USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 743 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 -2 SER OG : rot 25:sc= 1.48 USER MOD Set 1.2: A 55 LYS NZ :NH3+ -167:sc= 0.835 (180deg=0) USER MOD Set 2.1: A 51 SER OG : rot 170:sc= 0.152 USER MOD Set 2.2: A 52 THR OG1 : rot 180:sc= 0.0618 USER MOD Set 2.3: A 53 ASN : amide:sc= 1.62 K(o=1.8,f=-4!) USER MOD Set 3.1: A 5 LYS NZ :NH3+ -139:sc= 1.18 (180deg=0) USER MOD Set 3.2: A 58 GLN : amide:sc= 1.51 K(o=2.7,f=-2.5) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot 180:sc= 0.00489 USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -3 GLY N :NH3+ -131:sc= 0.0472 (180deg=0) USER MOD Single : A 12 CYS SG : rot 83:sc= 0.243 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl -174:sc= -0.334 (180deg=-0.421) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 15:sc= 0 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= 0.0493 K(o=0.049,f=-2.4!) USER MOD Single : A 32 GLN : amide:sc= 0.178 X(o=0.18,f=-0.075) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl 173:sc= 0 (180deg=-0.0362) USER MOD Single : A 36 CYS SG : rot 29:sc= 0.0394 USER MOD Single : A 44 ASN : amide:sc= -0.0542 K(o=-0.054,f=-0.58) USER MOD Single : A 45 TYR OH : rot -157:sc= 1.04 USER MOD Single : A 48 MET CE :methyl 170:sc= 0 (180deg=-0.0903) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot -17:sc= 0.096 USER MOD Single : A 60 ASN : amide:sc= 1.08 K(o=1.1,f=0) USER MOD Single : A 67 ASN : amide:sc= 0.637 K(o=0.64,f=-5.2!) USER MOD Single : A 68 TYR OH : rot 120:sc= 0 USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 LYS NZ :NH3+ 153:sc= 0.837 (180deg=0.361) USER MOD Single : A 77 SER OG : rot 171:sc= 0.144 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 16.479 -4.437 8.026 1.00 0.00 N ATOM 2 CA GLY A -3 15.769 -4.293 6.736 1.00 0.00 C ATOM 3 C GLY A -3 14.578 -5.234 6.640 1.00 0.00 C ATOM 4 O GLY A -3 14.043 -5.675 7.656 1.00 0.00 O ATOM 0 H1 GLY A -3 16.630 -3.498 8.446 1.00 0.00 H new ATOM 0 H2 GLY A -3 15.909 -5.018 8.673 1.00 0.00 H new ATOM 0 H3 GLY A -3 17.398 -4.897 7.867 1.00 0.00 H new ATOM 0 HA2 GLY A -3 15.429 -3.264 6.621 1.00 0.00 H new ATOM 0 HA3 GLY A -3 16.459 -4.495 5.917 1.00 0.00 H new ATOM 10 N SER A -2 14.144 -5.555 5.421 1.00 0.00 N ATOM 11 CA SER A -2 13.030 -6.471 5.097 1.00 0.00 C ATOM 12 C SER A -2 13.117 -6.928 3.627 1.00 0.00 C ATOM 13 O SER A -2 13.620 -6.198 2.769 1.00 0.00 O ATOM 14 CB SER A -2 11.666 -5.797 5.350 1.00 0.00 C ATOM 15 OG SER A -2 11.353 -5.739 6.736 1.00 0.00 O ATOM 0 H SER A -2 14.577 -5.167 4.583 1.00 0.00 H new ATOM 0 HA SER A -2 13.115 -7.340 5.749 1.00 0.00 H new ATOM 0 HB2 SER A -2 11.677 -4.788 4.938 1.00 0.00 H new ATOM 0 HB3 SER A -2 10.886 -6.347 4.824 1.00 0.00 H new ATOM 0 HG SER A -2 12.181 -5.759 7.260 1.00 0.00 H new ATOM 21 N SER A -1 12.636 -8.136 3.321 1.00 0.00 N ATOM 22 CA SER A -1 12.818 -8.813 2.019 1.00 0.00 C ATOM 23 C SER A -1 11.498 -9.247 1.339 1.00 0.00 C ATOM 24 O SER A -1 11.520 -9.935 0.312 1.00 0.00 O ATOM 25 CB SER A -1 13.760 -10.012 2.221 1.00 0.00 C ATOM 26 OG SER A -1 13.260 -10.911 3.211 1.00 0.00 O ATOM 0 H SER A -1 12.094 -8.691 3.984 1.00 0.00 H new ATOM 0 HA SER A -1 13.255 -8.089 1.331 1.00 0.00 H new ATOM 0 HB2 SER A -1 13.883 -10.542 1.276 1.00 0.00 H new ATOM 0 HB3 SER A -1 14.746 -9.655 2.518 1.00 0.00 H new ATOM 0 HG SER A -1 13.881 -11.662 3.314 1.00 0.00 H new ATOM 32 N GLY A 0 10.345 -8.846 1.896 1.00 0.00 N ATOM 33 CA GLY A 0 9.002 -9.150 1.381 1.00 0.00 C ATOM 34 C GLY A 0 8.517 -8.157 0.320 1.00 0.00 C ATOM 35 O GLY A 0 9.303 -7.569 -0.423 1.00 0.00 O ATOM 0 H GLY A 0 10.322 -8.282 2.746 1.00 0.00 H new ATOM 0 HA2 GLY A 0 9.003 -10.153 0.955 1.00 0.00 H new ATOM 0 HA3 GLY A 0 8.296 -9.157 2.211 1.00 0.00 H new ATOM 39 N SER A 1 7.201 -7.962 0.249 1.00 0.00 N ATOM 40 CA SER A 1 6.518 -7.152 -0.780 1.00 0.00 C ATOM 41 C SER A 1 6.707 -5.624 -0.638 1.00 0.00 C ATOM 42 O SER A 1 6.147 -4.856 -1.418 1.00 0.00 O ATOM 43 CB SER A 1 5.017 -7.495 -0.786 1.00 0.00 C ATOM 44 OG SER A 1 4.807 -8.897 -0.924 1.00 0.00 O ATOM 0 H SER A 1 6.554 -8.372 0.922 1.00 0.00 H new ATOM 0 HA SER A 1 6.989 -7.414 -1.727 1.00 0.00 H new ATOM 0 HB2 SER A 1 4.558 -7.146 0.139 1.00 0.00 H new ATOM 0 HB3 SER A 1 4.525 -6.969 -1.604 1.00 0.00 H new ATOM 0 HG SER A 1 3.845 -9.085 -0.923 1.00 0.00 H new ATOM 50 N SER A 2 7.501 -5.157 0.330 1.00 0.00 N ATOM 51 CA SER A 2 7.744 -3.742 0.665 1.00 0.00 C ATOM 52 C SER A 2 8.317 -2.877 -0.478 1.00 0.00 C ATOM 53 O SER A 2 8.321 -1.648 -0.380 1.00 0.00 O ATOM 54 CB SER A 2 8.699 -3.674 1.870 1.00 0.00 C ATOM 55 OG SER A 2 8.318 -4.569 2.912 1.00 0.00 O ATOM 0 H SER A 2 8.023 -5.788 0.938 1.00 0.00 H new ATOM 0 HA SER A 2 6.763 -3.321 0.884 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.711 -3.911 1.543 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.719 -2.656 2.258 1.00 0.00 H new ATOM 0 HG SER A 2 8.952 -4.494 3.656 1.00 0.00 H new ATOM 61 N GLY A 3 8.757 -3.488 -1.587 1.00 0.00 N ATOM 62 CA GLY A 3 9.270 -2.789 -2.771 1.00 0.00 C ATOM 63 C GLY A 3 8.228 -1.917 -3.476 1.00 0.00 C ATOM 64 O GLY A 3 8.606 -0.953 -4.136 1.00 0.00 O ATOM 0 H GLY A 3 8.766 -4.503 -1.687 1.00 0.00 H new ATOM 0 HA2 GLY A 3 10.112 -2.164 -2.475 1.00 0.00 H new ATOM 0 HA3 GLY A 3 9.652 -3.525 -3.478 1.00 0.00 H new ATOM 68 N ILE A 4 6.926 -2.183 -3.306 1.00 0.00 N ATOM 69 CA ILE A 4 5.848 -1.307 -3.820 1.00 0.00 C ATOM 70 C ILE A 4 5.724 0.007 -3.029 1.00 0.00 C ATOM 71 O ILE A 4 5.431 1.055 -3.602 1.00 0.00 O ATOM 72 CB ILE A 4 4.515 -2.087 -3.887 1.00 0.00 C ATOM 73 CG1 ILE A 4 3.403 -1.355 -4.665 1.00 0.00 C ATOM 74 CG2 ILE A 4 3.964 -2.404 -2.489 1.00 0.00 C ATOM 75 CD1 ILE A 4 3.709 -1.098 -6.141 1.00 0.00 C ATOM 0 H ILE A 4 6.584 -3.007 -2.811 1.00 0.00 H new ATOM 0 HA ILE A 4 6.114 -1.007 -4.833 1.00 0.00 H new ATOM 0 HB ILE A 4 4.773 -3.003 -4.419 1.00 0.00 H new ATOM 0 HG12 ILE A 4 2.486 -1.941 -4.596 1.00 0.00 H new ATOM 0 HG13 ILE A 4 3.208 -0.399 -4.178 1.00 0.00 H new ATOM 0 HG21 ILE A 4 3.027 -2.953 -2.583 1.00 0.00 H new ATOM 0 HG22 ILE A 4 4.686 -3.010 -1.942 1.00 0.00 H new ATOM 0 HG23 ILE A 4 3.787 -1.474 -1.948 1.00 0.00 H new ATOM 0 HD11 ILE A 4 2.868 -0.579 -6.602 1.00 0.00 H new ATOM 0 HD12 ILE A 4 4.605 -0.483 -6.225 1.00 0.00 H new ATOM 0 HD13 ILE A 4 3.872 -2.048 -6.650 1.00 0.00 H new ATOM 87 N LYS A 5 6.032 -0.021 -1.729 1.00 0.00 N ATOM 88 CA LYS A 5 6.072 1.164 -0.861 1.00 0.00 C ATOM 89 C LYS A 5 7.244 2.074 -1.267 1.00 0.00 C ATOM 90 O LYS A 5 7.075 3.282 -1.445 1.00 0.00 O ATOM 91 CB LYS A 5 6.143 0.664 0.598 1.00 0.00 C ATOM 92 CG LYS A 5 5.635 1.616 1.678 1.00 0.00 C ATOM 93 CD LYS A 5 6.563 2.810 1.936 1.00 0.00 C ATOM 94 CE LYS A 5 6.091 3.509 3.211 1.00 0.00 C ATOM 95 NZ LYS A 5 6.670 2.915 4.444 1.00 0.00 N ATOM 0 H LYS A 5 6.266 -0.884 -1.239 1.00 0.00 H new ATOM 0 HA LYS A 5 5.179 1.780 -0.964 1.00 0.00 H new ATOM 0 HB2 LYS A 5 5.574 -0.263 0.667 1.00 0.00 H new ATOM 0 HB3 LYS A 5 7.181 0.418 0.823 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.652 1.987 1.389 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.505 1.061 2.607 1.00 0.00 H new ATOM 0 HD2 LYS A 5 7.594 2.474 2.045 1.00 0.00 H new ATOM 0 HD3 LYS A 5 6.540 3.500 1.092 1.00 0.00 H new ATOM 0 HE2 LYS A 5 6.359 4.564 3.161 1.00 0.00 H new ATOM 0 HE3 LYS A 5 5.004 3.459 3.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 5.938 2.863 5.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 7.022 1.958 4.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 7.456 3.508 4.779 1.00 0.00 H new ATOM 109 N ASN A 6 8.410 1.475 -1.525 1.00 0.00 N ATOM 110 CA ASN A 6 9.571 2.171 -2.088 1.00 0.00 C ATOM 111 C ASN A 6 9.326 2.668 -3.528 1.00 0.00 C ATOM 112 O ASN A 6 9.828 3.727 -3.900 1.00 0.00 O ATOM 113 CB ASN A 6 10.786 1.235 -2.033 1.00 0.00 C ATOM 114 CG ASN A 6 12.075 1.943 -2.449 1.00 0.00 C ATOM 115 OD1 ASN A 6 12.468 2.950 -1.871 1.00 0.00 O ATOM 116 ND2 ASN A 6 12.764 1.444 -3.459 1.00 0.00 N ATOM 0 H ASN A 6 8.576 0.484 -1.347 1.00 0.00 H new ATOM 0 HA ASN A 6 9.757 3.062 -1.488 1.00 0.00 H new ATOM 0 HB2 ASN A 6 10.897 0.845 -1.021 1.00 0.00 H new ATOM 0 HB3 ASN A 6 10.615 0.380 -2.687 1.00 0.00 H new ATOM 0 HD21 ASN A 6 13.627 1.897 -3.761 1.00 0.00 H new ATOM 0 HD22 ASN A 6 12.433 0.606 -3.937 1.00 0.00 H new ATOM 123 N PHE A 7 8.524 1.952 -4.330 1.00 0.00 N ATOM 124 CA PHE A 7 8.199 2.342 -5.705 1.00 0.00 C ATOM 125 C PHE A 7 7.303 3.585 -5.753 1.00 0.00 C ATOM 126 O PHE A 7 7.587 4.493 -6.533 1.00 0.00 O ATOM 127 CB PHE A 7 7.559 1.164 -6.448 1.00 0.00 C ATOM 128 CG PHE A 7 7.117 1.496 -7.861 1.00 0.00 C ATOM 129 CD1 PHE A 7 8.051 1.503 -8.913 1.00 0.00 C ATOM 130 CD2 PHE A 7 5.775 1.836 -8.117 1.00 0.00 C ATOM 131 CE1 PHE A 7 7.642 1.845 -10.214 1.00 0.00 C ATOM 132 CE2 PHE A 7 5.369 2.178 -9.416 1.00 0.00 C ATOM 133 CZ PHE A 7 6.302 2.180 -10.468 1.00 0.00 C ATOM 0 H PHE A 7 8.081 1.081 -4.038 1.00 0.00 H new ATOM 0 HA PHE A 7 9.129 2.609 -6.208 1.00 0.00 H new ATOM 0 HB2 PHE A 7 8.272 0.340 -6.485 1.00 0.00 H new ATOM 0 HB3 PHE A 7 6.696 0.815 -5.881 1.00 0.00 H new ATOM 0 HD1 PHE A 7 9.082 1.246 -8.721 1.00 0.00 H new ATOM 0 HD2 PHE A 7 5.056 1.834 -7.311 1.00 0.00 H new ATOM 0 HE1 PHE A 7 8.360 1.850 -11.020 1.00 0.00 H new ATOM 0 HE2 PHE A 7 4.339 2.440 -9.608 1.00 0.00 H new ATOM 0 HZ PHE A 7 5.989 2.438 -11.469 1.00 0.00 H new ATOM 143 N LEU A 8 6.278 3.674 -4.893 1.00 0.00 N ATOM 144 CA LEU A 8 5.468 4.892 -4.764 1.00 0.00 C ATOM 145 C LEU A 8 6.326 6.076 -4.300 1.00 0.00 C ATOM 146 O LEU A 8 6.238 7.163 -4.871 1.00 0.00 O ATOM 147 CB LEU A 8 4.291 4.632 -3.804 1.00 0.00 C ATOM 148 CG LEU A 8 3.331 5.832 -3.632 1.00 0.00 C ATOM 149 CD1 LEU A 8 2.758 6.351 -4.962 1.00 0.00 C ATOM 150 CD2 LEU A 8 2.170 5.427 -2.713 1.00 0.00 C ATOM 0 H LEU A 8 5.991 2.915 -4.276 1.00 0.00 H new ATOM 0 HA LEU A 8 5.063 5.156 -5.741 1.00 0.00 H new ATOM 0 HB2 LEU A 8 3.722 3.777 -4.169 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.689 4.357 -2.827 1.00 0.00 H new ATOM 0 HG LEU A 8 3.917 6.642 -3.197 1.00 0.00 H new ATOM 0 HD11 LEU A 8 2.093 7.193 -4.768 1.00 0.00 H new ATOM 0 HD12 LEU A 8 3.574 6.675 -5.608 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.200 5.554 -5.454 1.00 0.00 H new ATOM 0 HD21 LEU A 8 1.492 6.271 -2.590 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.631 4.590 -3.156 1.00 0.00 H new ATOM 0 HD23 LEU A 8 2.562 5.132 -1.740 1.00 0.00 H new ATOM 162 N TYR A 9 7.201 5.857 -3.315 1.00 0.00 N ATOM 163 CA TYR A 9 8.115 6.885 -2.810 1.00 0.00 C ATOM 164 C TYR A 9 9.099 7.385 -3.887 1.00 0.00 C ATOM 165 O TYR A 9 9.294 8.592 -4.034 1.00 0.00 O ATOM 166 CB TYR A 9 8.846 6.333 -1.577 1.00 0.00 C ATOM 167 CG TYR A 9 9.659 7.370 -0.828 1.00 0.00 C ATOM 168 CD1 TYR A 9 11.000 7.614 -1.184 1.00 0.00 C ATOM 169 CD2 TYR A 9 9.070 8.099 0.224 1.00 0.00 C ATOM 170 CE1 TYR A 9 11.749 8.593 -0.502 1.00 0.00 C ATOM 171 CE2 TYR A 9 9.813 9.076 0.912 1.00 0.00 C ATOM 172 CZ TYR A 9 11.155 9.330 0.549 1.00 0.00 C ATOM 173 OH TYR A 9 11.870 10.278 1.217 1.00 0.00 O ATOM 0 H TYR A 9 7.296 4.958 -2.843 1.00 0.00 H new ATOM 0 HA TYR A 9 7.532 7.761 -2.524 1.00 0.00 H new ATOM 0 HB2 TYR A 9 