 0 HB VAL A 36 -3.895 -8.115 -0.842 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.933 -5.890 -1.296 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -3.182 -6.833 -2.785 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -4.311 -5.523 -2.361 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -4.375 -6.234 0.666 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -5.852 -5.878 -0.261 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -5.702 -7.418 0.618 1.00 0.00 H new ATOM 551 N LEU A 40 -4.280 -8.046 4.867 1.00 0.00 N ATOM 552 CA LEU A 40 -2.976 -7.549 4.570 1.00 0.00 C ATOM 553 C LEU A 40 -2.875 -6.055 4.868 1.00 0.00 C ATOM 554 O LEU A 40 -2.404 -5.652 5.941 1.00 0.00 O ATOM 555 CB LEU A 40 -2.640 -7.858 3.114 1.00 0.00 C ATOM 556 CG LEU A 40 -2.558 -9.347 2.745 1.00 0.00 C ATOM 557 CD1 LEU A 40 -2.322 -9.510 1.262 1.00 0.00 C ATOM 558 CD2 LEU A 40 -1.459 -10.051 3.535 1.00 0.00 C ATOM 0 HA LEU A 40 -2.247 -8.046 5.210 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.392 -7.388 2.480 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.684 -7.391 2.875 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.510 -9.810 3.004 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.266 -10.571 1.017 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.143 -9.053 0.710 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.386 -9.024 0.987 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.425 -11.103 3.253 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.498 -9.585 3.316 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.668 -9.968 4.602 1.00 0.00 H new ATOM 570 N ILE A 41 -3.362 -5.240 3.970 1.00 0.00 N ATOM 571 CA ILE A 41 -3.276 -3.826 4.150 1.00 0.00 C ATOM 572 C ILE A 41 -4.430 -3.352 5.004 1.00 0.00 C ATOM 573 O ILE A 41 -5.556 -3.178 4.525 1.00 0.00 O ATOM 574 CB ILE A 41 -3.205 -3.006 2.814 1.00 0.00 C ATOM 575 CG1 ILE A 41 -2.010 -3.430 1.939 1.00 0.00 C ATOM 576 CG2 ILE A 41 -3.110 -1.513 3.104 1.00 0.00 C ATOM 577 CD1 ILE A 41 -2.208 -4.707 1.154 1.00 0.00 C ATOM 0 H ILE A 41 -3.821 -5.537 3.109 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.327 -3.638 4.653 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.123 -3.217 2.265 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.788 -2.624 1.240 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.135 -3.548 2.579 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.062 -0.962 2.165 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.988 -1.195 3.666 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -2.212 -1.312 3.689 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.312 -4.918 0.571 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.397 -5.531 1.842 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.059 -4.593 0.482 1.00 0.00 H new ATOM 589 N THR A 42 -4.157 -3.239 6.263 