USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 0 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 79 TYR OH : rot -39:sc= 1.05 USER MOD Set 1.2: A 83 GLN : amide:sc= 1.04 K(o=2.1,f=-0.66) USER MOD Set 2.1: A 53 GLN : amide:sc= 1.75 K(o=5.2,f=-11!) USER MOD Set 2.2: A 58 LYS NZ :NH3+ 156:sc= 3.49 (180deg=2.33) USER MOD Set 3.1: A 33 GLN : amide:sc= 0.798 K(o=3.2,f=-4.6) USER MOD Set 3.2: A 87 ASN : amide:sc= 2.39 K(o=3.2,f=-4.1!) USER MOD Set 4.1: A 19 HIS : no HE2:sc= -0.625 K(o=-1.7,f=-6.2!) USER MOD Set 4.2: A 24 ASN : amide:sc= -1.05 K(o=-1.7,f=-9.2!) USER MOD Single : A 8 LYS NZ :NH3+ 151:sc= -0.326 (180deg=-1.78!) USER MOD Single : A 14 ASN : amide:sc= 1.02 K(o=1,f=0.11) USER MOD Single : A 15 CYS SG : rot 180:sc= -1.31 USER MOD Single : A 18 CYS SG : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0.765 K(o=0.77,f=-0.0077) USER MOD Single : A 30 HIS : no HE2:sc= -0.764 K(o=-0.76,f=-5.2!) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.02 USER MOD Single : A 34 LYS NZ :NH3+ -116:sc= 0.83 (180deg=-3.34!) USER MOD Single : A 39 GLN : amide:sc= -0.132 X(o=-0.13,f=-0.095) USER MOD Single : A 46 ASN : amide:sc= 2.05 K(o=2,f=-4.4!) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= 0.72 K(o=0.72,f=0) USER MOD Single : A 61 MET CE :methyl 180:sc= -0.22 (180deg=-0.22) USER MOD Single : A 81 TYR OH : rot -1:sc= 0.972 USER MOD Single : A 88 LYS NZ :NH3+ -177:sc= 0.757 (180deg=0.62) USER MOD ----------------------------------------------------------------- ATOM 23 N LEU A 4 4.990 -11.917 2.191 1.00 0.00 N ATOM 24 CA LEU A 4 4.953 -10.819 3.131 1.00 0.00 C ATOM 25 C LEU A 4 6.363 -10.285 3.375 1.00 0.00 C ATOM 26 O LEU A 4 6.527 -9.082 3.550 1.00 0.00 O ATOM 27 CB LEU A 4 4.310 -11.270 4.448 1.00 0.00 C ATOM 28 CG LEU A 4 2.941 -11.950 4.280 1.00 0.00 C ATOM 29 CD1 LEU A 4 2.330 -12.149 5.669 1.00 0.00 C ATOM 30 CD2 LEU A 4 1.963 -11.141 3.419 1.00 0.00 C ATOM 0 HA LEU A 4 4.349 -10.015 2.710 1.00 0.00 H new ATOM 0 HB2 LEU A 4 4.987 -11.960 4.952 1.00 0.00 H new ATOM 0 HB3 LEU A 4 4.195 -10.403 5.099 1.00 0.00 H new ATOM 0 HG LEU A 4 3.106 -12.897 3.766 1.00 0.00 H new ATOM 0 HD11 LEU A 4 1.357 -12.631 5.573 1.00 0.00 H new ATOM 0 HD12 LEU A 4 2.988 -12.777 6.269 1.00 0.00 H new ATOM 0 HD13 LEU A 4 2.209 -11.181 6.155 1.00 0.00 H new ATOM 0 HD21 LEU A 4 1.017 -11.677 3.341 1.00 0.00 H new ATOM 0 HD22 LEU A 4 1.791 -10.168 3.880 1.00 0.00 H new ATOM 0 HD23 LEU A 4 2.384 -11.002 2.423 1.00 0.00 H new ATOM 31 N ALA A 5 7.386 -11.148 3.398 1.00 0.00 N ATOM 32 CA ALA A 5 8.759 -10.695 3.609 1.00 0.00 C ATOM 33 C ALA A 5 9.271 -9.968 2.366 1.00 0.00 C ATOM 34 O ALA A 5 9.811 -8.870 2.481 1.00 0.00 O ATOM 35 CB ALA A 5 9.661 -11.865 4.013 1.00 0.00 C ATOM 0 H ALA A 5 7.287 -12.156 3.274 1.00 0.00 H new ATOM 0 HA ALA A 5 8.778 -9.983 4.434 1.00 0.00 H new ATOM 0 HB1 ALA A 5 10.678 -11.505 4.165 1.00 0.00 H new ATOM 0 HB2 ALA A 5 9.291 -12.307 4.938 1.00 0.00 H new ATOM 0 HB3 ALA A 5 9.657 -12.617 3.224 1.00 0.00 H new ATOM 36 N LEU A 6 9.061 -10.536 1.177 1.00 0.00 N ATOM 37 CA LEU A 6 9.236 -9.867 -0.097 1.00 0.00 C ATOM 38 C LEU A 6 8.486 -8.535 -0.053 1.00 0.00 C ATOM 39 O LEU A 6 9.081 -7.474 -0.234 1.00 0.00 O ATOM 40 CB LEU A 6 8.699 -10.802 -1.194 1.00 0.00 C ATOM 41 CG LEU A 6 8.647 -10.159 -2.584 1.00 0.00 C ATOM 42 CD1 LEU A 6 10.050 -9.902 -3.147 1.00 0.00 C ATOM 43 CD2 LEU A 6 7.852 -11.048 -3.547 1.00 0.00 C ATOM 0 H LEU A 6 8.755 -11.504 1.080 1.00 0.00 H new ATOM 0 HA LEU A 6 10.283 -9.651 -0.309 1.00 0.00 H new ATOM 0 HB2 LEU A 6 9.327 -11.692 -1.239 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.697 -11.132 -0.919 1.00 0.00 H new ATOM 0 HG LEU A 6 8.149 -9.195 -2.482 1.00 0.00 H new ATOM 0 HD11 LEU A 6 9.968 -9.446 -4.133 1.00 0.00 H new ATOM 0 HD12 LEU A 6 10.592 -9.231 -2.481 1.00 0.00 H new ATOM 0 HD13 LEU A 6 10.588 -10.846 -3.228 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.821 -10.581 -4.532 1.00 0.00 H new ATOM 0 HD22 LEU A 6 8.333 -12.023 -3.622 1.00 0.00 H new ATOM 0 HD23 LEU A 6 6.836 -11.172 -3.173 1.00 0.00 H new ATOM 44 N GLY A 7 7.179 -8.590 0.220 1.00 0.00 N ATOM 45 CA GLY A 7 6.346 -7.410 0.351 1.00 0.00 C ATOM 46 C GLY A 7 6.976 -6.363 1.265 1.00 0.00 C ATOM 47 O GLY A 7 7.035 -5.189 0.915 1.00 0.00 O ATOM 0 H GLY A 7 6.674 -9.466 0.356 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.176 -6.976 -0.634 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.371 -7.697 0.746 1.00 0.00 H new ATOM 48 N LYS A 8 7.477 -6.772 2.430 1.00 0.00 N ATOM 49 CA LYS A 8 8.155 -5.875 3.336 1.00 0.00 C ATOM 50 C LYS A 8 9.396 -5.278 2.679 1.00 0.00 C ATOM 51 O LYS A 8 9.540 -4.065 2.649 1.00 0.00 O ATOM 52 CB LYS A 8 8.493 -6.594 4.642 1.00 0.00 C ATOM 53 CG LYS A 8 9.197 -5.588 5.547 1.00 0.00 C ATOM 54 CD LYS A 8 9.256 -6.101 6.982 1.00 0.00 C ATOM 55 CE LYS A 8 9.923 -5.139 7.988 1.00 0.00 C ATOM 56 NZ LYS A 8 10.175 -3.771 7.479 1.00 0.00 N ATOM 0 H LYS A 8 7.419 -7.735 2.763 1.00 0.00 H new ATOM 0 HA LYS A 8 7.488 -5.048 3.577 1.00 0.00 H new ATOM 0 HB2 LYS A 8 7.588 -6.971 5.118 1.00 0.00 H new ATOM 0 HB3 LYS A 8 9.135 -7.454 4.452 1.00 0.00 H new ATOM 0 HG2 LYS A 8 10.207 -5.405 5.179 1.00 0.00 H new ATOM 0 HG3 LYS A 8 8.670 -4.634 5.518 1.00 0.00 H new ATOM 0 HD2 LYS A 8 8.241 -6.310 7.320 1.00 0.00 H new ATOM 0 HD3 LYS A 8 9.797 -7.047 6.992 1.00 0.00 H new ATOM 0 HE2 LYS A 8 9.291 -5.069 8.874 1.00 0.00 H new ATOM 0 HE3 LYS A 8 10.871 -5.572 8.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 10.146 -3.096 8.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 11.111 -3.736 7.