USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 591 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -135:sc= 0.0193 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 6:sc= 0.981 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 HIS : no HD1:sc= -0.0153 X(o=-0.015,f=-0.38) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= -0.226 USER MOD Single : A 19 GLN : amide:sc=-0.00155 K(o=-0.0016,f=-1.4) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot -52:sc= 0.384 USER MOD Single : A 30 THR OG1 : rot 173:sc= 0.02 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -2.7! C(o=-2.7!,f=-4.1!) USER MOD Single : A 38 MET CE :methyl -126:sc= -1.23 (180deg=-2.2) USER MOD Single : A 39 LYS NZ :NH3+ -160:sc= -0.0323 (180deg=-0.278) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.0867 K(o=-0.087,f=-2!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 60 HIS :FLIP no HD1:sc= -2.95! F(o=-3.8,f=-3!) USER MOD Single : A 62 HIS :FLIP no HD1:sc= -0.105 F(o=-0.94,f=-0.1) USER MOD Single : A 70 ASN : amide:sc= -4.81! C(o=-4.8!,f=-7.4!) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 18.197 4.113 -14.004 1.00 0.00 N ATOM 2 CA GLY A 1 18.418 4.222 -12.573 1.00 0.00 C ATOM 3 C GLY A 1 18.612 2.872 -11.912 1.00 0.00 C ATOM 4 O GLY A 1 19.171 1.954 -12.512 1.00 0.00 O ATOM 0 H1 GLY A 1 18.775 4.822 -14.499 1.00 0.00 H new ATOM 0 H2 GLY A 1 18.466 3.161 -14.325 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.192 4.278 -14.214 1.00 0.00 H new ATOM 0 HA2 GLY A 1 19.296 4.842 -12.390 1.00 0.00 H new ATOM 0 HA3 GLY A 1 17.569 4.729 -12.115 1.00 0.00 H new ATOM 8 N SER A 2 18.152 2.751 -10.671 1.00 0.00 N ATOM 9 CA SER A 2 18.283 1.505 -9.925 1.00 0.00 C ATOM 10 C SER A 2 17.010 0.670 -10.035 1.00 0.00 C ATOM 11 O SER A 2 15.905 1.208 -10.099 1.00 0.00 O ATOM 12 CB SER A 2 18.591 1.795 -8.455 1.00 0.00 C ATOM 13 OG SER A 2 19.970 2.060 -8.266 1.00 0.00 O ATOM 0 H SER A 2 17.685 3.501 -10.161 1.00 0.00 H new ATOM 0 HA SER A 2 19.108 0.937 -10.356 1.00 0.00 H new ATOM 0 HB2 SER A 2 18.004 2.650 -8.119 1.00 0.00 H new ATOM 0 HB3 SER A 2 18.294 0.943 -7.843 1.00 0.00 H new ATOM 0 HG SER A 2 20.141 2.244 -7.319 1.00 0.00 H new ATOM 19 N SER A 3 17.175 -0.649 -10.055 1.00 0.00 N ATOM 20 CA SER A 3 16.041 -1.559 -10.160 1.00 0.00 C ATOM 21 C SER A 3 15.915 -2.418 -8.906 1.00 0.00 C ATOM 22 O SER A 3 16.773 -3.255 -8.624 1.00 0.00 O ATOM 23 CB SER A 3 16.191 -2.454 -11.392 1.00 0.00 C ATOM 24 OG SER A 3 17.183 -3.445 -11.185 1.00 0.00 O ATOM 0 H SER A 3 18.083 -1.111 -10.000 1.00 0.00 H new ATOM 0 HA SER A 3 15.135 -0.961 -10.262 1.00 0.00 H new ATOM 0 HB2 SER A 3 15.237 -2.931 -11.617 1.00 0.00 H new ATOM 0 HB3 SER A 3 16.455 -1.846 -12.257 1.00 0.00 H new ATOM 0 HG SER A 3 17.497 -3.405 -10.257 1.00 0.00 H new ATOM 30 N GLY A 4 14.839 -2.204 -8.155 1.00 0.00 N ATOM 31 CA GLY A 4 14.620 -2.966 -6.939 1.00 0.00 C ATOM 32 C GLY A 4 13.478 -2.415 -6.108 1.00 0.00 C ATOM 33 O GLY A 4 12.739 -1.539 -6.559 1.00 0.00 O ATOM 0 H GLY A 4 14.115 -1.517 -8.367 1.00 0.00 H new ATOM 0 HA2 GLY A 4 14.410 -4.004 -7.197 1.00 0.00 H new ATOM 0 HA3 GLY A 4 15.533 -2.964 -6.343 1.00 0.00 H new ATOM 37 N SER A 5 13.331 -2.930 -4.891 1.00 0.00 N ATOM 38 CA SER A 5 12.267 -2.488 -3.998 1.00 0.00 C ATOM 39 C SER A 5 12.817 -2.179 -2.608 1.00 0.00 C ATOM 40 O SER A 5 13.797 -2.782 -2.169 1.00 0.00 O ATOM 41 CB SER A 5 11.177 -3.556 -3.901 1.00 0.00 C ATOM 42 OG SER A 5 10.238 -3.425 -4.954 1.00 0.00 O ATOM 0 H SER A 5 13.935 -3.653 -4.501 1.00 0.00 H new ATOM 0 HA SER A 5 11.836 -1.576 -4.411 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.630 -4.547 -3.935 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.666 -3.472 -2.942 1.00 0.00 H new ATOM 0 HG SER A 5 9.553 -4.121 -4.870 1.00 0.00 H new ATOM 48 N SER A 6 12.180 -1.236 -1.922 1.00 0.00 N ATOM 49 CA SER A 6 12.607 -0.844 -0.584 1.00 0.00 C ATOM 50 C SER A 6 11.451 -0.945 0.407 1.00 0.00 C ATOM 51 O SER A 6 10.302 -0.670 0.067 1.00 0.00 O ATOM 52 CB SER A 6 13.156 0.584 -0.600 1.00 0.00 C ATOM 53 OG SER A 6 14.445 0.628 -1.188 1.00 0.00 O ATOM 0 H SER A 6 11.366 -0.729 -2.270 1.00 0.00 H new ATOM 0 HA SER A 6 13.396 -1.526 -0.266 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.477 1.232 -1.155 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.204 0.970 0.418 1.00 0.00 H new ATOM 0 HG SER A 6 14.773 1.551 -1.188 1.00 0.00 H new ATOM 59 N GLY A 7 11.767 -1.344 1.635 1.00 0.00 N ATOM 60 CA GLY A 7 10.745 -1.476 2.658 1.00 0.00 C ATOM 61 C GLY A 7 11.326 -1.512 4.057 1.00 0.00 C ATOM 62 O GLY A 7 12.262 -0.775 4.368 1.00 0.00 O ATOM 0 H GLY A 7 12.712 -1.578 1.940 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.047 -0.643 2.579 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.174 -2.388 2.481 1.00 0.00 H new ATOM 66 N VAL A 8 10.770 -2.372 4.905 1.00 0.00 N ATOM 67 CA VAL A 8 11.239 -2.501 6.280 1.00 0.00 C ATOM 68 C VAL A 8 11.774 -3.903 6.548 1.00 0.00 C ATOM 69 O VAL A 8 11.564 -4.822 5.756 1.00 0.00 O ATOM 70 CB VAL A 8 10.116 -2.190 7.287 1.00 0.00 C ATOM 71 CG1 VAL A 8 9.632 -0.758 7.122 1.00 0.00 C ATOM 72 CG2 VAL A 8 8.966 -3.173 7.122 1.00 0.00 C ATOM 0 H VAL A 8 9.995 -2.989 4.664 1.00 0.00 H new ATOM 0 HA VAL A 8 12.044 -1.777 6.410 1.00 0.00 H new ATOM 0 HB VAL A 8 10.515 -2.299 8.295 1.00 0.00 H new ATOM 0 HG11 VAL A 8 8.839 -0.557 7.842 1.00 0.00 H new ATOM 0 HG12 VAL A 8 10.461 -0.072 7.294 1.00 0.00 H new ATOM 0 HG13 VAL A 8 9.249 -0.618 6.111 1.00 0.00 H new ATOM 0 HG21 VAL A 8 8.181 -2.939 7.841 1.00 0.00 H new ATOM 0 HG22 VAL A 8 8.566 -3.098 6.111 1.00 0.00 H new ATOM 0 HG23 VAL A 8 9.326 -4.187 7.295 1.00 0.00 H new ATOM 82 N HIS A 9 12.467 -4.061 7.671 1.00 0.00 N ATOM 83 CA HIS A 9 13.032 -5.352 8.046 1.00 0.00 C ATOM 84 C HIS A 9 12.264 -5.963 9.214 1.00 0.00 C ATOM 85 O HIS A 9 11.707 -7.056 9.100 1.00 0.00 O ATOM 86 CB HIS A 9 14.508 -5.199 8.416 1.00 0.00 C ATOM 87 CG HIS A 9 15.292 -4.389 7.429 1.00 0.00 C ATOM 88 ND1 HIS A 9 15.307 -3.010 7.431 1.00 0.00 N ATOM 89 CD2 HIS A 9 16.092 -4.771 6.407 1.00 0.00 C ATOM 90 CE1 HIS A 9 16.081 -2.579 6.451 1.00 0.00 C ATOM 91 NE2 HIS A 9 16.570 -3.629 5.814 1.00 0.00 N ATOM 0 H HIS A 9 12.651 -3.311 8.337 1.00 0.00 H new ATOM 0 HA HIS A 9 12.947 -6.020 7.189 1.00 0.00 H new ATOM 0 HB2 HIS A 9 14.581 -4.731 9.398 1.00 0.00 H new ATOM 0 HB3 HIS A 9 14.957 -6.188 8.500 1.00 0.00 H new ATOM 0 HD2 HIS A 9 16.313 -5.786 6.112 1.00 0.00 H new ATOM 0 HE1 HIS A 9 16.280 -1.545 6.211 1.00 0.00 H new ATOM 0 HE2 HIS A 9 17.200 -3.596 5.012 1.00 0.00 H new ATOM 100 N VAL A 10 12.238 -5.252 10.336 1.00 0.00 N ATOM 101 CA VAL A 10 11.538 -5.724 11.525 1.00 0.00 C ATOM 102 C VAL A 10 10.187 -6.330 11.162 1.00 0.00 C ATOM 103 O VAL A 10 9.602 -5.995 10.133 1.00 0.00 O ATOM 104 CB VAL A 10 11.322 -4.585 12.539 1.00 0.00 C ATOM 105 CG1 VAL A 10 10.418 -3.512 11.952 1.00 0.00 C ATOM 106 CG2 VAL A 10 10.744 -5.130 13.836 1.00 0.00 C ATOM 0 H VAL A 10 12.694 -4.346 10.447 1.00 0.00 H new ATOM 0 HA VAL A 10 12.167 -6.490 11.980 1.00 0.00 H new ATOM 0 HB VAL A 10 12.288 -4.131 12.761 1.00 0.00 H new ATOM 0 HG11 VAL A 10 10.277 -2.716 12.683 1.00 0.00 H new ATOM 0 HG12 VAL A 10 10.877 -3.102 11.052 1.00 0.00 H new ATOM 0 HG13 VAL A 10 9.452 -3.948 11.700 1.00 0.00 H new ATOM 0 HG21 VAL A 10 10.598 -4.312 14.541 1.00 0.00 H new ATOM 0 HG22 VAL A 10 9.787 -5.611 13.634 1.00 0.00 H new ATOM 0 HG23 VAL A 10 11.433 -5.859 14.263 1.00 0.00 H new ATOM 116 N GLU A 11 9.697 -7.224 12.016 1.00 0.00 N ATOM 117 CA GLU A 11 8.414 -7.877 11.784 1.00 0.00 C ATOM 118 C GLU A 11 7.276 -7.079 12.415 1.00 0.00 C ATOM 119 O GLU A 11 7.043 -7.157 13.622 1.00 0.00 O ATOM 120 CB GLU A 11 8.430 -9.298 12.351 1.00 0.00 C ATOM 121 CG GLU A 11 7.293 -10.169 11.843 1.00 0.00 C ATOM 122 CD GLU A 11 7.239 -11.518 12.533 1.00 0.00 C ATOM 123 OE1 GLU A 11 7.024 -11.548 13.763 1.00 0.00 O ATOM 124 OE2 GLU A 11 7.412 -12.544 11.842 1.00 0.00 O ATOM 0 H GLU A 11 10.169 -7.512 12.873 1.00 0.00 H new ATOM 0 HA GLU A 11 8.249 -7.925 10.708 1.00 0.00 H new ATOM 0 HB2 GLU A 11 9.379 -9.770 12.098 1.00 0.00 H new ATOM 0 HB3 GLU A 11 8.379 -9.247 13.439 1.00 0.00 H new ATOM 0 HG2 GLU A 11 6.347 -9.650 11.994 1.00 0.00 H new ATOM 0 HG3 GLU A 11 7.406 -10.318 10.769 1.00 0.00 H new ATOM 131 N ASP A 12 6.571 -6.313 11.591 1.00 0.00 N ATOM 132 CA ASP A 12 5.457 -5.501 12.066 1.00 0.00 C ATOM 133 C ASP A 12 4.285 -5.561 11.091 1.00 0.00 C ATOM 134 O ASP A 12 4.417 -6.069 9.978 1.00 0.00 O ATOM 135 CB ASP A 12 5.901 -4.050 12.260 1.00 0.00 C ATOM 136 CG ASP A 12 6.786 -3.873 13.478 1.00 0.00 C ATOM 137 OD1 ASP A 12 7.541 -4.814 13.805 1.00 0.00 O ATOM 138 OD2 ASP A 12 6.725 -2.795 14.104 1.00 0.00 O ATOM 0 H ASP A 12 6.751 -6.237 10.590 1.00 0.00 H new ATOM 0 HA ASP A 12 5.130 -5.904 13.024 1.00 0.00 H new ATOM 0 HB2 ASP A 12 6.438 -3.716 11.372 1.00 0.00 H new ATOM 0 HB3 ASP A 12 5.021 -3.414 12.358 1.00 0.00 H new