8.113 5.900 -0.896 1.00 0.00 H new ATOM 0 HB3 TYR A 9 9.507 5.525 -1.890 1.00 0.00 H new ATOM 0 HD1 TYR A 9 11.456 7.048 -1.983 1.00 0.00 H new ATOM 0 HD2 TYR A 9 8.045 7.907 0.503 1.00 0.00 H new ATOM 0 HE1 TYR A 9 12.775 8.781 -0.781 1.00 0.00 H new ATOM 0 HE2 TYR A 9 9.357 9.632 1.718 1.00 0.00 H new ATOM 0 HH TYR A 9 11.307 10.687 1.907 1.00 0.00 H new ATOM 183 N ALA A 10 9.673 6.475 -4.683 1.00 0.00 N ATOM 184 CA ALA A 10 10.568 6.801 -5.796 1.00 0.00 C ATOM 185 C ALA A 10 9.843 7.515 -6.951 1.00 0.00 C ATOM 186 O ALA A 10 10.374 8.480 -7.499 1.00 0.00 O ATOM 187 CB ALA A 10 11.246 5.508 -6.268 1.00 0.00 C ATOM 0 H ALA A 10 9.524 5.472 -4.568 1.00 0.00 H new ATOM 0 HA ALA A 10 11.320 7.508 -5.446 1.00 0.00 H new ATOM 0 HB1 ALA A 10 11.917 5.731 -7.097 1.00 0.00 H new ATOM 0 HB2 ALA A 10 11.816 5.075 -5.446 1.00 0.00 H new ATOM 0 HB3 ALA A 10 10.487 4.798 -6.596 1.00 0.00 H new ATOM 193 N TRP A 11 8.617 7.101 -7.287 1.00 0.00 N ATOM 194 CA TRP A 11 7.774 7.764 -8.288 1.00 0.00 C ATOM 195 C TRP A 11 7.440 9.205 -7.880 1.00 0.00 C ATOM 196 O TRP A 11 7.592 10.132 -8.677 1.00 0.00 O ATOM 197 CB TRP A 11 6.497 6.939 -8.489 1.00 0.00 C ATOM 198 CG TRP A 11 5.514 7.545 -9.441 1.00 0.00 C ATOM 199 CD1 TRP A 11 5.455 7.334 -10.776 1.00 0.00 C ATOM 200 CD2 TRP A 11 4.432 8.478 -9.140 1.00 0.00 C ATOM 201 NE1 TRP A 11 4.434 8.090 -11.322 1.00 0.00 N ATOM 202 CE2 TRP A 11 3.776 8.821 -10.356 1.00 0.00 C ATOM 203 CE3 TRP A 11 3.932 9.060 -7.955 1.00 0.00 C ATOM 204 CZ2 TRP A 11 2.697 9.713 -10.395 1.00 0.00 C ATOM 205 CZ3 TRP A 11 2.842 9.950 -7.982 1.00 0.00 C ATOM 206 CH2 TRP A 11 2.229 10.283 -9.201 1.00 0.00 C ATOM 0 H TRP A 11 8.176 6.284 -6.865 1.00 0.00 H new ATOM 0 HA TRP A 11 8.322 7.822 -9.229 1.00 0.00 H new ATOM 0 HB2 TRP A 11 6.772 5.948 -8.851 1.00 0.00 H new ATOM 0 HB3 TRP A 11 6.012 6.802 -7.523 1.00 0.00 H new ATOM 0 HD1 TRP A 11 6.106 6.675 -11.331 1.00 0.00 H new ATOM 0 HE1 TRP A 11 4.198 8.105 -12.314 1.00 0.00 H new ATOM 0 HE3 TRP A 11 4.395 8.818 -7.010 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 2.229 9.960 -11.336 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 2.475 10.379 -7.061 1.00 0.00 H new ATOM 0 HH2 TRP A 11 1.400 10.975 -9.219 1.00 0.00 H new ATOM 217 N CYS A 12 7.062 9.405 -6.612 1.00 0.00 N ATOM 218 CA CYS A 12 6.864 10.733 -6.022 1.00 0.00 C ATOM 219 C CYS A 12 8.147 11.584 -6.097 1.00 0.00 C ATOM 220 O CYS A 12 8.093 12.738 -6.526 1.00 0.00 O ATOM 221 CB CYS A 12 6.396 10.570 -4.569 1.00 0.00 C ATOM 222 SG CYS A 12 4.706 9.915 -4.473 1.00 0.00 S ATOM 0 H CYS A 12 6.883 8.641 -5.960 1.00 0.00 H new ATOM 0 HA CYS A 12 6.101 11.262 -6.593 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.075 9.901 -4.041 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.441 11.534 -4.062 1.00 0.00 H new ATOM 0 HG CYS A 12 4.736 8.619 -4.577 1.00 0.00 H new ATOM 228 N GLY A 13 9.305 11.005 -5.760 1.00 0.00 N ATOM 229 CA GLY A 13 10.606 11.689 -5.750 1.00 0.00 C ATOM 230 C GLY A 13 11.107 12.103 -7.138 1.00 0.00 C ATOM 231 O GLY A 13 11.814 13.102 -7.256 1.00 0.00 O ATOM 0 H GLY A 13 9.367 10.026 -5.480 1.00 0.00 H new ATOM 0 HA2 GLY A 13 10.532 12.577 -5.122 1.00 0.00 H new ATOM 0 HA3 GLY A 13 11.345 11.034 -5.289 1.00 0.00 H new ATOM 235 N LYS A 14 10.684 11.408 -8.202 1.00 0.00 N ATOM 236 CA LYS A 14 10.959 11.781 -9.602 1.00 0.00 C ATOM 237 C LYS A 14 10.061 12.935 -10.100 1.00 0.00 C ATOM 238 O LYS A 14 10.294 13.487 -11.179 1.00 0.00 O ATOM 239 CB LYS A 14 10.816 10.527 -10.485 1.00 0.00 C ATOM 240 CG LYS A 14 11.986 9.549 -10.292 1.00 0.00 C ATOM 241 CD LYS A 14 11.743 8.243 -11.061 1.00 0.00 C ATOM 242 CE LYS A 14 12.924 7.286 -10.852 1.00 0.00 C ATOM 243 NZ LYS A 14 12.745 6.016 -11.603 1.00 0.00 N ATOM 0 H LYS A 14 10.131 10.555 -8.116 1.00 0.00 H new ATOM 0 HA LYS A 14 11.979 12.160 -9.666 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.879 10.022 -10.249 1.00 0.00 H new ATOM 0 HB3 LYS A 14 10.762 10.825 -11.532 1.00 0.00 H new ATOM 0 HG2 LYS A 14 12.911 10.011 -10.636 1.00 0.00 H new ATOM 0 HG3 LYS A 14 12.113 9.333 -9.231 1.00 0.00 H new ATOM 0 HD2 LYS A 14 10.820 7.775 -10.718 1.00 0.00 H new ATOM 0 HD3 LYS A 14 11.618 8.454 -12.123 1.00 0.00 H new ATOM 0 HE2 LYS A 14 13.846 7.771 -11.173 1.00 0.00 H new ATOM 0 HE3 LYS A 14 13.031 7.068 -9.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 13.563 5.396 -11.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 11.879 5.540 -11.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 12.668 6.222 -12.620 1.00 0.00 H new ATOM 257 N ARG A 15 9.052 13.307 -9.300 1.00 0.00 N ATOM 258 CA ARG A 15 8.045 14.345 -9.560 1.00 0.00 C ATOM 259 C ARG A 15 8.071 15.477 -8.509 1.00 0.00 C ATOM 260 O ARG A 15 7.165 16.311 -8.485 1.00 0.00 O ATOM 261 CB ARG A 15 6.664 13.669 -9.627 1.00 0.00 C ATOM 262 CG ARG A 15 6.550 12.633 -10.762 1.00 0.00 C ATOM 263 CD ARG A 15 5.176 11.956 -10.819 1.00 0.00 C ATOM 264 NE ARG A 15 4.079 12.910 -11.088 1.00 0.00 N ATOM 265 CZ ARG A 15 3.129 12.809 -12.014 1.00 0.00 C ATOM 266 NH1 ARG A 15 3.138 11.890 -12.954 1.00 0.00 N ATOM 267 NH2 ARG A 15 2.120 13.651 -12.003 1.00 0.00 N ATOM 0 H ARG A 15 8.908 12.861 -8.394 1.00 0.00 H new ATOM 0 HA ARG A 15 8.273 14.827 -10.511 1.00 0.00 H new ATOM 0 HB2 ARG A 15 6.460 13.179 -8.675 1.00 0.00 H new ATOM 0 HB3 ARG A 15 5.899 14.433 -9.763 1.00 0.00 H new ATOM 0 HG2 ARG A 15 6.747 13.123 -11.715 1.00 0.00 H new ATOM 0 HG3 ARG A 15 7.319 11.872 -10.630 1.00 0.00 H new ATOM 0 HD2 ARG A 15 5.185 11.191 -11.595 1.00 0.00 H new ATOM 0 HD3 ARG A 15 4.986 11.448 -9.873 1.00 0.00 H new ATOM 0 HE ARG A 15 4.047 13.740 -10.496 1.00 0.00 H new ATOM 0 HH11 ARG A 15 3.898 11.211 -12.996 1.00 0.00 H new ATOM 0 HH12 ARG A 15 2.385 11.856 -13.641 1.00 0.00 H new ATOM 0 HH21 ARG A 15 2.069 14.376 -11.288 1.00 0.00 H new ATOM 0 HH22 ARG A 15 1.388 13.579 -12.710 1.00 0.00 H new ATOM 281 N LYS A 16 9.081 15.503 -7.625 1.00 0.00 N ATOM 282 CA LYS A 16 9.272 16.488 -6.536 1.00 0.00 C ATOM 283 C LYS A 16 8.169 16.434 -5.447 1.00 0.00 C ATOM 284 O LYS A 16 7.848 17.444 -4.814 1.00 0.00 O ATOM 285 CB LYS A 16 9.512 17.906 -7.109 1.00 0.00 C ATOM 286 CG LYS A 16 10.700 17.963 -8.088 1.00 0.00 C ATOM 287 CD LYS A 16 11.041 19.394 -8.531 1.00 0.00 C ATOM 288 CE LYS A 16 9.903 20.037 -9.340 1.00 0.00 C ATOM 289 NZ LYS A 16 10.265 21.400 -9.811 1.00 0.00 N ATOM 0 H LYS A 16 9.825 14.806 -7.647 1.00 0.00 H new ATOM 0 HA LYS A 16 10.178 16.202 -6.002 1.00 0.00 H new ATOM 0 HB2 LYS A 16 8.610 18.244 -7.620 1.00 0.00 H new ATOM 0 HB3 LYS A 16 9.691 18.599 -6.287 1.00 0.00 H new ATOM 0 HG2 LYS A 16 11.575 17.516 -7.616 1.00 0.00 H new ATOM 0 HG3 LYS A 16 10.469 17.361 -8.967 1.00 0.00 H new ATOM 0 HD2 LYS A 16 11.250 20.005 -7.653 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.950 19.380 -9.133 1.00 0.00 H new ATOM 0 HE2 LYS A 16 9.665 19.407 -10.197 1.00 0.00 H new ATOM 0 HE3 LYS A 16 9.005 20.091 -8.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.473 21.802 -10.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 10.468 22.008 -8.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 11.107 21.345 -10.418 1.00 0.00 H new ATOM 303 N MET A 17 7.582 15.251 -5.230 1.00 0.00 N ATOM 304 CA MET A 17 6.530 14.956 -4.242 1.00 0.00 C ATOM 305 C MET A 17 7.020 13.954 -3.180 1.00 0.00 C ATOM 306 O MET A 17 8.075 13.331 -3.339 1.00 0.00 O ATOM 307 CB MET A 17 5.296 14.387 -4.970 1.00 0.00 C ATOM 308 CG MET A 17 4.698 15.368 -5.984 1.00 0.00 C ATOM 309 SD MET A 17 3.106 14.870 -6.696 1.00 0.00 S ATOM 310 CE MET A 17 3.530 13.243 -7.366 1.00 0.00 C ATOM 0 H MET A 17 7.841 14.425 -5.769 1.00 0.00 H new ATOM 0 HA MET A 17 6.268 15.882 -3.730 1.00 0.00 H new ATOM 0 HB2 MET A 17 5.575 13.467 -5.483 1.00 0.00 H new ATOM 0 HB3 MET A 17 4.536 14.124 -4.235 1.00 0.00 H new ATOM 0 HG2 MET A 17 4.574 16.336 -5.499 1.00 0.00 H new ATOM 0 HG3 MET A 17 5.413 15.508 -6.795 1.00 0.00 H new ATOM 0 HE1 MET A 17 2.684 12.850 -7.931 1.00 0.00 H new ATOM 0 HE2 MET A 17 4.394 13.334 -8.024 1.00 0.00 H new ATOM 0 HE3 MET A 17 3.767 12.563 -6.548 1.00 0.00 H new ATOM 320 N THR A 18 6.198 13.740 -2.143 1.00 0.00 N ATOM 321 CA THR A 18 6.404 12.760 -1.059 1.00 0.00 C ATOM 322 C THR A 18 5.047 12.156 -0.665 1.00 0.00 C ATOM 323 O THR A 18 4.115 12.935 -0.444 1.00 0.00 O ATOM 324 CB THR A 18 7.054 13.435 0.163 1.00 0.00 C ATOM 325 OG1 THR A 18 8.226 14.116 -0.233 1.00 0.00 O ATOM 326 CG2 THR A 18 7.460 12.417 1.232 1.00 0.00 C ATOM 0 H THR A 18 5.332 14.267 -2.029 1.00 0.00 H new ATOM 0 HA THR A 18 7.071 11.972 -1.409 1.00 0.00 H new ATOM 0 HB THR A 18 6.313 14.119 0.577 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.635 14.545 0.548 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.914 12.937 2.076 1.00 0.00 H new ATOM 0 HG22 THR A 18 6.578 11.875 1.572 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.178 11.713 0.810 1.00 0.00 H new ATOM 334 N PRO A 19 4.901 10.816 -0.570 1.00 0.00 N ATOM 335 CA PRO A 19 3.663 10.181 -0.126 1.00 0.00 C ATOM 336 C PRO A 19 3.517 10.285 1.397 1.00 0.00 C ATOM 337 O PRO A 19 4.499 10.200 2.136 1.00 0.00 O ATOM 338 CB PRO A 19 3.763 8.729 -0.598 1.00 0.00 C ATOM 339 CG PRO A 19 5.264 8.451 -0.547 1.00 0.00 C ATOM 340 CD PRO A 19 5.894 9.801 -0.896 1.00 0.00 C ATOM 0 HA PRO A 19 2.777 10.664 -0.538 1.00 0.00 H new ATOM 0 HB2 PRO A 19 3.206 8.054 0.052 1.00 0.00 H new ATOM 0 HB3 PRO A 19 3.364 8.604 -1.605 1.00 0.00 H new ATOM 0 HG2 PRO A 19 5.574 8.107 0.440 1.00 0.00 H new ATOM 0 HG3 PRO A 19 5.553 7.678 -1.259 1.00 0.00 H new ATOM 0 HD2 PRO A 19 6.811 9.959 -0.329 1.00 0.00 H new ATOM 0 HD3 PRO A 19 6.160 9.844 -1.952 1.00 0.00 H new ATOM 348 N ALA A 20 2.277 10.458 1.865 1.00 0.00 N ATOM 349 CA ALA A 20 1.933 10.638 3.276 1.00 0.00 C ATOM 350 C ALA A 20 0.989 9.522 3.752 1.00 0.00 C ATOM 351 O ALA A 20 -0.115 9.369 3.228 1.00 0.00 O ATOM 352 CB ALA A 20 1.311 12.030 3.446 1.00 0.00 C ATOM 0 H ALA A 20 1.461 10.477 1.253 1.00 0.00 H new ATOM 0 HA ALA A 20 2.827 10.571 3.896 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.047 12.185 4.492 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.029 12.790 3.137 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.415 12.106 2.830 1.00 0.00 H new ATOM 358 N TYR A 21 1.431 8.753 4.752 1.00 0.00 N ATOM 359 CA TYR A 21 0.736 7.570 5.281 1.00 0.00 C ATOM 360 C TYR A 21 0.037 7.841 6.630 1.00 0.00 C ATOM 361 O TYR A 21 0.435 8.732 7.387 1.00 0.00 O ATOM 362 CB TYR A 21 1.740 6.411 5.438 1.00 0.00 C ATOM 363 CG TYR A 21 2.353 5.897 4.146 1.00 0.00 C ATOM 364 CD1 TYR A 21 3.462 6.553 3.577 1.00 0.00 C ATOM 365 CD2 TYR A 21 1.827 4.749 3.517 1.00 0.00 C ATOM 366 CE1 TYR A 21 4.018 6.092 2.370 1.00 0.00 C ATOM 367 CE2 TYR A 21 2.384 4.276 2.313 1.00 0.00 C ATOM 368 CZ TYR A 21 3.471 4.962 1.724 1.00 0.00 C ATOM 369 OH TYR A 21 3.997 4.546 0.540 1.00 0.00 O ATOM 0 H TYR A 21 2.311 8.941 5.233 1.00 0.00 H new ATOM 0 HA TYR A 21 -0.043 7.305 4.566 1.00 0.00 H new ATOM 0 HB2 TYR A 21 2.545 6.737 6.097 1.00 0.00 H new ATOM 0 HB3 TYR A 21 1.237 5.582 5.936 1.00 0.00 H new ATOM 0 HD1 TYR A 21 3.888 7.414 4.070 1.00 0.00 H new ATOM 0 HD2 TYR A 21 0.991 4.229 3.962 1.00 0.00 H new ATOM 0 