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 9.445 -3.520 6.782 1.00 0.00 H new ATOM 57 N ALA A 9 10.305 -6.114 2.182 1.00 0.00 N ATOM 58 CA ALA A 9 11.514 -5.661 1.501 1.00 0.00 C ATOM 59 C ALA A 9 11.193 -4.585 0.456 1.00 0.00 C ATOM 60 O ALA A 9 11.844 -3.541 0.411 1.00 0.00 O ATOM 61 CB ALA A 9 12.241 -6.852 0.869 1.00 0.00 C ATOM 0 H ALA A 9 10.223 -7.129 2.241 1.00 0.00 H new ATOM 0 HA ALA A 9 12.176 -5.207 2.238 1.00 0.00 H new ATOM 0 HB1 ALA A 9 13.141 -6.502 0.364 1.00 0.00 H new ATOM 0 HB2 ALA A 9 12.515 -7.565 1.646 1.00 0.00 H new ATOM 0 HB3 ALA A 9 11.585 -7.337 0.146 1.00 0.00 H new ATOM 62 N VAL A 10 10.166 -4.821 -0.365 1.00 0.00 N ATOM 63 CA VAL A 10 9.677 -3.835 -1.308 1.00 0.00 C ATOM 64 C VAL A 10 9.228 -2.582 -0.554 1.00 0.00 C ATOM 65 O VAL A 10 9.704 -1.488 -0.859 1.00 0.00 O ATOM 66 CB VAL A 10 8.535 -4.444 -2.135 1.00 0.00 C ATOM 67 CG1 VAL A 10 7.942 -3.418 -3.102 1.00 0.00 C ATOM 68 CG2 VAL A 10 9.007 -5.642 -2.960 1.00 0.00 C ATOM 0 H VAL A 10 9.656 -5.704 -0.388 1.00 0.00 H new ATOM 0 HA VAL A 10 10.471 -3.542 -1.995 1.00 0.00 H new ATOM 0 HB VAL A 10 7.781 -4.766 -1.417 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.136 -3.879 -3.673 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.549 -2.572 -2.539 1.00 0.00 H new ATOM 0 HG13 VAL A 10 8.718 -3.071 -3.785 1.00 0.00 H new ATOM 0 HG21 VAL A 10 8.169 -6.044 -3.530 1.00 0.00 H new ATOM 0 HG22 VAL A 10 9.794 -5.325 -3.645 1.00 0.00 H new ATOM 0 HG23 VAL A 10 9.395 -6.412 -2.294 1.00 0.00 H new ATOM 69 N PHE A 11 8.315 -2.741 0.407 1.00 0.00 N ATOM 70 CA PHE A 11 7.730 -1.664 1.193 1.00 0.00 C ATOM 71 C PHE A 11 8.800 -0.723 1.737 1.00 0.00 C ATOM 72 O PHE A 11 8.827 0.469 1.428 1.00 0.00 O ATOM 73 CB PHE A 11 6.880 -2.244 2.330 1.00 0.00 C ATOM 74 CG PHE A 11 6.108 -1.197 3.099 1.00 0.00 C ATOM 75 CD1 PHE A 11 4.894 -0.721 2.581 1.00 0.00 C ATOM 76 CD2 PHE A 11 6.679 -0.584 4.232 1.00 0.00 C ATOM 77 CE1 PHE A 11 4.285 0.409 3.146 1.00 0.00 C ATOM 78 CE2 PHE A 11 6.047 0.524 4.822 1.00 0.00 C ATOM 79 CZ PHE A 11 4.855 1.027 4.272 1.00 0.00 C ATOM 0 H PHE A 11 7.953 -3.659 0.665 1.00 0.00 H new ATOM 0 HA PHE A 11 7.086 -1.077 0.538 1.00 0.00 H new ATOM 0 HB2 PHE A 11 6.180 -2.969 1.916 1.00 0.00 H new ATOM 0 HB3 PHE A 11 7.529 -2.785 3.019 1.00 0.00 H new ATOM 0 HD1 PHE A 11 4.428 -1.225 1.747 1.00 0.00 H new ATOM 0 HD2 PHE A 11 7.601 -0.965 4.646 1.00 0.00 H new ATOM 0 HE1 PHE A 11 3.377 0.805 2.715 1.00 0.00 H new ATOM 0 HE2 PHE A 11 6.477 0.989 5.697 1.00 0.00 H new ATOM 0 HZ PHE A 11 4.377 1.888 4.715 1.00 0.00 H new ATOM 80 N ASP A 12 9.691 -1.297 2.538 1.00 0.00 N ATOM 81 CA ASP A 12 10.825 -0.663 3.169 1.00 0.00 C ATOM 82 C ASP A 12 11.618 0.185 2.169 1.00 0.00 C ATOM 83 O ASP A 12 12.087 1.265 2.524 1.00 0.00 O ATOM 84 CB ASP A 12 11.704 -1.765 3.774 1.00 0.00 C ATOM 85 CG ASP A 12 11.145 -2.437 5.026 1.00 0.00 C ATOM 86 OD1 ASP A 12 9.917 -2.425 5.277 1.00 0.00 O ATOM 87 OD2 ASP A 12 11.961 -3.012 5.782 1.00 0.00 O ATOM 0 H ASP A 12 9.628 -2.287 2.775 1.00 0.00 H new ATOM 0 HA ASP A 12 10.482 0.016 3.950 1.00 0.00 H new ATOM 0 HB2 ASP A 12 11.871 -2.530 3.016 1.00 0.00 H new ATOM 0 HB3 ASP A 12 12.677 -1.338 4.016 1.00 0.00 H new ATOM 88 N GLY A 13 11.788 -0.289 0.928 1.00 0.00 N ATOM 89 CA GLY A 13 12.575 0.417 -0.068 1.00 0.00 C ATOM 90 C GLY A 13 11.758 1.497 -0.775 1.00 0.00 C ATOM 91 O GLY A 13 12.245 2.600 -1.009 1.00 0.00 O ATOM 0 H GLY A 13 11.384 -1.165 0.597 1.00 0.00 H new ATOM 0 HA2 GLY A 13 13.443 0.872 0.410 1.00 0.00 H new ATOM 0 HA3 GLY A 13 12.952 -0.293 -0.804 1.00 0.00 H new ATOM 92 N ASN A 14 10.533 1.151 -1.177 1.00 0.00 N ATOM 93 CA ASN A 14 9.785 1.873 -2.200 1.00 0.00 C ATOM 94 C ASN A 14 8.700 2.763 -1.606 1.00 0.00 C ATOM 95 O ASN A 14 8.396 3.824 -2.149 1.00 0.00 O ATOM 96 CB ASN A 14 9.124 0.884 -3.171 1.00 0.00 C ATOM 97 CG ASN A 14 10.138 0.124 -4.015 1.00 0.00 C ATOM 98 OD1 ASN A 14 10.431 0.512 -5.142 1.00 0.00 O ATOM 99 ND2 ASN A 14 10.676 -0.968 -3.482 1.00 0.00 N ATOM 0 H ASN A 14 10.029 0.351 -0.794 1.00 0.00 H new ATOM 0 HA ASN A 14 10.502 2.505 -2.723 1.00 0.00 H new ATOM 0 HB2 ASN A 14 8.522 0.173 -2.605 1.00 0.00 H new ATOM 0 HB3 ASN A 14 8.444 1.426 -3.828 1.00 0.00 H new ATOM 0 HD21 ASN A 14 11.356 -1.513 -4.013 1.00 0.00 H new ATOM 0 HD22 ASN A 14 10.409 -1.261 -2.542 1.00 0.00 H new ATOM 100 N CYS A 15 8.058 2.285 -0.541 1.00 0.00 N ATOM 101 CA CYS A 15 6.782 2.787 -0.055 1.00 0.00 C ATOM 102 C CYS A 15 7.019 3.616 1.203 1.00 0.00 C ATOM 103 O CYS A 15 6.497 4.725 1.341 1.00 0.00 O ATOM 104 CB CYS A 15 5.865 1.622 0.232 1.00 0.00 C ATOM 105 SG CYS A 15 5.748 0.411 -1.125 1.00 0.00 S ATOM 0 H CYS A 15 8.425 1.516 0.020 1.00 0.00 H new ATOM 0 HA CYS A 15 6.312 3.420 -0.807 1.00 0.00 H new ATOM 0 HB2 CYS A 15 6.214 1.112 1.130 1.00 0.00 H new ATOM 0 HB3 CYS A 15 4.868 2.004 0.450 1.00 0.00 H new ATOM 0 HG CYS A 15 4.941 -0.549 -0.782 1.00 0.00 H new ATOM 106 N ALA A 16 7.851 3.087 2.108 1.00 0.00 N ATOM 107 CA ALA A 16 8.235 3.730 3.359 1.00 0.00 C ATOM 108 C ALA A 16 8.674 5.184 3.157 1.00 0.00 C ATOM 109 O ALA A 16 8.446 6.020 4.029 1.00 0.00 O ATOM 110 CB ALA A 16 9.345 2.920 4.028 1.00 0.00 C ATOM 0 H ALA A 16 8.285 2.173 1.981 1.00 0.00 H new ATOM 0 HA ALA A 16 7.358 3.756 4.005 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.633 3.400 4.963 1.00 0.00 H new ATOM 0 HB2 ALA A 16 8.986 1.911 4.233 1.00 0.00 H new ATOM 0 HB3 ALA A 16 10.209 2.870 3.365 1.00 0.00 H new ATOM 111 N ALA A 17 9.274 5.485 1.999 1.00 0.00 N ATOM 112 CA ALA A 17 9.598 6.836 1.557 1.00 0.00 C ATOM 113 C ALA A 17 8.488 7.839 1.892 1.00 0.00 C ATOM 114 O ALA A 17 8.777 8.935 2.366 1.00 0.00 O ATOM 115 CB ALA A 17 9.862 6.820 0.048 1.00 0.00 C ATOM 0 H ALA A 17 9.554 4.770 1.328 1.00 0.00 H new ATOM 0 HA ALA A 17 10.490 7.162 2.091 1.00 0.00 H new ATOM 0 HB1 ALA A 17 10.105 7.828 -0.290 1.00 0.00 H new ATOM 0 HB2 ALA A 17 10.697 6.154 -0.168 1.00 0.00 H new ATOM 0 HB3 ALA A 17 8.972 6.467 -0.473 1.00 0.00 H new ATOM 116 N CYS A 18 7.230 7.465 1.632 1.00 0.00 N ATOM 117 CA CYS A 18 6.062 8.288 1.928 1.00 0.00 C ATOM 118 C CYS A 18 5.282 7.730 3.121 1.00 0.00 C ATOM 119 O CYS A 18 4.612 8.501 3.806 1.00 0.00 O ATOM 120 CB CYS A 18 5.179 8.396 0.711 1.00 0.00 C ATOM 121 SG CYS A 18 6.032 9.312 -0.608 1.00 0.00 S ATOM 0 H CYS A 18 6.996 6.569 1.204 1.00 0.00 H new ATOM 0 HA CYS A 18 6.406 9.287 2.197 1.00 0.00 H new ATOM 0 HB2 CYS A 18 4.912 7.400 0.357 1.00 0.00 H new ATOM 0 HB3 CYS A 18 4.249 8.902 0.972 1.00 0.00 H new ATOM 0 HG CYS A 18 5.258 9.394 -1.650 1.00 0.00 H new ATOM 122 N HIS A 19 5.346 6.411 3.352 1.00 0.00 N ATOM 123 CA HIS A 19 4.517 5.688 4.313 1.00 0.00 C ATOM 124 C HIS A 19 5.319 5.040 5.449 1.00 0.00 C ATOM 125 O HIS A 19 4.917 3.989 5.942 1.00 0.00 O ATOM 126 CB HIS A 19 3.747 4.602 3.554 1.00 0.00 C ATOM 127 CG HIS A 19 2.808 5.138 2.515 1.00 0.00 C ATOM 128 ND1 HIS A 19 1.611 5.756 2.781 1.00 0.00 N ATOM 129 CD2 HIS A 19 2.855 4.878 1.170 1.00 0.00 C ATOM 130 CE1 HIS A 19 0.948 5.846 1.624 1.00 0.00 C ATOM 131 NE2 HIS A 19 1.656 5.335 