ATOM 143 N ALA A 13 3.139 -5.041 11.518 1.00 0.00 N ATOM 144 CA ALA A 13 1.945 -5.035 10.683 1.00 0.00 C ATOM 145 C ALA A 13 1.363 -3.630 10.566 1.00 0.00 C ATOM 146 O ALA A 13 1.121 -3.136 9.464 1.00 0.00 O ATOM 147 CB ALA A 13 0.905 -5.994 11.242 1.00 0.00 C ATOM 0 H ALA A 13 3.013 -4.618 12.438 1.00 0.00 H new ATOM 0 HA ALA A 13 2.229 -5.366 9.684 1.00 0.00 H new ATOM 0 HB1 ALA A 13 0.018 -5.979 10.608 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.317 -7.003 11.267 1.00 0.00 H new ATOM 0 HB3 ALA A 13 0.634 -5.688 12.252 1.00 0.00 H new ATOM 153 N LEU A 14 1.142 -2.990 11.709 1.00 0.00 N ATOM 154 CA LEU A 14 0.587 -1.641 11.736 1.00 0.00 C ATOM 155 C LEU A 14 1.696 -0.595 11.675 1.00 0.00 C ATOM 156 O LEU A 14 1.483 0.572 12.004 1.00 0.00 O ATOM 157 CB LEU A 14 -0.252 -1.438 12.998 1.00 0.00 C ATOM 158 CG LEU A 14 0.396 -1.873 14.313 1.00 0.00 C ATOM 159 CD1 LEU A 14 -0.118 -1.028 15.468 1.00 0.00 C ATOM 160 CD2 LEU A 14 0.136 -3.350 14.573 1.00 0.00 C ATOM 0 H LEU A 14 1.339 -3.383 12.629 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.051 -1.520 10.860 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.507 -0.381 13.074 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.188 -1.984 12.879 1.00 0.00 H new ATOM 0 HG LEU A 14 1.473 -1.723 14.232 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.355 -1.353 16.395 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.121 0.020 15.287 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.199 -1.145 15.552 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.604 -3.642 15.513 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.938 -3.525 14.633 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.555 -3.942 13.759 1.00 0.00 H new ATOM 172 N THR A 15 2.882 -1.022 11.251 1.00 0.00 N ATOM 173 CA THR A 15 4.024 -0.123 11.146 1.00 0.00 C ATOM 174 C THR A 15 3.797 0.932 10.069 1.00 0.00 C ATOM 175 O THR A 15 4.308 2.048 10.162 1.00 0.00 O ATOM 176 CB THR A 15 5.319 -0.895 10.827 1.00 0.00 C ATOM 177 OG1 THR A 15 6.434 0.004 10.811 1.00 0.00 O ATOM 178 CG2 THR A 15 5.211 -1.601 9.484 1.00 0.00 C ATOM 0 H THR A 15 3.076 -1.985 10.975 1.00 0.00 H new ATOM 0 HA THR A 15 4.130 0.367 12.114 1.00 0.00 H new ATOM 0 HB THR A 15 5.469 -1.646 11.603 1.00 0.00 H new ATOM 0 HG1 THR A 15 7.253 -0.494 10.609 1.00 0.00 H new ATOM 0 HG21 THR A 15 6.137 -2.139 9.280 1.00 0.00 H new ATOM 0 HG22 THR A 15 4.380 -2.306 9.509 1.00 0.00 H new ATOM 0 HG23 THR A 15 5.039 -0.865 8.699 1.00 0.00 H new ATOM 186 N TYR A 16 3.027 0.572 9.048 1.00 0.00 N ATOM 187 CA TYR A 16 2.733 1.487 7.952 1.00 0.00 C ATOM 188 C TYR A 16 1.481 2.307 8.248 1.00 0.00 C ATOM 189 O TYR A 16 1.416 3.497 7.937 1.00 0.00 O ATOM 190 CB TYR A 16 2.552 0.711 6.646 1.00 0.00 C ATOM 191 CG TYR A 16 1.930 1.530 5.537 1.00 0.00 C ATOM 192 CD1 TYR A 16 2.710 2.354 4.735 1.00 0.00 C ATOM 193 CD2 TYR A 16 0.563 1.480 5.292 1.00 0.00 C ATOM 194 CE1 TYR A 16 2.146 3.104 3.721 1.00 0.00 C ATOM 195 CE2 TYR A 16 -0.008 2.225 4.279 1.00 0.00 C ATOM 196 CZ TYR A 16 0.787 3.036 3.496 1.00 0.00 C ATOM 197 OH TYR A 16 0.221 3.781 2.487 1.00 0.00 O ATOM 0 H TYR A 16 2.595 -0.348 8.957 1.00 0.00 H new ATOM 0 HA TYR A 16 3.576 2.170 7.847 1.00 0.00 H new ATOM 0 HB2 TYR A 16 3.523 0.343 6.314 1.00 0.00 H new ATOM 0 HB3 TYR A 16 1.928 -0.162 6.835 1.00 0.00 H new ATOM 0 HD1 TYR A 16 3.775 2.409 4.907 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -0.063 0.848 5.904 1.00 0.00 H new ATOM 0 HE1 TYR A 16 2.766 3.740 3.107 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -1.072 2.173 4.101 1.00 0.00 H new ATOM 0 HH TYR A 16 -0.745 3.617 2.462 1.00 0.00 H new ATOM 207 N LEU A 17 0.489 1.662 8.851 1.00 0.00 N ATOM 208 CA LEU A 17 -0.763 2.330 9.191 1.00 0.00 C ATOM 209 C LEU A 17 -0.498 3.654 9.901 1.00 0.00 C ATOM 210 O LEU A 17 -1.103 4.676 9.575 1.00 0.00 O ATOM 211 CB LEU A 17 -1.622 1.426 10.076 1.00 0.00 C ATOM 212 CG LEU A 17 -3.135 1.613 9.957 1.00 0.00 C ATOM 213 CD1 LEU A 17 -3.564 2.922 10.600 1.00 0.00 C ATOM 214 CD2 LEU A 17 -3.565 1.567 8.498 1.00 0.00 C ATOM 0 H LEU A 17 0.527 0.677 9.115 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.300 2.537 8.265 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.385 0.389 9.840 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.336 1.590 11.115 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.625 0.795 10.486 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -4.644 3.037 10.505 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.291 2.916 11.655 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.065 3.753 10.101 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -4.645 1.702 8.432 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -3.066 2.363 7.946 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.293 0.603 8.069 1.00 0.00 H new ATOM 226 N ASP A 18 0.410 3.628 10.870 1.00 0.00 N ATOM 227 CA ASP A 18 0.757 4.827 11.624 1.00 0.00 C ATOM 228 C ASP A 18 1.035 5.998 10.687 1.00 0.00 C ATOM 229 O ASP A 18 0.460 7.075 10.838 1.00 0.00 O ATOM 230 CB ASP A 18 1.978 4.564 12.507 1.00 0.00 C ATOM 231 CG ASP A 18 2.612 5.844 13.016 1.00 0.00 C ATOM 232 OD1 ASP A 18 1.982 6.526 13.851 1.00 0.00 O ATOM 233 OD2 ASP A 18 3.737 6.164 12.578 1.00 0.00 O ATOM 0 H ASP A 18 0.919 2.790 11.152 1.00 0.00 H new ATOM 0 HA ASP A 18 -0.092 5.086 12.257 1.00 0.00 H new ATOM 0 HB2 ASP A 18 1.683 3.946 13.355 1.00 0.00 H new ATOM 0 HB3 ASP A 18 2.717 3.996 11.941 1.00 0.00 H new ATOM 238 N GLN A 19 1.919 5.778 9.719 1.00 0.00 N ATOM 239 CA GLN A 19 2.274 6.816 8.759 1.00 0.00 C ATOM 240 C GLN A 19 1.025 7.488 8.198 1.00 0.00 C ATOM 241 O GLN A 19 0.778 8.668 8.446 1.00 0.00 O ATOM 242 CB GLN A 19 3.104 6.223 7.619 1.00 0.00 C ATOM 243 CG GLN A 19 4.392 5.562 8.084 1.00 0.00 C ATOM 244 CD GLN A 19 5.482 6.567 8.400 1.00 0.00 C ATOM 245 OE1 GLN A 19 5.310 7.770 8.201 1.00 0.00 O ATOM 246 NE2 GLN A 19 6.612 6.078 8.897 1.00 0.00 N ATOM 0 H GLN A 19 2.402 4.891 9.579 1.00 0.00 H new ATOM 0 HA GLN A 19 2.868 7.569 9.278 1.00 0.00 H new ATOM 0 HB2 GLN A 19 2.501 5.489 7.085 1.00 0.00 H new ATOM 0 HB3 GLN A 19 3.347 7.013 6.908 1.00 0.00 H new ATOM 0 HG2 GLN A 19 4.188 4.962 8.971 1.00 0.00 H new ATOM 0 HG3 GLN A 19 4.745 4.879 7.311 1.00 0.00 H new ATOM 0 HE21 GLN A 19 6.711 5.074 9.046 1.00 0.00 H new ATOM 0 HE22 GLN A 19 7.381 6.707 9.130 1.00 0.00 H new ATOM 255 N VAL A 20 0.240 6.729 7.440 1.00 0.00 N ATOM 256 CA VAL A 20 -0.984 7.251 6.844 1.00 0.00 C ATOM 257 C VAL A 20 -1.709 8.185 7.807 1.00 0.00 C ATOM 258 O VAL A 20 -2.148 9.270 7.425 1.00 0.00 O ATOM 259 CB VAL A 20 -1.938 6.113 6.434 1.00 0.00 C ATOM 260 CG1 VAL A 20 -3.165 6.672 5.730 1.00 0.00 C ATOM 261 CG2 VAL A 20 -1.218 5.107 5.549 1.00 0.00 C ATOM 0 H VAL A 20 0.430 5.750 7.224 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.691 7.808 5.954 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.269 5.598 7.336 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.827 5.853 5.448 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -3.692 7.350 6.401 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.856 7.214 4.836 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.907 4.310 5.269 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.856 5.606 4.650 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.374 4.682 6.093 1.00 0.00 H new ATOM 271 N LYS A 21 -1.831 7.756 9.059 1.00 0.00 N ATOM 272 CA LYS A 21 -2.501 8.554 10.079 1.00 0.00 C ATOM 273 C LYS A 21 -1.837 9.920 10.224 1.00 0.00 C ATOM 274 O LYS A 21 -2.481 10.955 10.051 1.00 0.00 O ATOM 275 CB LYS A 21 -2.484 7.821 11.422 1.00 0.00 C ATOM 276 CG LYS A 21 -3.488 8.364 12.424 1.00 0.00 C ATOM 277 CD LYS A 21 -3.340 7.694 13.780 1.00 0.00 C ATOM 278 CE LYS A 21 -2.179 8.280 14.568 1.00 0.00 C ATOM 279 NZ LYS A 21 -2.082 7.694 15.933 1.00 0.00 N ATOM 0 H LYS A 21 -1.475 6.860 9.391 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.535 8.704 9.767 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.688 6.764 11.252 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.484 7.888 11.850 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -3.350 9.440 12.532 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -4.499 8.208 12.048 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -4.263 7.812 14.348 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -3.185 6.624 13.643 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.248 8.102 14.030 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.301 9.360 14.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -1.278 8.120 16.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.960 7.886 16.