USER MOD reduce.3.24.130724 H: found=0, std=0, add=503, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 501 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 9 THR OG1 : rot -160:sc= 0 USER MOD Set 1.2: A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -122:sc= 0.0688 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.148 USER MOD Single : A 8 ASN :FLIP amide:sc= -0.0539 F(o=-0.97,f=-0.054) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 ASN : amide:sc= -0.0674 K(o=-0.067,f=-2!) USER MOD Single : A 26 MET CE :methyl 163:sc= -2.16 (180deg=-2.56) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -0.244 K(o=-0.24,f=-1.6) USER MOD Single : A 44 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0601) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 ASN :FLIP amide:sc= -0.576! F(o=-1.5,f=-0.58!) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.352 -14.175 -3.304 1.00 0.00 N ATOM 2 CA GLY A 1 -15.976 -13.840 -3.623 1.00 0.00 C ATOM 3 C GLY A 1 -15.010 -14.951 -3.261 1.00 0.00 C ATOM 4 O GLY A 1 -15.396 -15.939 -2.638 1.00 0.00 O ATOM 0 H1 GLY A 1 -17.931 -14.123 -4.166 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.394 -15.139 -2.916 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.719 -13.503 -2.600 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.895 -13.625 -4.689 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -15.694 -12.931 -3.092 1.00 0.00 H new ATOM 8 N SER A 2 -13.751 -14.789 -3.655 1.00 0.00 N ATOM 9 CA SER A 2 -12.728 -15.789 -3.373 1.00 0.00 C ATOM 10 C SER A 2 -12.545 -15.971 -1.870 1.00 0.00 C ATOM 11 O SER A 2 -12.922 -15.107 -1.078 1.00 0.00 O ATOM 12 CB SER A 2 -11.399 -15.385 -4.015 1.00 0.00 C ATOM 13 OG SER A 2 -11.505 -15.347 -5.427 1.00 0.00 O ATOM 0 H SER A 2 -13.415 -13.975 -4.170 1.00 0.00 H new ATOM 0 HA SER A 2 -13.056 -16.737 -3.799 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.095 -14.406 -3.644 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.622 -16.092 -3.725 1.00 0.00 H new ATOM 0 HG SER A 2 -10.643 -15.085 -5.813 1.00 0.00 H new ATOM 19 N SER A 3 -11.964 -17.103 -1.483 1.00 0.00 N ATOM 20 CA SER A 3 -11.735 -17.401 -0.075 1.00 0.00 C ATOM 21 C SER A 3 -10.242 -17.517 0.220 1.00 0.00 C ATOM 22 O SER A 3 -9.693 -18.616 0.282 1.00 0.00 O ATOM 23 CB SER A 3 -12.444 -18.699 0.316 1.00 0.00 C ATOM 24 OG SER A 3 -12.129 -19.073 1.645 1.00 0.00 O ATOM 0 H SER A 3 -11.644 -17.828 -2.125 1.00 0.00 H new ATOM 0 HA SER A 3 -12.143 -16.580 0.515 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.522 -18.572 0.217 1.00 0.00 H new ATOM 0 HB3 SER A 3 -12.153 -19.496 -0.368 1.00 0.00 H new ATOM 0 HG SER A 3 -12.596 -19.905 1.870 1.00 0.00 H new ATOM 30 N GLY A 4 -9.591 -16.371 0.400 1.00 0.00 N ATOM 31 CA GLY A 4 -8.168 -16.364 0.685 1.00 0.00 C ATOM 32 C GLY A 4 -7.383 -15.520 -0.299 1.00 0.00 C ATOM 33 O GLY A 4 -7.828 -15.292 -1.424 1.00 0.00 O ATOM 0 H GLY A 4 -10.024 -15.448 0.354 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.005 -15.986 1.694 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -7.791 -17.387 0.663 1.00 0.00 H new ATOM 37 N SER A 5 -6.213 -15.054 0.125 1.00 0.00 N ATOM 38 CA SER A 5 -5.367 -14.225 -0.726 1.00 0.00 C ATOM 39 C SER A 5 -3.893 -14.556 -0.514 1.00 0.00 C ATOM 40 O SER A 5 -3.496 -15.016 0.557 1.00 0.00 O ATOM 41 CB SER A 5 -5.615 -12.743 -0.439 1.00 0.00 C ATOM 42 OG SER A 5 -5.394 -11.955 -1.596 1.00 0.00 O ATOM 0 H SER A 5 -5.829 -15.236 1.052 1.00 0.00 H new ATOM 0 HA SER A 5 -5.623 -14.434 -1.765 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.638 -12.603 -0.090 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.956 -12.410 0.363 1.00 0.00 H new ATOM 0 HG SER A 5 -5.561 -11.012 -1.387 1.00 0.00 H new ATOM 48 N SER A 6 -3.085 -14.319 -1.543 1.00 0.00 N ATOM 49 CA SER A 6 -1.655 -14.595 -1.472 1.00 0.00 C ATOM 50 C SER A 6 -0.883 -13.715 -2.450 1.00 0.00 C ATOM 51 O SER A 6 -1.454 -13.161 -3.389 1.00 0.00 O ATOM 52 CB SER A 6 -1.384 -16.070 -1.771 1.00 0.00 C ATOM 53 OG SER A 6 -2.083 -16.911 -0.869 1.00 0.00 O ATOM 0 H SER A 6 -3.397 -13.936 -2.436 1.00 0.00 H new ATOM 0 HA SER A 6 -1.315 -14.369 -0.461 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.685 -16.298 -2.793 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.314 -16.267 -1.702 1.00 0.00 H new ATOM 0 HG SER A 6 -1.894 -17.849 -1.083 1.00 0.00 H new ATOM 59 N GLY A 7 0.422 -13.592 -2.223 1.00 0.00 N ATOM 60 CA GLY A 7 1.252 -12.778 -3.091 1.00 0.00 C ATOM 61 C GLY A 7 2.131 -11.815 -2.318 1.00 0.00 C ATOM 62 O GLY A 7 2.685 -12.169 -1.278 1.00 0.00 O ATOM 0 H GLY A 7 0.918 -14.042 -1.454 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.879 -13.427 -3.702 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.615 -12.215 -3.774 1.00 0.00 H new ATOM 66 N ASN A 8 2.260 -10.595 -2.828 1.00 0.00 N ATOM 67 CA ASN A 8 3.080 -9.578 -2.179 1.00 0.00 C ATOM 68 C ASN A 8 2.227 -8.672 -1.297 1.00 0.00 C ATOM 69 O ASN A 8 1.280 -8.041 -1.768 1.00 0.00 O ATOM 70 CB ASN A 8 3.816 -8.741 -3.227 1.00 0.00 C ATOM 71 CG ASN A 8 4.881 -9.536 -3.958 1.00 0.00 C ATOM 72 OD1 ASN A 8 4.459 -10.575 -4.670 1.00 0.00 O flip ATOM 73 ND2 ASN A 8 6.068 -9.220 -3.884 1.00 0.00 N flip ATOM 0 H ASN A 8 1.808 -10.286 -3.688 1.00 0.00 H new ATOM 0 HA ASN A 8 3.811 -10.085 -1.549 1.00 0.00 H new ATOM 0 HB2 ASN A 8 3.097 -8.353 -3.948 1.00 0.00 H new ATOM 0 HB3 ASN A 8 4.277 -7.881 -2.742 1.00 0.00 H new ATOM 0 HD21 ASN A 8 6.347 -8.414 -3.325 1.00 0.00 H new ATOM 0 HD22 ASN A 8 6.773 -9.764 -4.382 1.00 0.00 H new ATOM 80 N THR A 9 2.568 -8.613 -0.013 1.00 0.00 N ATOM 81 CA THR A 9 1.834 -7.785 0.935 1.00 0.00 C ATOM 82 C THR A 9 2.735 -6.720 1.549 1.00 0.00 C ATOM 83 O THR A 9 3.952 -6.892 1.625 1.00 0.00 O ATOM 84 CB THR A 9 1.220 -8.635 2.064 1.00 0.00 C ATOM 85 OG1 THR A 9 2.034 -9.787 2.308 1.00 0.00 O ATOM 86 CG2 THR A 9 -0.193 -9.071 1.706 1.00 0.00 C ATOM 0 H THR A 9 3.348 -9.129 0.394 1.00 0.00 H new ATOM 0 HA THR A 9 1.033 -7.300 0.377 1.00 0.00 H new ATOM 0 HB THR A 9 1.177 -8.025 2.966 1.00 0.00 H new ATOM 0 HG1 THR A 9 1.506 -10.468 2.775 1.00 0.00 H new ATOM 0 HG21 THR A 9 -0.606 -9.670 2.518 1.00 0.00 H new ATOM 0 HG22 THR A 9 -0.817 -8.191 1.551 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.170 -9.665 0.793 1.00 0.00 H new ATOM 94 N TYR A 10 2.131 -5.621 1.987 1.00 0.00 N ATOM 95 CA TYR A 10 2.881 -4.527 2.593 1.00 0.00 C ATOM 96 C TYR A 10 2.053 -3.829 3.667 1.00 0.00 C ATOM 97 O TYR A 10 0.834 -3.707 3.547 1.00 0.00 O ATOM 98 CB TYR A 10 3.304 -3.518 1.524 1.00 0.00 C ATOM 99 CG TYR A 10 4.380 -4.034 0.596 1.00 0.00 C ATOM 100 CD1 TYR A 10 4.075 -4.923 -0.428 1.00 0.00 C ATOM 101 CD2 TYR A 10 5.703 -3.633 0.742 1.00 0.00 C ATOM 102 CE1 TYR A 10 5.054 -5.398 -1.278 1.00 0.00 C ATOM 103 CE2 TYR A 10 6.689 -4.102 -0.104 1.00 0.00 C ATOM 104 CZ TYR A 10 6.360 -4.984 -1.112 1.00 0.00 C ATOM 105 OH TYR A 10 7.339 -5.454 -1.958 1.00 0.00 O ATOM 0 H TYR A 10 1.125 -5.464 1.934 1.00 0.00 H new ATOM 0 HA TYR A 10 3.772 -4.946 3.061 1.00 0.00 H new ATOM 0 HB2 TYR A 10 2.431 -3.239 0.934 1.00 0.00 H new ATOM 0 HB3 TYR A 10 3.662 -2.612 2.013 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.054 -5.248 -0.561 1.00 0.00 H new ATOM 0 HD2 TYR A 10 5.964 -2.943 1.531 1.00 0.00 H new ATOM 0 HE1 TYR A 10 4.799 -6.089 -2.068 1.00 0.00 H new ATOM 0 HE2 TYR A 10 7.712 -3.780 0.023 1.00 0.00 H new ATOM 0 HH TYR A 10 8.203 -5.065 -1.707 1.00 0.00 H new ATOM 115 N VAL A 11 2.725 -3.373 4.720 1.00 0.00 N ATOM 116 CA VAL A 11 2.053 -2.685 5.816 1.00 0.00 C ATOM 117 C VAL A 11 2.470 -1.220 5.884 1.00 0.00 C ATOM 118 O VAL A 11 3.649 -0.893 5.752 1.00 0.00 O ATOM 119 CB VAL A 