0.613 1.00 0.00 N ATOM 0 H HIS A 19 5.999 5.803 2.857 1.00 0.00 H new ATOM 0 HA HIS A 19 3.849 6.411 4.782 1.00 0.00 H new ATOM 0 HB2 HIS A 19 4.461 3.932 3.074 1.00 0.00 H new ATOM 0 HB3 HIS A 19 3.180 4.005 4.269 1.00 0.00 H new ATOM 0 HD1 HIS A 19 1.288 6.085 3.691 1.00 0.00 H new ATOM 0 HD2 HIS A 19 3.668 4.407 0.638 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -0.036 6.278 1.520 1.00 0.00 H new ATOM 132 N ALA A 20 6.437 5.621 5.891 1.00 0.00 N ATOM 133 CA ALA A 20 7.196 5.104 7.030 1.00 0.00 C ATOM 134 C ALA A 20 6.263 4.728 8.193 1.00 0.00 C ATOM 135 O ALA A 20 5.505 5.568 8.668 1.00 0.00 O ATOM 136 CB ALA A 20 8.226 6.145 7.473 1.00 0.00 C ATOM 0 H ALA A 20 6.839 6.459 5.471 1.00 0.00 H new ATOM 0 HA ALA A 20 7.716 4.197 6.723 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.791 5.759 8.322 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.907 6.356 6.649 1.00 0.00 H new ATOM 0 HB3 ALA A 20 7.714 7.062 7.765 1.00 0.00 H new ATOM 137 N GLY A 21 6.254 3.456 8.609 1.00 0.00 N ATOM 138 CA GLY A 21 5.344 2.956 9.640 1.00 0.00 C ATOM 139 C GLY A 21 3.867 3.105 9.251 1.00 0.00 C ATOM 140 O GLY A 21 3.023 3.408 10.090 1.00 0.00 O ATOM 0 H GLY A 21 6.882 2.743 8.237 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.561 1.905 9.831 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.526 3.493 10.571 1.00 0.00 H new ATOM 141 N GLY A 22 3.551 2.928 7.967 1.00 0.00 N ATOM 142 CA GLY A 22 2.228 3.194 7.416 1.00 0.00 C ATOM 143 C GLY A 22 1.889 4.688 7.417 1.00 0.00 C ATOM 144 O GLY A 22 0.736 5.063 7.199 1.00 0.00 O ATOM 0 H GLY A 22 4.219 2.591 7.274 1.00 0.00 H new ATOM 0 HA2 GLY A 22 2.178 2.813 6.396 1.00 0.00 H new ATOM 0 HA3 GLY A 22 1.480 2.653 7.995 1.00 0.00 H new ATOM 145 N GLY A 23 2.885 5.540 7.672 1.00 0.00 N ATOM 146 CA GLY A 23 2.700 6.932 8.025 1.00 0.00 C ATOM 147 C GLY A 23 2.780 7.817 6.799 1.00 0.00 C ATOM 148 O GLY A 23 3.843 8.344 6.487 1.00 0.00 O ATOM 0 H GLY A 23 3.866 5.264 7.635 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.733 7.063 8.510 1.00 0.00 H new ATOM 0 HA3 GLY A 23 3.461 7.233 8.745 1.00 0.00 H new ATOM 149 N ASN A 24 1.646 7.978 6.119 1.00 0.00 N ATOM 150 CA ASN A 24 1.455 8.933 5.047 1.00 0.00 C ATOM 151 C ASN A 24 2.064 10.287 5.406 1.00 0.00 C ATOM 152 O ASN A 24 1.528 11.008 6.242 1.00 0.00 O ATOM 153 CB ASN A 24 -0.048 9.086 4.816 1.00 0.00 C ATOM 154 CG ASN A 24 -0.545 8.171 3.724 1.00 0.00 C ATOM 155 OD1 ASN A 24 -0.478 6.956 3.879 1.00 0.00 O ATOM 156 ND2 ASN A 24 -1.013 8.740 2.619 1.00 0.00 N ATOM 0 H ASN A 24 0.811 7.425 6.312 1.00 0.00 H new ATOM 0 HA ASN A 24 1.951 8.575 4.145 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -0.581 8.870 5.742 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -0.272 10.120 4.553 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -1.339 8.160 1.846 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -1.046 9.757 2.544 1.00 0.00 H new ATOM 157 N ASN A 25 3.163 10.647 4.747 1.00 0.00 N ATOM 158 CA ASN A 25 3.802 11.945 4.917 1.00 0.00 C ATOM 159 C ASN A 25 3.023 13.016 4.150 1.00 0.00 C ATOM 160 O ASN A 25 2.885 14.139 4.623 1.00 0.00 O ATOM 161 CB ASN A 25 5.266 11.882 4.454 1.00 0.00 C ATOM 162 CG ASN A 25 6.193 11.245 5.488 1.00 0.00 C ATOM 163 OD1 ASN A 25 7.108 11.897 5.980 1.00 0.00 O ATOM 164 ND2 ASN A 25 5.988 9.978 5.835 1.00 0.00 N ATOM 0 H ASN A 25 3.636 10.041 4.077 1.00 0.00 H new ATOM 0 HA ASN A 25 3.796 12.212 5.974 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.323 11.315 3.525 1.00 0.00 H new ATOM 0 HB3 ASN A 25 5.615 12.891 4.234 1.00 0.00 H new ATOM 0 HD21 ASN A 25 6.597 9.532 6.521 1.00 0.00 H new ATOM 0 HD22 ASN A 25 5.222 9.452 5.415 1.00 0.00 H new ATOM 165 N VAL A 26 2.526 12.677 2.957 1.00 0.00 N ATOM 166 CA VAL A 26 1.906 13.643 2.057 1.00 0.00 C ATOM 167 C VAL A 26 0.559 14.132 2.611 1.00 0.00 C ATOM 168 O VAL A 26 0.336 15.335 2.719 1.00 0.00 O ATOM 169 CB VAL A 26 1.761 13.031 0.650 1.00 0.00 C ATOM 170 CG1 VAL A 26 1.261 14.074 -0.359 1.00 0.00 C ATOM 171 CG2 VAL A 26 3.095 12.472 0.130 1.00 0.00 C ATOM 0 H VAL A 26 2.544 11.725 2.592 1.00 0.00 H new ATOM 0 HA VAL A 26 2.551 14.519 1.981 1.00 0.00 H new ATOM 0 HB VAL A 26 1.038 12.221 0.744 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.168 13.614 -1.343 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.289 14.450 -0.042 1.00 0.00 H new ATOM 0 HG13 VAL A 26 1.971 14.900 -0.410 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.950 12.050 -0.864 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.831 13.275 0.079 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.452 11.695 0.806 1.00 0.00 H new ATOM 172 N ILE A 27 -0.345 13.198 2.925 1.00 0.00 N ATOM 173 CA ILE A 27 -1.690 13.471 3.433 1.00 0.00 C ATOM 174 C ILE A 27 -1.791 12.812 4.819 1.00 0.00 C ATOM 175 O ILE A 27 -2.103 11.624 4.892 1.00 0.00 O ATOM 176 CB ILE A 27 -2.742 12.963 2.422 1.00 0.00 C ATOM 177 CG1 ILE A 27 -2.562 13.704 1.082 1.00 0.00 C ATOM 178 CG2 ILE A 27 -4.163 13.189 2.959 1.00 0.00 C ATOM 179 CD1 ILE A 27 -3.637 13.382 0.039 1.00 0.00 C ATOM 0 H ILE A 27 -0.153 12.201 2.829 1.00 0.00 H new ATOM 0 HA ILE A 27 -1.885 14.537 3.546 1.00 0.00 H new ATOM 0 HB ILE A 27 -2.599 11.893 2.271 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -2.564 14.778 1.270 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.585 13.454 0.669 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -4.889 12.824 2.232 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -4.287 12.649 3.898 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -4.323 14.254 3.129 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -3.438 13.943 -0.874 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -3.622 12.315 -0.181 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -4.617 13.659 0.429 1.00 0.00 H new ATOM 180 N PRO A 28 -1.466 13.548 5.900 1.00 0.00 N ATOM 181 CA PRO A 28 -1.158 13.010 7.221 1.00 0.00 C ATOM 182 C PRO A 28 -2.105 11.934 7.749 1.00 0.00 C ATOM 183 O PRO A 28 -1.662 10.996 8.406 1.00 0.00 O ATOM 184 CB PRO A 28 -1.137 14.213 8.163 1.00 0.00 C ATOM 185 CG PRO A 28 -0.659 15.347 7.262 1.00 0.00 C ATOM 186 CD PRO A 28 -1.255 14.992 5.900 1.00 0.00 C ATOM 0 HA PRO A 28 -0.206 12.484 7.155 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -2.124 14.417 8.579 