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -1.940 6.666 15.860 1.00 0.00 H new ATOM 293 N ILE A 22 -0.547 9.914 10.542 1.00 0.00 N ATOM 294 CA ILE A 22 0.203 11.153 10.708 1.00 0.00 C ATOM 295 C ILE A 22 0.031 12.066 9.499 1.00 0.00 C ATOM 296 O ILE A 22 -0.442 13.196 9.624 1.00 0.00 O ATOM 297 CB ILE A 22 1.704 10.878 10.921 1.00 0.00 C ATOM 298 CG1 ILE A 22 1.913 9.989 12.148 1.00 0.00 C ATOM 299 CG2 ILE A 22 2.466 12.186 11.071 1.00 0.00 C ATOM 300 CD1 ILE A 22 3.259 9.301 12.174 1.00 0.00 C ATOM 0 H ILE A 22 0.000 9.066 10.690 1.00 0.00 H new ATOM 0 HA ILE A 22 -0.197 11.648 11.593 1.00 0.00 H new ATOM 0 HB ILE A 22 2.090 10.354 10.047 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.806 10.595 13.048 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.128 9.234 12.177 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.525 11.975 11.221 1.00 0.00 H new ATOM 0 HG22 ILE A 22 2.339 12.786 10.170 1.00 0.00 H new ATOM 0 HG23 ILE A 22 2.080 12.735 11.930 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.337 8.688 13.072 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.361 8.668 11.292 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.051 10.050 12.176 1.00 0.00 H new ATOM 312 N ARG A 23 0.418 11.568 8.329 1.00 0.00 N ATOM 313 CA ARG A 23 0.306 12.339 7.096 1.00 0.00 C ATOM 314 C ARG A 23 -1.099 12.913 6.939 1.00 0.00 C ATOM 315 O ARG A 23 -1.280 14.128 6.864 1.00 0.00 O ATOM 316 CB ARG A 23 0.648 11.463 5.889 1.00 0.00 C ATOM 317 CG ARG A 23 1.236 12.239 4.722 1.00 0.00 C ATOM 318 CD ARG A 23 0.247 13.256 4.174 1.00 0.00 C ATOM 319 NE ARG A 23 0.363 14.548 4.846 1.00 0.00 N ATOM 320 CZ ARG A 23 1.367 15.393 4.644 1.00 0.00 C ATOM 321 NH1 ARG A 23 2.337 15.085 3.795 1.00 0.00 N ATOM 322 NH2 ARG A 23 1.402 16.551 5.293 1.00 0.00 N ATOM 0 H ARG A 23 0.812 10.635 8.209 1.00 0.00 H new ATOM 0 HA ARG A 23 1.014 13.166 7.149 1.00 0.00 H new ATOM 0 HB2 ARG A 23 1.357 10.694 6.197 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -0.254 10.950 5.556 1.00 0.00 H new ATOM 0 HG2 ARG A 23 2.144 12.750 5.044 1.00 0.00 H new ATOM 0 HG3 ARG A 23 1.523 11.546 3.931 1.00 0.00 H new ATOM 0 HD2 ARG A 23 0.416 13.387 3.105 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.768 12.875 4.292 1.00 0.00 H new ATOM 0 HE ARG A 23 -0.367 14.815 5.506 1.00 0.00 H new ATOM 0 HH11 ARG A 23 2.314 14.197 3.294 1.00 0.00 H new ATOM 0 HH12 ARG A 23 3.107 15.736 3.642 1.00 0.00 H new ATOM 0 HH21 ARG A 23 0.657 16.792 5.947 1.00 0.00 H new ATOM 0 HH22 ARG A 23 2.174 17.200 5.137 1.00 0.00 H new ATOM 336 N PHE A 24 -2.091 12.030 6.890 1.00 0.00 N ATOM 337 CA PHE A 24 -3.480 12.448 6.741 1.00 0.00 C ATOM 338 C PHE A 24 -4.137 12.650 8.103 1.00 0.00 C ATOM 339 O PHE A 24 -5.287 12.266 8.313 1.00 0.00 O ATOM 340 CB PHE A 24 -4.264 11.410 5.933 1.00 0.00 C ATOM 341 CG PHE A 24 -3.851 11.337 4.491 1.00 0.00 C ATOM 342 CD1 PHE A 24 -4.346 12.245 3.568 1.00 0.00 C ATOM 343 CD2 PHE A 24 -2.968 10.361 4.058 1.00 0.00 C ATOM 344 CE1 PHE A 24 -3.969 12.179 2.240 1.00 0.00 C ATOM 345 CE2 PHE A 24 -2.587 10.291 2.731 1.00 0.00 C ATOM 346 CZ PHE A 24 -3.087 11.202 1.821 1.00 0.00 C ATOM 0 H PHE A 24 -1.959 11.020 6.951 1.00 0.00 H new ATOM 0 HA PHE A 24 -3.491 13.398 6.207 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -4.132 10.430 6.391 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -5.327 11.646 5.987 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.034 13.013 3.890 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -2.573 9.647 4.765 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -4.364 12.891 1.530 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -1.899 9.525 2.406 1.00 0.00 H new ATOM 0 HZ PHE A 24 -2.789 11.151 0.784 1.00 0.00 H new ATOM 356 N GLY A 25 -3.397 13.257 9.026 1.00 0.00 N ATOM 357 CA GLY A 25 -3.922 13.499 10.357 1.00 0.00 C ATOM 358 C GLY A 25 -5.157 14.378 10.341 1.00 0.00 C ATOM 359 O GLY A 25 -6.164 14.057 10.972 1.00 0.00 O ATOM 0 H GLY A 25 -2.443 13.585 8.876 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.164 12.546 10.828 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -3.152 13.970 10.968 1.00 0.00 H new ATOM 363 N SER A 26 -5.080 15.492 9.619 1.00 0.00 N ATOM 364 CA SER A 26 -6.198 16.423 9.528 1.00 0.00 C ATOM 365 C SER A 26 -6.971 16.219 8.228 1.00 0.00 C ATOM 366 O SER A 26 -7.673 17.117 7.763 1.00 0.00 O ATOM 367 CB SER A 26 -5.697 17.866 9.615 1.00 0.00 C ATOM 368 OG SER A 26 -6.769 18.766 9.832 1.00 0.00 O ATOM 0 H SER A 26 -4.255 15.771 9.089 1.00 0.00 H new ATOM 0 HA SER A 26 -6.869 16.228 10.364 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.974 17.955 10.426 1.00 0.00 H new ATOM 0 HB3 SER A 26 -5.177 18.130 8.694 1.00 0.00 H new ATOM 0 HG SER A 26 -7.466 18.613 9.160 1.00 0.00 H new ATOM 374 N ASP A 27 -6.836 15.031 7.648 1.00 0.00 N ATOM 375 CA ASP A 27 -7.522 14.707 6.402 1.00 0.00 C ATOM 376 C ASP A 27 -8.467 13.525 6.594 1.00 0.00 C ATOM 377 O ASP A 27 -8.145 12.382 6.266 1.00 0.00 O ATOM 378 CB ASP A 27 -6.506 14.391 5.303 1.00 0.00 C ATOM 379 CG ASP A 27 -5.842 15.638 4.753 1.00 0.00 C ATOM 380 OD1 ASP A 27 -5.363 16.462 5.562 1.00 0.00 O ATOM 381 OD2 ASP A 27 -5.800 15.790 3.515 1.00 0.00 O ATOM 0 H ASP A 27 -6.258 14.277 8.020 1.00 0.00 H new ATOM 0 HA ASP A 27 -8.110 15.575 6.103 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.743 13.721 5.699 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -7.005 13.861 4.492 1.00 0.00 H new ATOM 386 N PRO A 28 -9.660 13.803 7.139 1.00 0.00 N ATOM 387 CA PRO A 28 -10.676 12.775 7.387 1.00 0.00 C ATOM 388 C PRO A 28 -11.281 12.234 6.096 1.00 0.00 C ATOM 389 O PRO A 28 -11.753 11.099 6.049 1.00 0.00 O ATOM 390 CB PRO A 28 -11.737 13.515 8.206 1.00 0.00 C ATOM 391 CG PRO A 28 -11.577 14.947 7.827 1.00 0.00 C ATOM 392 CD PRO A 28 -10.111 15.142 7.554 1.00 0.00 C ATOM 0 HA PRO A 28 -10.259 11.904 7.892 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -12.739 13.154 7.974 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -11.585 13.369 9.275 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -12.173 15.187 6.946 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -11.915 15.603 8.629 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -9.943 15.883 6.772 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -9.580 15.488 8.441 1.00 0.00 H new ATOM 400 N ALA A 29 -11.264 13.055 5.051 1.00 0.00 N ATOM 401 CA ALA A 29 -11.809 12.657 3.758 1.00 0.00 C ATOM 402 C ALA A 29 -10.970 11.552 3.125 1.00 0.00 C ATOM 403 O ALA A 29 -11.505 10.585 2.583 1.00 0.00 O ATOM 404 CB ALA A 29 -11.891 13.859 2.828 1.00 0.00 C ATOM 0 H ALA A 29 -10.879 13.999 5.074 1.00 0.00 H new ATOM 0 HA ALA A 29 -12.814 12.267 3.919 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -12.299 13.548 1.866 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -12.538 14.617 3.269 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -10.894 14.274 2.681 1.00 0.00 H new ATOM 410 N THR A 30 -9.651 11.702 3.197 1.00 0.00 N ATOM 411 CA THR A 30 -8.738 10.718 2.629 1.00 0.00 C ATOM 412 C THR A 30 -8.665 9.469 3.500 1.00 0.00 C ATOM 413 O THR A 30 -8.796 8.348 3.007 1.00 0.00 O ATOM 414 CB THR A 30 -7.320 11.297 2.463 1.00 0.00 C ATOM 415 OG1 THR A 30 -7.348 12.408 1.560 1.00 0.00 O ATOM 416 CG2 THR A 30 -6.361 10.237 1.942 1.00 0.00 C ATOM 0 H THR A 30 -9.191 12.496 3.643 1.00 0.00 H new ATOM 0 HA THR A 30 -9.131 10.452 1.648 1.00 0.00 H new ATOM 0 HB THR A 30 -6.971 11.632 3.440 1.00 0.00 H new ATOM 0 HG1 THR A 30 -6.467 12.838 1.543 1.00 0.00 H new ATOM 0 HG21 THR A 30 -5.366 10.669 1.833 1.00 0.00 H new ATOM 0 HG22 THR A 30 -6.321 9.406 2.646 1.00 0.00 H new ATOM 0 HG23 THR A 30 -6.708 9.876 0.974 1.00 0.00 H new ATOM 424 N TYR A 31 -8.456 9.668 4.796 1.00 0.00 N ATOM 425 CA TYR A 31 -8.365 8.557 5.736 1.00 0.00 C ATOM 426 C TYR A 31 -9.599 7.665 5.647 1.00 0.00 C ATOM 427 O TYR A 31 -9.497 6.440 5.687 1.00 0.00 O ATOM 428 CB TYR A 31 -8.203 9.081 7.164 1.00 0.00 C ATOM 429 CG TYR A 31 -7.445 8.139 8.072 1.00 0.00 C ATOM 430 CD1 TYR A 31 -6.135 7.773 7.790 1.00 0.00 C ATOM 431 CD2 TYR A 31 -8.040 7.616 9.214 1.00 0.00 C ATOM 432 CE1 TYR A 31 -5.440 6.913 8.616 1.00 0.00 C ATOM 433 CE2 TYR A 31 -7.352 6.755 10.047 1.00 0.00 C ATOM 434 CZ TYR A 31 -6.052 6.406 9.744 1.00 0.00 C ATOM 435 OH TYR A 31 -5.362 5.550 10.571 1.00 0.00 O ATOM 0 H TYR A 31 -8.346 10.589 5.220 1.00 0.00 H new ATOM 0 HA TYR A 31 -7.490 7.963 5.473 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -7.684 10.039 7.134 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -9.190 9.266 7.588 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -5.652 8.168 6.909 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -9.057 7.887 9.454 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -4.422 6.638 8.381 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -7.829 6.357 10.931 1.00 0.00 H new ATOM 0 HH TYR A 31 -5.936 5.286 11.320 1.00 0.00 H new ATOM 445 N ASN A 32 -10.766 8.291 5.525 1.00 0.00 N ATOM 446 CA ASN A 32 -12.021 7.555 5.430 1.00 0.00 C ATOM 447 C ASN A 32 -11.998 6.589 4.249 1.00 0.00 C ATOM 448 O ASN A 32 -12.342 5.416 4.386 1.00 0.00 O ATOM 449 CB