1.00 0.00 N ATOM 590 CA THR A 42 -5.098 -2.756 7.221 1.00 0.00 C ATOM 591 C THR A 42 -4.840 -1.267 7.458 1.00 0.00 C ATOM 592 O THR A 42 -3.957 -0.689 6.804 1.00 0.00 O ATOM 593 CB THR A 42 -4.915 -3.548 8.525 1.00 0.00 C ATOM 594 OG1 THR A 42 -3.509 -3.579 8.863 1.00 0.00 O ATOM 595 CG2 THR A 42 -5.433 -4.974 8.372 1.00 0.00 C ATOM 0 H THR A 42 -3.252 -3.486 6.664 1.00 0.00 H new ATOM 0 HA THR A 42 -6.119 -2.885 6.863 1.00 0.00 H new ATOM 0 HB THR A 42 -5.483 -3.060 9.317 1.00 0.00 H new ATOM 0 HG1 THR A 42 -3.384 -4.081 9.695 1.00 0.00 H new ATOM 0 HG21 THR A 42 -5.292 -5.515 9.308 1.00 0.00 H new ATOM 0 HG22 THR A 42 -6.494 -4.951 8.122 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.884 -5.477 7.576 1.00 0.00 H new ATOM 603 N ALA A 43 -5.579 -0.652 8.383 1.00 0.00 N ATOM 604 CA ALA A 43 -5.424 0.776 8.709 1.00 0.00 C ATOM 605 C ALA A 43 -3.984 1.100 9.062 1.00 0.00 C ATOM 606 O ALA A 43 -3.425 2.110 8.604 1.00 0.00 O ATOM 607 CB ALA A 43 -6.349 1.163 9.858 1.00 0.00 C ATOM 0 H ALA A 43 -6.301 -1.123 8.928 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.697 1.355 7.827 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.222 2.221 10.087 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.384 0.975 9.571 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.103 0.570 10.739 1.00 0.00 H new ATOM 613 N GLY A 44 -3.376 0.205 9.826 1.00 0.00 N ATOM 614 CA GLY A 44 -2.006 0.359 10.231 1.00 0.00 C ATOM 615 C GLY A 44 -1.067 0.335 9.054 1.00 0.00 C ATOM 616 O GLY A 44 -0.116 1.115 8.995 1.00 0.00 O ATOM 0 H GLY A 44 -3.825 -0.641 10.176 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -1.890 1.300 10.769 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -1.740 -0.439 10.924 1.00 0.00 H new ATOM 620 N ILE A 45 -1.357 -0.507 8.081 1.00 0.00 N ATOM 621 CA ILE A 45 -0.505 -0.630 6.926 1.00 0.00 C ATOM 622 C ILE A 45 -0.674 0.578 6.013 1.00 0.00 C ATOM 623 O ILE A 45 0.308 1.098 5.504 1.00 0.00 O ATOM 624 CB ILE A 45 -0.758 -1.957 6.162 1.00 0.00 C ATOM 625 CG1 ILE A 45 -0.543 -3.155 7.102 1.00 0.00 C ATOM 626 CG2 ILE A 45 0.144 -2.079 4.934 1.00 0.00 C ATOM 627 CD1 ILE A 45 0.848 -3.242 7.714 1.00 0.00 C ATOM 0 H ILE A 45 -2.177 -1.114 8.072 1.00 0.00 H new ATOM 0 HA ILE A 45 0.528 -0.658 7.272 1.00 0.00 H new ATOM 0 HB ILE A 45 -1.791 -1.953 5.815 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.277 -3.104 7.907 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.740 -4.073 6.549 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.061 -3.020 4.424 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.051 -1.249 4.255 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.188 -2.055 5.246 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.907 -4.117 8.362 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.590 -3.328 6.920 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.045 -2.344 8.299 1.00 0.00 H new ATOM 639 N VAL A 46 -1.914 1.049 5.857 1.00 0.00 N ATOM 640 CA VAL A 46 -2.197 2.238 5.041 1.00 0.00 C ATOM 641 C VAL A 46 -1.420 3.447 5.581 1.00 0.00 C ATOM 642 O VAL A 46 -0.712 4.128 4.832 1.00 0.00 O ATOM 643 CB VAL A 46 -3.722 2.588 5.009 1.00 0.00 C ATOM 644 CG1 VAL A 46 -3.984 3.852 4.193 1.00 0.00 C ATOM 645 CG2 VAL A 46 -4.530 1.441 4.438 1.00 0.00 C ATOM 0 H VAL A 46 -2.739 0.627 6.284 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.881 2.006 4.024 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.033 2.765 6.038 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -5.052 4.068 4.190 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.445 4.690 4.636 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.641 3.702 3.169 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.586 1.710 4.427 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.198 1.233 3.421 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.388 0.554 5.055 1.00 0.00 H new ATOM 655 N ALA A 47 -1.523 3.670 6.888 1.00 0.00 N ATOM 656 CA ALA A 47 -0.849 4.789 7.546 1.00 0.00 C ATOM 657 C ALA A 47 0.670 4.659 7.440 1.00 0.00 C ATOM 658 O ALA A 47 1.386 5.655 7.238 1.00 0.00 O ATOM 659 CB ALA A 47 -1.278 4.886 9.004 1.00 0.00 C ATOM 0 H ALA A 47 -2.072 3.086 7.519 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.142 5.706 7.035 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.767 5.724 9.479 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -2.356 5.041 9.057 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.019 3.963 9.522 1.00 0.00 H new ATOM 665 N THR A 48 1.155 3.436 7.558 1.00 0.00 N ATOM 666 CA THR A 48 2.567 3.171 7.446 1.00 0.00 C ATOM 667 C THR A 48 3.053 3.420 6.018 1.00 0.00 C ATOM 668 O THR A 48 3.999 4.175 5.807 1.00 0.00 O ATOM 669 CB THR A 48 2.907 1.731 7.901 1.00 0.00 C ATOM 670 OG1 THR A 48 2.474 1.554 9.268 1.00 0.00 O ATOM 671 CG2 THR A 48 4.403 1.467 7.804 1.00 0.00 C ATOM 0 H THR A 48 0.583 2.610 7.732 1.00 0.00 H new ATOM 0 HA THR A 48 3.089 3.860 8.110 1.00 0.00 H new ATOM 0 HB THR A 48 2.392 1.027 7.247 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.506 1.399 9.287 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.615 0.448 8.129 1.00 0.00 H new ATOM 0 HG22 THR A 48 4.728 1.593 6.771 1.00 0.00 H new ATOM 0 HG23 THR A 48 4.939 2.170 8.442 1.00 0.00 H new ATOM 679 N ALA A 49 2.358 2.841 5.052 1.00 0.00 N ATOM 680 CA ALA A 49 2.716 2.959 3.654 1.00 0.00 C ATOM 681 C ALA A 49 2.711 4.417 3.203 1.00 0.00 C ATOM 682 O ALA A 49 3.624 4.849 2.510 1.00 0.00 O ATOM 683 CB ALA A 49 1.803 2.102 2.801 1.00 0.00 C ATOM 0 H ALA A 49 1.527 2.274 5.220 1.00 0.00 H new ATOM 0 HA ALA A 49 3.734 2.591 3.526 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.085 2.202 1.753 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.895 