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -0.463 14.055 9.005 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -1.012 16.316 7.615 1.00 0.00 H new ATOM 0 HG3 PRO A 28 0.429 15.398 7.224 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -2.194 15.521 5.739 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -0.582 15.285 5.094 1.00 0.00 H new ATOM 187 N ASP A 29 -3.406 12.100 7.518 1.00 0.00 N ATOM 188 CA ASP A 29 -4.477 11.272 8.049 1.00 0.00 C ATOM 189 C ASP A 29 -4.754 10.049 7.171 1.00 0.00 C ATOM 190 O ASP A 29 -5.298 9.055 7.653 1.00 0.00 O ATOM 191 CB ASP A 29 -5.736 12.140 8.167 1.00 0.00 C ATOM 192 CG ASP A 29 -6.163 12.712 6.819 1.00 0.00 C ATOM 193 OD1 ASP A 29 -5.296 13.366 6.191 1.00 0.00 O ATOM 194 OD2 ASP A 29 -7.332 12.487 6.447 1.00 0.00 O ATOM 0 H ASP A 29 -3.755 12.854 6.926 1.00 0.00 H new ATOM 0 HA ASP A 29 -4.177 10.891 9.025 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -6.549 11.545 8.582 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -5.550 12.956 8.865 1.00 0.00 H new ATOM 195 N HIS A 30 -4.370 10.072 5.892 1.00 0.00 N ATOM 196 CA HIS A 30 -4.745 9.041 4.926 1.00 0.00 C ATOM 197 C HIS A 30 -3.782 7.845 5.009 1.00 0.00 C ATOM 198 O HIS A 30 -3.354 7.305 3.992 1.00 0.00 O ATOM 199 CB HIS A 30 -4.816 9.718 3.548 1.00 0.00 C ATOM 200 CG HIS A 30 -5.514 8.967 2.441 1.00 0.00 C ATOM 201 ND1 HIS A 30 -5.368 7.636 2.128 1.00 0.00 N ATOM 202 CD2 HIS A 30 -6.237 9.544 1.429 1.00 0.00 C ATOM 203 CE1 HIS A 30 -5.976 7.427 0.948 1.00 0.00 C ATOM 204 NE2 HIS A 30 -6.518 8.560 0.481 1.00 0.00 N ATOM 0 H HIS A 30 -3.788 10.811 5.498 1.00 0.00 H new ATOM 0 HA HIS A 30 -5.724 8.611 5.139 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -5.316 10.679 3.670 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -3.797 9.927 3.223 1.00 0.00 H new ATOM 0 HD1 HIS A 30 -4.886 6.934 2.690 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -6.537 10.580 1.375 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -6.022 6.473 0.443 1.00 0.00 H new ATOM 205 N THR A 31 -3.428 7.451 6.237 1.00 0.00 N ATOM 206 CA THR A 31 -2.375 6.497 6.567 1.00 0.00 C ATOM 207 C THR A 31 -2.722 5.078 6.122 1.00 0.00 C ATOM 208 O THR A 31 -3.892 4.758 5.949 1.00 0.00 O ATOM 209 CB THR A 31 -2.190 6.514 8.089 1.00 0.00 C ATOM 210 OG1 THR A 31 -3.446 6.343 8.719 1.00 0.00 O ATOM 211 CG2 THR A 31 -1.595 7.840 8.558 1.00 0.00 C ATOM 0 H THR A 31 -3.896 7.811 7.069 1.00 0.00 H new ATOM 0 HA THR A 31 -1.464 6.788 6.044 1.00 0.00 H new ATOM 0 HB THR A 31 -1.510 5.704 8.353 1.00 0.00 H new ATOM 0 HG1 THR A 31 -3.328 6.352 9.692 1.00 0.00 H new ATOM 0 HG21 THR A 31 -1.476 7.822 9.641 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.623 7.989 8.088 1.00 0.00 H new ATOM 0 HG23 THR A 31 -2.261 8.656 8.280 1.00 0.00 H new ATOM 212 N LEU A 32 -1.745 4.167 6.100 1.00 0.00 N ATOM 213 CA LEU A 32 -2.015 2.756 5.822 1.00 0.00 C ATOM 214 C LEU A 32 -2.595 2.018 7.044 1.00 0.00 C ATOM 215 O LEU A 32 -2.397 0.811 7.185 1.00 0.00 O ATOM 216 CB LEU A 32 -0.741 2.056 5.325 1.00 0.00 C ATOM 217 CG LEU A 32 -0.007 2.775 4.180 1.00 0.00 C ATOM 218 CD1 LEU A 32 1.131 1.885 3.678 1.00 0.00 C ATOM 219 CD2 LEU A 32 -0.927 3.070 2.994 1.00 0.00 C ATOM 0 H LEU A 32 -0.763 4.382 6.271 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.772 2.721 5.039 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.054 1.946 6.164 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.003 1.051 4.994 1.00 0.00 H new ATOM 0 HG LEU A 32 0.362 3.721 4.577 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.656 2.389 2.866 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.827 1.690 4.494 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.722 0.942 3.316 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.362 3.578 2.213 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.327 2.135 2.603 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.748 3.708 3.321 1.00 0.00 H new ATOM 220 N GLN A 33 -3.304 2.716 7.940 1.00 0.00 N ATOM 221 CA GLN A 33 -3.987 2.076 9.058 1.00 0.00 C ATOM 222 C GLN A 33 -5.268 1.453 8.542 1.00 0.00 C ATOM 223 O GLN A 33 -5.783 1.849 7.499 1.00 0.00 O ATOM 224 CB GLN A 33 -4.388 3.078 10.140 1.00 0.00 C ATOM 225 CG GLN A 33 -3.208 3.833 10.728 1.00 0.00 C ATOM 226 CD GLN A 33 -2.310 3.013 11.641 1.00 0.00 C ATOM 227 OE1 GLN A 33 -2.741 2.563 12.695 1.00 0.00 O ATOM 228 NE2 GLN A 33 -1.043 2.842 11.275 1.00 0.00 N ATOM 0 H GLN A 33 -3.416 3.729 7.907 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.302 1.344 9.486 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -5.095 3.793 9.719 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -4.907 2.550 10.940 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -2.605 4.228 9.910 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -3.586 4.688 11.288 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -0.711 3.228 10.391 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -0.403 2.325 11.878 1.00 0.00 H new ATOM 229 N LYS A 34 -5.829 0.544 9.332 1.00 0.00 N ATOM 230 CA LYS A 34 -7.043 -0.153 8.936 1.00 0.00 C ATOM 231 C LYS A 34 -8.157 0.851 8.661 1.00 0.00 C ATOM 232 O LYS A 34 -8.667 0.942 7.549 1.00 0.00 O ATOM 233 CB LYS A 34 -7.451 -1.130 10.031 1.00 0.00 C ATOM 234 CG LYS A 34 -8.626 -1.986 9.555 1.00 0.00 C ATOM 235 CD LYS A 34 -8.945 -2.973 10.671 1.00 0.00 C ATOM 236 CE LYS A 34 -10.108 -3.920 10.331 1.00 0.00 C ATOM 237 NZ LYS A 34 -11.369 -3.222 9.987 1.00 0.00 N ATOM 0 H LYS A 34 -5.463 0.275 10.245 1.00 0.00 H new ATOM 0 HA LYS A 34 -6.858 -0.714 8.020 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.607 -1.769 10.293 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.729 -0.584 10.932 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -9.492 -1.362 9.334 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -8.370 -2.514 8.636 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -8.056 -3.564 10.889 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -9.189 -2.419 11.578 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -9.815 -4.554 9.494 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -10.288 -4.578 11.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -12.096 -3.450 10.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -11.206 -2.195 9.