ASN A 32 -13.195 8.525 5.286 1.00 0.00 C ATOM 450 CG ASN A 32 -13.500 9.259 6.578 1.00 0.00 C ATOM 451 OD1 ASN A 32 -12.778 9.127 7.565 1.00 0.00 O ATOM 452 ND2 ASN A 32 -14.575 10.039 6.575 1.00 0.00 N ATOM 0 H ASN A 32 -10.868 9.305 5.490 1.00 0.00 H new ATOM 0 HA ASN A 32 -12.145 6.978 6.346 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -12.970 9.250 4.504 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -14.080 7.975 4.966 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -14.830 10.559 7.415 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -15.145 10.118 5.733 1.00 0.00 H new ATOM 459 N GLY A 33 -11.587 7.091 3.089 1.00 0.00 N ATOM 460 CA GLY A 33 -11.525 6.260 1.901 1.00 0.00 C ATOM 461 C GLY A 33 -10.681 5.018 2.106 1.00 0.00 C ATOM 462 O GLY A 33 -11.115 3.906 1.801 1.00 0.00 O ATOM 0 H GLY A 33 -11.296 8.059 2.951 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -12.535 5.966 1.614 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -11.115 6.842 1.075 1.00 0.00 H new ATOM 466 N PHE A 34 -9.471 5.205 2.622 1.00 0.00 N ATOM 467 CA PHE A 34 -8.563 4.090 2.865 1.00 0.00 C ATOM 468 C PHE A 34 -9.225 3.030 3.740 1.00 0.00 C ATOM 469 O PHE A 34 -8.776 1.884 3.794 1.00 0.00 O ATOM 470 CB PHE A 34 -7.278 4.588 3.531 1.00 0.00 C ATOM 471 CG PHE A 34 -6.295 3.492 3.831 1.00 0.00 C ATOM 472 CD1 PHE A 34 -5.763 2.722 2.810 1.00 0.00 C ATOM 473 CD2 PHE A 34 -5.904 3.232 5.134 1.00 0.00 C ATOM 474 CE1 PHE A 34 -4.859 1.713 3.083 1.00 0.00 C ATOM 475 CE2 PHE A 34 -5.000 2.225 5.414 1.00 0.00 C ATOM 476 CZ PHE A 34 -4.476 1.464 4.387 1.00 0.00 C ATOM 0 H PHE A 34 -9.096 6.118 2.880 1.00 0.00 H new ATOM 0 HA PHE A 34 -8.315 3.639 1.904 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -6.803 5.323 2.882 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -7.534 5.100 4.459 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -6.058 2.912 1.789 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -6.311 3.823 5.941 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -4.452 1.119 2.278 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -4.703 2.033 6.435 1.00 0.00 H new ATOM 0 HZ PHE A 34 -3.769 0.677 4.603 1.00 0.00 H new ATOM 486 N LEU A 35 -10.294 3.420 4.425 1.00 0.00 N ATOM 487 CA LEU A 35 -11.019 2.504 5.299 1.00 0.00 C ATOM 488 C LEU A 35 -12.159 1.824 4.549 1.00 0.00 C ATOM 489 O LEU A 35 -12.410 0.633 4.730 1.00 0.00 O ATOM 490 CB LEU A 35 -11.568 3.255 6.514 1.00 0.00 C ATOM 491 CG LEU A 35 -10.537 3.693 7.555 1.00 0.00 C ATOM 492 CD1 LEU A 35 -11.177 4.609 8.586 1.00 0.00 C ATOM 493 CD2 LEU A 35 -9.913 2.481 8.230 1.00 0.00 C ATOM 0 H LEU A 35 -10.678 4.364 4.392 1.00 0.00 H new ATOM 0 HA LEU A 35 -10.323 1.736 5.638 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -12.096 4.140 6.160 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -12.304 2.620 7.006 1.00 0.00 H new ATOM 0 HG LEU A 35 -9.748 4.247 7.047 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -10.429 4.911 9.319 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -11.576 5.493 8.089 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -11.986 4.080 9.090 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -9.182 2.812 8.968 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -10.691 1.900 8.725 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -9.419 1.862 7.481 1.00 0.00 H new ATOM 505 N GLU A 36 -12.845 2.588 3.705 1.00 0.00 N ATOM 506 CA GLU A 36 -13.958 2.057 2.927 1.00 0.00 C ATOM 507 C GLU A 36 -13.476 0.996 1.942 1.00 0.00 C ATOM 508 O GLU A 36 -14.239 0.119 1.536 1.00 0.00 O ATOM 509 CB GLU A 36 -14.665 3.185 2.172 1.00 0.00 C ATOM 510 CG GLU A 36 -14.113 3.423 0.777 1.00 0.00 C ATOM 511 CD GLU A 36 -14.627 4.709 0.158 1.00 0.00 C ATOM 512 OE1 GLU A 36 -15.861 4.883 0.088 1.00 0.00 O ATOM 513 OE2 GLU A 36 -13.793 5.542 -0.257 1.00 0.00 O ATOM 0 H GLU A 36 -12.650 3.576 3.543 1.00 0.00 H new ATOM 0 HA GLU A 36 -14.662 1.594 3.618 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -15.727 2.951 2.098 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -14.580 4.106 2.749 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -13.024 3.455 0.822 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -14.381 2.583 0.136 1.00 0.00 H new ATOM 520 N ILE A 37 -12.206 1.084 1.562 1.00 0.00 N ATOM 521 CA ILE A 37 -11.621 0.131 0.626 1.00 0.00 C ATOM 522 C ILE A 37 -11.413 -1.229 1.284 1.00 0.00 C ATOM 523 O ILE A 37 -11.768 -2.263 0.719 1.00 0.00 O ATOM 524 CB ILE A 37 -10.274 0.636 0.077 1.00 0.00 C ATOM 525 CG1 ILE A 37 -10.459 1.976 -0.637 1.00 0.00 C ATOM 526 CG2 ILE A 37 -9.667 -0.393 -0.865 1.00 0.00 C ATOM 527 CD1 ILE A 37 -9.228 2.855 -0.602 1.00 0.00 C ATOM 0 H ILE A 37 -11.562 1.805 1.888 1.00 0.00 H new ATOM 0 HA ILE A 37 -12.324 0.028 -0.200 1.00 0.00 H new ATOM 0 HB ILE A 37 -9.590 0.783 0.913 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -10.733 1.790 -1.675 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -11.291 2.511 -0.178 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -8.715 -0.022 -1.245 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -9.504 -1.327 -0.327 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -10.347 -0.569 -1.699 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -9.432 3.788 -1.127 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -8.965 3.071 0.433 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -8.399 2.340 -1.087 1.00 0.00 H new ATOM 539 N MET A 38 -10.836 -1.218 2.481 1.00 0.00 N ATOM 540 CA MET A 38 -10.583 -2.451 3.217 1.00 0.00 C ATOM 541 C MET A 38 -11.853 -3.289 3.328 1.00 0.00 C ATOM 542 O MET A 38 -11.834 -4.498 3.098 1.00 0.00 O ATOM 543 CB MET A 38 -10.043 -2.135 4.613 1.00 0.00 C ATOM 544 CG MET A 38 -8.529 -2.005 4.664 1.00 0.00 C ATOM 545 SD MET A 38 -7.701 -3.596 4.847 1.00 0.00 S ATOM 546 CE MET A 38 -7.247 -3.938 3.148 1.00 0.00 C ATOM 0 H MET A 38 -10.535 -0.370 2.961 1.00 0.00 H new ATOM 0 HA MET A 38 -9.837 -3.026 2.668 1.00 0.00 H new ATOM 0 HB2 MET A 38 -10.491 -1.206 4.965 1.00 0.00 H new ATOM 0 HB3 MET A 38 -10.355 -2.921 5.301 1.00 0.00 H new ATOM 0 HG2 MET A 38 -8.179 -1.520 3.753 1.00 0.00 H new ATOM 0 HG3 MET A 38 -8.252 -1.358 5.496 1.00 0.00 H new ATOM 0 HE1 MET A 38 -7.627 -4.918 2.860 1.00 0.00 H new ATOM 0 HE2 MET A 38 -7.676 -3.177 2.496 1.00 0.00 H new ATOM 0 HE3 MET A 38 -6.161 -3.927 3.052 1.00 0.00 H new ATOM 556 N LYS A 39 -12.956 -2.638 3.684 1.00 0.00 N ATOM 557 CA LYS A 39 -14.236 -3.322 3.825 1.00 0.00 C ATOM 558 C LYS A 39 -14.496 -4.242 2.636 1.00 0.00 C ATOM 559 O LYS A 39 -14.928 -5.382 2.805 1.00 0.00 O ATOM 560 CB LYS A 39 -15.371 -2.303 3.951 1.00 0.00 C ATOM 561 CG LYS A 39 -15.183 -1.323 5.097 1.00 0.00 C ATOM 562 CD LYS A 39 -16.472 -0.584 5.416 1.00 0.00 C ATOM 563 CE LYS A 39 -16.467 -0.042 6.836 1.00 0.00 C ATOM 564 NZ LYS A 39 -16.567 -1.131 7.847 1.00 0.00 N ATOM 0 H LYS A 39 -12.989 -1.638 3.880 1.00 0.00 H new ATOM 0 HA LYS A 39 -14.197 -3.928 4.730 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -15.454 -1.746 3.018 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -16.312 -2.835 4.089 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -14.841 -1.859 5.983 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -14.405 -0.605 4.839 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -16.605 0.238 4.712 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -17.320 -1.256 5.285 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -15.552 0.527 7.004 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -17.300 0.649 6.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -16.897 -0.736 8.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -17.242 -1.850 7.