1.059 3.104 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.771 2.428 2.932 1.00 0.00 H new ATOM 689 N LYS A 50 1.709 5.183 3.650 1.00 0.00 N ATOM 690 CA LYS A 50 1.649 6.618 3.356 1.00 0.00 C ATOM 691 C LYS A 50 2.870 7.346 3.892 1.00 0.00 C ATOM 692 O LYS A 50 3.440 8.202 3.224 1.00 0.00 O ATOM 693 CB LYS A 50 0.393 7.266 3.925 1.00 0.00 C ATOM 694 CG LYS A 50 -0.871 7.015 3.134 1.00 0.00 C ATOM 695 CD LYS A 50 -2.042 7.717 3.792 1.00 0.00 C ATOM 696 CE LYS A 50 -3.272 7.724 2.910 1.00 0.00 C ATOM 697 NZ LYS A 50 -3.063 8.507 1.663 1.00 0.00 N ATOM 0 H LYS A 50 0.933 4.835 4.213 1.00 0.00 H new ATOM 0 HA LYS A 50 1.625 6.705 2.270 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.245 6.904 4.942 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.555 8.342 3.990 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.748 7.375 2.112 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.065 5.944 3.074 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.276 7.224 4.735 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.762 8.743 4.030 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -3.539 6.699 2.653 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -4.112 8.143 3.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -3.831 9.200 1.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -2.152 9.005 1.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -3.060 7.864 0.846 1.00 0.00 H new ATOM 711 N SER A 51 3.291 6.983 5.072 1.00 0.00 N ATOM 712 CA SER A 51 4.423 7.620 5.672 1.00 0.00 C ATOM 713 C SER A 51 5.702 7.240 4.927 1.00 0.00 C ATOM 714 O SER A 51 6.554 8.095 4.660 1.00 0.00 O ATOM 715 CB SER A 51 4.493 7.260 7.145 1.00 0.00 C ATOM 716 OG SER A 51 3.283 7.631 7.802 1.00 0.00 O ATOM 0 H SER A 51 2.864 6.248 5.636 1.00 0.00 H new ATOM 0 HA SER A 51 4.316 8.702 5.598 1.00 0.00 H new ATOM 0 HB2 SER A 51 4.662 6.189 7.257 1.00 0.00 H new ATOM 0 HB3 SER A 51 5.338 7.767 7.611 1.00 0.00 H new ATOM 0 HG SER A 51 2.589 6.966 7.610 1.00 0.00 H new ATOM 722 N LEU A 52 5.796 5.979 4.528 1.00 0.00 N ATOM 723 CA LEU A 52 6.947 5.482 3.805 1.00 0.00 C ATOM 724 C LEU A 52 7.054 6.147 2.434 1.00 0.00 C ATOM 725 O LEU A 52 8.154 6.475 1.991 1.00 0.00 O ATOM 726 CB LEU A 52 6.874 3.967 3.641 1.00 0.00 C ATOM 727 CG LEU A 52 6.722 3.155 4.925 1.00 0.00 C ATOM 728 CD1 LEU A 52 6.510 1.710 4.591 1.00 0.00 C ATOM 729 CD2 LEU A 52 7.927 3.313 5.837 1.00 0.00 C ATOM 0 H LEU A 52 5.076 5.277 4.698 1.00 0.00 H new ATOM 0 HA LEU A 52 7.836 5.728 4.386 1.00 0.00 H new ATOM 0 HB2 LEU A 52 6.034 3.734 2.987 1.00 0.00 H new ATOM 0 HB3 LEU A 52 7.778 3.634 3.130 1.00 0.00 H new ATOM 0 HG LEU A 52 5.853 3.535 5.462 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.402 1.136 5.511 1.00 0.00 H new ATOM 0 HD12 LEU A 52 5.607 1.604 3.990 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.366 