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -11.692 -3.531 9.048 1.00 0.00 H new ATOM 238 N ALA A 35 -8.514 1.608 9.700 1.00 0.00 N ATOM 239 CA ALA A 35 -9.575 2.599 9.657 1.00 0.00 C ATOM 240 C ALA A 35 -9.426 3.503 8.431 1.00 0.00 C ATOM 241 O ALA A 35 -10.373 3.711 7.674 1.00 0.00 O ATOM 242 CB ALA A 35 -9.536 3.418 10.952 1.00 0.00 C ATOM 0 H ALA A 35 -8.060 1.543 10.611 1.00 0.00 H new ATOM 0 HA ALA A 35 -10.540 2.098 9.574 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -10.328 4.167 10.933 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -9.682 2.756 11.806 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -8.570 3.915 11.040 1.00 0.00 H new ATOM 243 N ALA A 36 -8.214 4.025 8.231 1.00 0.00 N ATOM 244 CA ALA A 36 -7.933 4.981 7.175 1.00 0.00 C ATOM 245 C ALA A 36 -8.145 4.325 5.814 1.00 0.00 C ATOM 246 O ALA A 36 -8.774 4.915 4.941 1.00 0.00 O ATOM 247 CB ALA A 36 -6.509 5.507 7.344 1.00 0.00 C ATOM 0 H ALA A 36 -7.402 3.791 8.802 1.00 0.00 H new ATOM 0 HA ALA A 36 -8.616 5.828 7.237 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.291 6.226 6.554 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.414 5.994 8.314 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.805 4.677 7.284 1.00 0.00 H new ATOM 248 N ILE A 37 -7.696 3.077 5.667 1.00 0.00 N ATOM 249 CA ILE A 37 -7.963 2.294 4.473 1.00 0.00 C ATOM 250 C ILE A 37 -9.475 2.143 4.280 1.00 0.00 C ATOM 251 O ILE A 37 -9.991 2.482 3.220 1.00 0.00 O ATOM 252 CB ILE A 37 -7.168 0.969 4.537 1.00 0.00 C ATOM 253 CG1 ILE A 37 -6.034 0.887 3.507 1.00 0.00 C ATOM 254 CG2 ILE A 37 -7.987 -0.312 4.434 1.00 0.00 C ATOM 255 CD1 ILE A 37 -4.746 0.414 4.187 1.00 0.00 C ATOM 0 H ILE A 37 -7.142 2.589 6.371 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.611 2.801 3.575 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.763 1.017 5.548 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -6.307 0.199 2.707 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -5.876 1.863 3.048 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -7.323 -1.174 4.491 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -8.704 -0.352 5.254 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -8.521 -0.327 3.484 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.945 0.358 3.450 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -4.469 1.118 4.971 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -4.906 -0.571 4.624 1.00 0.00 H new ATOM 256 N GLU A 38 -10.208 1.669 5.288 1.00 0.00 N ATOM 257 CA GLU A 38 -11.633 1.427 5.164 1.00 0.00 C ATOM 258 C GLU A 38 -12.408 2.685 4.754 1.00 0.00 C ATOM 259 O GLU A 38 -13.347 2.578 3.967 1.00 0.00 O ATOM 260 CB GLU A 38 -12.145 0.740 6.438 1.00 0.00 C ATOM 261 CG GLU A 38 -11.534 -0.671 6.471 1.00 0.00 C ATOM 262 CD GLU A 38 -11.886 -1.493 7.698 1.00 0.00 C ATOM 263 OE1 GLU A 38 -11.810 -0.962 8.829 1.00 0.00 O ATOM 264 OE2 GLU A 38 -12.090 -2.719 7.555 1.00 0.00 O ATOM 0 H GLU A 38 -9.826 1.445 6.207 1.00 0.00 H new ATOM 0 HA GLU A 38 -11.816 0.739 4.338 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -11.855 1.306 7.323 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -13.234 0.688 6.436 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -11.860 -1.213 5.583 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -10.449 -0.583 6.410 1.00 0.00 H new ATOM 265 N GLN A 39 -12.016 3.874 5.228 1.00 0.00 N ATOM 266 CA GLN A 39 -12.562 5.112 4.704 1.00 0.00 C ATOM 267 C GLN A 39 -12.071 5.431 3.283 1.00 0.00 C ATOM 268 O GLN A 39 -12.882 5.600 2.374 1.00 0.00 O ATOM 269 CB GLN A 39 -12.244 6.262 5.666 1.00 0.00 C ATOM 270 CG GLN A 39 -12.734 6.031 7.102 1.00 0.00 C ATOM 271 CD GLN A 39 -14.138 5.447 7.192 1.00 0.00 C ATOM 272 OE1 GLN A 39 -14.358 4.427 7.837 1.00 0.00 O ATOM 273 NE2 GLN A 39 -15.110 6.079 6.542 1.00 0.00 N ATOM 0 H GLN A 39 -11.326 3.995 5.969 1.00 0.00 H new ATOM 0 HA GLN A 39 -13.642 4.987 4.627 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -11.166 6.420 5.682 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -12.695 7.177 5.283 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -12.040 5.360 7.608 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -12.711 6.979 7.640 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -14.903 6.926 6.012 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -16.063 5.717 6.573 1.00 0.00 H new ATOM 274 N PHE A 40 -10.761 5.617 3.103 1.00 0.00 N ATOM 275 CA PHE A 40 -10.210 6.313 1.942 1.00 0.00 C ATOM 276 C PHE A 40 -9.916 5.402 0.747 1.00 0.00 C ATOM 277 O PHE A 40 -9.804 5.884 -0.389 1.00 0.00 O ATOM 278 CB PHE A 40 -8.963 7.096 2.350 1.00 0.00 C ATOM 279 CG PHE A 40 -9.166 8.105 3.463 1.00 0.00 C ATOM 280 CD1 PHE A 40 -10.023 9.205 3.266 1.00 0.00 C ATOM 281 CD2 PHE A 40 -8.402 8.019 4.641 1.00 0.00 C ATOM 282 CE1 PHE A 40 -10.108 10.216 4.239 1.00 0.00 C ATOM 283 CE2 PHE A 40 -8.492 9.026 5.617 1.00 0.00 C ATOM 284 CZ PHE A 40 -9.335 10.131 5.411 1.00 0.00 C ATOM 0 H PHE A 40 -10.053 5.288 3.760 1.00 0.00 H new ATOM 0 HA PHE A 40 -10.984 6.998 1.597 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -8.195 6.388 2.660 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -8.580 7.619 1.474 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -10.616 9.272 2.366 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -7.744 7.176 4.796 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -10.767 11.058 4.087 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -7.913 8.951 6.526 1.00 0.00 H new ATOM 0 HZ PHE A 40 -9.389 10.915 6.152 1.00 0.00 H new ATOM 285 N LEU A 41 -9.780 4.092 0.955 1.00 0.00 N ATOM 286 CA LEU A 41 -9.711 3.136 -0.112 1.00 0.00 C ATOM 287 C LEU A 41 -11.062 3.008 -0.804 1.00 0.00 C ATOM 288 O LEU A 41 -11.865 2.147 -0.458 1.00 0.00 O ATOM 289 CB LEU A 41 -9.234 1.811 0.473 1.00 0.00 C ATOM 290 CG LEU A 41 -8.667 0.884 -0.595 1.00 0.00 C ATOM 291 CD1 LEU A 41 -7.551 1.595 -1.363 1.00 0.00 C ATOM 292 CD2 LEU A 41 -8.064 -0.271 0.183 1.00 0.00 C ATOM 0 H LEU A 41 -9.715 3.677 1.884 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.005 3.461 -0.876 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.472 2.002 1.228 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -10.065 1.317 0.977 1.00 0.00 H new ATOM 0 HG LEU A 41 -9.426 0.570 -1.311 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.150 0.926 -2.125 