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -15.633 -1.568 7.980 1.00 0.00 H new ATOM 578 N GLU A 40 -14.227 -3.740 1.435 1.00 0.00 N ATOM 579 CA GLU A 40 -14.432 -4.518 0.219 1.00 0.00 C ATOM 580 C GLU A 40 -13.786 -5.896 0.340 1.00 0.00 C ATOM 581 O GLU A 40 -14.468 -6.920 0.297 1.00 0.00 O ATOM 582 CB GLU A 40 -13.857 -3.778 -0.990 1.00 0.00 C ATOM 583 CG GLU A 40 -14.533 -2.445 -1.265 1.00 0.00 C ATOM 584 CD GLU A 40 -13.984 -1.756 -2.499 1.00 0.00 C ATOM 585 OE1 GLU A 40 -12.749 -1.591 -2.585 1.00 0.00 O ATOM 586 OE2 GLU A 40 -14.788 -1.381 -3.378 1.00 0.00 O ATOM 0 H GLU A 40 -13.867 -2.799 1.278 1.00 0.00 H new ATOM 0 HA GLU A 40 -15.505 -4.649 0.079 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -12.792 -3.610 -0.830 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -13.950 -4.412 -1.872 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -15.604 -2.604 -1.389 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -14.405 -1.792 -0.402 1.00 0.00 H new ATOM 593 N PHE A 41 -12.465 -5.912 0.490 1.00 0.00 N ATOM 594 CA PHE A 41 -11.726 -7.163 0.616 1.00 0.00 C ATOM 595 C PHE A 41 -12.297 -8.022 1.740 1.00 0.00 C ATOM 596 O PHE A 41 -12.332 -9.248 1.644 1.00 0.00 O ATOM 597 CB PHE A 41 -10.245 -6.880 0.877 1.00 0.00 C ATOM 598 CG PHE A 41 -9.406 -8.122 0.978 1.00 0.00 C ATOM 599 CD1 PHE A 41 -9.454 -8.915 2.114 1.00 0.00 C ATOM 600 CD2 PHE A 41 -8.571 -8.497 -0.061 1.00 0.00 C ATOM 601 CE1 PHE A 41 -8.683 -10.057 2.210 1.00 0.00 C ATOM 602 CE2 PHE A 41 -7.798 -9.639 0.029 1.00 0.00 C ATOM 603 CZ PHE A 41 -7.855 -10.421 1.166 1.00 0.00 C ATOM 0 H PHE A 41 -11.885 -5.074 0.527 1.00 0.00 H new ATOM 0 HA PHE A 41 -11.825 -7.711 -0.321 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -9.856 -6.253 0.075 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -10.150 -6.311 1.801 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -10.101 -8.637 2.933 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -8.523 -7.890 -0.953 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -8.728 -10.665 3.101 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -7.150 -9.920 -0.788 1.00 0.00 H new ATOM 0 HZ PHE A 41 -7.254 -11.315 1.239 1.00 0.00 H new ATOM 613 N LYS A 42 -12.742 -7.368 2.808 1.00 0.00 N ATOM 614 CA LYS A 42 -13.313 -8.069 3.952 1.00 0.00 C ATOM 615 C LYS A 42 -14.614 -8.767 3.569 1.00 0.00 C ATOM 616 O LYS A 42 -14.967 -9.799 4.139 1.00 0.00 O ATOM 617 CB LYS A 42 -13.565 -7.092 5.102 1.00 0.00 C ATOM 618 CG LYS A 42 -12.375 -6.927 6.032 1.00 0.00 C ATOM 619 CD LYS A 42 -11.429 -5.844 5.541 1.00 0.00 C ATOM 620 CE LYS A 42 -10.262 -5.648 6.496 1.00 0.00 C ATOM 621 NZ LYS A 42 -9.274 -6.757 6.399 1.00 0.00 N ATOM 0 H LYS A 42 -12.718 -6.353 2.905 1.00 0.00 H new ATOM 0 HA LYS A 42 -12.598 -8.825 4.276 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -13.830 -6.119 4.689 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -14.422 -7.438 5.680 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -12.726 -6.678 7.033 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -11.838 -7.873 6.109 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -11.052 -6.110 4.553 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -11.973 -4.906 5.433 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -9.768 -4.701 6.276 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -10.636 -5.583 7.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -8.494 -6.586 7.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -9.739 -7.657 6.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -8.898 -6.803 5.430 1.00 0.00 H new ATOM 635 N SER A 43 -15.323 -8.197 2.600 1.00 0.00 N ATOM 636 CA SER A 43 -16.586 -8.763 2.143 1.00 0.00 C ATOM 637 C SER A 43 -16.375 -9.643 0.915 1.00 0.00 C ATOM 638 O SER A 43 -17.312 -9.917 0.166 1.00 0.00 O ATOM 639 CB SER A 43 -17.582 -7.647 1.818 1.00 0.00 C ATOM 640 OG SER A 43 -18.223 -7.178 2.992 1.00 0.00 O ATOM 0 H SER A 43 -15.044 -7.343 2.116 1.00 0.00 H new ATOM 0 HA SER A 43 -16.990 -9.380 2.946 1.00 0.00 H new ATOM 0 HB2 SER A 43 -17.063 -6.823 1.329 1.00 0.00 H new ATOM 0 HB3 SER A 43 -18.329 -8.015 1.114 1.00 0.00 H new ATOM 0 HG SER A 43 -18.853 -6.465 2.758 1.00 0.00 H new ATOM 646 N GLN A 44 -15.136 -10.083 0.716 1.00 0.00 N ATOM 647 CA GLN A 44 -14.801 -10.932 -0.420 1.00 0.00 C ATOM 648 C GLN A 44 -15.109 -10.226 -1.737 1.00 0.00 C ATOM 649 O GLN A 44 -15.392 -10.871 -2.747 1.00 0.00 O ATOM 650 CB GLN A 44 -15.570 -12.252 -0.343 1.00 0.00 C ATOM 651 CG GLN A 44 -15.029 -13.211 0.705 1.00 0.00 C ATOM 652 CD GLN A 44 -13.973 -14.146 0.150 1.00 0.00 C ATOM 653 OE1 GLN A 44 -13.626 -14.080 -1.029 1.00 0.00 O ATOM 654 NE2 GLN A 44 -13.455 -15.025 1.000 1.00 0.00 N ATOM 0 H GLN A 44 -14.349 -9.865 1.327 1.00 0.00 H new ATOM 0 HA GLN A 44 -13.732 -11.141 -0.382 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -16.617 -12.041 -0.124 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -15.540 -12.738 -1.318 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -14.605 -12.640 1.531 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -15.851 -13.799 1.113 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -13.772 -15.045 1.969 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -12.740 -15.680 0.684 1.00 0.00 H new ATOM 663 N SER A 45 -15.053 -8.898 -1.718 1.00 0.00 N ATOM 664 CA SER A 45 -15.331 -8.104 -2.909 1.00 0.00 C ATOM 665 C SER A 45 -14.086 -7.984 -3.784 1.00 0.00 C ATOM 666 O SER A 45 -14.173 -8.007 -5.012 1.00 0.00 O ATOM 667 CB SER A 45 -15.828 -6.712 -2.516 1.00 0.00 C ATOM 668 OG SER A 45 -16.947 -6.796 -1.650 1.00 0.00 O ATOM 0 H SER A 45 -14.818 -8.349 -0.891 1.00 0.00 H new ATOM 0 HA SER A 45 -16.109 -8.611 -3.480 1.00 0.00 H new ATOM 0 HB2 SER A 45 -15.025 -6.161 -2.026 1.00 0.00 H new ATOM 0 HB3 SER A 45 -16.098 -6.153 -3.412 1.00 0.00 H new ATOM 0 HG SER A 45 -17.245 -5.893 -1.412 1.00 0.00 H new ATOM 674 N ILE A 46 -12.930 -7.856 -3.142 1.00 0.00 N ATOM 675 CA ILE A 46 -11.668 -7.733 -3.861 1.00 0.00 C ATOM 676 C ILE A 46 -10.607 -8.656 -3.270 1.00 0.00 C ATOM 677 O ILE A 46 -10.848 -9.337 -2.273 1.00 0.00 O ATOM 678 CB ILE A 46 -11.144 -6.285 -3.835 1.00 0.00 C ATOM 679 CG1 ILE A 46 -10.991 -5.800 -2.392 1.00 0.00 C ATOM 680 CG2 ILE A 46 -12.080 -5.369 -4.610 1.00 0.00 C ATOM 681 CD1 ILE A 46 -10.356 -4.432 -2.278 1.00 0.00 C ATOM 0 H ILE A 46 -12.841 -7.835 -2.126 1.00 0.00 H new ATOM 0 HA ILE A 46 -11.864 -8.021 -4.894 1.00 0.00 H new ATOM 0 HB ILE A 46 -10.164 -6.261 -4.313 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -11.973 -5.776 -1.919 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -10.388 -6.519 -1.838 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -11.696 -4.349 -4.582 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -12.143 -5.705 -5.645 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -13.072 -5.396 -4.158 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -10.279 -4.153 -1.227 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -9.360 -4.455 -2.721 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -10.970 -3.701 -2.804 1.00 0.00 H new ATOM 693 N ASP A 47 -9.433 -8.671 -3.891 1.00 0.00 N ATOM 694 CA ASP A 47 -8.333 -9.508 -3.425 1.00 0.00 C ATOM 695 C ASP A 47 -7.101 -8.664 -3.115 1.00 0.00 C ATOM 696 O ASP A 47 -7.117 -7.442 -3.269 1.00 0.00 O ATOM 697 CB ASP A 47 -7.990 -10.567 -4.474 1.00 0.00 C ATOM 698 CG ASP A 47 -9.155 -11.493 -4.764 1.00 0.00 C ATOM 699 OD1 ASP A 47 -9.520 -12.285 -3.871 1.00 0.00 O ATOM 700 OD2 ASP A 47 -9.702 -11.426 -5.886 1.00 0.00 O ATOM 0 H ASP A 47 -9.218 -8.114 -4.718 1.00 0.00 H new ATOM 0 HA ASP A 47 -8.651 -10.005 -2.508 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -7.683 -10.074 -5.397 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -7.140 -11.155 -4.128 1.00 0.00 H new ATOM 705 N THR A 48 -6.032 -9.323 -2.677 1.00 0.00 N ATOM 706 CA THR A 48 -4.793 -8.633 -2.344 1.00 0.00 C ATOM 707 C THR A 48 -4.445 -7.586 -3.396 1.00 0.00 C ATOM 708 O THR A 48 -4.316 -6.397 -3.105 1.00 0.00 O ATOM 709 CB THR A 48 -3.618 -9.621 -2.212 1.00 0.00 C ATOM 710 OG1 THR A 48 -3.499 -10.062 -0.855 1.00 0.00 O ATOM 711 CG2 THR A 48 -2.315 -8.975 -2.657 1.00 0.00 C ATOM 0 H THR A 48 -6.000 -10.334 -2.545 1.00 0.00 H new ATOM 0 HA THR A 48 -4.955 -8.140 -1.385 1.00 0.00 H new ATOM 0 HB THR A 48 -3.818 -10.478 -2.856 1.00 0.00 H new ATOM 0 HG1 THR A 48 -2.751 -10.691 -0.780 1.00 0.00 H new ATOM 0 HG21 THR A 48 -1.500 -9.692 -2.555 1.00 0.00 H new ATOM 0 HG22 THR A 48 -2.399 -8.667 -3.699 1.00 0.00 H new ATOM 0 HG23 THR A 48 -2.111 -8.103 -2.036 1.00 0.00 H new ATOM 719 N PRO A 49 -4.291 -8.035 -4.650 1.00 0.00 N ATOM 720 CA PRO A 49 -3.958 -7.152 -5.772 1.00 0.00 C ATOM 721 C PRO A 49 -5.110 -6.225 -6.142 1.00 0.00 C ATOM 722 O PRO A 49 -4.954 -5.320 -6.960 1.00 0.00 O ATOM 723 CB PRO A 49 -3.667 -8.127 -6.916 1.00 0.00 C ATOM 724 CG PRO A 49 -4.435 -9.356 -6.572 1.00 0.00 C ATOM 725 CD PRO A 49 -4.430 -9.440 -5.070 1.00 0.00 C ATOM 0 HA PRO A 49 -3.125 -6.489 -5.536 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -3.984 -7.718 -7.875 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -2.600 -8.336 -6.996 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -5.453 -9.300 -6.956 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.975 -10.240 -7.014 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -5.350 -9.884 -4.689 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.605 -10.052 -4.705 1.00 0.00 H new ATOM 733 N GLY A 50 -6.269 -6.457 -5.533 1.00 0.00 N ATOM 734 CA GLY A 50 -7.432 -5.634 -5.812 1.00 0.00 C ATOM 735 C GLY A 50 -7.505 -4.412 -4.917 1.00 0.00 C ATOM 736 O GLY A 50 -7.980 -3.356 -5.333 1.00 0.00 O ATOM 0 H GLY A 50 -6.423 -7.200 -4.851 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.407 -5.316 -6.854 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.335 -6.230 -5.682 1.00 0.00 H new ATOM 740 N VAL A 51 -7.033 -4.556 -3.682 1.00 0.00 N ATOM 741 CA VAL A 51 -7.048 -3.456 -2.726 1.00 0.00 C ATOM 742 C VAL A 51 -5.960 -2.437 -3.043 1.00 0.00 C ATOM 743 O VAL A 51 -6.105 -1.248 -2.756 1.00 0.00 