1.337 4.029 1.00 0.00 H new ATOM 0 HD21 LEU A 52 7.780 2.720 6.740 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.823 2.970 5.319 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.044 4.362 6.107 1.00 0.00 H new ATOM 741 N ILE A 53 5.914 6.387 1.773 1.00 0.00 N ATOM 742 CA ILE A 53 5.939 7.020 0.460 1.00 0.00 C ATOM 743 C ILE A 53 6.298 8.495 0.569 1.00 0.00 C ATOM 744 O ILE A 53 6.796 9.088 -0.388 1.00 0.00 O ATOM 745 CB ILE A 53 4.625 6.852 -0.386 1.00 0.00 C ATOM 746 CG1 ILE A 53 3.452 7.628 0.226 1.00 0.00 C ATOM 747 CG2 ILE A 53 4.266 5.383 -0.523 1.00 0.00 C ATOM 748 CD1 ILE A 53 2.163 7.566 -0.576 1.00 0.00 C ATOM 0 H ILE A 53 4.984 6.156 2.122 1.00 0.00 H new ATOM 0 HA ILE A 53 6.715 6.482 -0.085 1.00 0.00 H new ATOM 0 HB ILE A 53 4.818 7.266 -1.376 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.260 7.241 1.227 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.744 8.672 0.339 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.354 5.285 -1.111 1.00 0.00 H new ATOM 0 HG22 ILE A 53 5.078 4.855 -1.022 1.00 0.00 H new ATOM 0 HG23 ILE A 53 4.108 4.953 0.466 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.390 8.142 -0.068 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.332 7.982 -1.569 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.841 6.529 -0.667 1.00 0.00 H new ATOM 760 N LYS A 54 6.053 9.088 1.729 1.00 0.00 N ATOM 761 CA LYS A 54 6.408 10.480 1.940 1.00 0.00 C ATOM 762 C LYS A 54 7.914 10.637 2.149 1.00 0.00 C ATOM 763 O LYS A 54 8.557 11.501 1.543 1.00 0.00 O ATOM 764 CB LYS A 54 5.627 11.096 3.111 1.00 0.00 C ATOM 765 CG LYS A 54 4.126 11.222 2.868 1.00 0.00 C ATOM 766 CD LYS A 54 3.407 11.763 4.097 1.00 0.00 C ATOM 767 CE LYS A 54 1.897 11.890 3.873 1.00 0.00 C ATOM 768 NZ LYS A 54 1.554 12.855 2.800 1.00 0.00 N ATOM 0 H LYS A 54 5.615 8.631 2.529 1.00 0.00 H new ATOM 0 HA LYS A 54 6.130 11.025 1.038 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.789 10.487 4.001 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.033 12.085 3.323 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.948 11.883 2.020 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.716 10.247 2.604 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.593 11.103 4.945 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.818 12.739 4.356 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.488 10.912 3.620 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.422 12.203 4.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 0.525 13.003 2.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.031 13.761 2.