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.951 2.490 -1.840 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.756 1.876 -0.672 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.631 -0.991 -0.512 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.287 0.105 0.848 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -8.841 -0.758 0.772 1.00 0.00 H new ATOM 293 N ASP A 42 -11.268 3.857 -1.810 1.00 0.00 N ATOM 294 CA ASP A 42 -12.165 3.666 -2.947 1.00 0.00 C ATOM 295 C ASP A 42 -12.751 2.245 -3.050 1.00 0.00 C ATOM 296 O ASP A 42 -13.952 2.062 -2.863 1.00 0.00 O ATOM 297 CB ASP A 42 -11.411 4.084 -4.224 1.00 0.00 C ATOM 298 CG ASP A 42 -9.966 3.598 -4.245 1.00 0.00 C ATOM 299 OD1 ASP A 42 -9.762 2.384 -4.435 1.00 0.00 O ATOM 300 OD2 ASP A 42 -9.071 4.438 -3.986 1.00 0.00 O ATOM 0 H ASP A 42 -10.782 4.753 -1.855 1.00 0.00 H new ATOM 0 HA ASP A 42 -13.042 4.297 -2.805 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -11.935 3.689 -5.095 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -11.425 5.171 -4.309 1.00 0.00 H new ATOM 301 N GLY A 43 -11.925 1.241 -3.354 1.00 0.00 N ATOM 302 CA GLY A 43 -12.381 -0.118 -3.625 1.00 0.00 C ATOM 303 C GLY A 43 -12.704 -0.971 -2.388 1.00 0.00 C ATOM 304 O GLY A 43 -13.049 -2.141 -2.550 1.00 0.00 O ATOM 0 H GLY A 43 -10.913 1.353 -3.419 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -13.273 -0.065 -4.250 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.614 -0.630 -4.207 1.00 0.00 H new ATOM 305 N GLY A 44 -12.607 -0.433 -1.169 1.00 0.00 N ATOM 306 CA GLY A 44 -12.883 -1.148 0.072 1.00 0.00 C ATOM 307 C GLY A 44 -11.650 -1.895 0.591 1.00 0.00 C ATOM 308 O GLY A 44 -10.672 -2.074 -0.134 1.00 0.00 O ATOM 0 H GLY A 44 -12.327 0.536 -1.018 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -13.224 -0.442 0.829 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -13.694 -1.857 -0.091 1.00 0.00 H new ATOM 309 N PHE A 45 -11.679 -2.332 1.859 1.00 0.00 N ATOM 310 CA PHE A 45 -10.529 -2.995 2.474 1.00 0.00 C ATOM 311 C PHE A 45 -10.345 -4.418 1.933 1.00 0.00 C ATOM 312 O PHE A 45 -10.659 -5.402 2.607 1.00 0.00 O ATOM 313 CB PHE A 45 -10.551 -2.956 4.002 1.00 0.00 C ATOM 314 CG PHE A 45 -9.383 -3.648 4.690 1.00 0.00 C ATOM 315 CD1 PHE A 45 -8.075 -3.537 4.178 1.00 0.00 C ATOM 316 CD2 PHE A 45 -9.598 -4.377 5.876 1.00 0.00 C ATOM 317 CE1 PHE A 45 -6.985 -4.063 4.889 1.00 0.00 C ATOM 318 CE2 PHE A 45 -8.514 -4.974 6.546 1.00 0.00 C ATOM 319 CZ PHE A 45 -7.206 -4.792 6.066 1.00 0.00 C ATOM 0 H PHE A 45 -12.487 -2.236 2.474 1.00 0.00 H new ATOM 0 HA PHE A 45 -9.653 -2.416 2.182 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -10.573 -1.914 4.322 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -11.477 -3.415 4.347 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -7.910 -3.044 3.232 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -10.598 -4.478 6.272 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -5.978 -3.907 4.530 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -8.687 -5.572 7.429 1.00 0.00 H new ATOM 0 HZ PHE A 45 -6.370 -5.214 6.604 1.00 0.00 H new ATOM 320 N ASN A 46 -9.796 -4.532 0.726 1.00 0.00 N ATOM 321 CA ASN A 46 -9.503 -5.812 0.082 1.00 0.00 C ATOM 322 C ASN A 46 -8.215 -5.706 -0.722 1.00 0.00 C ATOM 323 O ASN A 46 -7.841 -4.627 -1.183 1.00 0.00 O ATOM 324 CB ASN A 46 -10.656 -6.299 -0.802 1.00 0.00 C ATOM 325 CG ASN A 46 -11.117 -5.238 -1.788 1.00 0.00 C ATOM 326 OD1 ASN A 46 -10.487 -5.038 -2.817 1.00 0.00 O ATOM 327 ND2 ASN A 46 -12.211 -4.553 -1.471 1.00 0.00 N ATOM 0 H ASN A 46 -9.538 -3.725 0.158 1.00 0.00 H new ATOM 0 HA ASN A 46 -9.377 -6.555 0.870 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -10.341 -7.187 -1.349 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -11.495 -6.594 -0.171 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -12.557 -3.826 -2.097 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -12.705 -4.754 -0.601 1.00 0.00 H new ATOM 328 N ILE A 47 -7.543 -6.849 -0.882 1.00 0.00 N ATOM 329 CA ILE A 47 -6.325 -6.987 -1.648 1.00 0.00 C ATOM 330 C ILE A 47 -6.509 -6.336 -3.018 1.00 0.00 C ATOM 331 O ILE A 47 -5.653 -5.574 -3.445 1.00 0.00 O ATOM 332 CB ILE A 47 -5.993 -8.487 -1.760 1.00 0.00 C ATOM 333 CG1 ILE A 47 -5.633 -9.129 -0.406 1.00 0.00 C ATOM 334 CG2 ILE A 47 -4.878 -8.728 -2.778 1.00 0.00 C ATOM 335 CD1 ILE A 47 -4.224 -8.786 0.084 1.00 0.00 C ATOM 0 H ILE A 47 -7.851 -7.727 -0.464 1.00 0.00 H new ATOM 0 HA ILE A 47 -5.492 -6.483 -1.158 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.904 -8.974 -2.108 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -6.357 -8.806 0.343 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.724 -10.212 -0.492 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.664 -9.795 -2.837 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.194 -8.367 -3.757 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.980 -8.194 -2.467 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -4.043 -9.273 1.042 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.491 -9.133 -0.644 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.133 -7.706 0.203 1.00 0.00 H new ATOM 336 N GLU A 48 -7.621 -6.628 -3.695 1.00 0.00 N ATOM 337 CA GLU A 48 -7.866 -6.165 -5.057 1.00 0.00 C ATOM 338 C GLU A 48 -7.663 -4.653 -5.151 1.00 0.00 C ATOM 339 O GLU A 48 -6.875 -4.150 -5.949 1.00 0.00 O ATOM 340 CB GLU A 48 -9.255 -6.579 -5.544 1.00 0.00 C ATOM 341 CG GLU A 48 -9.594 -8.001 -5.097 1.00 0.00 C ATOM 342 CD GLU A 48 -10.709 -8.607 -5.937 1.00 0.00 C ATOM 343 OE1 GLU A 48 -10.375 -9.131 -7.021 1.00 0.00 O ATOM 344 OE2 GLU A 48 -11.867 -8.531 -5.477 1.00 0.00 O ATOM 0 H GLU A 48 -8.378 -7.194 -3.311 1.00 0.00 H new ATOM 0 HA GLU A 48 -7.142 -6.643 -5.716 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -10.001 -5.885 -5.157 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -9.296 -6.517 -6.631 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -8.704 -8.626 -5.169 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -9.893 -7.991 -4.049 1.00 0.00 H new ATOM 345 N ALA A 49 -8.370 -3.948 -4.273 1.00 0.00 N ATOM 346 CA ALA A 49 -8.310 -2.504 -4.133 1.00 0.00 C ATOM 347 C ALA A 49 -6.887 -2.035 -3.830 1.00 0.00 C ATOM 348 O ALA A 49 -6.386 -1.132 -4.496 1.00 0.00 O ATOM 349 CB ALA A 49 -9.286 -2.050 -3.049 1.00 0.00 C ATOM 0 H ALA A 49 -9.021 -4.384 -3.620 1.00 0.00 H new ATOM 0 HA ALA A 49 -8.602 -2.049 -5.079 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -9.238 -0.966 -2.947 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -10.299 -2.344 -3.325 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -9.019 -2.516 -2.100 1.00 0.00 H new ATOM 350 N ILE A 50 -6.218 -2.638 -2.837 1.00 0.00 N ATOM 351 CA ILE A 50 -4.838 -2.303 -2.524 1.00 0.00 C ATOM 352 C ILE A 50 -3.980 -2.408 -3.789 1.00 0.00 C ATOM 353 O ILE A 50 -3.363 -1.426 -4.200 1.00 0.00 O ATOM 354 CB ILE A 50 -4.317 -3.214 -1.395 1.00 0.00 C ATOM 355 CG1 ILE A 50 -5.062 -3.050 -0.059 1.00 0.00 C ATOM 356 CG2 ILE A 50 -2.822 -2.994 -1.182 1.00 0.00 C ATOM 357 CD1 ILE A 50 -4.907 -1.679 0.596 1.00 0.00 C ATOM 0 H ILE A 50 -6.619 -3.361 -2.240 1.00 0.00 H new ATOM 0 HA ILE A 50 -4.779 -1.275 -2.168 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.508 -4.234 -1.729 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -6.122 -3.240 -0.225 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -4.706 -3.811 0.635 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.469 -3.644 -0.382 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.285 -3.226 -2.102 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -2.642 -1.954 -0.910 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -5.466 -1.657 1.531 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -3.853 -1.490 0.799 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.291 -0.910 -0.074 1.00 0.00 H new ATOM 358 N VAL A 51 -3.941 -3.592 -4.405 1.00 0.00 N ATOM 359 CA VAL A 51 -3.156 -3.862 -5.589 1.00 0.00 C ATOM 360 C VAL A 51 -3.449 -2.781 -6.634 1.00 0.00 C ATOM 361 O VAL A 51 -2.537 -2.098 -7.090 1.00 0.00 O ATOM 362 CB VAL A 51 -3.484 -5.280 -6.098 1.00 0.00 C ATOM 363 CG1 VAL A 51 -2.693 -5.551 -7.367 1.00 0.00 C ATOM 364 CG2 VAL A 51 -3.083 -6.395 -5.123 1.00 0.00 C ATOM 0 H VAL A 51 -4.470 -4.401 -4.079 1.00 0.00 H new ATOM 0 HA VAL A 51 -2.088 -3.831 -5.371 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.565 -5.296 -6.240 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -2.921 -6.553 -7.731 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.963 -4.818 -8.127 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.627 -5.477 -7.154 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.345 -7.363 -5.550 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.008 -6.355 -4.947 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.611 -6.260 -4.179 1.00 0.00 H new ATOM 365 N TYR A 52 -4.729 -2.585 -6.958 1.00 0.00 N ATOM 366 CA TYR A 52 -5.176 -1.563 -7.893 1.00 0.00 C ATOM 367 C TYR A 52 -4.602 -0.184 -7.541 1.00 0.00 C ATOM 368 O TYR A 52 -4.138 0.540 -8.426 1.00 0.00 O ATOM 369 CB TYR A 52 -6.709 -1.546 -7.927 1.00 0.00 C ATOM 370 CG TYR A 52 -7.288 -0.542 -8.900 1.00 0.00 C ATOM 371 CD1 TYR A 52 -7.390 -0.870 -10.263 1.00 0.00 C ATOM 372 CD2 TYR A 52 -7.637 0.749 -8.460 1.00 0.00 C ATOM 373 CE1 TYR A 52 -7.808 0.100 -11.191 1.00 0.00 C ATOM 374 CE2 TYR A 52 -8.040 1.721 -9.390 1.00 0.00 C ATOM 375 CZ TYR A 52 -8.101 1.403 -10.757 1.00 0.00 C ATOM 376 OH TYR A 52 -8.432 2.368 -11.661 1.00 0.00 O ATOM 0 H TYR A 52 -5.491 -3.142 -6.570 1.00 0.00 H new ATOM 0 HA TYR A 52 -4.803 -1.806 -8.888 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -7.068 -2.541 -8.190 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -7.083 -1.326 -6.927 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -7.147 -1.868 -10.598 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -7.595 0.992 -7.408 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -7.904 -0.157 -12.236 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -8.303 2.713 -9.054 1.00 0.00 H new ATOM 0 HH TYR A 52 -8.605 3.211 -11.191 1.00 0.00 H new ATOM 377 N GLN A 53 -4.627 0.185 -6.255 1.00 0.00 N ATOM 378 CA GLN A 53 -4.113 1.461 -5.780 1.00 0.00 C ATOM 379 C GLN A 53 -2.631 1.570 -6.152 1.00 0.00 C ATOM 380 O GLN A 53 -2.215 2.524 -6.806 1.00 0.00 O ATOM 381 CB GLN A 53 -4.328 1.578 -4.258 1.00 0.00 C ATOM 382 CG GLN A 53 -4.286 3.031 -3.766 1.00 0.00 C ATOM 383 CD GLN A 53 -5.673 3.658 -3.593 1.00 0.00 C ATOM 384 OE1 GLN A 53 -5.884 4.477 -2.697 1.00 0.00 O ATOM 385 NE2 GLN A 53 -6.639 3.288 -4.427 1.00 0.00 N ATOM 0 H GLN A 53 -5.009 -0.403 -5.514 1.00 0.00 H new ATOM 0 HA GLN A 53 -4.649 2.285 -6.252 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -5.290 1.137 -3.996 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.561 1.001 -3.741 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -3.758 3.069 -2.813 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -3.711 3.629 -4.473 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -6.445 2.609 -5.163 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -7.574 3.683 -4.332 1.00 0.00 H new ATOM 386 N ILE A 54 -1.846 0.569 -5.745 1.00 0.00 N ATOM 387 CA ILE A 54 -0.417 0.480 -6.027 1.00 0.00 C ATOM 388 C ILE A 54 -0.147 0.534 -7.533 1.00 0.00 C ATOM 389 O ILE A 54 0.683 1.326 -7.974 1.00 0.00 O ATOM 390 CB ILE A 54 0.185 -0.771 -5.351 1.00 0.00 C ATOM 391 CG1 ILE A 54 0.511 -0.525 -3.866 1.00 0.00 C ATOM 392 CG2 ILE A 54 1.499 -1.221 -6.005 1.00 0.00 C ATOM 393 CD1 ILE A 54 -0.722 -0.604 -2.974 1.00 0.00 C ATOM 0 H ILE A 54 -2.197 -0.218 -5.199 1.00 0.00 H new ATOM 0 HA ILE A 54 0.085 1.347 -5.598 1.00 0.00 H new ATOM 0 HB ILE A 54 -0.582 -1.537 -5.465 1.00 0.00 H new ATOM 0 HG12 ILE A 54 1.244 -1.260 -3.532 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.971 0.457 -3.757 1.00 0.00 H new ATOM 0 HG21 ILE A 54 1.878 -2.104 -5.490 1.00 0.00 H new ATOM 0 HG22 ILE A 54 1.320 -1.461 -7.053 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.233 -0.418 -5.937 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.434 -0.423 -1.938 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.446 0.149 -3.286 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.169 -1.594 -3.058 1.00 0.00 H new ATOM 394 N GLU A 55 -0.829 -0.293 -8.328 1.00 0.00 N ATOM 395 CA GLU A 55 -0.699 -0.291 -9.766 1.00 0.00 C ATOM 396 C GLU A 55 -0.871 1.133 -10.293 1.00 0.00 C ATOM 397 O GLU A 55 0.067 1.714 -10.838 1.00 0.00 O ATOM 398 CB GLU A 55 -1.789 -1.184 -10.349 1.00 0.00 C ATOM 399 CG GLU A 55 -1.583 -2.695 -10.254 1.00 0.00 C ATOM 400 CD