O ATOM 744 CB VAL A 51 -6.856 -3.963 -1.284 1.00 0.00 C ATOM 745 CG1 VAL A 51 -5.597 -4.810 -1.179 1.00 0.00 C ATOM 746 CG2 VAL A 51 -6.804 -2.795 -0.311 1.00 0.00 C ATOM 0 H VAL A 51 -6.636 -5.423 -3.321 1.00 0.00 H new ATOM 0 HA VAL A 51 -8.024 -2.978 -2.809 1.00 0.00 H new ATOM 0 HB VAL A 51 -7.709 -4.588 -1.021 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.478 -5.159 -0.153 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.679 -5.667 -1.847 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.731 -4.211 -1.461 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -6.668 -3.172 0.703 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.971 -2.142 -0.570 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.736 -2.233 -0.367 1.00 0.00 H new ATOM 756 N ILE A 52 -4.870 -2.910 -3.638 1.00 0.00 N ATOM 757 CA ILE A 52 -3.757 -2.039 -3.997 1.00 0.00 C ATOM 758 C ILE A 52 -4.160 -1.052 -5.087 1.00 0.00 C ATOM 759 O ILE A 52 -3.688 0.084 -5.116 1.00 0.00 O ATOM 760 CB ILE A 52 -2.540 -2.850 -4.479 1.00 0.00 C ATOM 761 CG1 ILE A 52 -2.023 -3.751 -3.355 1.00 0.00 C ATOM 762 CG2 ILE A 52 -1.441 -1.918 -4.966 1.00 0.00 C ATOM 763 CD1 ILE A 52 -1.126 -4.868 -3.841 1.00 0.00 C ATOM 0 H ILE A 52 -4.734 -3.891 -3.882 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.484 -1.490 -3.096 1.00 0.00 H new ATOM 0 HB ILE A 52 -2.849 -3.481 -5.312 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.475 -3.143 -2.636 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.873 -4.182 -2.826 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.588 -2.507 -5.303 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.815 -1.315 -5.793 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.131 -1.264 -4.151 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.797 -5.466 -2.991 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.677 -5.500 -4.538 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.257 -4.444 -4.344 1.00 0.00 H new ATOM 775 N ARG A 53 -5.038 -1.494 -5.982 1.00 0.00 N ATOM 776 CA ARG A 53 -5.505 -0.650 -7.075 1.00 0.00 C ATOM 777 C ARG A 53 -6.027 0.683 -6.547 1.00 0.00 C ATOM 778 O ARG A 53 -5.649 1.747 -7.038 1.00 0.00 O ATOM 779 CB ARG A 53 -6.605 -1.363 -7.864 1.00 0.00 C ATOM 780 CG ARG A 53 -7.357 -0.452 -8.821 1.00 0.00 C ATOM 781 CD ARG A 53 -8.383 -1.225 -9.635 1.00 0.00 C ATOM 782 NE ARG A 53 -8.706 -0.551 -10.889 1.00 0.00 N ATOM 783 CZ ARG A 53 -7.858 -0.444 -11.906 1.00 0.00 C ATOM 784 NH1 ARG A 53 -6.642 -0.965 -11.816 1.00 0.00 N ATOM 785 NH2 ARG A 53 -8.225 0.184 -13.015 1.00 0.00 N ATOM 0 H ARG A 53 -5.440 -2.431 -5.971 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.661 -0.455 -7.736 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.162 -2.183 -8.429 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -7.314 -1.805 -7.164 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -7.857 0.336 -8.258 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -6.650 0.035 -9.493 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -8.000 -2.223 -9.848 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -9.292 -1.352 -9.047 1.00 0.00 H new ATOM 0 HE ARG A 53 -9.634 -0.140 -10.990 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -6.356 -1.449 -10.965 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -5.992 -0.882 -12.598 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -9.160 0.586 -13.088 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -7.573 0.265 -13.795 1.00 0.00 H new ATOM 799 N ARG A 54 -6.898 0.617 -5.545 1.00 0.00 N ATOM 800 CA ARG A 54 -7.473 1.818 -4.952 1.00 0.00 C ATOM 801 C ARG A 54 -6.417 2.600 -4.176 1.00 0.00 C ATOM 802 O ARG A 54 -6.161 3.770 -4.461 1.00 0.00 O ATOM 803 CB ARG A 54 -8.633 1.450 -4.025 1.00 0.00 C ATOM 804 CG ARG A 54 -9.793 0.776 -4.740 1.00 0.00 C ATOM 805 CD ARG A 54 -10.798 1.795 -5.254 1.00 0.00 C ATOM 806 NE ARG A 54 -11.529 1.303 -6.419 1.00 0.00 N ATOM 807 CZ ARG A 54 -11.051 1.342 -7.657 1.00 0.00 C ATOM 808 NH1 ARG A 54 -9.848 1.847 -7.891 1.00 0.00 N ATOM 809 NH2 ARG A 54 -11.777 0.874 -8.665 1.00 0.00 N ATOM 0 H ARG A 54 -7.221 -0.256 -5.127 1.00 0.00 H new ATOM 0 HA ARG A 54 -7.847 2.448 -5.759 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -8.265 0.787 -3.242 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -8.995 2.353 -3.534 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -9.414 0.185 -5.574 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -10.290 0.085 -4.059 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -11.504 2.040 -4.460 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -10.278 2.717 -5.515 1.00 0.00 H new ATOM 0 HE ARG A 54 -12.458 0.908 -6.273 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -9.287 2.207 -7.119 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -9.483 1.876 -8.843 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -12.703 0.484 -8.489 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -11.409 0.904 -9.616 1.00 0.00 H new ATOM 823 N VAL A 55 -5.807 1.946 -3.192 1.00 0.00 N ATOM 824 CA VAL A 55 -4.779 2.579 -2.375 1.00 0.00 C ATOM 825 C VAL A 55 -3.804 3.374 -3.237 1.00 0.00 C ATOM 826 O VAL A 55 -3.202 4.344 -2.777 1.00 0.00 O ATOM 827 CB VAL A 55 -3.992 1.537 -1.558 1.00 0.00 C ATOM 828 CG1 VAL A 55 -2.829 2.197 -0.831 1.00 0.00 C ATOM 829 CG2 VAL A 55 -4.910 0.826 -0.576 1.00 0.00 C ATOM 0 H VAL A 55 -6.007 0.978 -2.942 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.290 3.256 -1.691 1.00 0.00 H new ATOM 0 HB VAL A 55 -3.586 0.793 -2.244 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.284 1.446 -0.259 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.159 2.656 -1.558 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -3.210 2.962 -0.155 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.337 0.093 -0.007 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.347 1.555 0.107 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.705 0.319 -1.123 1.00 0.00 H new ATOM 839 N SER A 56 -3.655 2.957 -4.490 1.00 0.00 N ATOM 840 CA SER A 56 -2.751 3.629 -5.417 1.00 0.00 C ATOM 841 C SER A 56 -3.293 5.001 -5.806 1.00 0.00 C ATOM 842 O SER A 56 -2.656 6.024 -5.558 1.00 0.00 O ATOM 843 CB SER A 56 -2.544 2.775 -6.669 1.00 0.00 C ATOM 844 OG SER A 56 -1.370 3.163 -7.362 1.00 0.00 O ATOM 0 H SER A 56 -4.148 2.157 -4.887 1.00 0.00 H new ATOM 0 HA SER A 56 -1.792 3.766 -4.917 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.474 1.724 -6.389 1.00 0.00 H new ATOM 0 HB3 SER A 56 -3.408 2.873 -7.327 1.00 0.00 H new ATOM 0 HG SER A 56 -1.259 2.601 -8.157 1.00 0.00 H new ATOM 850 N GLN A 57 -4.473 5.012 -6.417 1.00 0.00 N ATOM 851 CA GLN A 57 -5.101 6.257 -6.842 1.00 0.00 C ATOM 852 C GLN A 57 -5.228 7.229 -5.673 1.00 0.00 C ATOM 853 O GLN A 57 -4.877 8.404 -5.789 1.00 0.00 O ATOM 854 CB GLN A 57 -6.480 5.979 -7.441 1.00 0.00 C ATOM 855 CG GLN A 57 -7.593 5.926 -6.407 1.00 0.00 C ATOM 856 CD GLN A 57 -8.944 5.609 -7.019 1.00 0.00 C ATOM 857 OE1 GLN A 57 -9.085 5.543 -8.240 1.00 0.00 O ATOM 858 NE2 GLN A 57 -9.946 5.409 -6.171 1.00 0.00 N ATOM 0 H GLN A 57 -5.013 4.173 -6.629 1.00 0.00 H new ATOM 0 HA GLN A 57 -4.468 6.713 -7.603 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -6.712 6.753 -8.173 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -6.449 5.031 -7.978 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -7.352 5.172 -5.658 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -7.649 6.884 -5.889 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -9.784 5.474 -5.166 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -10.878 5.191 -6.525 1.00 0.00 H new ATOM 867 N LEU A 58 -5.731 6.732 -4.549 1.00 0.00 N ATOM 868 CA LEU A 58 -5.904 7.557 -3.358 1.00 0.00 C ATOM 869 C LEU A 58 -4.641 8.360 -3.063 1.00 0.00 C ATOM 870 O LEU A 58 -4.675 9.589 -3.001 1.00 0.00 O ATOM 871 CB LEU A 58 -6.259 6.681 -2.155 1.00 0.00 C ATOM 872 CG LEU A 58 -6.305 7.389 -0.800 1.00 0.00 C ATOM 873 CD1 LEU A 58 -7.670 8.018 -0.573 1.00 0.00 C ATOM 874 CD2 LEU A 58 -5.970 6.417 0.321 1.00 0.00 C ATOM 0 H LEU A 58 -6.026 5.762 -4.437 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.720 8.255 -3.545 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -7.232 6.225 -2.337 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -5.533 5.870 -2.094 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.558 8.183 -0.800 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -7.684 8.517 0.396 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -7.870 8.746 -1.359 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -8.436 7.243 -0.593 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.008 6.938 1.278 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -6.693 5.601 0.323 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.969 6.014 0.166 1.00 0.00 H new ATOM 886 N PHE A 59 -3.528 7.657 -2.884 1.00 0.00 N ATOM 887 CA PHE A 59 -2.253 