11 2.356 -3.357 7.169 1.00 0.00 C ATOM 120 CG1 VAL A 11 3.816 -3.161 7.547 1.00 0.00 C ATOM 121 CG2 VAL A 11 1.438 -2.810 8.252 1.00 0.00 C ATOM 0 H VAL A 11 3.734 -3.468 4.837 1.00 0.00 H new ATOM 0 HA VAL A 11 0.983 -2.746 5.619 1.00 0.00 H new ATOM 0 HB VAL A 11 2.171 -4.427 7.074 1.00 0.00 H new ATOM 0 HG11 VAL A 11 4.012 -3.642 8.505 1.00 0.00 H new ATOM 0 HG12 VAL A 11 4.453 -3.605 6.782 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.032 -2.095 7.625 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.665 -3.295 9.201 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.590 -1.735 8.349 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.400 -3.007 7.983 1.00 0.00 H new ATOM 131 N ALA A 12 1.495 -0.342 6.091 1.00 0.00 N ATOM 132 CA ALA A 12 1.761 1.088 6.179 1.00 0.00 C ATOM 133 C ALA A 12 2.489 1.433 7.473 1.00 0.00 C ATOM 134 O ALA A 12 2.349 0.737 8.480 1.00 0.00 O ATOM 135 CB ALA A 12 0.461 1.874 6.076 1.00 0.00 C ATOM 0 H ALA A 12 0.513 -0.596 6.201 1.00 0.00 H new ATOM 0 HA ALA A 12 2.407 1.364 5.346 1.00 0.00 H new ATOM 0 HB1 ALA A 12 0.675 2.941 6.143 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -0.019 1.660 5.121 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -0.204 1.585 6.890 1.00 0.00 H new ATOM 141 N LEU A 13 3.266 2.510 7.441 1.00 0.00 N ATOM 142 CA LEU A 13 4.017 2.946 8.613 1.00 0.00 C ATOM 143 C LEU A 13 3.453 4.251 9.166 1.00 0.00 C ATOM 144 O LEU A 13 3.470 4.483 10.375 1.00 0.00 O ATOM 145 CB LEU A 13 5.495 3.126 8.258 1.00 0.00 C ATOM 146 CG LEU A 13 6.140 1.983 7.473 1.00 0.00 C ATOM 147 CD1 LEU A 13 7.391 2.467 6.757 1.00 0.00 C ATOM 148 CD2 LEU A 13 6.469 0.820 8.398 1.00 0.00 C ATOM 0 H LEU A 13 3.392 3.097 6.617 1.00 0.00 H new ATOM 0 HA LEU A 13 3.925 2.177 9.380 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.600 4.043 7.678 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.056 3.267 9.182 1.00 0.00 H new ATOM 0 HG LEU A 13 5.429 1.635 6.724 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.836 1.640 6.204 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.128 3.267 6.065 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.107 2.842 7.489 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.927 0.016 7.822 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.162 1.154 9.170 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.554 0.456 8.865 1.00 0.00 H new ATOM 160 N TYR A 14 2.954 5.099 8.274 1.00 0.00 N ATOM 161 CA TYR A 14 2.384 6.381 8.673 1.00 0.00 C ATOM 162 C TYR A 14 1.024 6.600 8.018 1.00 0.00 C ATOM 163 O TYR A 14 0.660 5.907 7.067 1.00 0.00 O ATOM 164 CB TYR A 14 3.332 7.522 8.299 1.00 0.00 C ATOM 165 CG TYR A 14 4.794 7.140 8.364 1.00 0.00 C ATOM 166 CD1 TYR A 14 5.506 7.236 9.553 1.00 0.00 C ATOM 167 CD2 TYR A 14 5.462 6.681 7.235 1.00 0.00 C ATOM 168 CE1 TYR A 14 6.842 6.890 9.615 1.00 0.00 C ATOM 169 CE2 TYR A 14 6.798 6.331 7.289 1.00 0.00 C ATOM 170 CZ TYR A 14 7.483 6.437 8.481 1.00 0.00 C ATOM 171 OH TYR A 14 8.813 6.089 8.540 1.00 0.00 O ATOM 0 H TYR A 14 2.932 4.922 7.270 1.00 0.00 H new ATOM 0 HA TYR A 14 2.248 6.369 9.754 1.00 0.00 H new ATOM 0 HB2 TYR A 14 3.098 7.862 7.290 1.00 0.00 H new ATOM 0 HB3 TYR A 14 3.155 8.364 8.968 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.007 7.587 10.444 1.00 0.00 H new ATOM 0 HD2 TYR A 14 4.928 6.596 6.300 1.00 0.00 H new ATOM 0 HE1 TYR A 14 7.382 6.974 10.547 1.00 0.00 H new ATOM 0 HE2 TYR A 14 7.303 5.976 6.402 1.00 0.00 H new ATOM 0 HH TYR A 14 9.112 5.789 7.656 1.00 0.00 H new ATOM 181 N LYS A 15 0.276 7.570 8.533 1.00 0.00 N ATOM 182 CA LYS A 15 -1.044 7.885 7.999 1.00 0.00 C ATOM 183 C LYS A 15 -0.932 8.723 6.730 1.00 0.00 C ATOM 184 O LYS A 15 -0.456 9.858 6.763 1.00 0.00 O ATOM 185 CB LYS A 15 -1.874 8.632 9.045 1.00 0.00 C ATOM 186 CG LYS A 15 -3.165 9.214 8.494 1.00 0.00 C ATOM 187 CD LYS A 15 -4.026 9.804 9.598 1.00 0.00 C ATOM 188 CE LYS A 15 -5.174 10.625 9.031 1.00 0.00 C ATOM 189 NZ LYS A 15 -6.390 9.795 8.803 1.00 0.00 N ATOM 0 H LYS A 15 0.562 8.152 9.320 1.00 0.00 H new ATOM 0 HA LYS A 15 -1.542 6.947 7.751 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -2.112 7.951 9.862 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -1.273 9.438 9.466 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -2.933 9.986 7.760 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -3.723 8.436 7.973 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.423 9.001 10.219 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.412 10.432 10.243 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -5.413 11.438 9.717 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.864 11.082 8.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -7.150 10.391 8.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -6.170 9.034 8.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -6.701 9.380 9.704 1.00 0.00 H new ATOM 203 N PHE A 16 -1.374 8.157 5.611 1.00 0.00 N ATOM 204 CA PHE A 16 -1.324 8.853 4.331 1.00 0.00 C ATOM 205 C PHE A 16 -2.692 9.422 3.967 1.00 0.00 C ATOM 206 O PHE A 16 -3.726 8.839 4.294 1.00 0.00 O ATOM 207 CB PHE A 16 -0.843 7.906 3.230 1.00 0.00 C ATOM 208 CG PHE A 16 -0.565 8.595 1.925 1.00 0.00 C ATOM 209 CD1 PHE A 16 -1.596 8.885 1.046 1.00 0.00 C ATOM 210 CD2 PHE A 16 0.727 8.954 1.577 1.00 0.00 C ATOM 211 CE1 PHE A 16 -1.343 9.518 -0.156 1.00 0.00 C ATOM 212 CE2 PHE A 16 0.987 9.588 0.377 1.00 0.00 C ATOM 213 CZ PHE A 16 -0.050 9.871 -0.491 1.00 0.00 C ATOM 0 H PHE A 16 -1.771 7.218 5.565 1.00 0.00 H new ATOM 0 HA PHE A 16 -0.620 9.680 4.423 1.00 0.00 H new ATOM 0 HB2 PHE A 16 0.063 7.402 3.566 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -1.596 7.134 3.071 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -2.609 8.613 1.303 1.00 0.00 H new ATOM 0 HD2 PHE A 16 1.541 8.736 2.252 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -2.155 9.737 -0.833 1.00 0.00 H new ATOM 0 HE2 PHE A 16 1.999 9.862 0.118 1.00 0.00 H new ATOM 0 HZ PHE A 16 0.150 10.367 -1.429 1.00 0.00 H new ATOM 223 N VAL A 17 -2.690 10.564 3.287 1.00 0.00 N ATOM 224 CA VAL A 17 -3.930 11.213 2.878 1.00 0.00 C ATOM 225 C VAL A 17 -3.912 11.542 1.389 1.00 0.00 C ATOM 226 O VAL A 17 -3.087 12.321 0.911 1.00 0.00 O ATOM 227 CB VAL A 17 -4.177 12.507 3.676 1.00 0.00 C ATOM 228 CG1 VAL A 17 -5.483 13.157 3.248 1.00 0.00 C ATOM 229 CG2 VAL A 17 -4.180 12.218 5.170 1.00 0.00 C ATOM 0 H VAL A 17 -1.843 11.059 3.008 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.738 10.510 3.083 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.366 13.204 3.465 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -5.641 14.070 3.823 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -5.438 13.400 2.186 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -6.308 12.468 3.428 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -4.356 13.143 5.719 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.970 11.503 5.401 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.216 11.800 5.462 1.00 0.00 H new ATOM 239 N PRO A 18 -4.843 10.937 0.638 1.00 0.00 N ATOM 240 CA PRO A 18 -4.956 11.152 -0.808 1.00 0.00 C ATOM 241 C PRO A 18 -5.451 12.553 -1.149 1.00 0.00 C ATOM 242 O PRO A 18 -6.616 12.881 -0.922 1.00 0.00 O ATOM 243 CB PRO A 18 -5.982 10.102 -1.243 1.00 0.00 C ATOM 244 CG PRO A 18 -6.796 9.839 -0.023 1.00 0.00 C ATOM 245 CD PRO A 18 -5.858 9.997 1.142 1.00 0.00 C ATOM 0 HA PRO A 18 -3.993 11.061 -1.310 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -6.602 10.469 -2.061 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -5.494 9.194 -1.596 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -7.629 10.538 0.049 