HE1 TYR A 21 4.865 6.603 1.937 1.00 0.00 H new ATOM 0 HE2 TYR A 21 1.982 3.392 1.841 1.00 0.00 H new ATOM 0 HH TYR A 21 4.869 4.972 0.402 1.00 0.00 H new ATOM 379 N GLU A 22 -0.967 7.025 6.960 1.00 0.00 N ATOM 380 CA GLU A 22 -1.668 7.002 8.249 1.00 0.00 C ATOM 381 C GLU A 22 -2.086 5.560 8.582 1.00 0.00 C ATOM 382 O GLU A 22 -2.372 4.776 7.677 1.00 0.00 O ATOM 383 CB GLU A 22 -2.866 7.969 8.204 1.00 0.00 C ATOM 384 CG GLU A 22 -3.518 8.164 9.579 1.00 0.00 C ATOM 385 CD GLU A 22 -4.558 9.295 9.546 1.00 0.00 C ATOM 386 OE1 GLU A 22 -4.179 10.473 9.746 1.00 0.00 O ATOM 387 OE2 GLU A 22 -5.761 9.012 9.334 1.00 0.00 O ATOM 0 H GLU A 22 -1.331 6.331 6.308 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.008 7.342 9.047 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.535 8.935 7.823 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.610 7.588 7.504 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.996 7.236 9.893 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.751 8.393 10.319 1.00 0.00 H new ATOM 394 N ILE A 23 -2.086 5.183 9.867 1.00 0.00 N ATOM 395 CA ILE A 23 -2.247 3.792 10.346 1.00 0.00 C ATOM 396 C ILE A 23 -3.240 3.725 11.523 1.00 0.00 C ATOM 397 O ILE A 23 -3.304 4.644 12.344 1.00 0.00 O ATOM 398 CB ILE A 23 -0.856 3.194 10.705 1.00 0.00 C ATOM 399 CG1 ILE A 23 0.022 3.090 9.433 1.00 0.00 C ATOM 400 CG2 ILE A 23 -0.955 1.817 11.399 1.00 0.00 C ATOM 401 CD1 ILE A 23 1.420 2.501 9.647 1.00 0.00 C ATOM 0 H ILE A 23 -1.971 5.852 10.629 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.673 3.183 9.549 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.392 3.874 11.419 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -0.503 2.479 8.699 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.128 4.086 9.002 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.046 1.451 11.625 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.523 1.916 12.324 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.459 1.112 10.738 1.00 0.00 H new ATOM 0 HD11 ILE A 23 1.952 2.472 8.696 1.00 0.00 H new ATOM 0 HD12 ILE A 23 1.972 3.121 10.353 1.00 0.00 H new ATOM 0 HD13 ILE A 23 1.332 1.490 10.044 1.00 0.00 H new ATOM 413 N ARG A 24 -3.988 2.616 11.608 1.00 0.00 N ATOM 414 CA ARG A 24 -4.965 2.291 12.659 1.00 0.00 C ATOM 415 C ARG A 24 -4.788 0.836 13.118 1.00 0.00 C ATOM 416 O ARG A 24 -4.580 -0.051 12.292 1.00 0.00 O ATOM 417 CB ARG A 24 -6.381 2.514 12.096 1.00 0.00 C ATOM 418 CG ARG A 24 -7.492 2.318 13.139 1.00 0.00 C ATOM 419 CD ARG A 24 -8.878 2.527 12.523 1.00 0.00 C ATOM 420 NE ARG A 24 -9.938 2.240 13.504 1.00 0.00 N ATOM 421 CZ ARG A 24 -11.247 2.279 13.284 1.00 0.00 C ATOM 422 NH1 ARG A 24 -11.751 2.602 12.110 1.00 0.00 N ATOM 423 NH2 ARG A 24 -12.081 1.988 14.259 1.00 0.00 N ATOM 0 H ARG A 24 -3.924 1.879 10.906 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.810 2.935 13.524 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -6.448 3.524 11.691 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -6.546 1.826 11.267 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.426 1.314 13.559 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -7.348 3.018 13.962 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -8.972 3.554 12.170 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -8.996 1.879 11.654 1.00 0.00 H new ATOM 0 HE ARG A 24 -9.637 1.986 14.445 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -11.130 2.832 11.334 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -12.762 2.622 11.977 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -11.721 1.734 15.179 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -13.087 2.017 14.095 1.00 0.00 H new ATOM 437 N ALA A 25 -4.912 0.578 14.420 1.00 0.00 N ATOM 438 CA ALA A 25 -4.931 -0.772 15.001 1.00 0.00 C ATOM 439 C ALA A 25 -6.374 -1.308 15.107 1.00 0.00 C ATOM 440 O ALA A 25 -7.284 -0.570 15.493 1.00 0.00 O ATOM 441 CB ALA A 25 -4.242 -0.728 16.370 1.00 0.00 C ATOM 0 H ALA A 25 -5.004 1.315 15.119 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.389 -1.460 14.352 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.249 -1.724 16.813 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.212 -0.392 16.248 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.774 -0.037 17.023 1.00 0.00 H new ATOM 447 N VAL A 26 -6.577 -2.584 14.774 1.00 0.00 N ATOM 448 CA VAL A 26 -7.882 -3.275 14.701 1.00 0.00 C ATOM 449 C VAL A 26 -7.737 -4.754 15.110 1.00 0.00 C ATOM 450 O VAL A 26 -6.641 -5.199 15.451 1.00 0.00 O ATOM 451 CB VAL A 26 -8.541 -3.137 13.300 1.00 0.00 C ATOM 452 CG1 VAL A 26 -8.873 -1.679 12.937 1.00 0.00 C ATOM 453 CG2 VAL A 26 -7.691 -3.758 12.178 1.00 0.00 C ATOM 0 H VAL A 26 -5.801 -3.202 14.534 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.551 -2.787 15.410 1.00 0.00 H new ATOM 0 HB VAL A 26 -9.474 -3.695 13.378 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -9.331 -1.645 11.948 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -9.566 -1.270 13.672 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.957 -1.087 12.933 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.201 -3.632 11.223 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.721 -3.262 12.140 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.548 -4.820 12.375 1.00 0.00 H new ATOM 463 N GLY A 27 -8.830 -5.526 15.096 1.00 0.00 N ATOM 464 CA GLY A 27 -8.827 -6.964 15.402 1.00 0.00 C ATOM 465 C GLY A 27 -9.114 -7.260 16.877 1.00 0.00 C ATOM 466 O GLY A 27 -9.899 -6.557 17.516 1.00 0.00 O ATOM 0 H GLY A 27 -9.756 -5.165 14.868 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -9.574 -7.463 14.784 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.858 -7.385 15.134 1.00 0.00 H new ATOM 470 N ASN A 28 -8.506 -8.328 17.399 1.00 0.00 N ATOM 471 CA ASN A 28 -8.758 -8.871 18.741 1.00 0.00 C ATOM 472 C ASN A 28 -7.520 -8.794 19.656 1.00 0.00 C ATOM 473 O ASN A 28 -6.387 -8.659 19.190 1.00 0.00 O ATOM 474 CB ASN A 28 -9.248 -10.322 18.597 1.00 0.00 C ATOM 475 CG ASN A 28 -10.571 -10.424 17.840 1.00 0.00 C ATOM 476 OD1 ASN A 28 -11.585 -9.867 18.242 1.00 0.00 O ATOM 477 ND2 ASN A 28 -10.602 -11.134 16.725 1.00 0.00 N ATOM 0 H ASN A 28 -7.802 -8.857 16.885 1.00 0.00 H new ATOM 0 HA ASN A 28 -9.522 -8.261 19.222 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -8.490 -10.907 18.077 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -9.366 -10.762 19.587 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -11.471 -11.218 16.198 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -9.757 -11.597 16.392 1.00 0.00 H new ATOM 484 N LYS A 29 -7.719 -8.932 20.973 1.00 0.00 N ATOM 485 CA LYS A 29 -6.643 -8.897 21.982 1.00 0.00 C ATOM 486 C LYS A 29 -5.609 -10.031 21.813 1.00 0.00 C ATOM 487 O LYS A 29 -4.407 -9.817 21.979 1.00 0.00 O ATOM 488 CB LYS A 29 -7.315 -8.917 23.368 1.00 0.00 C ATOM 489 CG LYS A 29 -6.305 -8.824 24.521 1.00 0.00 C ATOM 490 CD LYS A 29 -7.021 -8.653 25.868 1.00 0.00 C ATOM 491 CE LYS A 29 -5.995 -8.567 27.005 1.00 0.00 C ATOM 492 NZ LYS A 29 -6.652 -8.398 28.328 1.00 0.00 N ATOM 0 H LYS A 29 -8.645 -9.073 21.378 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.058 -7.986 21.856 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.017 -8.086 23.438 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.895 -9.834 23.472 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.690 -9.724 24.544 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -5.633 -7.983 24.353 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -7.633 -7.751 25.851 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -7.695 -9.492 26.039 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -5.386 -9.471 27.014 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -5.321 -7.730 26.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -5.927 -8.344 29.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.213 -7.523 28.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.276 -9.209 28.512 1.00 0.00 H new ATOM 506 N ASN A 30 -6.074 -11.227 21.437 1.00 0.00 N ATOM 507 CA ASN A 30 -5.243 -12.415 21.177 1.00 0.00 C ATOM 508 C ASN A 30 -4.585 -12.437 19.779 1.00 0.00 C ATOM 509 O ASN A 30 -3.552 -13.081 19.588 1.00 0.00 O ATOM 510 CB ASN A 30 -6.097 -13.677 21.388 1.00 0.00 C ATOM 511 CG ASN A 30 -7.176 -13.909 20.326 1.00 0.00 C ATOM 512 OD1 ASN A 30 -7.802 -12.984 19.826 1.00 0.00 O ATOM 513 ND2 ASN A 30 -7.415 -15.150 19.942 1.00 0.00 N ATOM 0 H ASN A 30 -7.069 -11.404 21.300 1.00 0.00 H new ATOM 0 HA ASN A 30 -4.414 -12.381 21.884 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -5.438 -14.545 21.411 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -6.576 -13.615 22.365 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -8.121 -15.336 19.229 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -6.894 -15.922 20.358 1.00 0.00 H new ATOM 520 N ARG A 31 -5.188 -11.730 18.816 1.00 0.00 N ATOM 521 CA ARG A 31 -4.752 -11.613 17.418 1.00 0.00 C ATOM 522 C ARG A 31 -5.073 -10.212 16.878 1.00 0.00 C ATOM 523 O ARG A 31 -6.161 -9.956 16.354 1.00 0.00 O ATOM 524 CB ARG A 31 -5.374 -12.751 16.585 1.00 0.00 C ATOM 525 CG ARG A 31 -4.793 -12.808 15.160 1.00 0.00 C ATOM 526 CD ARG A 31 -5.367 -13.969 14.335 1.00 0.00 C ATOM 527 NE ARG A 31 -5.016 -15.291 14.891 1.00 0.00 N ATOM 528 CZ ARG A 31 -3.866 -15.943 14.747 1.00 0.00 C ATOM 529 NH1 ARG A 31 -2.857 -15.448 14.060 1.00 0.00 N ATOM 530 NH2 ARG A 31 -3.715 -17.125 15.304 1.00 0.00 N ATOM 0 H ARG A 31 -6.037 -11.196 19.000 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.670 -11.725 17.347 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.200 -13.703 17.086 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -6.454 -12.612 16.531 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.999 -11.867 14.649 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -3.709 -12.909 15.217 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -6.452 -13.875 14.289 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -4.997 -13.900 13.312 1.00 0.00 H new ATOM 0 HE ARG A 31 -5.735 -15.755 15.447 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -2.942 -14.534 13.616 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -1.990 -15.979 13.972 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -4.477 -17.536 15.842 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -2.835 -17.630 15.197 1.00 0.00 H new ATOM 544 N GLN A 32 -4.121 -9.298 17.048 1.00 0.00 N ATOM 545 CA GLN A 32 -4.221 -7.902 16.619 1.00 0.00 C ATOM 546 C GLN A 32 -3.838 -7.757 15.134 1.00 0.00 C ATOM 547 O GLN A 32 -3.049 -8.535 14.593 1.00 0.00 O ATOM 548 CB GLN A 32 -3.350 -7.034 17.549 1.00 0.00 C ATOM 549 CG GLN A 32 -3.550 -5.522 17.341 1.00 0.00 C ATOM 550 CD GLN A 32 -2.801 -4.670 18.371 1.00 0.00 C ATOM 551 OE1 GLN A 32 -2.827 -4.912 19.573 1.00 0.00 O ATOM 552 NE2 GLN A 32 -2.107 -3.633 17.948 1.00 0.00 N ATOM 0 H GLN A 32 -3.233 -9.512 17.501 1.00 0.00 H new ATOM 0 HA GLN A 32 -5.251 -7.556 16.698 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -3.578 -7.284 18.585 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -2.301 -7.280 17.385 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -3.213 -5.251 16.340 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -4.614 -5.292 17.392 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -2.072 -3.414 16.952 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -1.604 -3.049 18.616 1.00 0.00 H new ATOM 561 N LYS A 33 -4.406 -6.743 14.482 1.00 0.00 N ATOM 562 CA LYS A 33 -4.241 -6.405 13.064 1.00 0.00 C ATOM 563 C LYS A 33 -4.117 -4.880 12.876 1.00 0.00 C ATOM 564 O LYS A 33 -4.424 -4.098 13.784 1.00 0.00 O ATOM 565 CB LYS A 33 -5.445 -6.967 12.281 1.00 0.00 C ATOM 566 CG LYS A 33 -5.423 -8.496 12.132 1.00 0.00 C ATOM 567 CD LYS A 33 -6.606 -8.974 11.279 1.00 0.00 C ATOM 568 CE LYS A 33 -6.575 -10.503 11.141 1.00 0.00 C ATOM 569 NZ LYS A 33 -7.704 -11.003 10.314 1.00 0.00 N ATOM 0 H LYS A 33 -5.033 -6.094 14.957 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.322 -6.851 12.683 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.365 -6.673 12.786 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.466 -6.514 11.290 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.486 -8.808 11.671 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.465 -8.963 13.116 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -7.544 -8.662 11.737 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.563 -8.511 10.293 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.631 -10.809 10.691 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.619 -10.959 12.