8.304 -2.597 1.00 0.00 C ATOM 888 C PHE A 59 -1.437 8.487 -3.873 1.00 0.00 C ATOM 889 O PHE A 59 -0.212 8.361 -3.864 1.00 0.00 O ATOM 890 CB PHE A 59 -1.456 7.481 -1.582 1.00 0.00 C ATOM 891 CG PHE A 59 -2.194 7.237 -0.297 1.00 0.00 C ATOM 892 CD1 PHE A 59 -3.013 8.215 0.244 1.00 0.00 C ATOM 893 CD2 PHE A 59 -2.070 6.028 0.369 1.00 0.00 C ATOM 894 CE1 PHE A 59 -3.692 7.993 1.427 1.00 0.00 C ATOM 895 CE2 PHE A 59 -2.748 5.800 1.552 1.00 0.00 C ATOM 896 CZ PHE A 59 -3.561 6.784 2.081 1.00 0.00 C ATOM 0 H PHE A 59 -3.483 6.639 -2.933 1.00 0.00 H new ATOM 0 HA PHE A 59 -2.460 9.287 -2.175 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -1.194 6.522 -2.029 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -0.521 7.996 -1.363 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.122 9.161 -0.265 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -1.437 5.255 -0.041 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -4.325 8.765 1.840 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -2.642 4.854 2.062 1.00 0.00 H new ATOM 0 HZ PHE A 59 -4.093 6.608 3.004 1.00 0.00 H new ATOM 906 N HIS A 60 -2.124 8.786 -4.971 1.00 0.00 N ATOM 907 CA HIS A 60 -1.464 8.987 -6.256 1.00 0.00 C ATOM 908 C HIS A 60 -0.350 10.023 -6.138 1.00 0.00 C ATOM 909 O HIS A 60 0.694 9.901 -6.777 1.00 0.00 O ATOM 910 CB HIS A 60 -2.478 9.429 -7.311 1.00 0.00 C ATOM 911 CG HIS A 60 -3.090 10.767 -7.030 1.00 0.00 C ATOM 912 ND1 HIS A 60 -3.519 11.319 -5.871 1.00 0.00 N flip ATOM 913 CD2 HIS A 60 -3.323 11.708 -8.011 1.00 0.00 C flip ATOM 914 CE1 HIS A 60 -3.997 12.571 -6.169 1.00 0.00 C flip ATOM 915 NE2 HIS A 60 -3.867 12.782 -7.466 1.00 0.00 N flip ATOM 0 H HIS A 60 -3.138 8.894 -4.997 1.00 0.00 H new ATOM 0 HA HIS A 60 -1.023 8.038 -6.562 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -1.988 9.460 -8.284 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -3.270 8.683 -7.377 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -3.096 11.586 -9.060 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -4.412 13.270 -5.458 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -4.140 13.630 -7.963 1.00 0.00 H new ATOM 924 N GLU A 61 -0.582 11.043 -5.317 1.00 0.00 N ATOM 925 CA GLU A 61 0.401 12.101 -5.118 1.00 0.00 C ATOM 926 C GLU A 61 1.519 11.637 -4.188 1.00 0.00 C ATOM 927 O GLU A 61 2.646 12.128 -4.261 1.00 0.00 O ATOM 928 CB GLU A 61 -0.270 13.350 -4.543 1.00 0.00 C ATOM 929 CG GLU A 61 -1.129 14.097 -5.549 1.00 0.00 C ATOM 930 CD GLU A 61 -1.885 15.254 -4.926 1.00 0.00 C ATOM 931 OE1 GLU A 61 -1.266 16.315 -4.698 1.00 0.00 O ATOM 932 OE2 GLU A 61 -3.096 15.099 -4.665 1.00 0.00 O ATOM 0 H GLU A 61 -1.441 11.159 -4.780 1.00 0.00 H new ATOM 0 HA GLU A 61 0.836 12.345 -6.087 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -0.889 13.061 -3.693 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.499 14.023 -4.164 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.496 14.472 -6.353 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -1.840 13.404 -6.000 1.00 0.00 H new ATOM 939 N HIS A 62 1.198 10.689 -3.314 1.00 0.00 N ATOM 940 CA HIS A 62 2.174 10.157 -2.369 1.00 0.00 C ATOM 941 C HIS A 62 2.605 8.749 -2.768 1.00 0.00 C ATOM 942 O HIS A 62 2.067 7.750 -2.290 1.00 0.00 O ATOM 943 CB HIS A 62 1.591 10.144 -0.956 1.00 0.00 C ATOM 944 CG HIS A 62 0.944 11.436 -0.562 1.00 0.00 C ATOM 945 ND1 HIS A 62 -0.216 12.004 -0.967 1.00 0.00 N flip ATOM 946 CD2 HIS A 62 1.497 12.306 0.353 1.00 0.00 C flip ATOM 947 CE1 HIS A 62 -0.342 13.195 -0.294 1.00 0.00 C flip ATOM 948 NE2 HIS A 62 0.704 13.354 0.496 1.00 0.00 N flip ATOM 0 H HIS A 62 0.270 10.273 -3.240 1.00 0.00 H new ATOM 0 HA HIS A 62 3.051 10.804 -2.386 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.856 9.342 -0.883 1.00 0.00 H new ATOM 0 HB3 HIS A 62 2.386 9.914 -0.246 1.00 0.00 H new ATOM 0 HD2 HIS A 62 2.432 12.155 0.872 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -1.163 13.889 -0.395 1.00 0.00 H new ATOM 0 HE2 HIS A 62 0.872 14.150 1.112 1.00 0.00 H new ATOM 957 N PRO A 63 3.599 8.666 -3.665 1.00 0.00 N ATOM 958 CA PRO A 63 4.125 7.386 -4.147 1.00 0.00 C ATOM 959 C PRO A 63 4.901 6.635 -3.071 1.00 0.00 C ATOM 960 O PRO A 63 5.036 5.413 -3.128 1.00 0.00 O ATOM 961 CB PRO A 63 5.056 7.793 -5.292 1.00 0.00 C ATOM 962 CG PRO A 63 5.465 9.189 -4.969 1.00 0.00 C ATOM 963 CD PRO A 63 4.287 9.816 -4.276 1.00 0.00 C ATOM 0 HA PRO A 63 3.328 6.706 -4.448 1.00 0.00 H new ATOM 0 HB2 PRO A 63 5.920 7.131 -5.354 1.00 0.00 H new ATOM 0 HB3 PRO A 63 4.546 7.742 -6.254 1.00 0.00 H new ATOM 0 HG2 PRO A 63 6.346 9.199 -4.327 1.00 0.00 H new ATOM 0 HG3 PRO A 63 5.724 9.739 -5.874 1.00 0.00 H new ATOM 0 HD2 PRO A 63 4.602 10.541 -3.526 1.00 0.00 H new ATOM 0 HD3 PRO A 63 3.642 10.344 -4.978 1.00 0.00 H new ATOM 971 N ASP A 64 5.410 7.374 -2.091 1.00 0.00 N ATOM 972 CA ASP A 64 6.172 6.777 -1.001 1.00 0.00 C ATOM 973 C ASP A 64 5.278 5.904 -0.126 1.00 0.00 C ATOM 974 O ASP A 64 5.719 4.888 0.412 1.00 0.00 O ATOM 975 CB ASP A 64 6.828 7.868 -0.152 1.00 0.00 C ATOM 976 CG ASP A 64 7.907 8.619 -0.907 1.00 0.00 C ATOM 977 OD1 ASP A 64 7.558 9.442 -1.779 1.00 0.00 O ATOM 978 OD2 ASP A 64 9.101 8.382 -0.627 1.00 0.00 O ATOM 0 H ASP A 64 5.309 8.387 -2.029 1.00 0.00 H new ATOM 0 HA ASP A 64 6.949 6.148 -1.436 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.066 8.572 0.182 1.00 0.00 H new ATOM 0 HB3 ASP A 64 7.260 7.418 0.742 1.00 0.00 H new ATOM 983 N LEU A 65 4.020 6.308 0.012 1.00 0.00 N ATOM 984 CA LEU A 65 3.062 5.563 0.822 1.00 0.00 C ATOM 985 C LEU A 65 2.567 4.325 0.080 1.00 0.00 C ATOM 986 O LEU A 65 2.562 3.222 0.627 1.00 0.00 O ATOM 987 CB LEU A 65 1.877 6.455 1.196 1.00 0.00 C ATOM 988 CG LEU A 65 2.118 7.448 2.333 1.00 0.00 C ATOM 989 CD1 LEU A 65 1.000 8.478 2.388 1.00 0.00 C ATOM 990 CD2 LEU A 65 2.238 6.718 3.663 1.00 0.00 C ATOM 0 H LEU A 65 3.640 7.147 -0.426 1.00 0.00 H new ATOM 0 HA LEU A 65 3.567 5.240 1.732 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.575 7.014 0.310 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.039 5.815 1.471 1.00 0.00 H new ATOM 0 HG LEU A 65 3.056 7.969 2.141 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.189 9.176 3.203 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.961 9.023 1.445 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.048 7.973 2.555 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.409 7.441 4.461 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.317 6.170 3.862 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.074 6.020 3.621 1.00 0.00 H new ATOM 1002 N ILE A 66 2.153 4.517 -1.168 1.00 0.00 N ATOM 1003 CA ILE A 66 1.660 3.416 -1.986 1.00 0.00 C ATOM 1004 C ILE A 66 2.602 2.218 -1.923 1.00 0.00 C ATOM 1005 O ILE A 66 2.162 1.069 -1.891 1.00 0.00 O ATOM 1006 CB ILE A 66 1.486 3.840 -3.456 1.00 0.00 C ATOM 1007 CG1 ILE A 66 0.488 4.996 -3.561 1.00 0.00 C ATOM 1008 CG2 ILE A 66 1.027 2.659 -4.298 1.00 0.00 C ATOM 1009 CD1 ILE A 66 0.326 5.528 -4.968 1.00 0.00 C ATOM 0 H ILE A 66 2.149 5.424 -1.634 1.00 0.00 H new ATOM 0 HA ILE A 66 0.689 3.133 -1.580 1.00 0.00 H new ATOM 0 HB ILE A 66 2.449 4.180 -3.837 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.482 4.662 -3.193 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.814 5.807 -2.910 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.909 2.975 -5.334 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.770 1.863 -4.244 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.073 2.291 -3.920 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.396 6.345 -4.967 1.00 0.00 H new ATOM 0 HD12 ILE A 66 1.287 5.893 -5.332 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.030 4.730 -5.620 1.00 0.00 H new ATOM 1021 N VAL A 67 3.902 2.496 -1.902 1.00 0.00 N ATOM 1022 CA VAL A 67 4.908 1.442 -1.839 1.00 0.00 C ATOM 1023 C VAL A 67 5.064 0.916 -0.417 1.00 0.00 C ATOM 1024 O VAL A 67 4.985 -0.288 -0.177 1.00 0.00 O ATOM 1025 CB VAL A 67 6.275 1.941 -2.344 1.00 0.00 C ATOM 1026 CG1 VAL A 67 7.341 0.874 -2.141 1.00 0.00 C ATOM 1027 CG2 VAL A 67 6.187 2.346 -3.807 1.00 0.00 C ATOM 0 H VAL A 67 4.283 3.442 -1.928 1.00 0.00 H new ATOM 0 HA VAL A 67 4.563 0.635 -2.485 1.00 0.00 H new ATOM 0 HB VAL A 67 6.558 2.819 -1.764 1.00 0.00 H new ATOM 0 HG11 VAL A 67 8.300 1.244 -2.504 1.00 0.00 H new ATOM 0 HG12 VAL A 67 7.421 0.637 -1.080 1.00 0.00 H new ATOM 0 HG13 VAL A 67 7.066 -0.024 -2.694 1.00 0.00 H new ATOM 0 HG21 VAL A 67 7.162 2.696 -4.147 1.00 0.00 H new ATOM 0 HG22 VAL A 67 5.881 1.487 -4.405 1.00 0.00 H new ATOM 0 HG23 VAL A 67 5.455 3.146 -3.920 1.00 0.00 H new ATOM 1037 N GLY A 68 5.287 1.828 0.525 1.00 0.00 N ATOM 1038 CA GLY A 68 5.451 1.436 1.912 1.00 0.00 C ATOM 1039 C GLY A 68 4.486 0.342 2.324 1.00 0.00 C ATOM 1040 O GLY A 68 4.848 -0.566 3.072 1.00 0.00 O ATOM 0 H GLY A 68 5.357 2.831 0.352 1.00 0.00 H new ATOM 0 HA2 GLY A 68 6.473 1.093 2.071 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.304 