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -7.223 8.836 -0.047 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -6.370 10.391 2.020 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -5.415 9.045 1.433 1.00 0.00 H new ATOM 253 N GLN A 19 -4.560 13.374 -1.695 1.00 0.00 N ATOM 254 CA GLN A 19 -4.908 14.740 -2.066 1.00 0.00 C ATOM 255 C GLN A 19 -5.972 14.753 -3.158 1.00 0.00 C ATOM 256 O GLN A 19 -6.930 15.523 -3.095 1.00 0.00 O ATOM 257 CB GLN A 19 -3.664 15.494 -2.541 1.00 0.00 C ATOM 258 CG GLN A 19 -3.751 16.999 -2.340 1.00 0.00 C ATOM 259 CD GLN A 19 -2.584 17.739 -2.962 1.00 0.00 C ATOM 260 OE1 GLN A 19 -1.536 17.906 -2.338 1.00 0.00 O ATOM 261 NE2 GLN A 19 -2.760 18.188 -4.199 1.00 0.00 N ATOM 0 H GLN A 19 -3.592 13.117 -1.890 1.00 0.00 H new ATOM 0 HA GLN A 19 -5.312 15.238 -1.184 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -2.793 15.114 -2.007 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -3.505 15.286 -3.599 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -4.681 17.366 -2.773 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -3.788 17.218 -1.273 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -3.646 18.027 -4.679 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -2.010 18.694 -4.669 1.00 0.00 H new ATOM 270 N GLU A 20 -5.797 13.896 -4.159 1.00 0.00 N ATOM 271 CA GLU A 20 -6.742 13.810 -5.266 1.00 0.00 C ATOM 272 C GLU A 20 -7.588 12.545 -5.162 1.00 0.00 C ATOM 273 O GLU A 20 -7.429 11.754 -4.233 1.00 0.00 O ATOM 274 CB GLU A 20 -6.000 13.833 -6.603 1.00 0.00 C ATOM 275 CG GLU A 20 -4.824 12.872 -6.663 1.00 0.00 C ATOM 276 CD GLU A 20 -4.076 12.946 -7.980 1.00 0.00 C ATOM 277 OE1 GLU A 20 -3.682 14.062 -8.376 1.00 0.00 O ATOM 278 OE2 GLU A 20 -3.887 11.887 -8.615 1.00 0.00 O ATOM 0 H GLU A 20 -5.009 13.251 -4.226 1.00 0.00 H new ATOM 0 HA GLU A 20 -7.404 14.674 -5.212 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -6.700 13.588 -7.402 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -5.642 14.845 -6.793 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.137 13.093 -5.846 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -5.183 11.854 -6.510 1.00 0.00 H new ATOM 285 N ASN A 21 -8.488 12.361 -6.123 1.00 0.00 N ATOM 286 CA ASN A 21 -9.361 11.193 -6.140 1.00 0.00 C ATOM 287 C ASN A 21 -8.691 10.024 -6.856 1.00 0.00 C ATOM 288 O ASN A 21 -9.355 9.224 -7.514 1.00 0.00 O ATOM 289 CB ASN A 21 -10.688 11.531 -6.822 1.00 0.00 C ATOM 290 CG ASN A 21 -11.657 12.229 -5.888 1.00 0.00 C ATOM 291 OD1 ASN A 21 -11.454 12.258 -4.674 1.00 0.00 O ATOM 292 ND2 ASN A 21 -12.718 12.795 -6.452 1.00 0.00 N ATOM 0 H ASN A 21 -8.632 13.006 -6.900 1.00 0.00 H new ATOM 0 HA ASN A 21 -9.556 10.901 -5.108 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -10.497 12.168 -7.686 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -11.145 10.615 -7.196 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -13.405 13.279 -5.874 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -12.845 12.746 -7.463 1.00 0.00 H new ATOM 299 N GLU A 22 -7.371 9.933 -6.722 1.00 0.00 N ATOM 300 CA GLU A 22 -6.612 8.862 -7.357 1.00 0.00 C ATOM 301 C GLU A 22 -5.709 8.162 -6.346 1.00 0.00 C ATOM 302 O GLU A 22 -5.425 6.970 -6.471 1.00 0.00 O ATOM 303 CB GLU A 22 -5.772 9.416 -8.510 1.00 0.00 C ATOM 304 CG GLU A 22 -6.547 10.333 -9.442 1.00 0.00 C ATOM 305 CD GLU A 22 -5.879 10.490 -10.794 1.00 0.00 C ATOM 306 OE1 GLU A 22 -5.721 9.473 -11.500 1.00 0.00 O ATOM 307 OE2 GLU A 22 -5.515 11.632 -11.145 1.00 0.00 O ATOM 0 H GLU A 22 -6.806 10.587 -6.180 1.00 0.00 H new ATOM 0 HA GLU A 22 -7.321 8.133 -7.751 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.923 9.962 -8.100 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.367 8.584 -9.086 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.553 9.937 -9.582 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.652 11.313 -8.977 1.00 0.00 H new ATOM 314 N ASP A 23 -5.259 8.911 -5.345 1.00 0.00 N ATOM 315 CA ASP A 23 -4.388 8.364 -4.312 1.00 0.00 C ATOM 316 C ASP A 23 -5.137 7.351 -3.450 1.00 0.00 C ATOM 317 O ASP A 23 -6.367 7.296 -3.466 1.00 0.00 O ATOM 318 CB ASP A 23 -3.834 9.488 -3.434 1.00 0.00 C ATOM 319 CG ASP A 23 -2.633 10.171 -4.058 1.00 0.00 C ATOM 320 OD1 ASP A 23 -2.413 9.990 -5.275 1.00 0.00 O ATOM 321 OD2 ASP A 23 -1.914 10.887 -3.331 1.00 0.00 O ATOM 0 H ASP A 23 -5.483 9.899 -5.227 1.00 0.00 H new ATOM 0 HA ASP A 23 -3.559 7.854 -4.803 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -4.616 10.226 -3.257 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -3.553 9.081 -2.462 1.00 0.00 H new ATOM 326 N LEU A 24 -4.387 6.551 -2.701 1.00 0.00 N ATOM 327 CA LEU A 24 -4.979 5.539 -1.833 1.00 0.00 C ATOM 328 C LEU A 24 -4.811 5.915 -0.364 1.00 0.00 C ATOM 329 O LEU A 24 -3.695 6.131 0.107 1.00 0.00 O ATOM 330 CB LEU A 24 -4.340 4.175 -2.098 1.00 0.00 C ATOM 331 CG LEU A 24 -4.337 3.195 -0.924 1.00 0.00 C ATOM 332 CD1 LEU A 24 -5.760 2.866 -0.499 1.00 0.00 C ATOM 333 CD2 LEU A 24 -3.581 1.927 -1.289 1.00 0.00 C ATOM 0 H LEU A 24 -3.368 6.583 -2.677 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.045 5.484 -2.055 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.862 3.708 -2.934 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.309 4.334 -2.415 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.829 3.667 -0.083 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.738 2.167 0.337 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.269 3.780 -0.195 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.294 2.414 -1.335 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.589 1.242 -0.441 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.060 1.452 -2.145 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.551 2.178 -1.543 1.00 0.00 H new ATOM 345 N GLU A 25 -5.928 5.989 0.354 1.00 0.00 N ATOM 346 CA GLU A 25 -5.903 6.338 1.769 1.00 0.00 C ATOM 347 C GLU A 25 -5.483 5.141 2.617 1.00 0.00 C ATOM 348 O GLU A 25 -6.065 4.061 2.517 1.00 0.00 O ATOM 349 CB GLU A 25 -7.278 6.838 2.218 1.00 0.00 C ATOM 350 CG GLU A 25 -7.219 7.832 3.366 1.00 0.00 C ATOM 351 CD GLU A 25 -8.455 8.706 3.445 1.00 0.00 C ATOM 352 OE1 GLU A 25 -9.551 8.216 3.101 1.00 0.00 O ATOM 353 OE2 GLU A 25 -8.327 9.879 3.852 1.00 0.00 O ATOM 0 H GLU A 25 -6.860 5.812 -0.021 1.00 0.00 H new ATOM 0 HA GLU A 25 -5.172 7.134 1.908 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.780 7.304 1.370 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.885 5.984 2.518 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.101 7.291 4.305 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -6.339 8.464 3.250 1.00 0.00 H new ATOM 360 N MET A 26 -4.468 5.341 3.451 1.00 0.00 N ATOM 361 CA MET A 26 -3.970 4.278 4.317 1.00 0.00 C ATOM 362 C MET A 26 -3.615 4.823 5.697 1.00 0.00 C ATOM 363 O MET A 26 -3.468 6.032 5.878 1.00 0.00 O ATOM 364 CB MET A 26 -2.746 3.610 3.689 1.00 0.00 C ATOM 365 CG MET A 26 -1.811 4.586 2.993 1.00 0.00 C ATOM 366 SD MET A 26 -0.442 3.762 2.159 1.00 0.00 S ATOM 367 CE MET A 26 0.913 4.862 2.565 1.00 0.00 C ATOM 0 H MET A 26 -3.974 6.229 3.546 1.00 0.00 H new ATOM 0 HA MET A 26 -4.760 3.536 4.431 1.00 0.00 H new ATOM 0 HB2 MET A 26 -2.193 3.081 4.465 1.00 0.00 H new ATOM 0 HB3 MET A 26 -3.079 2.863 2.969 1.00 0.00 H new ATOM 0 HG2 MET A 26 -2.376 5.169 2.266 1.00 0.00 H new ATOM 0 HG3 MET A 26 -1.415 5.289 3.726 1.00 0.00 H new ATOM 0 HE1 MET A 26 1.860 4.352 2.390 1.00 0.00 H new ATOM 0 HE2 MET A 26 0.859 5.752 1.939 1.00 0.00 H new ATOM 0 HE3 MET A 26 0.845 5.151 3.614 1.00 0.00 H new ATOM 377 N ARG A 27 -3.477 3.924 6.666 1.00 0.00 N ATOM 378 CA ARG A 27 -3.140 4.315 