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -7.650 -12.039 10.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -8.605 -10.733 10.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -7.648 -10.587 9.362 1.00 0.00 H new ATOM 583 N PHE A 34 -3.703 -4.445 11.686 1.00 0.00 N ATOM 584 CA PHE A 34 -3.500 -3.039 11.333 1.00 0.00 C ATOM 585 C PHE A 34 -4.094 -2.714 9.961 1.00 0.00 C ATOM 586 O PHE A 34 -4.045 -3.526 9.036 1.00 0.00 O ATOM 587 CB PHE A 34 -2.001 -2.703 11.369 1.00 0.00 C ATOM 588 CG PHE A 34 -1.390 -2.754 12.755 1.00 0.00 C ATOM 589 CD1 PHE A 34 -1.432 -1.620 13.588 1.00 0.00 C ATOM 590 CD2 PHE A 34 -0.787 -3.939 13.219 1.00 0.00 C ATOM 591 CE1 PHE A 34 -0.857 -1.667 14.871 1.00 0.00 C ATOM 592 CE2 PHE A 34 -0.203 -3.983 14.495 1.00 0.00 C ATOM 593 CZ PHE A 34 -0.228 -2.843 15.318 1.00 0.00 C ATOM 0 H PHE A 34 -3.493 -5.081 10.917 1.00 0.00 H new ATOM 0 HA PHE A 34 -4.021 -2.424 12.067 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -1.468 -3.400 10.722 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -1.853 -1.706 10.954 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -1.906 -0.713 13.242 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -0.774 -4.817 12.591 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -0.899 -0.800 15.513 1.00 0.00 H new ATOM 0 HE2 PHE A 34 0.265 -4.892 14.844 1.00 0.00 H new ATOM 0 HZ PHE A 34 0.236 -2.870 16.293 1.00 0.00 H new ATOM 603 N MET A 35 -4.612 -1.494 9.835 1.00 0.00 N ATOM 604 CA MET A 35 -5.073 -0.873 8.590 1.00 0.00 C ATOM 605 C MET A 35 -4.223 0.363 8.288 1.00 0.00 C ATOM 606 O MET A 35 -3.673 0.981 9.201 1.00 0.00 O ATOM 607 CB MET A 35 -6.555 -0.473 8.686 1.00 0.00 C ATOM 608 CG MET A 35 -7.451 -1.607 9.198 1.00 0.00 C ATOM 609 SD MET A 35 -9.229 -1.310 9.019 1.00 0.00 S ATOM 610 CE MET A 35 -9.410 -1.623 7.245 1.00 0.00 C ATOM 0 H MET A 35 -4.729 -0.878 10.639 1.00 0.00 H new ATOM 0 HA MET A 35 -4.968 -1.599 7.784 1.00 0.00 H new ATOM 0 HB2 MET A 35 -6.651 0.386 9.350 1.00 0.00 H new ATOM 0 HB3 MET A 35 -6.905 -0.157 7.703 1.00 0.00 H new ATOM 0 HG2 MET A 35 -7.194 -2.523 8.665 1.00 0.00 H new ATOM 0 HG3 MET A 35 -7.230 -1.779 10.251 1.00 0.00 H new ATOM 0 HE1 MET A 35 -10.467 -1.607 6.979 1.00 0.00 H new ATOM 0 HE2 MET A 35 -8.883 -0.851 6.684 1.00 0.00 H new ATOM 0 HE3 MET A 35 -8.989 -2.599 7.003 1.00 0.00 H new ATOM 620 N CYS A 36 -4.132 0.744 7.016 1.00 0.00 N ATOM 621 CA CYS A 36 -3.314 1.857 6.547 1.00 0.00 C ATOM 622 C CYS A 36 -3.976 2.594 5.374 1.00 0.00 C ATOM 623 O CYS A 36 -4.653 1.987 4.542 1.00 0.00 O ATOM 624 CB CYS A 36 -1.922 1.309 6.198 1.00 0.00 C ATOM 625 SG CYS A 36 -0.799 2.662 5.750 1.00 0.00 S ATOM 0 H CYS A 36 -4.638 0.275 6.265 1.00 0.00 H new ATOM 0 HA CYS A 36 -3.213 2.607 7.332 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -1.518 0.760 7.048 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -1.999 0.604 5.370 1.00 0.00 H new ATOM 0 HG CYS A 36 -1.152 3.745 6.377 1.00 0.00 H new ATOM 631 N GLU A 37 -3.753 3.902 5.320 1.00 0.00 N ATOM 632 CA GLU A 37 -4.155 4.806 4.246 1.00 0.00 C ATOM 633 C GLU A 37 -2.922 5.571 3.742 1.00 0.00 C ATOM 634 O GLU A 37 -2.042 5.903 4.537 1.00 0.00 O ATOM 635 CB GLU A 37 -5.201 5.811 4.753 1.00 0.00 C ATOM 636 CG GLU A 37 -6.528 5.166 5.176 1.00 0.00 C ATOM 637 CD GLU A 37 -7.547 6.199 5.686 1.00 0.00 C ATOM 638 OE1 GLU A 37 -7.559 7.351 5.189 1.00 0.00 O ATOM 639 OE2 GLU A 37 -8.355 5.855 6.580 1.00 0.00 O ATOM 0 H GLU A 37 -3.258 4.389 6.067 1.00 0.00 H new ATOM 0 HA GLU A 37 -4.591 4.221 3.436 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -4.786 6.356 5.601 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -5.397 6.543 3.969 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -6.953 4.628 4.329 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.338 4.431 5.958 1.00 0.00 H new ATOM 646 N VAL A 38 -2.876 5.895 2.445 1.00 0.00 N ATOM 647 CA VAL A 38 -1.828 6.737 1.835 1.00 0.00 C ATOM 648 C VAL A 38 -2.419 7.752 0.852 1.00 0.00 C ATOM 649 O VAL A 38 -3.365 7.447 0.127 1.00 0.00 O ATOM 650 CB VAL A 38 -0.709 5.891 1.181 1.00 0.00 C ATOM 651 CG1 VAL A 38 -1.173 5.163 -0.087 1.00 0.00 C ATOM 652 CG2 VAL A 38 0.526 6.740 0.829 1.00 0.00 C ATOM 0 H VAL A 38 -3.575 5.577 1.774 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.365 7.302 2.644 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.443 5.149 1.934 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.345 4.587 -0.500 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.995 4.491 0.159 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.509 5.893 -0.823 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.286 6.105 0.373 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.240 7.525 0.129 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.928 7.192 1.736 1.00 0.00 H new ATOM 662 N ARG A 39 -1.845 8.959 0.839 1.00 0.00 N ATOM 663 CA ARG A 39 -2.241 10.104 0.008 1.00 0.00 C ATOM 664 C ARG A 39 -1.003 10.804 -0.579 1.00 0.00 C ATOM 665 O ARG A 39 0.102 10.678 -0.048 1.00 0.00 O ATOM 666 CB ARG A 39 -3.069 11.088 0.857 1.00 0.00 C ATOM 667 CG ARG A 39 -4.444 10.524 1.253 1.00 0.00 C ATOM 668 CD ARG A 39 -5.202 11.489 2.176 1.00 0.00 C ATOM 669 NE ARG A 39 -6.543 10.975 2.517 1.00 0.00 N ATOM 670 CZ ARG A 39 -6.829 9.987 3.361 1.00 0.00 C ATOM 671 NH1 ARG A 39 -5.922 9.352 4.067 1.00 0.00 N ATOM 672 NH2 ARG A 39 -8.064 9.578 3.523 1.00 0.00 N ATOM 0 H ARG A 39 -1.049 9.177 1.439 1.00 0.00 H new ATOM 0 HA ARG A 39 -2.849 9.748 -0.824 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -2.512 11.340 1.759 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -3.208 12.014 0.299 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -5.034 10.337 0.356 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -4.315 9.565 1.755 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -4.629 11.645 3.090 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -5.297 12.460 1.689 1.00 0.00 H new ATOM 0 HE ARG A 39 -7.334 11.425 2.057 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -4.939 9.609 3.984 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -6.201 8.601 4.699 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -8.820 10.018 2.999 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -8.269 8.819 4.173 1.00 0.00 H new ATOM 686 N VAL A 40 -1.197 11.563 -1.659 1.00 0.00 N ATOM 687 CA VAL A 40 -0.167 12.362 -2.354 1.00 0.00 C ATOM 688 C VAL A 40 -0.789 13.707 -2.748 1.00 0.00 C ATOM 689 O VAL A 40 -1.927 13.745 -3.220 1.00 0.00 O ATOM 690 CB VAL A 40 0.389 11.634 -3.606 1.00 0.00 C ATOM 691 CG1 VAL A 40 1.513 12.440 -4.280 1.00 0.00 C ATOM 692 CG2 VAL A 40 0.948 10.236 -3.283 1.00 0.00 C ATOM 0 H VAL A 40 -2.114 11.646 -2.098 1.00 0.00 H new ATOM 0 HA VAL A 40 0.677 12.513 -1.681 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.464 11.535 -4.277 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.877 11.898 -5.153 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.128 13.411 -4.591 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.332 12.583 -3.575 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.323 9.774 -4.196 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.761 10.327 -2.562 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.157 9.616 -2.861 1.00 0.00 H new ATOM 702 N GLU A 41 -0.060 14.804 -2.528 1.00 0.00 N ATOM 703 CA GLU A 41 -0.527 16.170 -2.797 1.00 0.00 C ATOM 704 C GLU A 41 -0.888 16.369 -4.282 1.00 0.00 C ATOM 705 O GLU A 41 -0.107 16.034 -5.176 1.00 0.00 O ATOM 706 CB GLU A 41 0.542 17.174 -2.332 1.00 0.00 C ATOM 707 CG GLU A 41 0.053 18.626 -2.402 1.00 0.00 C ATOM 708 CD GLU A 41 1.099 19.591 -1.825 1.00 0.00 C ATOM 709 OE1 GLU A 41 1.062 19.868 -0.601 1.00 0.00 O ATOM 710 OE2 GLU A 41 1.959 20.089 -2.589 1.00 0.00 O ATOM 0 H GLU A 41 0.887 14.769 -2.152 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.444 16.345 -2.234 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.834 16.941 -1.308 1.00 0.00 H new ATOM 0 HB3 GLU A 41 1.433 17.064 -2.950 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.159 18.892 -3.438 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.881 18.725 -1.850 1.00 0.00 H new ATOM 717 N GLY A 42 -2.082 16.918 -4.542 1.00 0.00 N ATOM 718 CA GLY A 42 -2.613 17.163 -5.892 1.00 0.00 C ATOM 719 C GLY A 42 -3.508 16.047 -6.444 1.00 0.00 C ATOM 720 O GLY A 42 -4.017 16.187 -7.558 1.00 0.00 O ATOM 0 H GLY A 42 -2.721 17.211 -3.803 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -3.182 18.093 -5.880 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.776 17.310 -6.575 1.00 0.00 H new ATOM 724 N PHE A 43 -3.737 14.971 -5.679 1.00 0.00 N ATOM 725 CA PHE A 43 -4.604 13.842 -6.042 1.00 0.00 C ATOM 726 C PHE A 43 -5.737 13.672 -5.019 1.00 0.00 C ATOM 727 O PHE A 43 -5.511 13.727 -3.808 1.00 0.00 O ATOM 728 CB PHE A 43 -3.759 12.564 -6.152 1.00 0.00 C ATOM 729 CG PHE A 43 -2.674 12.631 -7.212 1.00 0.00 C ATOM 730 CD1 PHE A 43 -2.957 12.282 -8.546 1.00 0.00 C ATOM 731 CD2 PHE A 43 -1.385 13.083 -6.873 1.00 0.00 C ATOM 732 CE1 PHE A 43 -1.960 12.383 -9.533 1.00 0.00 C ATOM 733 CE2 PHE A 43 -0.391 13.192 -7.859 1.00 0.00 C ATOM 734 CZ PHE A 43 -0.678 12.843 -9.190 1.00 0.00 C ATOM 0 H PHE A 43 -3.309 14.859 -4.760 1.00 0.00 H new ATOM 0 HA PHE A 43 -5.066 14.042 -7.009 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -3.297 12.362 -5.186 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -4.417 11.723 -6.373 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -3.944 11.935 -8.813 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -1.159 13.347 -5.850 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -2.180 12.107 -10.554 1.00 0.00 H new ATOM 0 HE2 PHE A 