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 1.865 12.478 1.882 1.00 0.00 H new ATOM 782 N LYS A 55 8.489 9.779 2.971 1.00 0.00 N ATOM 783 CA LYS A 55 9.908 9.876 3.264 1.00 0.00 C ATOM 784 C LYS A 55 10.774 9.171 2.245 1.00 0.00 C ATOM 785 O LYS A 55 11.659 9.773 1.648 1.00 0.00 O ATOM 786 CB LYS A 55 10.244 9.405 4.694 1.00 0.00 C ATOM 787 CG LYS A 55 9.527 8.150 5.153 1.00 0.00 C ATOM 788 CD LYS A 55 9.870 7.785 6.591 1.00 0.00 C ATOM 789 CE LYS A 55 9.342 8.792 7.609 1.00 0.00 C ATOM 790 NZ LYS A 55 9.740 8.433 8.991 1.00 0.00 N ATOM 0 H LYS A 55 8.003 9.016 3.443 1.00 0.00 H new ATOM 0 HA LYS A 55 10.144 10.938 3.199 1.00 0.00 H new ATOM 0 HB2 LYS A 55 11.318 9.233 4.758 1.00 0.00 H new ATOM 0 HB3 LYS A 55 10.009 10.212 5.388 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.450 8.295 5.064 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.792 7.321 4.496 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.460 6.801 6.817 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.953 7.710 6.692 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.720 9.786 7.368 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.255 8.840 7.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 9.364 9.139 9.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 9.358 7.495 9.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 10.778 8.412 9.059 1.00 0.00 H new ATOM 804 N TYR A 56 10.524 7.921 2.044 1.00 0.00 N ATOM 805 CA TYR A 56 11.363 7.109 1.197 1.00 0.00 C ATOM 806 C TYR A 56 10.871 7.126 -0.242 1.00 0.00 C ATOM 807 O TYR A 56 11.672 7.191 -1.182 1.00 0.00 O ATOM 808 CB TYR A 56 11.407 5.691 1.739 1.00 0.00 C ATOM 809 CG TYR A 56 11.692 5.619 3.223 1.00 0.00 C ATOM 810 CD1 TYR A 56 12.711 6.357 3.804 1.00 0.00 C ATOM 811 CD2 TYR A 56 10.937 4.808 4.034 1.00 0.00 C ATOM 812 CE1 TYR A 56 12.963 6.276 5.154 1.00 0.00 C ATOM 813 CE2 TYR A 56 11.185 4.709 5.378 1.00 0.00 C ATOM 814 CZ TYR A 56 12.197 5.440 5.936 1.00 0.00 C ATOM 815 OH TYR A 56 12.442 5.337 7.279 1.00 0.00 O ATOM 0 H TYR A 56 9.735 7.424 2.457 1.00 0.00 H new ATOM 0 HA TYR A 56 12.371 7.523 1.199 1.00 0.00 H new ATOM 0 HB2 TYR A 56 10.453 5.204 1.537 1.00 0.00 H new ATOM 0 HB3 TYR A 56 12.172 5.129 1.203 1.00 0.00 H new ATOM 0 HD1 TYR A 56 13.316 7.005 3.188 1.00 0.00 H new ATOM 0 HD2 TYR A 56 10.129 4.235 3.603 1.00 0.00 H new ATOM 0 HE1 TYR A 56 13.754 6.863 5.597 1.00 0.00 H new ATOM 0 HE2 TYR A 56 10.584 4.057 5.994 1.00 0.00 H new ATOM 0 HH TYR A 56 11.809 4.705 7.679 1.00 0.00 H new ATOM 825 N GLY A 57 9.574 7.056 -0.414 1.00 0.00 N ATOM 826 CA GLY A 57 8.999 7.133 -1.734 1.00 0.00 C ATOM 827 C GLY A 57 8.068 5.985 -2.033 1.00 0.00 C ATOM 828 O GLY A 57 8.026 4.994 -1.284 1.00 0.00 O ATOM 0 H GLY A 57 8.898 6.946 0.342 1.00 0.00 H new ATOM 0 HA2 GLY A 57 8.455 8.072 -1.834 1.00 0.00 H new ATOM 0 HA3 GLY A 57 9.799 7.148 -2.474 1.00 0.00 H new ATOM 832 N ALA A 58 7.322 6.112 -3.119 1.00 0.00 N ATOM 833 CA ALA A 58 6.346 5.113 -3.533 1.00 0.00 C ATOM 834 C ALA A 58 7.014 3.807 -3.900 1.00 0.00 C ATOM 835 O ALA A 58 6.515 2.728 -3.577 1.00 0.00 O ATOM 836 CB