8.029 1.00 0.00 C ATOM 379 C ARG A 27 -1.972 3.489 8.559 1.00 0.00 C ATOM 380 O ARG A 27 -1.648 2.422 8.038 1.00 0.00 O ATOM 381 CB ARG A 27 -4.354 4.148 8.945 1.00 0.00 C ATOM 382 CG ARG A 27 -5.230 5.387 9.029 1.00 0.00 C ATOM 383 CD ARG A 27 -6.470 5.137 9.873 1.00 0.00 C ATOM 384 NE ARG A 27 -7.477 6.178 9.687 1.00 0.00 N ATOM 385 CZ ARG A 27 -8.258 6.262 8.616 1.00 0.00 C ATOM 386 NH1 ARG A 27 -8.148 5.372 7.640 1.00 0.00 N ATOM 387 NH2 ARG A 27 -9.152 7.239 8.520 1.00 0.00 N ATOM 0 H ARG A 27 -3.593 2.920 6.532 1.00 0.00 H new ATOM 0 HA ARG A 27 -2.844 5.364 8.017 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -4.955 3.312 8.588 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -4.010 3.888 9.946 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -4.658 6.210 9.457 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -5.527 5.693 8.026 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -6.897 4.169 9.612 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -6.189 5.088 10.925 1.00 0.00 H new ATOM 0 HE ARG A 27 -7.587 6.879 10.420 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -7.462 4.620 7.710 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -8.749 5.439 6.819 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -9.239 7.926 9.269 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -9.751 7.303 7.697 1.00 0.00 H new ATOM 401 N PRO A 28 -1.323 3.994 9.619 1.00 0.00 N ATOM 402 CA PRO A 28 -0.181 3.319 10.242 1.00 0.00 C ATOM 403 C PRO A 28 -0.589 2.045 10.975 1.00 0.00 C ATOM 404 O PRO A 28 -0.876 2.070 12.171 1.00 0.00 O ATOM 405 CB PRO A 28 0.349 4.359 11.233 1.00 0.00 C ATOM 406 CG PRO A 28 -0.828 5.217 11.546 1.00 0.00 C ATOM 407 CD PRO A 28 -1.655 5.261 10.291 1.00 0.00 C ATOM 0 HA PRO A 28 0.555 2.999 9.504 1.00 0.00 H new ATOM 0 HB2 PRO A 28 0.744 3.885 12.132 1.00 0.00 H new ATOM 0 HB3 PRO A 28 1.160 4.943 10.798 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -1.401 4.805 12.377 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -0.514 6.218 11.841 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -2.720 5.331 10.514 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -1.402 6.122 9.673 1.00 0.00 H new ATOM 415 N GLY A 29 -0.611 0.931 10.249 1.00 0.00 N ATOM 416 CA GLY A 29 -0.985 -0.337 10.847 1.00 0.00 C ATOM 417 C GLY A 29 -1.933 -1.134 9.972 1.00 0.00 C ATOM 418 O GLY A 29 -2.352 -2.231 10.339 1.00 0.00 O ATOM 0 H GLY A 29 -0.376 0.884 9.257 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.087 -0.926 11.034 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -1.454 -0.155 11.814 1.00 0.00 H new ATOM 422 N ASP A 30 -2.272 -0.580 8.813 1.00 0.00 N ATOM 423 CA ASP A 30 -3.176 -1.246 7.884 1.00 0.00 C ATOM 424 C ASP A 30 -2.402 -2.132 6.912 1.00 0.00 C ATOM 425 O ASP A 30 -1.202 -1.945 6.709 1.00 0.00 O ATOM 426 CB ASP A 30 -3.997 -0.214 7.109 1.00 0.00 C ATOM 427 CG ASP A 30 -5.274 0.170 7.831 1.00 0.00 C ATOM 428 OD1 ASP A 30 -5.181 0.750 8.933 1.00 0.00 O ATOM 429 OD2 ASP A 30 -6.366 -0.108 7.292 1.00 0.00 O ATOM 0 H ASP A 30 -1.934 0.328 8.495 1.00 0.00 H new ATOM 0 HA ASP A 30 -3.851 -1.876 8.463 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -3.393 0.678 6.946 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.245 -0.615 6.126 1.00 0.00 H new ATOM 434 N ILE A 31 -3.096 -3.095 6.316 1.00 0.00 N ATOM 435 CA ILE A 31 -2.474 -4.009 5.366 1.00 0.00 C ATOM 436 C ILE A 31 -2.874 -3.670 3.934 1.00 0.00 C ATOM 437 O ILE A 31 -4.060 -3.564 3.619 1.00 0.00 O ATOM 438 CB ILE A 31 -2.853 -5.472 5.661 1.00 0.00 C ATOM 439 CG1 ILE A 31 -2.473 -5.840 7.097 1.00 0.00 C ATOM 440 CG2 ILE A 31 -2.172 -6.405 4.671 1.00 0.00 C ATOM 441 CD1 ILE A 31 -0.990 -6.061 7.292 1.00 0.00 C ATOM 0 H ILE A 31 -4.090 -3.263 6.474 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.396 -3.893 5.476 1.00 0.00 H new ATOM 0 HB ILE A 31 -3.932 -5.582 5.551 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.805 -5.047 7.767 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.008 -6.745 7.385 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -2.449 -7.436 4.892 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.487 -6.154 3.658 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.091 -6.295 4.752 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.794 -6.318 8.333 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.656 -6.874 6.648 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.450 -5.150 7.036 1.00 0.00 H new ATOM 453 N ILE A 32 -1.878 -3.504 3.071 1.00 0.00 N ATOM 454 CA ILE A 32 -2.127 -3.181 1.671 1.00 0.00 C ATOM 455 C ILE A 32 -1.678 -4.315 0.757 1.00 0.00 C ATOM 456 O ILE A 32 -0.585 -4.860 0.914 1.00 0.00 O ATOM 457 CB ILE A 32 -1.405 -1.885 1.256 1.00 0.00 C ATOM 458 CG1 ILE A 32 -1.947 -0.696 2.051 1.00 0.00 C ATOM 459 CG2 ILE A 32 -1.564 -1.647 -0.238 1.00 0.00 C ATOM 460 CD1 ILE A 32 -1.224 -0.464 3.360 1.00 0.00 C ATOM 0 H ILE A 32 -0.891 -3.588 3.316 1.00 0.00 H new ATOM 0 HA ILE A 32 -3.202 -3.038 1.566 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.343 -1.991 1.477 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.873 0.203 1.440 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -3.006 -0.857 2.254 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.049 -0.728 -0.517 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.135 -2.485 -0.788 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.623 -1.558 -0.482 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.661 0.394 3.870 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.320 -1.348 3.990 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.169 -0.271 3.164 1.00 0.00 H new ATOM 472 N THR A 33 -2.529 -4.667 -0.202 1.00 0.00 N ATOM 473 CA THR A 33 -2.221 -5.737 -1.143 1.00 0.00 C ATOM 474 C THR A 33 -1.528 -5.192 -2.387 1.00 0.00 C ATOM 475 O THR A 33 -2.158 -4.556 -3.233 1.00 0.00 O ATOM 476 CB THR A 33 -3.492 -6.495 -1.568 1.00 0.00 C ATOM 477 OG1 THR A 33 -4.112 -7.093 -0.424 1.00 0.00 O ATOM 478 CG2 THR A 33 -3.164 -7.570 -2.593 1.00 0.00 C ATOM 0 H THR A 33 -3.437 -4.226 -0.347 1.00 0.00 H new ATOM 0 HA THR A 33 -1.551 -6.426 -0.629 1.00 0.00 H new ATOM 0 HB THR A 33 -4.179 -5.781 -2.021 1.00 0.00 H new ATOM 0 HG1 THR A 33 -4.920 -7.572 -0.703 1.00 0.00 H new ATOM 0 HG21 THR A 33 -4.078 -8.092 -2.878 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.720 -7.108 -3.475 1.00 0.00 H new ATOM 0 HG23 THR A 33 -2.459 -8.281 -2.162 1.00 0.00 H new ATOM 486 N LEU A 34 -0.228 -5.445 -2.493 1.00 0.00 N ATOM 487 CA LEU A 34 0.551 -4.980 -3.635 1.00 0.00 C ATOM 488 C LEU A 34 0.014 -5.568 -4.936 1.00 0.00 C ATOM 489 O LEU A 34 0.038 -6.783 -5.137 1.00 0.00 O ATOM 490 CB LEU A 34 2.023 -5.357 -3.461 1.00 0.00 C ATOM 491 CG LEU A 34 3.021 -4.584 -4.324 1.00 0.00 C ATOM 492 CD1 LEU A 34 3.192 -3.166 -3.801 1.00 0.00 C ATOM 493 CD2 LEU A 34 4.361 -5.304 -4.365 1.00 0.00 C ATOM 0 H LEU A 34 0.309 -5.969 -1.802 1.00 0.00 H new ATOM 0 HA LEU A 34 0.464 -3.895 -3.685 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.292 -5.215 -2.414 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.133 -6.420 -3.677 1.00 0.00 H new ATOM 0 HG LEU A 34 2.629 -4.531 -5.340 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.906 -2.631 -4.427 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.231 -2.651 -3.824 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.562 -3.198 -2.776 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.059 -4.739 -4.984 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.759 -5.389 -3.354 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.226 -6.300 -4.787 1.00 0.00 H new ATOM 505 N LEU A 35 -0.467 -4.699 -5.818 1.00 0.00 N ATOM 506 CA LEU A 35 -1.008 -5.131 -7.102 1.00 0.00 C ATOM 507 C LEU A 35 -0.048 -4.794 -8.238 1.00 0.00 C ATOM 508 O LEU A 35 0.269 -5.645 -9.068 1.00 0.00 O ATOM 509 CB LEU A 35 -2.366 -4.473 -7.353 1.00 0.00 C ATOM 510 CG LEU A 35 -3.476 -4.826 -6.363 1.00 0.00 C ATOM 511 CD1 LEU A 35 -4.721 -3.997 -6.640 1.00 0.00 C ATOM 512 CD2 LEU A 35 -3.797 -6.312 -6.429 1.00 0.00 C ATOM 0 H LEU A 35 -0.493 -3.691 -5.667 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.137 -6.213 -7.069 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.230 -3.392 -7.345 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.700 -4.745 -8.354 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.126 -4.595 -5.357 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.501 -4.262 -5.926 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.482 -2.938 -6.541 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.073 -4.196 -7.652 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -4.589 -6.545 -5.718 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.126 -6.569 -7.436 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.906 -6.888 -6.181 1.00 0.00 H new ATOM 524 N GLU A 36 0.412 -3.547 -8.267 1.00 0.00 N ATOM 525 CA GLU A 36 1.337 -3.098 -9.302 1.00 0.00 C ATOM 526 C GLU A 36 2.673 -2.683 -8.693 1.00 0.00 C ATOM 527 O GLU A 36 2.716 -1.956 -7.700 1.00 0.00 O ATOM 528 CB GLU A 36 0.734 -1.929 -10.084 1.00 0.00 C ATOM 529 CG GLU A 36 1.322 -1.760 -11.474 1.00 0.00 C ATOM 530 CD GLU A 36 0.587 -2.573 -12.522 1.00 0.00 C ATOM 531 OE1 GLU A 36 -0.051 -3.580 -12.149 1.00 0.00 O ATOM 532 OE2 GLU A 36 0.650 -2.204 -13.713 1.00 0.00 O ATOM 0 H GLU A 36 0.160 -2.830 -7.587 1.00 0.00 H new ATOM 0 HA GLU A 36 1.511 -3.930 -9.985 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -0.343 -2.077 -10.169 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.886 -1.009 -9.520 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.293 -0.706 -11.751 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.371 -2.057 -11.459 1.00 0.00 H new ATOM 539 N ASP A 37 3.761 -3.149 -9.296 1.00 0.00 N ATOM 540 CA ASP A 37 5.100 -2.826 -8.815 1.00 0.00 C ATOM 541 C ASP A 37 5.999 -2.385 -9.965 1.00 0.00 C ATOM 542 O ASP A 37 7.193 -2.682 -9.982 1.00 0.00 O ATOM 543 CB ASP A 37 5.715 -4.034 -8.105 1.00 0.00 C ATOM 544 CG ASP A 37 6.099 -5.139 -9.069 1.00 0.00 C ATOM 545 OD1 ASP A 37 5.212 -5.616 -9.808 1.00 0.00 O ATOM 546 OD2 ASP A 37 7.286 -5.525 -9.086 1.00 0.00 O ATOM 0 H ASP A 37 3.742 -3.752 -10.119 1.00 0.00 H new ATOM 0 HA ASP A 37 5.016 -2.002 -8.107 1.00 0.00 H new ATOM 0 HB2 ASP A 37 6.598 -3.715 -7.552 1.00 0.00 H new ATOM 0 HB3 ASP A 37 5.005 -4.423 -7.375 1.00 0.00 H new ATOM 551 N SER A 38 5.416 -1.675 -10.926 1.00 0.00 N ATOM 552 CA SER A 38 6.163 -1.196 -12.083 1.00 0.00 C ATOM 553 C SER A 38 6.950 0.065 -11.738 1.00 0.00 C ATOM 554 O SER A 38 8.073 0.255 -12.203 1.00 0.00 O ATOM 555 CB SER A 38 5.213 -0.915 -13.249 1.00 0.00 C ATOM 556 OG SER A 38 4.775 -2.120 -13.851 1.00 0.00 O ATOM 0 H SER A 38 4.429 -1.419 -10.926 1.00 0.00 H new ATOM 0 HA SER A 38 6.868 -1.974 -12.377 1.00 0.00 H new ATOM 0 HB2 SER A 38 4.352 -0.349 -12.893 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.717 -0.296 -13.991 1.00 0.00 H new ATOM 0 HG SER A 38 4.168 -1.914 -14.592 1.00 0.00 H new ATOM 562 N ASN A 39 6.351 0.923 -10.918 1.00 0.00 N ATOM 563 CA ASN A 39 6.995 2.166 -10.510 1.00 0.00 C ATOM 564 C ASN A 39 7.534 2.058 -9.087 1.00 0.00 C ATOM 565 O ASN A 39 6.832 2.362 -8.123 1.00 0.00 O ATOM 566 CB ASN A 39 6.008 3.331 -10.608 1.00 0.00 C ATOM 567 CG ASN A 39 5.242 3.333 -11.916 1.00 0.00 C ATOM 568 OD1 ASN A 39 4.451 2.429 -12.186 1.00 0.00 O ATOM 569 ND2 ASN A 39 5.475 4.351 -12.737 1.00 0.00 N ATOM 0 H ASN A 39 5.421 0.780 -10.523 1.00 0.00 H new ATOM 0 HA ASN A 39 7.833 2.351 -11.183 1.00 0.00 H new ATOM 0 HB2 ASN A 39 5.304 3.277 -9.778 1.00 0.00 H new ATOM 0 HB3 ASN A 39 6.549 4.272 -10.506 1.00 0.00 H new ATOM 0 HD21 ASN A 39 4.990 4.405 -13.632 1.00 0.00 H new ATOM 0 HD22 ASN A 39 6.139 5.078 -12.472 1.00 0.00 H new ATOM 576 N GLU A 40 8.784 1.625 -8.965 1.00 0.00 N ATOM 577 CA GLU A 40 9.416 1.477 -7.659 1.00 0.00 C ATOM 578 C GLU A 40 9.049 2.640 -6.742 1.00 0.00 C ATOM 579 O GLU A 40 8.853 2.459 -5.540 1.00 0.00 O ATOM 580 CB GLU A 40 10.937 1.393 -7.810 1.00 0.00 C ATOM 581 CG GLU A 40 11.403 0.191 -8.614 1.00 0.00 C ATOM 582 CD GLU A 40 11.589 -1.047 -7.757 1.00 0.00 C ATOM 583 OE1 GLU A 40 10.625 -1.443 -7.069 1.00 0.00 O ATOM 584 OE2 GLU A 40 12.699 -1.619 -7.776 1.00 0.00 O ATOM 0 H GLU A 40 9.379 1.371 -9.753 1.00 0.00 H new ATOM 0 HA GLU A 40 9.051 0.553 -7.210 1.00 0.00 H new ATOM 0 HB2 GLU A 40 11.297 2.303 -8.291 1.00 0.00 H new ATOM 0 HB3 GLU A 40 11.391 1.355 -6.820 1.00 0.00 H new ATOM 0 HG2 GLU A 40 10.677 -0.020 -9.399 1.00 0.00 H new ATOM 0 HG3 GLU A 40 12.345 0.432 -9.108 1.00 0.00 H new ATOM 591 N ASP A 41 8.959 3.834 -7.318 1.00 0.00 N ATOM 592 CA ASP A 41 8.614 5.027 -6.553 1.00 0.00 C ATOM 593 C ASP A 41 7.232 4.890 -5.924 1.00 0.00 C ATOM 594 O ASP A 41 7.085 4.957 -4.704 1.00 0.00 O ATOM 595 CB ASP A 41 8.659 6.264 -7.452 1.00 0.00 C ATOM 596 CG ASP A 41 10.015 6.460 -8.100 1.00 0.00 C ATOM 597 OD1 ASP A 41 10.349 5.687 -9.022 1.00 0.00 O ATOM 598 OD2 ASP A 41 10.744 7.386 -7.686 1.00 0.00 O ATOM 0 H ASP A 41 9.120 4.001 -8.311 1.00 0.00 H new ATOM 0 HA ASP A 41 9.346 5.140 -5.753 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.899 6.174 -8.228 1.00 0.00 H new ATOM 0 HB3 ASP A 41 8.410 7.147 -6.863 1.00 0.00 H new ATOM 603 N TRP A 42 6.222 4.698 -6.765 1.00 0.00 N ATOM 604 CA TRP A 42 4.850 4.552 -6.291 1.00 0.00 C ATOM 605 C TRP A 42 4.318 3.154 -6.585 1.00 0.00 C ATOM 606 O TRP A 42 4.460 2.648 -7.698 1.00 0.00 O ATOM 607 CB TRP A 42 3.949 5.602 -6.944 1.00 0.00 C ATOM 608 CG TRP A 42 4.331 7.010 -6.601 1.00 0.00 C ATOM 609 CD1 TRP A 42 5.357 7.734 -7.136 1.00 0.00 C ATOM 610 CD2 TRP A 42 3.692 7.862 -5.644 1.00 0.00 C ATOM 611 NE1 TRP A 42 5.395 8.985 -6.570 1.00 0.00 N ATOM 612 CE2 TRP A 42 4.384 9.089 -5.652 1.00 0.00 C ATOM 613 CE3 TRP A 42 2.603 7.709 -4.783 1.00 0.00 C ATOM 614 CZ2 TRP A 42 4.021 10.153 -4.831 1.00 0.00 C ATOM 615 CZ3 TRP A 42 2.243 8.766 -3.968 1.00 0.00 C ATOM 616 CH2 TRP A 42 2.950 9.976 -3.998 1.00 0.00 C ATOM 0 H TRP A 42 6.327 4.640 -7.778 1.00 0.00 H new ATOM 0 HA TRP A 42 4.847 4.701 -5.211 1.00 0.00 H new ATOM 0 HB2 TRP A 42 3.984 5.477 -8.026 1.00 0.00 H new ATOM 0 HB3 TRP A 42 2.918 5.428 -6.636 1.00 0.00 H new ATOM 0 HD1 TRP A 42 6.039 7.376 -7.893 1.00 0.00 H new ATOM 0 HE1 TRP A 42 6.067 9.718 -6.797 1.00 0.00 H new ATOM 0 HE3 TRP A 42 2.052 6.781 -4.754 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 4.566 11.085 -4.851 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 1.403 8.658 -3.297 1.00 0.00 H new ATOM 0 HH2 TRP A 42 2.643 10.784 -3.351 1.00 0.00 H new ATOM 627 N TRP A 43 3.707 2.536 -5.581 1.00 0.00 N ATOM 628 CA TRP A 43 3.154 1.195 -5.733 1.00 0.00 C ATOM 629 C TRP A 43 1.639 1.208 -5.558 1.00 0.00 C ATOM 630 O TRP A 43 1.112 1.881 -4.673 1.00 0.00 O ATOM 631 CB TRP A 43 3.788 0.241 -4.719 1.00 0.00 C ATOM 632 CG TRP A 43 5.166 -0.206 -5.106 1.00 0.00 C ATOM 633 CD1 TRP A 43 5.734 -0.130 -6.346 1.00 0.00 C ATOM 634 CD2 TRP A 43 6.146 -0.800 -4.249 1.00 0.00 C ATOM 635 NE1 TRP A 43 7.009 -0.641 -6.310 1.00 0.00 N ATOM 636 CE2 TRP A 43 7.286 -1.058 -5.035 1.00 0.00 C ATOM 637 CE3 TRP A 43 6.173 -1.137 -2.893 1.00 0.00 C ATOM 638 CZ2 TRP A 43 8.438 -1.637 -4.509 1.00 0.00 C ATOM 639 CZ3 TRP A 43 7.317 -1.712 -2.372 1.00 0.00 C ATOM 640 CH2 TRP A 43 8.436 -1.957 -3.178 