43 0.595 13.544 -7.594 1.00 0.00 H new ATOM 0 HZ PHE A 43 0.086 12.928 -9.948 1.00 0.00 H new ATOM 744 N ASN A 44 -6.964 13.459 -5.509 1.00 0.00 N ATOM 745 CA ASN A 44 -8.173 13.350 -4.675 1.00 0.00 C ATOM 746 C ASN A 44 -8.405 11.945 -4.072 1.00 0.00 C ATOM 747 O ASN A 44 -9.243 11.782 -3.182 1.00 0.00 O ATOM 748 CB ASN A 44 -9.390 13.836 -5.484 1.00 0.00 C ATOM 749 CG ASN A 44 -9.711 12.954 -6.689 1.00 0.00 C ATOM 750 OD1 ASN A 44 -10.163 11.822 -6.559 1.00 0.00 O ATOM 751 ND2 ASN A 44 -9.486 13.440 -7.897 1.00 0.00 N ATOM 0 H ASN A 44 -7.150 13.356 -6.507 1.00 0.00 H new ATOM 0 HA ASN A 44 -8.025 13.992 -3.807 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -10.260 13.874 -4.829 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -9.205 14.854 -5.827 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -9.688 12.873 -8.721 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -9.110 14.382 -8.006 1.00 0.00 H new ATOM 758 N TYR A 45 -7.664 10.931 -4.534 1.00 0.00 N ATOM 759 CA TYR A 45 -7.761 9.543 -4.067 1.00 0.00 C ATOM 760 C TYR A 45 -6.953 9.282 -2.781 1.00 0.00 C ATOM 761 O TYR A 45 -6.008 10.007 -2.460 1.00 0.00 O ATOM 762 CB TYR A 45 -7.313 8.615 -5.207 1.00 0.00 C ATOM 763 CG TYR A 45 -7.609 7.144 -4.980 1.00 0.00 C ATOM 764 CD1 TYR A 45 -8.931 6.675 -5.107 1.00 0.00 C ATOM 765 CD2 TYR A 45 -6.581 6.247 -4.623 1.00 0.00 C ATOM 766 CE1 TYR A 45 -9.232 5.323 -4.861 1.00 0.00 C ATOM 767 CE2 TYR A 45 -6.877 4.893 -4.369 1.00 0.00 C ATOM 768 CZ TYR A 45 -8.209 4.430 -4.473 1.00 0.00 C ATOM 769 OH TYR A 45 -8.519 3.130 -4.216 1.00 0.00 O ATOM 0 H TYR A 45 -6.961 11.057 -5.263 1.00 0.00 H new ATOM 0 HA TYR A 45 -8.799 9.340 -3.802 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -7.801 8.932 -6.129 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -6.240 8.737 -5.356 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -9.718 7.357 -5.395 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -5.563 6.599 -4.544 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -10.246 4.968 -4.969 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -6.087 4.209 -4.095 1.00 0.00 H new ATOM 0 HH TYR A 45 -7.836 2.740 -3.632 1.00 0.00 H new ATOM 779 N ALA A 46 -7.304 8.210 -2.066 1.00 0.00 N ATOM 780 CA ALA A 46 -6.540 7.667 -0.945 1.00 0.00 C ATOM 781 C ALA A 46 -6.453 6.138 -1.076 1.00 0.00 C ATOM 782 O ALA A 46 -7.478 5.452 -1.087 1.00 0.00 O ATOM 783 CB ALA A 46 -7.207 8.105 0.365 1.00 0.00 C ATOM 0 H ALA A 46 -8.155 7.681 -2.259 1.00 0.00 H new ATOM 0 HA ALA A 46 -5.519 8.049 -0.947 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.646 7.706 1.210 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.221 9.194 0.420 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.229 7.727 0.397 1.00 0.00 H new ATOM 789 N GLY A 47 -5.229 5.610 -1.186 1.00 0.00 N ATOM 790 CA GLY A 47 -4.963 4.173 -1.293 1.00 0.00 C ATOM 791 C GLY A 47 -5.059 3.513 0.073 1.00 0.00 C ATOM 792 O GLY A 47 -4.596 4.091 1.057 1.00 0.00 O ATOM 0 H GLY A 47 -4.383 6.179 -1.203 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -5.678 3.714 -1.977 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -3.970 4.011 -1.713 1.00 0.00 H new ATOM 796 N MET A 48 -5.656 2.320 0.138 1.00 0.00 N ATOM 797 CA MET A 48 -6.008 1.644 1.398 1.00 0.00 C ATOM 798 C MET A 48 -5.509 0.195 1.448 1.00 0.00 C ATOM 799 O MET A 48 -5.567 -0.529 0.452 1.00 0.00 O ATOM 800 CB MET A 48 -7.530 1.681 1.611 1.00 0.00 C ATOM 801 CG MET A 48 -8.081 3.111 1.683 1.00 0.00 C ATOM 802 SD MET A 48 -9.832 3.246 2.134 1.00 0.00 S ATOM 803 CE MET A 48 -9.756 2.792 3.887 1.00 0.00 C ATOM 0 H MET A 48 -5.914 1.786 -0.692 1.00 0.00 H new ATOM 0 HA MET A 48 -5.509 2.186 2.201 1.00 0.00 H new ATOM 0 HB2 MET A 48 -8.020 1.147 0.797 1.00 0.00 H new ATOM 0 HB3 MET A 48 -7.777 1.154 2.532 1.00 0.00 H new ATOM 0 HG2 MET A 48 -7.492 3.673 2.407 1.00 0.00 H new ATOM 0 HG3 MET A 48 -7.935 3.588 0.714 1.00 0.00 H new ATOM 0 HE1 MET A 48 -10.718 2.996 4.358 1.00 0.00 H new ATOM 0 HE2 MET A 48 -9.525 1.731 3.978 1.00 0.00 H new ATOM 0 HE3 MET A 48 -8.980 3.376 4.381 1.00 0.00 H new ATOM 813 N GLY A 49 -5.024 -0.224 2.622 1.00 0.00 N ATOM 814 CA GLY A 49 -4.515 -1.573 2.892 1.00 0.00 C ATOM 815 C GLY A 49 -4.742 -2.038 4.328 1.00 0.00 C ATOM 816 O GLY A 49 -5.044 -1.233 5.207 1.00 0.00 O ATOM 0 H GLY A 49 -4.973 0.387 3.437 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -4.995 -2.276 2.212 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -3.447 -1.599 2.675 1.00 0.00 H new ATOM 820 N ASN A 50 -4.575 -3.338 4.572 1.00 0.00 N ATOM 821 CA ASN A 50 -4.643 -3.952 5.904 1.00 0.00 C ATOM 822 C ASN A 50 -3.918 -5.312 5.967 1.00 0.00 C ATOM 823 O ASN A 50 -3.795 -5.999 4.954 1.00 0.00 O ATOM 824 CB ASN A 50 -6.105 -4.060 6.382 1.00 0.00 C ATOM 825 CG ASN A 50 -6.932 -5.058 5.576 1.00 0.00 C ATOM 826 OD1 ASN A 50 -6.940 -6.251 5.852 1.00 0.00 O ATOM 827 ND2 ASN A 50 -7.659 -4.603 4.570 1.00 0.00 N ATOM 0 H ASN A 50 -4.384 -4.013 3.832 1.00 0.00 H new ATOM 0 HA ASN A 50 -4.110 -3.294 6.590 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -6.116 -4.354 7.432 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -6.573 -3.078 6.321 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -8.229 -5.246 4.021 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -7.650 -3.609 4.343 1.00 0.00 H new ATOM 834 N SER A 51 -3.445 -5.700 7.155 1.00 0.00 N ATOM 835 CA SER A 51 -2.750 -6.972 7.427 1.00 0.00 C ATOM 836 C SER A 51 -2.571 -7.208 8.945 1.00 0.00 C ATOM 837 O SER A 51 -3.125 -6.470 9.765 1.00 0.00 O ATOM 838 CB SER A 51 -1.394 -7.011 6.691 1.00 0.00 C ATOM 839 OG SER A 51 -0.905 -8.345 6.645 1.00 0.00 O ATOM 0 H SER A 51 -3.537 -5.119 7.988 1.00 0.00 H new ATOM 0 HA SER A 51 -3.370 -7.784 7.047 1.00 0.00 H new ATOM 0 HB2 SER A 51 -1.508 -6.622 5.679 1.00 0.00 H new ATOM 0 HB3 SER A 51 -0.676 -6.369 7.200 1.00 0.00 H new ATOM 0 HG SER A 51 -0.133 -8.390 6.043 1.00 0.00 H new ATOM 845 N THR A 52 -1.781 -8.215 9.339 1.00 0.00 N ATOM 846 CA THR A 52 -1.400 -8.517 10.734 1.00 0.00 C ATOM 847 C THR A 52 -0.383 -7.536 11.317 1.00 0.00 C ATOM 848 O THR A 52 -0.151 -7.543 12.524 1.00 0.00 O ATOM 849 CB THR A 52 -0.831 -9.938 10.834 1.00 0.00 C ATOM 850 OG1 THR A 52 0.267 -10.055 9.949 1.00 0.00 O ATOM 851 CG2 THR A 52 -1.878 -10.996 10.478 1.00 0.00 C ATOM 0 H THR A 52 -1.371 -8.870 8.673 1.00 0.00 H new ATOM 0 HA THR A 52 -2.315 -8.423 11.319 1.00 0.00 H new ATOM 0 HB THR A 52 -0.519 -10.108 11.865 1.00 0.00 H new ATOM 0 HG1 THR A 52 0.639 -10.960 10.007 1.00 0.00 H new ATOM 0 HG21 THR A 52 -1.435 -11.989 10.561 1.00 0.00 H new ATOM 0 HG22 THR A 52 -2.723 -10.917 11.163 1.00 0.00 H new ATOM 0 HG23 THR A 52 -2.223 -10.837 9.456 1.00 0.00 H new ATOM 859 N ASN A 53 0.227 -6.696 10.477 1.00 0.00 N ATOM 860 CA ASN A 53 1.359 -5.835 10.817 1.00 0.00 C ATOM 861 C ASN A 53 1.387 -4.543 9.980 1.00 0.00 C ATOM 862 O ASN A 53 0.838 -4.475 8.876 1.00 0.00 O ATOM 863 CB ASN A 53 2.661 -6.641 10.678 1.00 0.00 C ATOM 864 CG ASN A 53 2.976 -6.975 9.224 1.00 0.00 C ATOM 865 OD1 ASN A 53 3.598 -6.187 8.522 1.00 0.00 O ATOM 866 ND2 ASN A 53 2.543 -8.119 8.731 1.00 0.00 N ATOM 0 H ASN A 53 -0.066 -6.594 9.505 1.00 0.00 H new ATOM 0 HA ASN A 53 1.251 -5.508 11.851 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.486 -6.072 11.106 1.00 0.00 H new ATOM 0 HB3 ASN A 53 2.579 -7.564 11.252 1.00 0.00 H new ATOM 0 HD21 ASN A 53 2.725 -8.355 7.756 1.00 0.00 H new ATOM 0 HD22 ASN A 53 2.026 -8.767 9.325 1.00 0.00 H new ATOM 873 N LYS A 54 2.058 -3.511 10.501 1.00 0.00 N ATOM 874 CA LYS A 54 2.113 -2.172 9.896 1.00 0.00 C ATOM 875 C LYS A 54 2.839 -2.122 8.540 1.00 0.00 C ATOM 876 O LYS A 54 2.492 -1.296 7.693 1.00 0.00 O ATOM 877 CB LYS A 54 2.784 -1.209 10.892 1.00 0.00 C ATOM 878 CG LYS A 54 1.961 -1.000 12.174 1.00 0.00 C ATOM 879 CD LYS A 54 2.618 0.065 13.063 1.00 0.00 C ATOM 880 CE LYS A 54 1.805 0.263 14.348 1.00 0.00 C ATOM 881 NZ LYS A 54 2.431 1.270 15.246 1.00 0.00 N ATOM 0 H LYS A 54 2.588 -3.582 11.370 1.00 0.00 H new ATOM 0 HA LYS A 54 1.086 -1.874 9.687 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.767 -1.597 11.158 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.942 -0.246 10.407 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.947 -0.693 11.917 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.881 -1.940 12.720 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.636 -0.237 13.312 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.689 1.008 12.521 1.00 0.00 H new ATOM 0 HE2 LYS A 54 0.794 0.581 14.093 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.717 -0.688 14.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.853 1.377 16.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.386 0.954 15.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.492 2.184 14.754 1.00 0.00 H new ATOM 895 N LYS A 55 3.834 -2.983 8.306 1.00 0.00 N ATOM 896 CA LYS A 55 4.616 -2.996 7.057 1.00 0.00 C ATOM 897 C LYS A 55 3.790 -3.511 5.870 1.00 0.00 C ATOM 898 O LYS A 55 3.701 -2.840 4.839 1.00 0.00 O ATOM 899 CB LYS A 55 5.892 -3.836 7.238 1.00 0.00 C ATOM 900 CG LYS A 55 6.859 -3.244 8.278 1.00 0.00 C ATOM 901 CD LYS A 55 8.206 -3.981 8.323 1.00 0.00 C ATOM 902 CE LYS A 55 8.051 -5.461 8.708 1.00 0.00 C ATOM 903 NZ LYS A 55 9.368 -6.136 8.828 1.00 0.00 N ATOM 0 H LYS A 55 4.124 -3.694 8.977 1.00 0.00 H new ATOM 0 HA LYS A 55 4.898 -1.968 6.831 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.616 -4.846 7.541 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.404 -3.919 6.280 1.00 0.00 H new ATOM 0 HG2 LYS A 55 7.032 -2.192 8.049 1.00 0.00 H new ATOM 0 HG3 LYS A 55 6.395 -3.284 9.263 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.688 -3.911 7.348 1.00 0.00 H new ATOM 0 HD3 LYS A 55 8.863 -3.489 9.040 1.00 0.00 H new ATOM 0 HE2 LYS A 55 7.515 -5.537 9.654 1.00 0.00 H new ATOM 0 HE3 LYS A 55 7.447 -5.971 7.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 9.228 -7.166 8.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 9.956 -5.899 8.