ALA A 58 5.502 5.634 -4.684 1.00 0.00 C ATOM 0 H ALA A 58 7.376 6.917 -3.743 1.00 0.00 H new ATOM 0 HA ALA A 58 5.688 4.918 -2.686 1.00 0.00 H new ATOM 0 HB1 ALA A 58 4.779 4.873 -4.979 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.974 6.534 -4.369 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.147 5.869 -5.531 1.00 0.00 H new ATOM 842 N LYS A 59 8.170 3.908 -4.527 1.00 0.00 N ATOM 843 CA LYS A 59 8.925 2.741 -4.939 1.00 0.00 C ATOM 844 C LYS A 59 9.393 1.946 -3.727 1.00 0.00 C ATOM 845 O LYS A 59 9.426 0.706 -3.757 1.00 0.00 O ATOM 846 CB LYS A 59 10.114 3.143 -5.817 1.00 0.00 C ATOM 847 CG LYS A 59 11.005 1.975 -6.211 1.00 0.00 C ATOM 848 CD LYS A 59 12.138 2.392 -7.126 1.00 0.00 C ATOM 849 CE LYS A 59 11.630 2.851 -8.484 1.00 0.00 C ATOM 850 NZ LYS A 59 10.839 1.807 -9.163 1.00 0.00 N ATOM 0 H LYS A 59 8.610 4.797 -4.764 1.00 0.00 H new ATOM 0 HA LYS A 59 8.268 2.104 -5.531 1.00 0.00 H new ATOM 0 HB2 LYS A 59 9.741 3.625 -6.721 1.00 0.00 H new ATOM 0 HB3 LYS A 59 10.713 3.883 -5.286 1.00 0.00 H new ATOM 0 HG2 LYS A 59 11.418 1.518 -5.312 1.00 0.00 H new ATOM 0 HG3 LYS A 59 10.403 1.214 -6.707 1.00 0.00 H new ATOM 0 HD2 LYS A 59 12.704 3.198 -6.659 1.00 0.00 H new ATOM 0 HD3 LYS A 59 12.824 1.556 -7.259 1.00 0.00 H new ATOM 0 HE2 LYS A 59 11.018 3.744 -8.359 1.00 0.00 H new ATOM 0 HE3 LYS A 59 12.476 3.130 -9.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 10.758 2.036 -10.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 11.311 0.887 -9.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 9.890 1.761 -8.741 1.00 0.00 H new ATOM 864 N TYR A 60 9.704 2.649 -2.653 1.00 0.00 N ATOM 865 CA TYR A 60 10.156 2.012 -1.444 1.00 0.00 C ATOM 866 C TYR A 60 9.032 1.195 -0.861 1.00 0.00 C ATOM 867 O TYR A 60 9.207 0.023 -0.517 1.00 0.00 O ATOM 868 CB TYR A 60 10.629 3.053 -0.414 1.00 0.00 C ATOM 869 CG TYR A 60 10.955 2.449 0.945 1.00 0.00 C ATOM 870 CD1 TYR A 60 9.955 2.245 1.892 1.00 0.00 C ATOM 871 CD2 TYR A 60 12.234 2.055 1.260 1.00 0.00 C ATOM 872 CE1 TYR A 60 10.220 1.669 3.103 1.00 0.00 C ATOM 873 CE2 TYR A 60 12.515 1.469 2.474 1.00 0.00 C ATOM 874 CZ TYR A 60 11.503 1.276 3.393 1.00 0.00 C ATOM 875 OH TYR A 60 11.784 0.687 4.605 1.00 0.00 O ATOM 0 H TYR A 60 9.649 3.666 -2.600 1.00 0.00 H new ATOM 0 HA TYR A 60 10.999 1.366 -1.686 1.00 0.00 H new ATOM 0 HB2 TYR A 60 11.513 3.560 -0.800 1.00 0.00 H new ATOM 0 HB3 TYR A 60 9.855 3.810 -0.291 1.00 0.00 H new ATOM 0 HD1 TYR A 60 8.944 2.550 1.664 1.00 0.00 H new ATOM 0 HD2 TYR A 60 13.029 2.207 0.545 1.00 0.00 H new ATOM 0 HE1 TYR A 60 9.429 1.525 3.824 1.00 0.00 H new ATOM 0 HE2 TYR A 60 13.524 1.161 2.706 1.00 0.00 H new ATOM 0 HH TYR A 60 12.738 0.469 4.649 1.00 0.00 H new ATOM 885 N ALA A 61 7.877 1.819 -0.759 1.00 0.00 N ATOM 886 CA ALA A 61 6.726 1.187 -0.179 1.00 0.00 C ATOM 887 C ALA A 61 6.290 0.003 -0.997 1.00 