1.00 0.00 C ATOM 0 H TRP A 43 3.582 2.942 -4.653 1.00 0.00 H new ATOM 0 HA TRP A 43 3.382 0.847 -6.741 1.00 0.00 H new ATOM 0 HB2 TRP A 43 3.833 0.732 -3.747 1.00 0.00 H new ATOM 0 HB3 TRP A 43 3.148 -0.634 -4.605 1.00 0.00 H new ATOM 0 HD1 TRP A 43 5.252 0.272 -7.225 1.00 0.00 H new ATOM 0 HE1 TRP A 43 7.646 -0.700 -7.104 1.00 0.00 H new ATOM 0 HE3 TRP A 43 5.315 -0.951 -2.263 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 9.302 -1.827 -5.129 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 7.349 -1.977 -1.325 1.00 0.00 H new ATOM 0 HH2 TRP A 43 9.315 -2.407 -2.741 1.00 0.00 H new ATOM 651 N LYS A 44 0.943 0.459 -6.407 1.00 0.00 N ATOM 652 CA LYS A 44 -0.511 0.383 -6.346 1.00 0.00 C ATOM 653 C LYS A 44 -0.959 -0.850 -5.567 1.00 0.00 C ATOM 654 O LYS A 44 -0.411 -1.938 -5.738 1.00 0.00 O ATOM 655 CB LYS A 44 -1.101 0.348 -7.758 1.00 0.00 C ATOM 656 CG LYS A 44 -2.607 0.543 -7.793 1.00 0.00 C ATOM 657 CD LYS A 44 -2.977 2.015 -7.862 1.00 0.00 C ATOM 658 CE LYS A 44 -4.432 2.206 -8.263 1.00 0.00 C ATOM 659 NZ LYS A 44 -4.646 1.943 -9.713 1.00 0.00 N ATOM 0 H LYS A 44 1.364 -0.104 -7.146 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.874 1.271 -5.829 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -0.628 1.125 -8.359 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.856 -0.608 -8.222 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.022 0.022 -8.655 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.053 0.096 -6.905 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -2.802 2.481 -6.892 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -2.331 2.520 -8.580 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.061 1.537 -7.676 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.743 3.224 -8.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.604 2.245 -9.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -3.946 2.475 -10.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.537 0.926 -9.901 1.00 0.00 H new ATOM 673 N GLY A 45 -1.961 -0.672 -4.710 1.00 0.00 N ATOM 674 CA GLY A 45 -2.466 -1.779 -3.919 1.00 0.00 C ATOM 675 C GLY A 45 -3.966 -1.707 -3.714 1.00 0.00 C ATOM 676 O GLY A 45 -4.596 -0.697 -4.026 1.00 0.00 O ATOM 0 H GLY A 45 -2.431 0.219 -4.550 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -2.214 -2.718 -4.411 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -1.969 -1.785 -2.949 1.00 0.00 H new ATOM 680 N LYS A 46 -4.541 -2.784 -3.188 1.00 0.00 N ATOM 681 CA LYS A 46 -5.977 -2.841 -2.941 1.00 0.00 C ATOM 682 C LYS A 46 -6.266 -3.053 -1.459 1.00 0.00 C ATOM 683 O LYS A 46 -5.923 -4.092 -0.893 1.00 0.00 O ATOM 684 CB LYS A 46 -6.612 -3.965 -3.762 1.00 0.00 C ATOM 685 CG LYS A 46 -8.049 -4.266 -3.372 1.00 0.00 C ATOM 686 CD LYS A 46 -8.667 -5.313 -4.284 1.00 0.00 C ATOM 687 CE LYS A 46 -8.994 -4.736 -5.653 1.00 0.00 C ATOM 688 NZ LYS A 46 -9.362 -5.799 -6.629 1.00 0.00 N ATOM 0 H LYS A 46 -4.034 -3.629 -2.925 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.411 -1.888 -3.245 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -6.580 -3.695 -4.818 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -6.016 -4.870 -3.646 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.081 -4.616 -2.340 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -8.638 -3.350 -3.416 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -7.979 -6.151 -4.396 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -9.575 -5.705 -3.827 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -9.817 -4.027 -5.561 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -8.134 -4.180 -6.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -9.578 -5.366 -7.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -8.568 -6.462 -6.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -10.198 -6.313 -6.284 1.00 0.00 H new ATOM 702 N ILE A 47 -6.901 -2.065 -0.837 1.00 0.00 N ATOM 703 CA ILE A 47 -7.238 -2.147 0.579 1.00 0.00 C ATOM 704 C ILE A 47 -8.676 -2.613 0.776 1.00 0.00 C ATOM 705 O ILE A 47 -9.483 -2.577 -0.153 1.00 0.00 O ATOM 706 CB ILE A 47 -7.050 -0.789 1.282 1.00 0.00 C ATOM 707 CG1 ILE A 47 -5.621 -0.280 1.082 1.00 0.00 C ATOM 708 CG2 ILE A 47 -7.373 -0.910 2.763 1.00 0.00 C ATOM 709 CD1 ILE A 47 -5.290 0.936 1.917 1.00 0.00 C ATOM 0 H ILE A 47 -7.192 -1.199 -1.291 1.00 0.00 H new ATOM 0 HA ILE A 47 -6.559 -2.875 1.023 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.737 -0.069 0.838 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -4.922 -1.080 1.326 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.474 -0.039 0.029 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -7.235 0.058 3.246 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.407 -1.232 2.885 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.708 -1.642 3.222 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -4.262 1.241 1.724 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -5.965 1.751 1.656 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -5.404 0.694 2.974 1.00 0.00 H new ATOM 721 N GLN A 48 -8.990 -3.049 1.991 1.00 0.00 N ATOM 722 CA GLN A 48 -10.333 -3.522 2.310 1.00 0.00 C ATOM 723 C GLN A 48 -11.384 -2.741 1.529 1.00 0.00 C ATOM 724 O GLN A 48 -12.037 -3.281 0.636 1.00 0.00 O ATOM 725 CB GLN A 48 -10.597 -3.397 3.811 1.00 0.00 C ATOM 726 CG GLN A 48 -9.741 -4.324 4.659 1.00 0.00 C ATOM 727 CD GLN A 48 -10.406 -4.695 5.970 1.00 0.00 C ATOM 728 OE1 GLN A 48 -11.357 -5.477 5.998 1.00 0.00 O ATOM 729 NE2 GLN A 48 -9.907 -4.135 7.066 1.00 0.00 N ATOM 0 H GLN A 48 -8.334 -3.085 2.771 1.00 0.00 H new ATOM 0 HA GLN A 48 -10.400 -4.572 2.023 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -10.417 -2.367 4.119 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -11.649 -3.608 4.005 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -9.527 -5.232 4.095 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -8.785 -3.843 4.864 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -9.118 -3.492 6.996 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -10.313 -4.348 7.977 1.00 0.00 H new ATOM 738 N ASP A 49 -11.543 -1.467 1.872 1.00 0.00 N ATOM 739 CA ASP A 49 -12.515 -0.611 1.203 1.00 0.00 C ATOM 740 C ASP A 49 -11.835 0.611 0.594 1.00 0.00 C ATOM 741 O ASP A 49 -12.494 1.588 0.236 1.00 0.00 O ATOM 742 CB ASP A 49 -13.600 -0.168 2.187 1.00 0.00 C ATOM 743 CG ASP A 49 -14.927 0.099 1.504 1.00 0.00 C ATOM 744 OD1 ASP A 49 -14.925 0.743 0.434 1.00 0.00 O ATOM 745 OD2 ASP A 49 -15.967 -0.337 2.039 1.00 0.00 O ATOM 0 H ASP A 49 -11.011 -1.005 2.609 1.00 0.00 H new ATOM 0 HA ASP A 49 -12.976 -1.186 0.400 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -13.734 -0.938 2.946 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -13.272 0.735 2.703 1.00 0.00 H new ATOM 750 N ARG A 50 -10.512 0.550 0.479 1.00 0.00 N ATOM 751 CA ARG A 50 -9.742 1.652 -0.084 1.00 0.00 C ATOM 752 C ARG A 50 -8.889 1.176 -1.256 1.00 0.00 C ATOM 753 O ARG A 50 -8.384 0.053 -1.253 1.00 0.00 O ATOM 754 CB ARG A 50 -8.850 2.280 0.988 1.00 0.00 C ATOM 755 CG ARG A 50 -9.516 3.418 1.745 1.00 0.00 C ATOM 756 CD ARG A 50 -10.343 2.902 2.912 1.00 0.00 C ATOM 757 NE ARG A 50 -11.176 3.948 3.497 1.00 0.00 N ATOM 758 CZ ARG A 50 -11.882 3.789 4.611 1.00 0.00 C ATOM 759 NH1 ARG A 50 -11.855 2.631 5.257 1.00 0.00 N ATOM 760 NH2 ARG A 50 -12.616 4.789 5.082 1.00 0.00 N ATOM 0 H ARG A 50 -9.951 -0.251 0.768 1.00 0.00 H new ATOM 0 HA ARG A 50 -10.443 2.403 -0.448 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -8.551 1.509 1.698 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -7.939 2.651 0.519 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -8.755 4.106 2.113 