2.306 2.552 1.00 0.00 H new ATOM 1044 N PHE A 69 3.253 0.428 1.835 1.00 0.00 N ATOM 1045 CA PHE A 69 2.231 -0.561 2.159 1.00 0.00 C ATOM 1046 C PHE A 69 2.682 -1.961 1.752 1.00 0.00 C ATOM 1047 O PHE A 69 2.797 -2.855 2.588 1.00 0.00 O ATOM 1048 CB PHE A 69 0.915 -0.213 1.461 1.00 0.00 C ATOM 1049 CG PHE A 69 -0.070 -1.346 1.440 1.00 0.00 C ATOM 1050 CD1 PHE A 69 -0.701 -1.755 2.605 1.00 0.00 C ATOM 1051 CD2 PHE A 69 -0.366 -2.003 0.257 1.00 0.00 C ATOM 1052 CE1 PHE A 69 -1.608 -2.797 2.589 1.00 0.00 C ATOM 1053 CE2 PHE A 69 -1.273 -3.046 0.235 1.00 0.00 C ATOM 1054 CZ PHE A 69 -1.894 -3.444 1.403 1.00 0.00 C ATOM 0 H PHE A 69 2.937 1.172 1.213 1.00 0.00 H new ATOM 0 HA PHE A 69 2.076 -0.547 3.238 1.00 0.00 H new ATOM 0 HB2 PHE A 69 0.462 0.642 1.962 1.00 0.00 H new ATOM 0 HB3 PHE A 69 1.126 0.093 0.436 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -0.481 -1.253 3.536 1.00 0.00 H new ATOM 0 HD2 PHE A 69 0.117 -1.697 -0.659 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -2.093 -3.105 3.503 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -1.496 -3.549 -0.694 1.00 0.00 H new ATOM 0 HZ PHE A 69 -2.602 -4.260 1.389 1.00 0.00 H new ATOM 1064 N ASN A 70 2.934 -2.142 0.459 1.00 0.00 N ATOM 1065 CA ASN A 70 3.370 -3.433 -0.060 1.00 0.00 C ATOM 1066 C ASN A 70 4.719 -3.829 0.531 1.00 0.00 C ATOM 1067 O ASN A 70 4.965 -5.002 0.812 1.00 0.00 O ATOM 1068 CB ASN A 70 3.463 -3.387 -1.587 1.00 0.00 C ATOM 1069 CG ASN A 70 4.722 -2.691 -2.068 1.00 0.00 C ATOM 1070 OD1 ASN A 70 5.836 -3.105 -1.745 1.00 0.00 O ATOM 1071 ND2 ASN A 70 4.551 -1.628 -2.846 1.00 0.00 N ATOM 0 H ASN A 70 2.844 -1.412 -0.247 1.00 0.00 H new ATOM 0 HA ASN A 70 2.632 -4.181 0.230 1.00 0.00 H new ATOM 0 HB2 ASN A 70 3.440 -4.403 -1.981 1.00 0.00 H new ATOM 0 HB3 ASN A 70 2.590 -2.870 -1.986 1.00 0.00 H new ATOM 0 HD21 ASN A 70 5.361 -1.120 -3.201 1.00 0.00 H new ATOM 0 HD22 ASN A 70 3.609 -1.320 -3.089 1.00 0.00 H new ATOM 1078 N ALA A 71 5.590 -2.843 0.717 1.00 0.00 N ATOM 1079 CA ALA A 71 6.914 -3.088 1.277 1.00 0.00 C ATOM 1080 C ALA A 71 6.819 -3.846 2.597 1.00 0.00 C ATOM 1081 O ALA A 71 7.498 -4.854 2.795 1.00 0.00 O ATOM 1082 CB ALA A 71 7.655 -1.774 1.473 1.00 0.00 C ATOM 0 H ALA A 71 5.403 -1.867 0.488 1.00 0.00 H new ATOM 0 HA ALA A 71 7.472 -3.705 0.573 1.00 0.00 H new ATOM 0 HB1 ALA A 71 8.642 -1.972 1.892 1.00 0.00 H new ATOM 0 HB2 ALA A 71 7.763 -1.270 0.512 1.00 0.00 H new ATOM 0 HB3 ALA A 71 7.092 -1.137 2.156 1.00 0.00 H new ATOM 1088 N PHE A 72 5.974 -3.355 3.497 1.00 0.00 N ATOM 1089 CA PHE A 72 5.792 -3.986 4.799 1.00 0.00 C ATOM 1090 C PHE A 72 4.887 -5.209 4.689 1.00 0.00 C ATOM 1091 O PHE A 72 5.189 -6.271 5.236 1.00 0.00 O ATOM 1092 CB PHE A 72 5.200 -2.987 5.795 1.00 0.00 C ATOM 1093 CG PHE A 72 3.699 -2.984 5.821 1.00 0.00 C ATOM 1094 CD1 PHE A 72 3.001 -4.032 6.400 1.00 0.00 C ATOM 1095 CD2 PHE A 72 2.985 -1.934 5.267 1.00 0.00 C ATOM 1096 CE1 PHE A 72 1.619 -4.032 6.424 1.00 0.00 C ATOM 1097 CE2 PHE A 72 1.603 -1.928 5.288 1.00 0.00 C ATOM 1098 CZ PHE A 72 0.919 -2.979 5.868 1.00 0.00 C ATOM 0 H PHE A 72 5.404 -2.522 3.349 1.00 0.00 H new ATOM 0 HA PHE A 72 6.769 -4.310 5.158 1.00 0.00 H new ATOM 0 HB2 PHE A 72 5.572 -3.218 6.793 1.00 0.00 H new ATOM 0 HB3 PHE A 72 5.553 -1.986 5.547 1.00 0.00 H new ATOM 0 HD1 PHE A 72 3.543 -4.858 6.837 1.00 0.00 H new ATOM 0 HD2 PHE A 72 3.515 -1.110 4.813 1.00 0.00 H new ATOM 0 HE1 PHE A 72 1.087 -4.855 6.877 1.00 0.00 H new ATOM 0 HE2 PHE A 72 1.059 -1.103 4.852 1.00 0.00 H new ATOM 0 HZ PHE A 72 -0.161 -2.977 5.887 1.00 0.00 H new ATOM 1108 N LEU A 73 3.774 -5.052 3.981 1.00 0.00 N ATOM 1109 CA LEU A 73 2.823 -6.143 3.799 1.00 0.00 C ATOM 1110 C LEU A 73 3.526 -7.401 3.298 1.00 0.00 C ATOM 1111 O LEU A 73 4.248 -7.383 2.301 1.00 0.00 O ATOM 1112 CB LEU A 73 1.727 -5.731 2.814 1.00 0.00 C ATOM 1113 CG LEU A 73 0.498 -6.639 2.760 1.00 0.00 C ATOM 1114 CD1 LEU A 73 -0.553 -6.176 3.757 1.00 0.00 C ATOM 1115 CD2 LEU A 73 -0.079 -6.672 1.352 1.00 0.00 C ATOM 0 H LEU A 73 3.508 -4.180 3.524 1.00 0.00 H new ATOM 0 HA LEU A 73 2.371 -6.363 4.766 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.399 -4.723 3.068 1.00 0.00 H new ATOM 0 HB3 LEU A 73 2.163 -5.683 1.816 1.00 0.00 H new ATOM 0 HG LEU A 73 0.805 -7.649 3.030 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.420 -6.834 3.704 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -0.137 -6.205 4.764 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.856 -5.157 3.519 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.953 -7.323 1.332 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.370 -5.665 1.054 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.672 -7.052 0.660 1.00 0.00 H new ATOM 1127 N PRO A 74 3.308 -8.521 4.003 1.00 0.00 N ATOM 1128 CA PRO A 74 3.910 -9.810 3.647 1.00 0.00 C ATOM 1129 C PRO A 74 3.324 -10.388 2.363 1.00 0.00 C ATOM 1130 O PRO A 74 2.211 -10.044 1.968 1.00 0.00 O ATOM 1131 CB PRO A 74 3.566 -10.703 4.842 1.00 0.00 C ATOM 1132 CG PRO A 74 2.337 -10.098 5.426 1.00 0.00 C ATOM 1133 CD PRO A 74 2.458 -8.616 5.202 1.00 0.00 C ATOM 0 HA PRO A 74 4.980 -9.723 3.457 1.00 0.00 H new ATOM 0 HB2 PRO A 74 3.390 -11.732 4.529 1.00 0.00 H new ATOM 0 HB3 PRO A 74 4.380 -10.725 5.567 1.00 0.00 H new ATOM 0 HG2 PRO A 74 1.442 -10.493 4.946 1.00 0.00 H new ATOM 0 HG3 PRO A 74 2.257 -10.327 6.489 1.00 0.00 H new ATOM 0 HD2 PRO A 74 1.484 -8.153 5.042 1.00 0.00 H new ATOM 0 HD3 PRO A 74 2.912 -8.116 6.057 1.00 0.00 H new ATOM 1141 N SER A 75 4.082 -11.268 1.717 1.00 0.00 N ATOM 1142 CA SER A 75 3.640 -11.891 0.475 1.00 0.00 C ATOM 1143 C SER A 75 3.750 -13.410 0.561 1.00 0.00 C ATOM 1144 O SER A 75 4.714 -13.944 1.107 1.00 0.00 O ATOM 1145 CB SER A 75 4.467 -11.374 -0.703 1.00 0.00 C ATOM 1146 OG SER A 75 4.162 -12.083 -1.891 1.00 0.00 O ATOM 0 H SER A 75 5.005 -11.566 2.033 1.00 0.00 H new ATOM 0 HA SER A 75 2.594 -11.628 0.318 1.00 0.00 H new ATOM 0 HB2 SER A 75 4.272 -10.312 -0.850 1.00 0.00 H new ATOM 0 HB3 SER A 75 5.529 -11.475 -0.478 1.00 0.00 H new ATOM 0 HG SER A 75 4.703 -11.732 -2.629 1.00 0.00 H new ATOM 1152 N GLY A 76 2.753 -14.101 0.016 1.00 0.00 N ATOM 1153 CA GLY A 76 2.755 -15.552 0.041 1.00 0.00 C ATOM 1154 C GLY A 76 3.761 -16.147 -0.925 1.00 0.00 C ATOM 1155 O GLY A 76 4.484 -15.432 -1.619 1.00 0.00 O ATOM 0 H GLY A 76 1.944 -13.682 -0.442 1.00 0.00 H new ATOM 0 HA2 GLY A 76 2.979 -15.895 1.051 1.00 0.00 H new ATOM 0 HA3 GLY A 76 1.758 -15.918 -0.206 1.00 0.00 H new ATOM 1159 N PRO A 77 3.818 -17.486 -0.976 1.00 0.00 N ATOM 1160 CA PRO A 77 4.740 -18.206 -1.860 1.00 0.00 C ATOM 1161 C PRO A 77 4.361 -18.067 -3.330 1.00 0.00 C ATOM 1162 O PRO A 77 3.367 -18.636 -3.781 1.00 0.00 O ATOM 1163 CB PRO A 77 4.601 -19.661 -1.407 1.00 0.00 C ATOM 1164 CG PRO A 77 3.241 -19.743 -0.804 1.00 0.00 C ATOM 1165 CD PRO A 77 2.985 -18.400 -0.177 1.00 0.00 C ATOM 0 HA PRO A 77 5.757 -17.819 -1.791 1.00 0.00 H new ATOM 0 HB2 PRO A 77 4.704 -20.348 -2.247 1.00 0.00 H new ATOM 0 HB3 PRO A 77 5.372 -19.925 -0.683 1.00 0.00 H new ATOM 0 HG2 PRO A 77 2.491 -19.969 -1.562 1.00 0.00 H new ATOM 0 HG3 PRO A 77 3.191 -20.537 -0.059 1.00 0.00 H new ATOM 0 HD2 PRO A 77 1.930 -18.128 -0.225 1.00 0.00 H new ATOM 0 HD3 PRO A 77 3.270 -18.387 0.875 1.00 0.00 H new ATOM 1173 N SER A 78 5.160 -17.308 -4.074 1.00 0.00 N ATOM 1174 CA SER A 78 4.906 -17.093 -5.493 1.00 0.00 C ATOM 1175 C SER A 78 5.384 -18.284 -6.318 1.00 0.00 C ATOM 1176 O SER A 78 6.566 -18.628 -6.304 1.00 0.00 O ATOM 1177 CB SER A 78 5.602 -15.816 -5.969 1.00 0.00 C ATOM 1178 OG SER A 78 5.051 -14.671 -5.343 1.00 0.00 O ATOM 0 H SER A 78 5.988 -16.832 -3.717 1.00 0.00 H new ATOM 0 HA SER A 78 3.830 -16.986 -5.632 1.00 0.00 H new ATOM 0 HB2 SER A 78 6.668 -15.876 -5.750 1.00 0.00 H new ATOM 0 HB3 SER A 78 5.503 -15.726 -7.051 1.00 0.00 H new ATOM 0 HG SER A 78 5.514 -13.869 -5.663 1.00 0.00 H new ATOM 1184 N SER A 79 4.456 -18.909 -7.035 1.00 0.00 N ATOM 1185 CA SER A 79 4.780 -20.065 -7.863 1.00 0.00 C ATOM 1186 C SER A 79 5.638 -19.654 -9.057 1.00 0.00 C ATOM 1187 O SER A 79 5.801 -18.468 -9.340 1.00 0.00 O ATOM 1188 CB SER A 79 3.500 -20.745 -8.351 1.00 0.00 C ATOM 1189 OG SER A 79 2.911 -20.019 -9.416 1.00 0.00 O ATOM 0 H SER A 79 3.474 -18.635 -7.059 1.00 0.00 H new ATOM 0 HA SER A 79 5.347 -20.769 -7.254 1.00 0.00 H new ATOM 0 HB2 SER A 79 3.726 -21.759 -8.679 1.00 0.00 H new ATOM 0 HB3 SER A 79 2.791 -20.827 -7.527 1.00 0.00 H new ATOM 0 HG SER A 79 2.095 -20.475 -9.711 1.00 0.00 H new ATOM 1195 N GLY A 80 6.185 -20.646 -9.754 1.00 0.00 N ATOM 1196 CA GLY A 80 7.019 -20.369 -10.909 1.00 0.00 C ATOM 1197 C GLY A 80 6.215 -20.239 -12.187 1.00 0.00 C ATOM 1198 O GLY A 80 5.200 -20.913 -12.361 1.00 0.00 O ATOM 0 H GLY A 80 6.065 -21.636 -9.539 1.00 0.00 H new ATOM 0 HA2 GLY A 80 7.576 -19.448 -10.739 1.00 0.00 H new ATOM 0 HA3 GLY A 80 7.752 -21.168 -11.024 1.00 0.00 H new TER 1202 GLY A 80