0.00 C ATOM 888 O ALA A 61 5.818 -0.961 -0.451 1.00 0.00 O ATOM 889 CB ALA A 61 5.608 2.158 -0.027 1.00 0.00 C ATOM 0 H ALA A 61 7.717 2.775 -1.077 1.00 0.00 H new ATOM 0 HA ALA A 61 7.006 0.830 0.812 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.747 1.656 0.414 1.00 0.00 H new ATOM 0 HB2 ALA A 61 5.922 2.976 0.621 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.335 2.554 -1.005 1.00 0.00 H new ATOM 895 N ALA A 62 6.471 0.084 -2.306 1.00 0.00 N ATOM 896 CA ALA A 62 6.154 -1.022 -3.197 1.00 0.00 C ATOM 897 C ALA A 62 6.958 -2.258 -2.800 1.00 0.00 C ATOM 898 O ALA A 62 6.410 -3.361 -2.676 1.00 0.00 O ATOM 899 CB ALA A 62 6.442 -0.638 -4.640 1.00 0.00 C ATOM 0 H ALA A 62 6.838 0.910 -2.778 1.00 0.00 H new ATOM 0 HA ALA A 62 5.092 -1.253 -3.110 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.200 -1.475 -5.295 1.00 0.00 H new ATOM 0 HB2 ALA A 62 5.835 0.225 -4.915 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.498 -0.388 -4.746 1.00 0.00 H new ATOM 905 N ALA A 63 8.246 -2.052 -2.545 1.00 0.00 N ATOM 906 CA ALA A 63 9.123 -3.126 -2.123 1.00 0.00 C ATOM 907 C ALA A 63 8.730 -3.597 -0.736 1.00 0.00 C ATOM 908 O ALA A 63 8.616 -4.796 -0.492 1.00 0.00 O ATOM 909 CB ALA A 63 10.576 -2.674 -2.130 1.00 0.00 C ATOM 0 H ALA A 63 8.703 -1.144 -2.625 1.00 0.00 H new ATOM 0 HA ALA A 63 9.020 -3.953 -2.826 1.00 0.00 H new ATOM 0 HB1 ALA A 63 11.215 -3.497 -1.810 1.00 0.00 H new ATOM 0 HB2 ALA A 63 10.857 -2.368 -3.138 1.00 0.00 H new ATOM 0 HB3 ALA A 63 10.699 -1.833 -1.448 1.00 0.00 H new ATOM 915 N TRP A 64 8.496 -2.634 0.148 1.00 0.00 N ATOM 916 CA TRP A 64 8.115 -2.889 1.532 1.00 0.00 C ATOM 917 C TRP A 64 6.833 -3.719 1.609 1.00 0.00 C ATOM 918 O TRP A 64 6.778 -4.720 2.337 1.00 0.00 O ATOM 919 CB TRP A 64 7.947 -1.557 2.287 1.00 0.00 C ATOM 920 CG TRP A 64 7.537 -1.703 3.722 1.00 0.00 C ATOM 921 CD1 TRP A 64 8.360 -1.823 4.792 1.00 0.00 C ATOM 922 CD2 TRP A 64 6.196 -1.732 4.242 1.00 0.00 C ATOM 923 NE1 TRP A 64 7.622 -1.936 5.942 1.00 0.00 N ATOM 924 CE2 TRP A 64 6.293 -1.879 5.631 1.00 0.00 C ATOM 925 CE3 TRP A 64 4.927 -1.648 3.663 1.00 0.00 C ATOM 926 CZ2 TRP A 64 5.173 -1.944 6.454 1.00 0.00 C ATOM 927 CZ3 TRP A 64 3.823 -1.708 4.479 1.00 0.00 C ATOM 928 CH2 TRP A 64 3.949 -1.853 5.856 1.00 0.00 C ATOM 0 H TRP A 64 8.566 -1.642 -0.079 1.00 0.00 H new ATOM 0 HA TRP A 64 8.910 -3.465 2.006 1.00 0.00 H new ATOM 0 HB2 TRP A 64 8.888 -1.009 2.245 1.00 0.00 H new ATOM 0 HB3 TRP A 64 7.203 -0.952 1.769 1.00 0.00 H new ATOM 0 HD1 TRP A 64 9.439 -1.829 4.746 1.00 0.00 H new ATOM 0 HE1 TRP A 64 8.005 -2.045 6.881 1.00 0.00 H new ATOM 0 HE3 TRP A 64 4.816 -1.538 2.594 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 5.268 -2.062 7.523 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 2.838 -1.641 4.042 1.00 0.00 H new ATOM 0 HH2 TRP A 64 3.059 -1.895 6.466 1.00 0.00 H new