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -10.155 3.983 1.066 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -10.976 2.082 2.573 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -9.679 2.498 3.676 1.00 0.00 H new ATOM 0 HE ARG A 50 -11.218 4.851 3.024 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -11.291 1.860 4.899 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -12.398 2.511 6.112 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -12.639 5.681 4.589 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -13.158 4.665 5.937 1.00 0.00 H new ATOM 774 N ILE A 51 -8.733 2.036 -2.256 1.00 0.00 N ATOM 775 CA ILE A 51 -7.941 1.704 -3.434 1.00 0.00 C ATOM 776 C ILE A 51 -7.285 2.947 -4.025 1.00 0.00 C ATOM 777 O ILE A 51 -7.817 4.051 -3.920 1.00 0.00 O ATOM 778 CB ILE A 51 -8.800 1.026 -4.517 1.00 0.00 C ATOM 779 CG1 ILE A 51 -9.813 0.075 -3.876 1.00 0.00 C ATOM 780 CG2 ILE A 51 -7.916 0.278 -5.504 1.00 0.00 C ATOM 781 CD1 ILE A 51 -10.545 -0.792 -4.875 1.00 0.00 C ATOM 0 H ILE A 51 -9.145 2.969 -2.274 1.00 0.00 H new ATOM 0 HA ILE A 51 -7.167 1.009 -3.108 1.00 0.00 H new ATOM 0 HB ILE A 51 -9.347 1.797 -5.060 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -9.296 -0.566 -3.162 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -10.541 0.659 -3.312 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.538 -0.196 -6.263 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.231 0.978 -5.982 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.345 -0.485 -4.975 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -11.246 -1.440 -4.349 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -11.091 -0.159 -5.575 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -9.827 -1.403 -5.422 1.00 0.00 H new ATOM 793 N GLY A 52 -6.126 2.759 -4.648 1.00 0.00 N ATOM 794 CA GLY A 52 -5.417 3.874 -5.249 1.00 0.00 C ATOM 795 C GLY A 52 -3.912 3.726 -5.147 1.00 0.00 C ATOM 796 O GLY A 52 -3.410 2.685 -4.721 1.00 0.00 O ATOM 0 H GLY A 52 -5.665 1.855 -4.747 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -5.701 3.958 -6.298 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -5.722 4.800 -4.761 1.00 0.00 H new ATOM 800 N PHE A 53 -3.188 4.769 -5.540 1.00 0.00 N ATOM 801 CA PHE A 53 -1.731 4.750 -5.494 1.00 0.00 C ATOM 802 C PHE A 53 -1.225 5.164 -4.115 1.00 0.00 C ATOM 803 O PHE A 53 -1.948 5.789 -3.338 1.00 0.00 O ATOM 804 CB PHE A 53 -1.153 5.680 -6.562 1.00 0.00 C ATOM 805 CG PHE A 53 -1.734 5.457 -7.929 1.00 0.00 C ATOM 806 CD1 PHE A 53 -1.171 4.531 -8.793 1.00 0.00 C ATOM 807 CD2 PHE A 53 -2.844 6.173 -8.350 1.00 0.00 C ATOM 808 CE1 PHE A 53 -1.704 4.325 -10.052 1.00 0.00 C ATOM 809 CE2 PHE A 53 -3.381 5.970 -9.608 1.00 0.00 C ATOM 810 CZ PHE A 53 -2.810 5.044 -10.459 1.00 0.00 C ATOM 0 H PHE A 53 -3.587 5.638 -5.894 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.400 3.731 -5.693 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.329 6.714 -6.266 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.073 5.541 -6.608 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.307 3.964 -8.479 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -3.294 6.898 -7.688 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.255 3.602 -10.717 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.246 6.535 -9.925 1.00 0.00 H new ATOM 0 HZ PHE A 53 -3.228 4.883 -11.442 1.00 0.00 H new ATOM 820 N PHE A 54 0.021 4.812 -3.818 1.00 0.00 N ATOM 821 CA PHE A 54 0.624 5.145 -2.533 1.00 0.00 C ATOM 822 C PHE A 54 2.143 5.010 -2.593 1.00 0.00 C ATOM 823 O PHE A 54 2.689 4.181 -3.321 1.00 0.00 O ATOM 824 CB PHE A 54 0.064 4.241 -1.433 1.00 0.00 C ATOM 825 CG PHE A 54 0.463 2.800 -1.580 1.00 0.00 C ATOM 826 CD1 PHE A 54 -0.312 1.925 -2.325 1.00 0.00 C ATOM 827 CD2 PHE A 54 1.613 2.320 -0.973 1.00 0.00 C ATOM 828 CE1 PHE A 54 0.053 0.599 -2.463 1.00 0.00 C ATOM 829 CE2 PHE A 54 1.983 0.996 -1.108 1.00 0.00 C ATOM 830 CZ PHE A 54 1.201 0.134 -1.853 1.00 0.00 C ATOM 0 H PHE A 54 0.633 4.296 -4.450 1.00 0.00 H new ATOM 0 HA PHE A 54 0.378 6.182 -2.303 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.405 4.607 -0.464 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -1.024 4.311 -1.435 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.212 2.283 -2.803 1.00 0.00 H new ATOM 0 HD2 PHE A 54 2.227 2.989 -0.388 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -0.559 -0.072 -3.047 1.00 0.00 H new ATOM 0 HE2 PHE A 54 2.883 0.635 -0.632 1.00 0.00 H new ATOM 0 HZ PHE A 54 1.487 -0.902 -1.958 1.00 0.00 H new ATOM 840 N PRO A 55 2.842 5.845 -1.811 1.00 0.00 N ATOM 841 CA PRO A 55 4.307 5.840 -1.757 1.00 0.00 C ATOM 842 C PRO A 55 4.858 4.588 -1.081 1.00 0.00 C ATOM 843 O PRO A 55 4.397 4.197 -0.009 1.00 0.00 O ATOM 844 CB PRO A 55 4.636 7.084 -0.928 1.00 0.00 C ATOM 845 CG PRO A 55 3.427 7.310 -0.088 1.00 0.00 C ATOM 846 CD PRO A 55 2.257 6.859 -0.917 1.00 0.00 C ATOM 0 HA PRO A 55 4.751 5.845 -2.752 1.00 0.00 H new ATOM 0 HB2 PRO A 55 5.522 6.927 -0.313 1.00 0.00 H new ATOM 0 HB3 PRO A 55 4.840 7.943 -1.567 1.00 0.00 H new ATOM 0 HG2 PRO A 55 3.487 6.745 0.842 1.00 0.00 H new ATOM 0 HG3 PRO A 55 3.331 8.361 0.183 1.00 0.00 H new ATOM 0 HD2 PRO A 55 1.464 6.439 -0.298 1.00 0.00 H new ATOM 0 HD3 PRO A 55 1.820 7.685 -1.478 1.00 0.00 H new ATOM 854 N ALA A 56 5.846 3.965 -1.715 1.00 0.00 N ATOM 855 CA ALA A 56 6.461 2.760 -1.173 1.00 0.00 C ATOM 856 C ALA A 56 7.316 3.081 0.048 1.00 0.00 C ATOM 857 O ALA A 56 7.753 2.182 0.765 1.00 0.00 O ATOM 858 CB ALA A 56 7.298 2.069 -2.240 1.00 0.00 C ATOM 0 H ALA A 56 6.237 4.275 -2.604 1.00 0.00 H new ATOM 0 HA ALA A 56 5.665 2.085 -0.858 1.00 0.00 H new ATOM 0 HB1 ALA A 56 7.751 1.171 -1.821 1.00 0.00 H new ATOM 0 HB2 ALA A 56 6.661 1.796 -3.082 1.00 0.00 H new ATOM 0 HB3 ALA A 56 8.081 2.745 -2.582 1.00 0.00 H new ATOM 864 N ASN A 57 7.551 4.369 0.278 1.00 0.00 N ATOM 865 CA ASN A 57 8.356 4.808 1.412 1.00 0.00 C ATOM 866 C ASN A 57 7.502 4.931 2.670 1.00 0.00 C ATOM 867 O ASN A 57 8.019 5.160 3.764 1.00 0.00 O ATOM 868 CB ASN A 57 9.023 6.150 1.101 1.00 0.00 C ATOM 869 CG ASN A 57 10.117 6.495 2.093 1.00 0.00 C ATOM 870 OD1 ASN A 57 11.339 6.647 1.596 1.00 0.00 O flip ATOM 871 ND2 ASN A 57 9.866 6.624 3.291 1.00 0.00 N flip ATOM 0 H ASN A 57 7.196 5.126 -0.306 1.00 0.00 H new ATOM 0 HA ASN A 57 9.128 4.059 1.590 1.00 0.00 H new ATOM 0 HB2 ASN A 57 9.444 6.119 0.096 1.00 0.00 H new ATOM 0 HB3 ASN A 57 8.269 6.937 1.107 1.00 0.00 H new ATOM 0 HD21 ASN A 57 8.912 6.498 3.629 1.00 0.00 H new ATOM 0 HD22 ASN A 57 10.612 6.857 3.946 1.00 0.00 H new ATOM 878 N PHE A 58 6.193 4.776 2.507 1.00 0.00 N ATOM 879 CA PHE A 58 5.266 4.869 3.629 1.00 0.00 C ATOM 880 C PHE A 58 4.973 3.489 4.209 1.00 0.00 C ATOM 881 O PHE A 58 4.614 3.358 5.379 1.00 0.00 O ATOM 882 CB PHE A 58 3.962 5.536 3.187 1.00 0.00 C ATOM 883 CG PHE A 58 3.995 7.035 3.275 1.00 0.00 C ATOM 884 CD1 PHE A 58 4.908 7.766 2.531 1.00 0.00 C ATOM 885 CD2 PHE A 58 3.114 7.714 4.101 1.00 0.00 C ATOM 886 CE1 PHE A 58 4.941 9.145 2.611 1.00 0.00 C ATOM 887 CE2 PHE A 58 3.142 9.093 4.185 1.00 0.00 C ATOM 888 CZ PHE A 58 4.057 9.810 3.438 1.00 0.00 C ATOM 0 H PHE A 58 5.750 4.585 1.608 1.00 0.00 H new ATOM 0 HA PHE A 58 5.733 5.477 4.404 1.00 0.00 H new ATOM 0 HB2 PHE A 58 3.745 5.245 2.159 1.00 0.00 H new ATOM 0 HB3 PHE A 58 3.145 5.162 3.804 1.00 0.00 H new ATOM 0 HD1 PHE A 58 5.601 7.252 1.882 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.396 7.159 4.687 1.00 0.00 H new ATOM 0 HE1 PHE A 58 5.658 9.703 2.027 1.00 0.00 H new ATOM 0 HE2 PHE A 58 2.450 9.610 4.833 1.00 0.00 H new ATOM 0 HZ PHE A 58 4.081 10.888 3.501 1.00 0.00 H new ATOM 898 N VAL A 