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 9.844 -5.816 9.696 1.00 0.00 H new ATOM 917 N ASP A 56 3.119 -4.651 6.038 1.00 0.00 N ATOM 918 CA ASP A 56 2.236 -5.219 5.014 1.00 0.00 C ATOM 919 C ASP A 56 0.976 -4.369 4.794 1.00 0.00 C ATOM 920 O ASP A 56 0.476 -4.289 3.674 1.00 0.00 O ATOM 921 CB ASP A 56 1.853 -6.659 5.376 1.00 0.00 C ATOM 922 CG ASP A 56 2.968 -7.680 5.088 1.00 0.00 C ATOM 923 OD1 ASP A 56 3.506 -7.694 3.956 1.00 0.00 O ATOM 924 OD2 ASP A 56 3.268 -8.500 5.987 1.00 0.00 O ATOM 0 H ASP A 56 3.172 -5.209 6.890 1.00 0.00 H new ATOM 0 HA ASP A 56 2.791 -5.221 4.076 1.00 0.00 H new ATOM 0 HB2 ASP A 56 1.595 -6.703 6.434 1.00 0.00 H new ATOM 0 HB3 ASP A 56 0.960 -6.941 4.818 1.00 0.00 H new ATOM 929 N ALA A 57 0.480 -3.678 5.824 1.00 0.00 N ATOM 930 CA ALA A 57 -0.639 -2.751 5.654 1.00 0.00 C ATOM 931 C ALA A 57 -0.242 -1.532 4.793 1.00 0.00 C ATOM 932 O ALA A 57 -0.996 -1.147 3.897 1.00 0.00 O ATOM 933 CB ALA A 57 -1.168 -2.366 7.041 1.00 0.00 C ATOM 0 H ALA A 57 0.834 -3.743 6.778 1.00 0.00 H new ATOM 0 HA ALA A 57 -1.445 -3.235 5.103 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.004 -1.674 6.933 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.504 -3.262 7.564 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.373 -1.888 7.614 1.00 0.00 H new ATOM 939 N GLN A 58 0.957 -0.975 5.005 1.00 0.00 N ATOM 940 CA GLN A 58 1.507 0.116 4.189 1.00 0.00 C ATOM 941 C GLN A 58 1.788 -0.309 2.745 1.00 0.00 C ATOM 942 O GLN A 58 1.507 0.463 1.832 1.00 0.00 O ATOM 943 CB GLN A 58 2.808 0.648 4.808 1.00 0.00 C ATOM 944 CG GLN A 58 2.576 1.579 6.004 1.00 0.00 C ATOM 945 CD GLN A 58 3.888 1.879 6.725 1.00 0.00 C ATOM 946 OE1 GLN A 58 4.620 2.805 6.400 1.00 0.00 O ATOM 947 NE2 GLN A 58 4.255 1.079 7.703 1.00 0.00 N ATOM 0 H GLN A 58 1.580 -1.272 5.756 1.00 0.00 H new ATOM 0 HA GLN A 58 0.747 0.897 4.171 1.00 0.00 H new ATOM 0 HB2 GLN A 58 3.421 -0.195 5.127 1.00 0.00 H new ATOM 0 HB3 GLN A 58 3.373 1.183 4.045 1.00 0.00 H new ATOM 0 HG2 GLN A 58 2.123 2.510 5.663 1.00 0.00 H new ATOM 0 HG3 GLN A 58 1.873 1.118 6.698 1.00 0.00 H new ATOM 0 HE21 GLN A 58 3.653 0.305 7.982 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.142 1.233 8.183 1.00 0.00 H new ATOM 956 N SER A 59 2.310 -1.515 2.499 1.00 0.00 N ATOM 957 CA SER A 59 2.561 -1.974 1.125 1.00 0.00 C ATOM 958 C SER A 59 1.260 -2.249 0.353 1.00 0.00 C ATOM 959 O SER A 59 1.190 -1.967 -0.844 1.00 0.00 O ATOM 960 CB SER A 59 3.501 -3.188 1.109 1.00 0.00 C ATOM 961 OG SER A 59 2.929 -4.319 1.740 1.00 0.00 O ATOM 0 H SER A 59 2.565 -2.186 3.223 1.00 0.00 H new ATOM 0 HA SER A 59 3.062 -1.160 0.602 1.00 0.00 H new ATOM 0 HB2 SER A 59 3.751 -3.438 0.078 1.00 0.00 H new ATOM 0 HB3 SER A 59 4.434 -2.929 1.609 1.00 0.00 H new ATOM 0 HG SER A 59 2.173 -4.036 2.295 1.00 0.00 H new ATOM 967 N ASN A 60 0.188 -2.684 1.027 1.00 0.00 N ATOM 968 CA ASN A 60 -1.143 -2.781 0.418 1.00 0.00 C ATOM 969 C ASN A 60 -1.740 -1.390 0.122 1.00 0.00 C ATOM 970 O ASN A 60 -2.293 -1.183 -0.960 1.00 0.00 O ATOM 971 CB ASN A 60 -2.081 -3.612 1.307 1.00 0.00 C ATOM 972 CG ASN A 60 -1.915 -5.113 1.092 1.00 0.00 C ATOM 973 OD1 ASN A 60 -2.488 -5.693 0.178 1.00 0.00 O ATOM 974 ND2 ASN A 60 -1.155 -5.785 1.933 1.00 0.00 N ATOM 0 H ASN A 60 0.219 -2.977 2.004 1.00 0.00 H new ATOM 0 HA ASN A 60 -1.035 -3.291 -0.539 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.888 -3.375 2.353 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.114 -3.331 1.101 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.042 -6.793 1.824 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -0.680 -5.297 2.693 1.00 0.00 H new ATOM 981 N ALA A 61 -1.582 -0.418 1.032 1.00 0.00 N ATOM 982 CA ALA A 61 -2.023 0.964 0.814 1.00 0.00 C ATOM 983 C ALA A 61 -1.283 1.618 -0.364 1.00 0.00 C ATOM 984 O ALA A 61 -1.917 2.203 -1.243 1.00 0.00 O ATOM 985 CB ALA A 61 -1.843 1.753 2.118 1.00 0.00 C ATOM 0 H ALA A 61 -1.144 -0.570 1.941 1.00 0.00 H new ATOM 0 HA ALA A 61 -3.078 0.967 0.542 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -2.168 2.783 1.968 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.441 1.295 2.906 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -0.792 1.743 2.408 1.00 0.00 H new ATOM 991 N ALA A 62 0.042 1.447 -0.426 1.00 0.00 N ATOM 992 CA ALA A 62 0.877 1.896 -1.536 1.00 0.00 C ATOM 993 C ALA A 62 0.465 1.240 -2.859 1.00 0.00 C ATOM 994 O ALA A 62 0.231 1.949 -3.840 1.00 0.00 O ATOM 995 CB ALA A 62 2.340 1.605 -1.188 1.00 0.00 C ATOM 0 H ALA A 62 0.571 0.982 0.312 1.00 0.00 H new ATOM 0 HA ALA A 62 0.744 2.968 -1.680 1.00 0.00 H new ATOM 0 HB1 ALA A 62 2.981 1.934 -2.006 1.00 0.00 H new ATOM 0 HB2 ALA A 62 2.611 2.140 -0.278 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.471 0.534 -1.032 1.00 0.00 H new ATOM 1001 N ARG A 63 0.300 -0.091 -2.880 1.00 0.00 N ATOM 1002 CA ARG A 63 -0.152 -0.822 -4.066 1.00 0.00 C ATOM 1003 C ARG A 63 -1.497 -0.304 -4.581 1.00 0.00 C ATOM 1004 O ARG A 63 -1.643 -0.145 -5.788 1.00 0.00 O ATOM 1005 CB ARG A 63 -0.212 -2.336 -3.783 1.00 0.00 C ATOM 1006 CG ARG A 63 -0.636 -3.182 -4.998 1.00 0.00 C ATOM 1007 CD ARG A 63 0.287 -3.054 -6.223 1.00 0.00 C ATOM 1008 NE ARG A 63 -0.379 -3.519 -7.450 1.00 0.00 N ATOM 1009 CZ ARG A 63 -0.514 -4.763 -7.888 1.00 0.00 C ATOM 1010 NH1 ARG A 63 -0.018 -5.798 -7.242 1.00 0.00 N ATOM 1011 NH2 ARG A 63 -1.177 -4.974 -9.002 1.00 0.00 N ATOM 0 H ARG A 63 0.477 -0.689 -2.073 1.00 0.00 H new ATOM 0 HA ARG A 63 0.580 -0.648 -4.855 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.768 -2.671 -3.444 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.911 -2.515 -2.966 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -0.677 -4.229 -4.698 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -1.646 -2.894 -5.289 1.00 0.00 H new ATOM 0 HD2 ARG A 63 0.591 -2.014 -6.344 1.00 0.00 H new ATOM 0 HD3 ARG A 63 1.195 -3.634 -6.058 1.00 0.00 H new ATOM 0 HE ARG A 63 -0.788 -2.793 -8.038 1.00 0.00 H new ATOM 0 HH11 ARG A 63 0.492 -5.658 -6.370 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -0.144 -6.739 -7.614 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -1.577 -4.188 -9.514 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -1.292 -5.924 -9.355 1.00 0.00 H new ATOM 1025 N ASP A 64 -2.450 0.021 -3.709 1.00 0.00 N ATOM 1026 CA ASP A 64 -3.755 0.550 -4.122 1.00 0.00 C ATOM 1027 C ASP A 64 -3.685 1.997 -4.649 1.00 0.00 C ATOM 1028 O ASP A 64 -4.432 2.348 -5.564 1.00 0.00 O ATOM 1029 CB ASP A 64 -4.750 0.404 -2.966 1.00 0.00 C ATOM 1030 CG ASP A 64 -6.171 0.830 -3.363 1.00 0.00 C ATOM 1031 OD1 ASP A 64 -6.669 0.398 -4.432 1.00 0.00 O ATOM 1032 OD2 ASP A 64 -6.780 1.602 -2.590 1.00 0.00 O ATOM 0 H ASP A 64 -2.343 -0.073 -2.699 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.104 -0.040 -4.970 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -4.764 -0.633 -2.631 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -4.415 1.007 -2.122 1.00 0.00 H new ATOM 1037 N PHE A 65 -2.747 2.822 -4.157 1.00 0.00 N ATOM 1038 CA PHE A 65 -2.500 4.150 -4.729 1.00 0.00 C ATOM 1039 C PHE A 65 -1.728 4.071 -6.057 1.00 0.00 C ATOM 1040 O PHE A 65 -2.064 4.781 -7.001 1.00 0.00 O ATOM 1041 CB PHE A 65 -1.793 5.057 -3.716 1.00 0.00 C ATOM 1042 CG PHE A 65 -1.869 6.525 -4.093 1.00 0.00 C ATOM 1043 CD1 PHE A 65 -0.934 7.082 -4.987 1.00 0.00 C ATOM 1044 CD2 PHE A 65 -2.916 7.328 -3.599 1.00 0.00 C ATOM 1045 CE1 PHE A 65 -1.054 8.424 -5.390 1.00 0.00 C ATOM 1046 CE2 PHE A 65 -3.037 8.669 -4.005 1.00 0.00 C ATOM 1047 CZ PHE A 65 -2.109 9.215 -4.906 1.00 0.00 C ATOM 0 H PHE A 65 -2.148 2.590 -3.364 1.00 0.00 H new ATOM 0 HA PHE A 65 -3.469 4.595 -4.958 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -2.241 4.915 -2.732 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -0.747 4.760 -3.636 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -0.123 6.477 -5.364 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -3.630 6.911 -2.904 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.333 8.848 -6.073 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -3.843 9.278 -3.624 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.206 10.242 -5.227 1.00 0.00 H new ATOM 1057 N VAL A 66 -0.749 3.171 -6.175 1.00 0.00 N ATOM 1058 CA VAL A 66 -0.059 2.890 -7.451 1.00 0.00 C ATOM 1059 C VAL A 66 -1.051 2.355 -8.488 1.00 0.00 C ATOM 1060 O VAL A 66 -1.058 2.810 -9.629 1.00 0.00 O ATOM 1061 CB VAL A 66 1.117 1.906 -7.263 1.00 0.00 C ATOM 1062 CG1 VAL A 66 1.724 1.454 -8.600 1.00 0.00 C ATOM 1063 CG2 VAL A 66 2.221 2.570 -6.433 1.00 0.00 C ATOM 0 H VAL A 66 -0.407 2.613 -5.393 1.00 0.00 H new ATOM 0 HA VAL A 66 0.358 3.829 -7.815 1.00 0.00 H new ATOM 0 HB VAL A 66 0.717 1.029 -6.754 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.546 0.764 -8.411 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.960 0.954 -9.196 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.097 2.323 -9.143 1.00 0.00 H new ATOM 0 HG21 VAL A 66 3.048 1.872 -6.303 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.577 3.462 -6.948 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.825 2.848 -5.457 1.00 0.00 H new ATOM 1073 N ASN A 67 -1.949 1.458 -8.074 1.00 0.00 N ATOM 1074 CA ASN A 67 -3.065 0.999 -8.904 1.00 0.00 C ATOM 1075 C ASN A 67 -3.938 2.182 -9.350 1.00 0.00 C ATOM 1076 O ASN A 67 -4.136 2.342 -10.548 1.00 0.00 O ATOM 1077 CB ASN A 67 -3.900 -0.078 -8.192 1.00 0.00 C ATOM 1078 CG ASN A 67 -3.217 -1.441 -8.076 1.00 0.00 C ATOM 1079 OD1 ASN A 67 -2.250 -1.761 -8.757 1.00 0.00 O ATOM 1080 ND2 ASN A 67 -3.731 -2.306 -7.218 1.00 0.00 N ATOM 0 H ASN A 67 -1.922 1.028 -7.150 1.00 0.00 H new ATOM 0 HA ASN A 67 -2.643 0.537 -9.797 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -4.147 0.276 -7.191 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -4.841 -0.202 -8.728 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -3.322 -3.236 -7.125 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -4.536 -2.043 -6.649 1.00 0.00 H new ATOM 1087 N TYR A 68 -4.351 3.095 -8.462 1.00 0.00 N ATOM 1088 CA TYR A 68 -5.026 4.347 -8.853 1.00 0.00 C ATOM 1089 C TYR A 68 -4.245 5.161 -9.903 1.00 0.00 C ATOM 1090 O TYR A 68 -4.827 5.581 -10.903 1.00 0.00 O ATOM 1091 CB TYR A 68 -5.346 5.180 -7.603 1.00 0.00 C ATOM 1092 CG TYR A 68 -5.589 6.655 -7.868 1.00 0.00 C ATOM 1093 CD1 TYR A 68 -6.795 7.083 -8.456 1.00 0.00 C ATOM 1094 CD2 TYR A 68 -4.590 7.596 -7.547 1.00 0.00 C ATOM 1095 CE1 TYR A 68 -7.017 8.453 -8.697 1.00 0.00 C ATOM 1096 CE2 TYR A 68 -4.805 8.965 -7.786 1.00 0.00 C ATOM 1097 CZ TYR A 68 -6.029 9.402 -8.344 1.00 0.00 C ATOM 1098 OH TYR A 68 -6.264 10.733 -8.513 1.00 0.00 O ATOM 0 H TYR A 68 -4.229 2.991 -7.455 1.00 0.00 H new ATOM 0 HA TYR A 68 -5.960 4.073 -9.344 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -6.229 4.761 -7.120 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -4.521 5.083 -6.897 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -7.551 6.359 -8.723 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -3.657 7.265 -7.116 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -7.941 8.779 -9.151 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -4.035 9.683 -7.543 1.00 0.00 H new ATOM 0 HH TYR A 68 -6.204 11.188 -7.647 1.00 0.00 H new ATOM 1108 N LEU A 69 -2.921 5.289 -9.768 1.00 0.00 N ATOM 1109 CA LEU A 69 -2.075 5.952 -10.770 1.00 0.00 C ATOM 1110 C LEU A 69 -2.017 5.205 -12.119 1.00 0.00 C ATOM 1111 O LEU A 69 -1.749 5.840 -13.136 1.00 0.00 O ATOM 1112 CB LEU A 69 -0.671 6.199 -10.198 1.00 0.00 C ATOM 1113 CG LEU A 69 -0.589 7.140 -8.977 1.00 0.00 C ATOM 1114 CD1 LEU A 69 0.828 7.057 -8.393 1.00 0.00 C ATOM 1115 CD2 LEU A 69 -0.935 8.590 -9.344 1.00 0.00 C ATOM 0 H LEU A 69 -2.404 4.937 -8.962 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.541 6.912 -10.993 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.241 5.237 -9.919 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.046 6.610 -10.990 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.323 6.820 -8.237 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.904 7.716 -7.528 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.036 6.032 -8.087 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.551 7.364 -9.148 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.865 9.217 -8.455 