59 5.129 2.460 3.381 1.00 0.00 N ATOM 899 CA VAL A 59 4.882 1.089 3.811 1.00 0.00 C ATOM 900 C VAL A 59 6.190 0.329 4.002 1.00 0.00 C ATOM 901 O VAL A 59 7.271 0.863 3.753 1.00 0.00 O ATOM 902 CB VAL A 59 4.006 0.332 2.795 1.00 0.00 C ATOM 903 CG1 VAL A 59 2.778 1.153 2.433 1.00 0.00 C ATOM 904 CG2 VAL A 59 4.811 -0.015 1.552 1.00 0.00 C ATOM 0 H VAL A 59 5.425 2.550 2.409 1.00 0.00 H new ATOM 0 HA VAL A 59 4.355 1.146 4.764 1.00 0.00 H new ATOM 0 HB VAL A 59 3.670 -0.598 3.253 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.171 0.602 1.714 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.191 1.346 3.331 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.090 2.100 1.994 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.176 -0.549 0.845 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.179 0.901 1.089 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.656 -0.645 1.830 1.00 0.00 H new ATOM 914 N GLN A 60 6.084 -0.919 4.446 1.00 0.00 N ATOM 915 CA GLN A 60 7.259 -1.752 4.671 1.00 0.00 C ATOM 916 C GLN A 60 6.938 -3.223 4.428 1.00 0.00 C ATOM 917 O GLN A 60 6.017 -3.775 5.031 1.00 0.00 O ATOM 918 CB GLN A 60 7.780 -1.560 6.097 1.00 0.00 C ATOM 919 CG GLN A 60 9.093 -2.277 6.366 1.00 0.00 C ATOM 920 CD GLN A 60 9.549 -2.141 7.805 1.00 0.00 C ATOM 921 OE1 GLN A 60 9.239 -2.983 8.649 1.00 0.00 O ATOM 922 NE2 GLN A 60 10.289 -1.077 8.094 1.00 0.00 N ATOM 0 H GLN A 60 5.197 -1.375 4.657 1.00 0.00 H new ATOM 0 HA GLN A 60 8.031 -1.446 3.965 1.00 0.00 H new ATOM 0 HB2 GLN A 60 7.912 -0.495 6.287 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.029 -1.918 6.801 1.00 0.00 H new ATOM 0 HG2 GLN A 60 8.982 -3.334 6.123 1.00 0.00 H new ATOM 0 HG3 GLN A 60 9.863 -1.877 5.706 1.00 0.00 H new ATOM 0 HE21 GLN A 60 10.522 -0.404 7.364 1.00 0.00 H new ATOM 0 HE22 GLN A 60 10.624 -0.932 9.046 1.00 0.00 H new ATOM 931 N ARG A 61 7.703 -3.851 3.542 1.00 0.00 N ATOM 932 CA ARG A 61 7.499 -5.258 3.218 1.00 0.00 C ATOM 933 C ARG A 61 7.390 -6.098 4.487 1.00 0.00 C ATOM 934 O ARG A 61 8.111 -5.870 5.459 1.00 0.00 O ATOM 935 CB ARG A 61 8.647 -5.775 2.348 1.00 0.00 C ATOM 936 CG ARG A 61 8.436 -7.192 1.841 1.00 0.00 C ATOM 937 CD ARG A 61 8.932 -8.223 2.843 1.00 0.00 C ATOM 938 NE ARG A 61 9.004 -9.561 2.262 1.00 0.00 N ATOM 939 CZ ARG A 61 9.877 -9.909 1.324 1.00 0.00 C ATOM 940 NH1 ARG A 61 10.748 -9.022 0.863 1.00 0.00 N ATOM 941 NH2 ARG A 61 9.881 -11.146 0.845 1.00 0.00 N ATOM 0 H ARG A 61 8.470 -3.408 3.036 1.00 0.00 H new ATOM 0 HA ARG A 61 6.564 -5.345 2.664 1.00 0.00 H new ATOM 0 HB2 ARG A 61 8.774 -5.108 1.495 1.00 0.00 H new ATOM 0 HB3 ARG A 61 9.572 -5.738 2.923 1.00 0.00 H new ATOM 0 HG2 ARG A 61 7.376 -7.355 1.644 1.00 0.00 H new ATOM 0 HG3 ARG A 61 8.960 -7.322 0.894 1.00 0.00 H new ATOM 0 HD2 ARG A 61 9.918 -7.932 3.205 1.00 0.00 H new ATOM 0 HD3 ARG A 61 8.267 -8.238 3.707 1.00 0.00 H new ATOM 0 HE ARG A 61 8.348 -10.267 2.595 1.00 0.00 H new ATOM 0 HH11 ARG A 61 10.748 -8.070 1.229 1.00 0.00 H new ATOM 0 HH12 ARG A 61 11.418 -9.292 0.142 1.00 0.00 H new ATOM 0 HH21 ARG A 61 9.213 -11.831 1.197 1.00 0.00 H new ATOM 0 HH22 ARG A 61 10.552 -11.412 0.124 1.00 0.00 H new ATOM 955 N LEU A 62 6.484 -7.070 4.471 1.00 0.00 N ATOM 956 CA LEU A 62 6.279 -7.944 5.621 1.00 0.00 C ATOM 957 C LEU A 62 7.072 -9.238 5.468 1.00 0.00 C ATOM 958 O LEU A 62 6.875 -9.990 4.513 1.00 0.00 O ATOM 959 CB LEU A 62 4.792 -8.260 5.788 1.00 0.00 C ATOM 960 CG LEU A 62 3.994 -7.290 6.659 1.00 0.00 C ATOM 961 CD1 LEU A 62 2.503 -7.438 6.396 1.00 0.00 C ATOM 962 CD2 LEU A 62 4.302 -7.519 8.132 1.00 0.00 C ATOM 0 H LEU A 62 5.880 -7.273 3.675 1.00 0.00 H new ATOM 0 HA LEU A 62 6.635 -7.424 6.510 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.334 -8.290 4.799 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.699 -9.259 6.213 1.00 0.00 H new ATOM 0 HG LEU A 62 4.289 -6.273 6.400 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.951 -6.739 7.025 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.295 -7.224 5.348 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.192 -8.457 6.627 1.00 0.00 H new ATOM 0 HD21 LEU A 62 3.725 -6.820 8.737 1.00 0.00 H new ATOM 0 HD22 LEU A 62 4.036 -8.540 8.405 1.00 0.00 H new ATOM 0 HD23 LEU A 62 5.366 -7.361 8.310 1.00 0.00 H new ATOM 974 N SER A 63 7.967 -9.494 6.417 1.00 0.00 N ATOM 975 CA SER A 63 8.790 -10.697 6.387 1.00 0.00 C ATOM 976 C SER A 63 8.010 -11.902 6.903 1.00 0.00 C ATOM 977 O SER A 63 8.018 -12.196 8.098 1.00 0.00 O ATOM 978 CB SER A 63 10.054 -10.496 7.226 1.00 0.00 C ATOM 979 OG SER A 63 10.975 -11.554 7.022 1.00 0.00 O ATOM 0 H SER A 63 8.140 -8.884 7.216 1.00 0.00 H new ATOM 0 HA SER A 63 9.075 -10.887 5.352 1.00 0.00 H new ATOM 0 HB2 SER A 63 10.521 -9.547 6.963 1.00 0.00 H new ATOM 0 HB3 SER A 63 9.788 -10.439 8.282 1.00 0.00 H new ATOM 0 HG SER A 63 11.775 -11.402 7.568 1.00 0.00 H new ATOM 985 N GLY A 64 7.335 -12.597 5.992 1.00 0.00 N ATOM 986 CA GLY A 64 6.559 -13.762 6.373 1.00 0.00 C ATOM 987 C GLY A 64 5.384 -14.005 5.445 1.00 0.00 C ATOM 988 O GLY A 64 4.777 -13.071 4.921 1.00 0.00 O ATOM 0 H GLY A 64 7.312 -12.374 4.997 1.00 0.00 H new ATOM 0 HA2 GLY A 64 7.205 -14.640 6.374 1.00 0.00 H new ATOM 0 HA3 GLY A 64 6.193 -13.634 7.392 1.00 0.00 H new ATOM 992 N PRO A 65 5.051 -15.286 5.229 1.00 0.00 N ATOM 993 CA PRO A 65 3.940 -15.678 4.357 1.00 0.00 C ATOM 994 C PRO A 65 2.582 -15.322 4.952 1.00 0.00 C ATOM 995 O PRO A 65 1.748 -14.702 4.292 1.00 0.00 O ATOM 996 CB PRO A 65 4.094 -17.197 4.248 1.00 0.00 C ATOM 997 CG PRO A 65 4.815 -17.595 5.489 1.00 0.00 C ATOM 998 CD PRO A 65 5.731 -16.450 5.821 1.00 0.00 C ATOM 0 HA PRO A 65 3.974 -15.162 3.397 1.00 0.00 H new ATOM 0 HB2 PRO A 65 3.124 -17.689 4.179 1.00 0.00 H new ATOM 0 HB3 PRO A 65 4.657 -17.475 3.357 1.00 0.00 H new ATOM 0 HG2 PRO A 65 4.115 -17.784 6.303 1.00 0.00 H new ATOM 0 HG3 PRO A 65 5.380 -18.514 5.334 1.00 0.00 H new ATOM 0 HD2 PRO A 65 5.858 -16.336 6.898 1.00 0.00 H new ATOM 0 HD3 PRO A 65 6.724 -16.594 5.396 1.00 0.00 H new ATOM 1006 N SER A 66 2.366 -15.718 6.202 1.00 0.00 N ATOM 1007 CA SER A 66 1.107 -15.444 6.885 1.00 0.00 C ATOM 1008 C SER A 66 1.011 -13.972 7.276 1.00 0.00 C ATOM 1009 O SER A 66 1.440 -13.577 8.360 1.00 0.00 O ATOM 1010 CB SER A 66 0.975 -16.324 8.130 1.00 0.00 C ATOM 1011 OG SER A 66 -0.385 -16.593 8.422 1.00 0.00 O ATOM 0 H SER A 66 3.047 -16.230 6.763 1.00 0.00 H new ATOM 0 HA SER A 66 0.292 -15.674 6.199 1.00 0.00 H new ATOM 0 HB2 SER A 66 1.509 -17.261 7.975 1.00 0.00 H new ATOM 0 HB3 SER A 66 1.442 -15.828 8.981 1.00 0.00 H new ATOM 0 HG SER A 66 -0.443 -17.158 9.220 1.00 0.00 H new ATOM 1017 N SER A 67 0.445 -13.165 6.384 1.00 0.00 N ATOM 1018 CA SER A 67 0.296 -11.736 6.633 1.00 0.00 C ATOM 1019 C SER A 67 -1.174 -11.367 6.813 1.00 0.00 C ATOM 1020 O SER A 67 -2.057 -11.975 6.209 1.00 0.00 O ATOM 1021 CB SER A 67 0.898 -10.930 5.481 1.00 0.00 C ATOM 1022 OG SER A 67 2.314 -10.974 5.514 1.00 0.00 O ATOM 0 H SER A 67 0.082 -13.476 5.483 1.00 0.00 H new ATOM 0 HA SER A 67 0.829 -11.495 7.553 1.00 0.00 H new ATOM 0 HB2 SER A 67 0.541 -11.326 4.530 1.00 0.00 H new ATOM 0 HB3 SER A 67 0.562 -9.895 5.542 1.00 0.00 H new ATOM 0 HG SER A 67 2.675 -10.453 4.767 1.00 0.00 H new ATOM 1028 N GLY A 68 -1.428 -10.365 7.649 1.00 0.00 N ATOM 1029 CA GLY A 68 -2.791 -9.932 7.895 1.00 0.00 C ATOM 1030 C GLY A 68 -2.975 -9.355 9.285 1.00 0.00 C ATOM 1031 O GLY A 68 -2.120 -8.618 9.776 1.00 0.00 O ATOM 0 H GLY A 68 -0.714 -9.846 8.160 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -3.070 -9.183 7.154 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -3.467 -10.777 7.764 1.00 0.00 H new TER 1035 GLY A 68