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.236 8.951 -10.099 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.950 8.633 -9.739 1.00 0.00 H new ATOM 1127 N VAL A 70 -2.322 3.906 -12.166 1.00 0.00 N ATOM 1128 CA VAL A 70 -2.532 3.135 -13.415 1.00 0.00 C ATOM 1129 C VAL A 70 -3.957 3.349 -13.959 1.00 0.00 C ATOM 1130 O VAL A 70 -4.125 3.517 -15.165 1.00 0.00 O ATOM 1131 CB VAL A 70 -2.242 1.624 -13.225 1.00 0.00 C ATOM 1132 CG1 VAL A 70 -2.520 0.790 -14.485 1.00 0.00 C ATOM 1133 CG2 VAL A 70 -0.782 1.383 -12.813 1.00 0.00 C ATOM 0 H VAL A 70 -2.434 3.340 -11.325 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.818 3.513 -14.147 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.923 1.303 -12.437 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.297 -0.258 -14.284 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.569 0.891 -14.764 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.892 1.145 -15.302 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.611 0.314 -12.688 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.117 1.769 -13.586 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.580 1.895 -11.872 1.00 0.00 H new ATOM 1143 N ARG A 71 -4.969 3.433 -13.079 1.00 0.00 N ATOM 1144 CA ARG A 71 -6.365 3.761 -13.442 1.00 0.00 C ATOM 1145 C ARG A 71 -6.479 5.137 -14.129 1.00 0.00 C ATOM 1146 O ARG A 71 -7.334 5.313 -14.998 1.00 0.00 O ATOM 1147 CB ARG A 71 -7.308 3.723 -12.216 1.00 0.00 C ATOM 1148 CG ARG A 71 -7.408 2.361 -11.500 1.00 0.00 C ATOM 1149 CD ARG A 71 -8.196 2.458 -10.179 1.00 0.00 C ATOM 1150 NE ARG A 71 -7.835 1.366 -9.248 1.00 0.00 N ATOM 1151 CZ ARG A 71 -7.715 1.441 -7.922 1.00 0.00 C ATOM 1152 NH1 ARG A 71 -7.986 2.537 -7.248 1.00 0.00 N ATOM 1153 NH2 ARG A 71 -7.318 0.394 -7.232 1.00 0.00 N ATOM 0 H ARG A 71 -4.842 3.273 -12.080 1.00 0.00 H new ATOM 0 HA ARG A 71 -6.675 2.991 -14.148 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.971 4.469 -11.496 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -8.306 4.019 -12.538 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -7.892 1.640 -12.159 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -6.406 1.984 -11.297 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -7.998 3.420 -9.706 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -9.265 2.420 -10.389 1.00 0.00 H new ATOM 0 HE ARG A 71 -7.658 0.453 -9.668 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -8.302 3.373 -7.740 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -7.881 2.551 -6.234 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -7.100 -0.480 -7.711 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -7.228 0.456 -6.218 1.00 0.00 H new ATOM 1167 N ILE A 72 -5.600 6.093 -13.791 1.00 0.00 N ATOM 1168 CA ILE A 72 -5.522 7.437 -14.417 1.00 0.00 C ATOM 1169 C ILE A 72 -4.310 7.635 -15.353 1.00 0.00 C ATOM 1170 O ILE A 72 -4.088 8.742 -15.839 1.00 0.00 O ATOM 1171 CB ILE A 72 -5.646 8.566 -13.360 1.00 0.00 C ATOM 1172 CG1 ILE A 72 -4.407 8.689 -12.444 1.00 0.00 C ATOM 1173 CG2 ILE A 72 -6.937 8.386 -12.537 1.00 0.00 C ATOM 1174 CD1 ILE A 72 -4.353 10.007 -11.667 1.00 0.00 C ATOM 0 H ILE A 72 -4.904 5.957 -13.058 1.00 0.00 H new ATOM 0 HA ILE A 72 -6.388 7.502 -15.076 1.00 0.00 H new ATOM 0 HB ILE A 72 -5.700 9.507 -13.908 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -4.403 7.859 -11.737 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -3.506 8.596 -13.050 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -7.012 9.184 -11.799 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.800 8.424 -13.201 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -6.913 7.422 -12.028 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.458 10.026 -11.045 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -4.326 10.842 -12.368 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -5.237 10.093 -11.035 1.00 0.00 H new ATOM 1186 N ASN A 73 -3.521 6.584 -15.608 1.00 0.00 N ATOM 1187 CA ASN A 73 -2.398 6.540 -16.568 1.00 0.00 C ATOM 1188 C ASN A 73 -1.178 7.426 -16.194 1.00 0.00 C ATOM 1189 O ASN A 73 -0.312 7.685 -17.031 1.00 0.00 O ATOM 1190 CB ASN A 73 -2.898 6.794 -18.004 1.00 0.00 C ATOM 1191 CG ASN A 73 -4.021 5.842 -18.410 1.00 0.00 C ATOM 1192 OD1 ASN A 73 -3.818 4.644 -18.566 1.00 0.00 O ATOM 1193 ND2 ASN A 73 -5.230 6.343 -18.597 1.00 0.00 N ATOM 0 H ASN A 73 -3.651 5.693 -15.129 1.00 0.00 H new ATOM 0 HA ASN A 73 -2.002 5.526 -16.513 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -3.251 7.822 -18.086 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -2.066 6.686 -18.699 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -5.998 5.731 -18.872 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -5.394 7.341 -18.466 1.00 0.00 H new ATOM 1200 N GLU A 74 -1.077 7.860 -14.932 1.00 0.00 N ATOM 1201 CA GLU A 74 0.080 8.572 -14.359 1.00 0.00 C ATOM 1202 C GLU A 74 1.248 7.632 -13.977 1.00 0.00 C ATOM 1203 O GLU A 74 2.370 8.091 -13.753 1.00 0.00 O ATOM 1204 CB GLU A 74 -0.385 9.399 -13.148 1.00 0.00 C ATOM 1205 CG GLU A 74 -1.101 10.703 -13.536 1.00 0.00 C ATOM 1206 CD GLU A 74 -0.120 11.852 -13.831 1.00 0.00 C ATOM 1207 OE1 GLU A 74 0.862 11.666 -14.585 1.00 0.00 O ATOM 1208 OE2 GLU A 74 -0.294 12.960 -13.276 1.00 0.00 O ATOM 0 H GLU A 74 -1.825 7.721 -14.253 1.00 0.00 H new ATOM 0 HA GLU A 74 0.477 9.232 -15.130 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.056 8.792 -12.540 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.479 9.638 -12.528 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -1.721 10.525 -14.415 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.770 11.000 -12.728 1.00 0.00 H new ATOM 1215 N VAL A 75 1.003 6.317 -13.950 1.00 0.00 N ATOM 1216 CA VAL A 75 2.004 5.240 -13.848 1.00 0.00 C ATOM 1217 C VAL A 75 1.670 4.192 -14.913 1.00 0.00 C ATOM 1218 O VAL A 75 0.510 3.808 -15.054 1.00 0.00 O ATOM 1219 CB VAL A 75 1.999 4.577 -12.445 1.00 0.00 C ATOM 1220 CG1 VAL A 75 2.932 3.357 -12.373 1.00 0.00 C ATOM 1221 CG2 VAL A 75 2.494 5.518 -11.342 1.00 0.00 C ATOM 0 H VAL A 75 0.052 5.952 -14.001 1.00 0.00 H new ATOM 0 HA VAL A 75 2.998 5.660 -14.002 1.00 0.00 H new ATOM 0 HB VAL A 75 0.956 4.300 -12.292 1.00 0.00 H new ATOM 0 HG11 VAL A 75 2.894 2.928 -11.372 1.00 0.00 H new ATOM 0 HG12 VAL A 75 2.612 2.611 -13.100 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.953 3.666 -12.596 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.468 5.000 -10.383 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.516 5.828 -11.560 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.850 6.396 -11.297 1.00 0.00 H new ATOM 1231 N LYS A 76 2.674 3.713 -15.655 1.00 0.00 N ATOM 1232 CA LYS A 76 2.515 2.543 -16.529 1.00 0.00 C ATOM 1233 C LYS A 76 2.591 1.252 -15.703 1.00 0.00 C ATOM 1234 O LYS A 76 3.541 1.051 -14.946 1.00 0.00 O ATOM 1235 CB LYS A 76 3.602 2.504 -17.613 1.00 0.00 C ATOM 1236 CG LYS A 76 3.463 3.606 -18.679 1.00 0.00 C ATOM 1237 CD LYS A 76 4.488 3.440 -19.816 1.00 0.00 C ATOM 1238 CE LYS A 76 4.274 2.119 -20.576 1.00 0.00 C ATOM 1239 NZ LYS A 76 5.304 1.872 -21.614 1.00 0.00 N ATOM 0 H LYS A 76 3.610 4.119 -15.668 1.00 0.00 H new ATOM 0 HA LYS A 76 1.540 2.622 -17.010 1.00 0.00 H new ATOM 0 HB2 LYS A 76 4.579 2.594 -17.137 1.00 0.00 H new ATOM 0 HB3 LYS A 76 3.576 1.532 -18.105 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.455 3.585 -19.093 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.595 4.582 -18.211 1.00 0.00 H new ATOM 0 HD2 LYS A 76 4.404 4.278 -20.508 1.00 0.00 H new ATOM 0 HD3 LYS A 76 5.497 3.466 -19.405 1.00 0.00 H new ATOM 0 HE2 LYS A 76 4.278 1.293 -19.865 1.00 0.00 H new ATOM 0 HE3 LYS A 76 3.290 2.132 -21.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 5.405 0.848 -21.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 5.016 2.327 -22.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 6.214 2.267 -21.301 1.00 0.00 H new ATOM 1253 N SER A 77 1.652 0.330 -15.898 1.00 0.00 N ATOM 1254 CA SER A 77 1.645 -0.973 -15.214 1.00 0.00 C ATOM 1255 C SER A 77 2.953 -1.760 -15.412 1.00 0.00 C ATOM 1256 O SER A 77 3.441 -2.376 -14.463 1.00 0.00 O ATOM 1257 CB SER A 77 0.449 -1.797 -15.698 1.00 0.00 C ATOM 1258 OG SER A 77 0.432 -1.877 -17.117 1.00 0.00 O ATOM 0 H SER A 77 0.868 0.460 -16.537 1.00 0.00 H new ATOM 0 HA SER A 77 1.559 -0.780 -14.145 1.00 0.00 H new ATOM 0 HB2 SER A 77 0.497 -2.800 -15.273 1.00 0.00 H new ATOM 0 HB3 SER A 77 -0.477 -1.345 -15.344 1.00 0.00 H new ATOM 0 HG SER A 77 -0.252 -2.519 -17.400 1.00 0.00 H new ATOM 1264 N GLU A 78 3.587 -1.643 -16.587 1.00 0.00 N ATOM 1265 CA GLU A 78 4.868 -2.282 -16.930 1.00 0.00 C ATOM 1266 C GLU A 78 6.018 -1.940 -15.958 1.00 0.00 C ATOM 1267 O GLU A 78 6.975 -2.709 -15.848 1.00 0.00 O ATOM 1268 CB GLU A 78 5.296 -1.893 -18.359 1.00 0.00 C ATOM 1269 CG GLU A 78 4.298 -2.317 -19.447 1.00 0.00 C ATOM 1270 CD GLU A 78 4.887 -2.091 -20.849 1.00 0.00 C ATOM 1271 OE1 GLU A 78 4.921 -0.927 -21.316 1.00 0.00 O ATOM 1272 OE2 GLU A 78 5.320 -3.076 -21.494 1.00 0.00 O ATOM 0 H GLU A 78 3.211 -1.082 -17.351 1.00 0.00 H new ATOM 0 HA GLU A 78 4.688 -3.354 -16.854 1.00 0.00 H new ATOM 0 HB2 GLU A 78 5.431 -0.812 -18.405 1.00 0.00 H new ATOM 0 HB3 GLU A 78 6.265 -2.345 -18.573 1.00 0.00 H new ATOM 0 HG2 GLU A 78 4.042 -3.369 -19.321 1.00 0.00 H new ATOM 0 HG3 GLU A 78 3.374 -1.749 -19.340 1.00 0.00 H new ATOM 1279 N GLU A 79 5.923 -0.821 -15.230 1.00 0.00 N ATOM 1280 CA GLU A 79 6.921 -0.384 -14.246 1.00 0.00 C ATOM 1281 C GLU A 79 6.638 -0.897 -12.822 1.00 0.00 C ATOM 1282 O GLU A 79 7.531 -0.877 -11.974 1.00 0.00 O ATOM 1283 CB GLU A 79 6.963 1.153 -14.215 1.00 0.00 C ATOM 1284 CG GLU A 79 7.405 1.808 -15.532 1.00 0.00 C ATOM 1285 CD GLU A 79 8.844 1.434 -15.923 1.00 0.00 C ATOM 1286 OE1 GLU A 79 9.796 1.875 -15.235 1.00 0.00 O ATOM 1287 OE2 GLU A 79 9.035 0.720 -16.936 1.00 0.00 O ATOM 0 H GLU A 79 5.133 -0.180 -15.310 1.00 0.00 H new ATOM 0 HA GLU A 79 7.876 -0.805 -14.560 1.00 0.00 H new ATOM 0 HB2 GLU A 79 5.972 1.525 -13.954 1.00 0.00 H new ATOM 0 HB3 GLU A 79 7.641 1.469 -13.422 1.00 0.00 H new ATOM 0 HG2 GLU A 79 6.726 1.507 -16.329 1.00 0.00 H new ATOM 0 HG3 GLU A 79 7.327 2.891 -15.439 1.00 0.00 H new ATOM 1294 N VAL A 80 5.415 -1.359 -12.541 1.00 0.00 N ATOM 1295 CA VAL A 80 4.938 -1.670 -11.181 1.00 0.00 C ATOM 1296 C VAL A 80 5.518 -3.013 -10.696 1.00 0.00 C ATOM 1297 O VAL A 80 5.358 -4.014 -11.402 1.00 0.00 O ATOM 1298 CB VAL A 80 3.391 -1.701 -11.111 1.00 0.00 C ATOM 1299 CG1 VAL A 80 2.888 -2.025 -9.694 1.00 0.00 C ATOM 1300 CG2 VAL A 80 2.793 -0.349 -11.539 1.00 0.00 C ATOM 0 H VAL A 80 4.714 -1.532 -13.261 1.00 0.00 H new ATOM 0 HA VAL A 80 5.288 -0.874 -10.523 1.00 0.00 H new ATOM 0 HB VAL A 80 3.068 -2.487 -11.794 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.798 -2.037 -9.689 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.263 -3.002 -9.389 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.246 -1.266 -8.998 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.706 -0.397 -11.481 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.157 0.436 -10.876 1.00 0.00 H new ATOM 0 HG23 VAL A 80 3.092 -0.127 -12.563 1.00 0.00 H new ATOM 1310 N PRO A 81 6.153 -3.074 -9.503 1.00 0.00 N ATOM 1311 CA PRO A 81 6.630 -4.325 -8.927 1.00 0.00 C ATOM 1312 C PRO A 81 5.440 -5.149 -8.418 1.00 0.00 C ATOM 1313 O PRO A 81 4.742 -4.758 -7.483 1.00 0.00 O ATOM 1314 CB PRO A 81 7.603 -3.922 -7.815 1.00 0.00 C ATOM 1315 CG PRO A 81 7.089 -2.558 -7.361 1.00 0.00 C ATOM 1316 CD PRO A 81 6.501 -1.954 -8.638 1.00 0.00 C ATOM 0 HA PRO A 81 7.140 -4.962 -9.650 1.00 0.00 H new ATOM 0 HB2 PRO A 81 7.599 -4.644 -6.998 1.00 0.00 H new ATOM 0 HB3 PRO A 81 8.628 -3.862 -8.182 1.00 0.00 H new ATOM 0 HG2 PRO A 81 6.336 -2.653 -6.579 1.00 0.00 H new ATOM 0 HG3 PRO A 81 7.892 -1.941 -6.958 1.00 0.00 H new ATOM 0 HD2 PRO A 81 5.622 -1.350 -8.413 1.00 0.00 H new ATOM 0 HD3 PRO A 81 7.222 -1.298 -9.125 1.00 0.00 H new ATOM 1324 N ALA A 82 5.208 -6.293 -9.067 1.00 0.00 N ATOM 1325 CA ALA A 82 4.071 -7.190 -8.843 1.00 0.00 C ATOM 1326 C ALA A 82 4.350 -8.599 -9.410 1.00 0.00 C ATOM 1327 O ALA A 82 5.273 -8.786 -10.207 1.00 0.00 O ATOM 1328 CB ALA A 82 2.819 -6.557 -9.481 1.00 0.00 C ATOM 0 H ALA A 82 5.835 -6.634 -9.795 1.00 0.00 H new ATOM 0 HA ALA A 82 3.906 -7.316 -7.773 1.00 0.00 H new ATOM 0 HB1 ALA A 82 1.961 -7.211 -9.325 1.00 0.00 H new ATOM 0 HB2 ALA A 82 2.626 -5.588 -9.020 1.00 0.00 H new ATOM 0 HB3 ALA A 82 2.983 -6.424 -10.550 1.00 0.00 H new ATOM 1334 N VAL A 83 3.525 -9.585 -9.035 1.00 0.00 N ATOM 1335 CA VAL A 83 3.614 -10.985 -9.506 1.00 0.00 C ATOM 1336 C VAL A 83 3.270 -11.159 -11.000 1.00 0.00 C ATOM 1337 O VAL A 83 3.570 -12.203 -11.582 1.00 0.00 O ATOM 1338 CB VAL A 83 2.735 -11.961 -8.671 1.00 0.00 C ATOM 1339 CG1 VAL A 83 3.602 -13.127 -8.183 1.00 0.00 C ATOM 1340 CG2 VAL A 83 2.021 -11.347 -7.451 1.00 0.00 C ATOM 0 H VAL A 83 2.757 -9.434 -8.381 1.00 0.00 H new ATOM 0 HA VAL A 83 4.664 -11.240 -9.365 1.00 0.00 H new ATOM 0 HB VAL A 83 1.944 -12.275 -9.351 1.00 0.00 H new ATOM 0 HG11 VAL A 83 2.991 -13.814 -7.597 1.00 0.00 H new ATOM 0 HG12 VAL A 83 4.020 -13.654 -9.041 1.00 0.00 H new ATOM 0 HG13 VAL A 83 4.412 -12.743 -7.563 1.00 0.00 H new ATOM 0 HG21 VAL A 83 1.438 -12.117 -6.945 1.00 0.00 H new ATOM 0 HG22 VAL A 83 2.762 -10.941 -6.762 1.00 0.00 H new ATOM 0 HG23 VAL A 83 1.357 -10.548 -7.782 1.00 0.00 H new ATOM 1350 N GLY A 84 2.659 -10.145 -11.627 1.00 0.00 N ATOM 1351 CA GLY A 84 2.322 -10.103 -13.052 1.00 0.00 C ATOM 1352 C GLY A 84 1.956 -8.696 -13.529 1.00 0.00 C ATOM 1353 O GLY A 84 1.650 -7.815 -12.722 1.00 0.00 O ATOM 0 H GLY A 84 2.376 -9.299 -11.133 1.00 0.00 H new ATOM 0 HA2 GLY A 84 3.168 -10.471 -13.633 1.00 0.00 H new ATOM 0 HA3 GLY A 84 1.487 -10.776 -13.244 1.00 0.00 H new ATOM 1357 N ILE A 85 1.978 -8.489 -14.846 1.00 0.00 N ATOM 1358 CA ILE A 85 1.677 -7.208 -15.515 1.00 0.00 C ATOM 1359 C ILE A 85 0.345 -7.323 -16.278 1.00 0.00 C ATOM 1360 O ILE A 85 0.106 -8.326 -16.955 1.00 0.00 O ATOM 1361 CB ILE A 85 2.843 -6.821 -16.460 1.00 0.00 C ATOM 1362 CG1 ILE A 85 4.233 -6.841 -15.776 1.00 0.00 C ATOM 1363 CG2 ILE A 85 2.593 -5.450 -17.119 1.00 0.00 C ATOM 1364 CD1 ILE A 85 4.417 -5.873 -14.597 1.00 0.00 C ATOM 0 H ILE A 85 2.213 -9.230 -15.506 1.00 0.00 H new ATOM 0 HA ILE A 85 1.573 -6.418 -14.771 1.00 0.00 H new ATOM 0 HB ILE A 85 2.864 -7.593 -17.229 1.00 0.00 H new ATOM 0 HG12 ILE A 85 4.428 -7.854 -15.423 1.00 0.00 H new ATOM 0 HG13 ILE A 85 4.989 -6.615 -16.528 1.00 0.00 H new ATOM 0 HG21 ILE A 85 3.427 -5.205 -17.776 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.672 -5.488 -17.701 1.00 0.00 H new ATOM 0 HG23 ILE A 85 2.503 -4.686 -16.347 1.00 0.00 H new ATOM 0 HD11 ILE A 85 5.426 -5.974 -14.197 1.00 0.00 H new ATOM 0 HD12 ILE A 85 4.263 -4.850 -14.939 1.00 0.00 H new ATOM 0 HD13 ILE A 85 3.693 -6.108 -13.817 1.00 0.00 H new ATOM 1376 N VAL A 86 -0.515 -6.304 -16.179 1.00 0.00 N ATOM 1377 CA VAL A 86 -1.869 -6.254 -16.770 1.00 0.00 C ATOM 1378 C VAL A 86 -2.127 -4.829 -17.306 1.00 0.00 C ATOM 1379 O VAL A 86 -1.779 -3.878 -16.602 1.00 0.00 O ATOM 1380 CB VAL A 86 -2.956 -6.635 -15.727 1.00 0.00 C ATOM 1381 CG1 VAL A 86 -4.362 -6.684 -16.352 1.00 0.00 C ATOM 1382 CG2 VAL A 86 -2.693 -8.000 -15.063 1.00 0.00 C ATOM 0 H VAL A 86 -0.283 -5.454 -15.665 1.00 0.00 H new ATOM 0 HA VAL A 86 -1.924 -6.977 -17.583 1.00 0.00 H new ATOM 0 HB VAL A 86 -2.906 -5.850 -14.973 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -5.091 -6.954 -15.588 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.612 -5.706 -16.762 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.380 -7.427 -17.149 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -3.484 -8.213 -14.344 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -2.676 -8.778 -15.826 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -1.732 -7.975 -14.549 1.00 0.00 H new ATOM 1392 N PRO A 87 -2.704 -4.647 -18.516 1.00 0.00 N ATOM 1393 CA PRO A 87 -3.041 -3.335 -19.080 1.00 0.00 C ATOM 1394 C PRO A 87 -3.927 -2.468 -18.160 1.00 0.00 C ATOM 1395 O PRO A 87 -4.663 -3.020 -17.335 1.00 0.00 O ATOM 1396 CB PRO A 87 -3.762 -3.629 -20.402 1.00 0.00 C ATOM 1397 CG PRO A 87 -3.178 -4.971 -20.829 1.00 0.00 C ATOM 1398 CD PRO A 87 -2.993 -5.690 -19.495 1.00 0.00 C ATOM 0 HA PRO A 87 -2.131 -2.749 -19.213 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -4.842 -3.685 -20.267 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -3.573 -2.854 -21.144 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -3.851 -5.514 -21.493 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -2.234 -4.852 -21.360 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -3.891 -6.244 -19.222 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -2.178 -6.411 -19.550 1.00 0.00 H new ATOM 1406 N PRO A 88 -3.899 -1.126 -18.299 1.00 0.00 N ATOM 1407 CA PRO A 88 -4.724 -0.220 -17.501 1.00 0.00 C ATOM 1408 C PRO A 88 -6.225 -0.450 -17.770 1.00 0.00 C ATOM 1409 O PRO A 88 -6.604 -0.708 -18.917 1.00 0.00 O ATOM 1410 CB PRO A 88 -4.277 1.197 -17.878 1.00 0.00 C ATOM 1411 CG PRO A 88 -3.711 1.033 -19.286 1.00 0.00 C ATOM 1412 CD PRO A 88 -3.092 -0.363 -19.243 1.00 0.00 C ATOM 0 HA PRO A 88 -4.594 -0.392 -16.433 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -5.111 1.898 -17.861 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -3.526 1.578 -17.186 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -4.489 1.107 -20.046 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -2.969 1.798 -19.515 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -3.102 -0.826 -20.230 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -2.051 -0.320 -18.922 1.00 0.00 H new ATOM 1420 N PRO A 89 -7.086 -0.376 -16.734 1.00 0.00 N ATOM 1421 CA PRO A 89 -8.491 -0.763 -16.826 1.00 0.00 C ATOM 1422 C PRO A 89 -9.329 0.258 -17.608 1.00 0.00 C ATOM 1423 O PRO A 89 -9.119 1.467 -17.518 1.00 0.00 O ATOM 1424 CB PRO A 89 -8.972 -0.907 -15.378 1.00 0.00 C ATOM 1425 CG PRO A 89 -8.076 0.062 -14.608 1.00 0.00 C ATOM 1426 CD PRO A 89 -6.749 -0.028 -15.359 1.00 0.00 C ATOM 0 HA PRO A 89 -8.605 -1.694 -17.381 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -10.026 -0.646 -15.277 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -8.861 -1.930 -15.018 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -8.477 1.076 -14.616 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -7.969 -0.230 -13.563 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -6.212 0.920 -15.317 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -6.100 -0.782 -14.914 1.00 0.00 H new ATOM 1434 N SER A 90 -10.309 -0.248 -18.361 1.00 0.00 N ATOM 1435 CA SER A 90 -11.233 0.517 -19.213 1.00 0.00 C ATOM 1436 C SER A 90 -12.420 -0.368 -19.660 1.00 0.00 C ATOM 1437 O SER A 90 -12.375 -1.598 -19.525 1.00 0.00 O ATOM 1438 CB SER A 90 -10.484 1.090 -20.430 1.00 0.00 C ATOM 1439 OG SER A 90 -11.274 2.052 -21.120 1.00 0.00 O ATOM 0 H SER A 90 -10.491 -1.251 -18.397 1.00 0.00 H new ATOM 0 HA SER A 90 -11.634 1.349 -18.635 1.00 0.00 H new ATOM 0 HB2 SER A 90 -9.552 1.550 -20.102 1.00 0.00 H new ATOM 0 HB3 SER A 90 -10.218 0.280 -21.110 1.00 0.00 H new ATOM 0 HG SER A 90 -10.771 2.399 -21.886 1.00 0.00 H new ATOM 1445 N GLY A 91 -13.489 0.243 -20.187 1.00 0.00 N ATOM 1446 CA GLY A 91 -14.707 -0.451 -20.635 1.00 0.00 C ATOM 1447 C GLY A 91 -15.694 -0.768 -19.494 1.00 0.00 C ATOM 1448 O GLY A 91 -15.597 -0.162 -18.419 1.00 0.00 O ATOM 0 H GLY A 91 -13.534 1.254 -20.317 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -15.212 0.164 -21.380 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -14.424 -1.381 -21.128 1.00 0.00 H new ATOM 1452 N PRO A 92 -16.666 -1.677 -19.720 1.00 0.00 N ATOM 1453 CA PRO A 92 -17.699 -2.027 -18.746 1.00 0.00 C ATOM 1454 C PRO A 92 -17.146 -2.897 -17.607 1.00 0.00 C ATOM 1455 O PRO A 92 -16.117 -3.559 -17.744 1.00 0.00 O ATOM 1456 CB PRO A 92 -18.778 -2.761 -19.550 1.00 0.00 C ATOM 1457 CG PRO A 92 -17.983 -3.426 -20.671 1.00 0.00 C ATOM 1458 CD PRO A 92 -16.886 -2.403 -20.966 1.00 0.00 C ATOM 0 HA PRO A 92 -18.098 -1.141 -18.252 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -19.306 -3.494 -18.940 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -19.527 -2.073 -19.941 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -17.568 -4.384 -20.358 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -18.603 -3.618 -21.547 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -15.972 -2.896 -21.297 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -17.189 -1.725 -21.764 1.00 0.00 H new ATOM 1466 N SER A 93 -17.847 -2.902 -16.471 1.00 0.00 N ATOM 1467 CA SER A 93 -17.471 -3.652 -15.260 1.00 0.00 C ATOM 1468 C SER A 93 -17.535 -5.184 -15.449 1.00 0.00 C ATOM 1469 O SER A 93 -18.473 -5.719 -16.048 1.00 0.00 O ATOM 1470 CB SER A 93 -18.392 -3.253 -14.094 1.00 0.00 C ATOM 1471 OG SER A 93 -18.429 -1.842 -13.886 1.00 0.00 O ATOM 0 H SER A 93 -18.713 -2.374 -16.360 1.00 0.00 H new ATOM 0 HA SER A 93 -16.434 -3.394 -15.044 1.00 0.00 H new ATOM 0 HB2 SER A 93 -19.401 -3.615 -14.292 1.00 0.00 H new ATOM 0 HB3 SER A 93 -18.051 -3.743 -13.182 1.00 0.00 H new ATOM 0 HG SER A 93 -19.027 -1.637 -13.137 1.00 0.00 H new ATOM 1477 N SER A 94 -16.551 -5.911 -14.911 1.00 0.00 N ATOM 1478 CA SER A 94 -16.482 -7.381 -14.964 1.00 0.00 C ATOM 1479 C SER A 94 -17.560 -8.066 -14.096 1.00 0.00 C ATOM 1480 O SER A 94 -17.916 -7.576 -13.016 1.00 0.00 O ATOM 1481 CB SER A 94 -15.091 -7.855 -14.505 1.00 0.00 C ATOM 1482 OG SER A 94 -14.036 -7.213 -15.219 1.00 0.00 O ATOM 0 H SER A 94 -15.764 -5.490 -14.417 1.00 0.00 H new ATOM 0 HA SER A 94 -16.665 -7.666 -16.000 1.00 0.00 H new ATOM 0 HB2 SER A 94 -14.977 -7.659 -13.439 1.00 0.00 H new ATOM 0 HB3 SER A 94 -15.014 -8.934 -14.641 1.00 0.00 H new ATOM 0 HG SER A 94 -13.173 -7.543 -14.894 1.00 0.00 H new ATOM 1488 N GLY A 95 -18.062 -9.226 -14.547 1.00 0.00 N ATOM 1489 CA GLY A 95 -19.071 -10.037 -13.843 1.00 0.00 C ATOM 1490 C GLY A 95 -19.422 -11.324 -14.588 1.00 0.00 C ATOM 1491 O GLY A 95 -20.436 -11.330 -15.321 1.00 0.00 O ATOM 1492 OXT GLY A 95 -18.674 -12.316 -14.442 1.00 0.00 O ATOM 0 H GLY A 95 -17.771 -9.638 -15.434 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -18.700 -10.288 -12.849 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -19.975 -9.444 -13.705 1.00 0.00 H new TER 1496 GLY A 95