GLU A 55 -2.832 -3.432 -10.742 1.00 0.00 C ATOM 401 OE1 GLU A 55 -3.805 -2.739 -11.126 1.00 0.00 O ATOM 402 OE2 GLU A 55 -2.794 -4.680 -10.714 1.00 0.00 O ATOM 0 H GLU A 55 -1.491 -0.985 -7.977 1.00 0.00 H new ATOM 0 HA GLU A 55 0.285 -0.661 -10.054 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.727 -0.940 -9.851 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.910 -0.926 -11.401 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.721 -2.990 -10.853 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -1.366 -2.975 -9.223 1.00 0.00 H new ATOM 403 N ASN A 56 -2.081 1.673 -10.140 1.00 0.00 N ATOM 404 CA ASN A 56 -2.564 2.788 -10.938 1.00 0.00 C ATOM 405 C ASN A 56 -2.139 4.130 -10.355 1.00 0.00 C ATOM 406 O ASN A 56 -1.983 5.095 -11.099 1.00 0.00 O ATOM 407 CB ASN A 56 -4.092 2.691 -11.067 1.00 0.00 C ATOM 408 CG ASN A 56 -4.520 1.458 -11.860 1.00 0.00 C ATOM 409 OD1 ASN A 56 -4.761 1.534 -13.061 1.00 0.00 O ATOM 410 ND2 ASN A 56 -4.612 0.316 -11.189 1.00 0.00 N ATOM 0 H ASN A 56 -2.756 1.341 -9.451 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.116 2.729 -11.930 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -4.539 2.656 -10.073 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -4.473 3.587 -11.557 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -4.891 -0.538 -11.672 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -4.403 0.293 -10.191 1.00 0.00 H new ATOM 411 N GLY A 57 -1.961 4.201 -9.034 1.00 0.00 N ATOM 412 CA GLY A 57 -1.771 5.456 -8.327 1.00 0.00 C ATOM 413 C GLY A 57 -3.100 6.197 -8.219 1.00 0.00 C ATOM 414 O GLY A 57 -3.929 6.162 -9.127 1.00 0.00 O ATOM 0 H GLY A 57 -1.946 3.381 -8.427 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.369 5.266 -7.332 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -1.042 6.073 -8.853 1.00 0.00 H new ATOM 415 N LYS A 58 -3.334 6.826 -7.069 1.00 0.00 N ATOM 416 CA LYS A 58 -4.611 7.407 -6.707 1.00 0.00 C ATOM 417 C LYS A 58 -4.321 8.759 -6.056 1.00 0.00 C ATOM 418 O LYS A 58 -3.367 8.886 -5.291 1.00 0.00 O ATOM 419 CB LYS A 58 -5.316 6.372 -5.815 1.00 0.00 C ATOM 420 CG LYS A 58 -6.629 6.809 -5.152 1.00 0.00 C ATOM 421 CD LYS A 58 -6.335 7.491 -3.811 1.00 0.00 C ATOM 422 CE LYS A 58 -7.533 7.517 -2.844 1.00 0.00 C ATOM 423 NZ LYS A 58 -7.924 6.169 -2.370 1.00 0.00 N ATOM 0 H LYS A 58 -2.620 6.945 -6.351 1.00 0.00 H new ATOM 0 HA LYS A 58 -5.284 7.615 -7.538 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.518 5.486 -6.417 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.622 6.072 -5.030 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -7.167 7.493 -5.808 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -7.273 5.944 -4.996 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -5.503 6.977 -3.329 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -6.011 8.515 -3.999 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -7.286 8.141 -1.985 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -8.384 7.982 -3.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -8.422 6.252 -1.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -8.551 5.723 -3.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -7.073 5.584 -2.246 1.00 0.00 H new ATOM 424 N GLY A 59 -5.110 9.781 -6.396 1.00 0.00 N ATOM 425 CA GLY A 59 -4.905 11.139 -5.914 1.00 0.00 C ATOM 426 C GLY A 59 -3.473 11.613 -6.172 1.00 0.00 C ATOM 427 O GLY A 59 -3.079 11.762 -7.327 1.00 0.00 O ATOM 0 H GLY A 59 -5.913 9.684 -7.018 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.607 11.812 -6.407 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -5.118 11.184 -4.846 1.00 0.00 H new ATOM 428 N ALA A 60 -2.699 11.856 -5.110 1.00 0.00 N ATOM 429 CA ALA A 60 -1.344 12.390 -5.204 1.00 0.00 C ATOM 430 C ALA A 60 -0.273 11.291 -5.212 1.00 0.00 C ATOM 431 O ALA A 60 0.916 11.607 -5.201 1.00 0.00 O ATOM 432 CB ALA A 60 -1.120 13.383 -4.058 1.00 0.00 C ATOM 0 H ALA A 60 -3.003 11.684 -4.151 1.00 0.00 H new ATOM 0 HA ALA A 60 -1.244 12.904 -6.160 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -0.110 13.788 -4.120 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.842 14.196 -4.135 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.249 12.872 -3.104 1.00 0.00 H new ATOM 433 N MET A 61 -0.656 10.010 -5.217 1.00 0.00 N ATOM 434 CA MET A 61 0.296 8.907 -5.172 1.00 0.00 C ATOM 435 C MET A 61 0.711 8.471 -6.582 1.00 0.00 C ATOM 436 O MET A 61 -0.157 8.275 -7.432 1.00 0.00 O ATOM 437 CB MET A 61 -0.346 7.755 -4.405 1.00 0.00 C ATOM 438 CG MET A 61 0.390 6.424 -4.537 1.00 0.00 C ATOM 439 SD MET A 61 -0.106 5.224 -3.291 1.00 0.00 S ATOM 440 CE MET A 61 0.123 3.649 -4.140 1.00 0.00 C ATOM 0 H MET A 61 -1.632 9.714 -5.252 1.00 0.00 H new ATOM 0 HA MET A 61 1.206 9.227 -4.665 1.00 0.00 H new ATOM 0 HB2 MET A 61 -0.401 8.023 -3.350 1.00 0.00 H new ATOM 0 HB3 MET A 61 -1.370 7.627 -4.756 1.00 0.00 H new ATOM 0 HG2 MET A 61 0.205 6.009 -5.528 1.00 0.00 H new ATOM 0 HG3 MET A 61 1.463 6.599 -4.459 1.00 0.00 H new ATOM 0 HE1 MET A 61 -0.151 2.832 -3.472 1.00 0.00 H new ATOM 0 HE2 MET A 61 -0.509 3.619 -5.028 1.00 0.00 H new ATOM 0 HE3 MET A 61 1.167 3.543 -4.434 1.00 0.00 H new ATOM 441 N PRO A 62 2.016 8.273 -6.846 1.00 0.00 N ATOM 442 CA PRO A 62 2.489 7.794 -8.134 1.00 0.00 C ATOM 443 C PRO A 62 2.128 6.321 -8.349 1.00 0.00 C ATOM 444 O PRO A 62 2.099 5.530 -7.406 1.00 0.00 O ATOM 445 CB PRO A 62 4.008 7.994 -8.112 1.00 0.00 C ATOM 446 CG PRO A 62 4.352 7.873 -6.630 1.00 0.00 C ATOM 447 CD PRO A 62 3.142 8.519 -5.956 1.00 0.00 C ATOM 0 HA PRO A 62 2.023 8.337 -8.957 1.00 0.00 H new ATOM 0 HB2 PRO A 62 4.522 7.240 -8.708 1.00 0.00 H new ATOM 0 HB3 PRO A 62 4.292 8.967 -8.514 1.00 0.00 H new ATOM 0 HG2 PRO A 62 4.479 6.834 -6.326 1.00 0.00 H new ATOM 0 HG3 PRO A 62 5.278 8.392 -6.385 1.00 0.00 H new ATOM 0 HD2 PRO A 62 2.965 8.086 -4.972 1.00 0.00 H new ATOM 0 HD3 PRO A 62 3.299 9.588 -5.810 1.00 0.00 H new ATOM 448 N ALA A 63 1.891 5.963 -9.612 1.00 0.00 N ATOM 449 CA ALA A 63 1.620 4.604 -10.059 1.00 0.00 C ATOM 450 C ALA A 63 2.848 3.712 -9.873 1.00 0.00 C ATOM 451 O ALA A 63 3.980 4.209 -9.885 1.00 0.00 O ATOM 452 CB ALA A 63 1.249 4.671 -11.545 1.00 0.00 C ATOM 0 H ALA A 63 1.883 6.639 -10.376 1.00 0.00 H new ATOM 0 HA ALA A 63 0.808 4.176 -9.471 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.039 3.667 -11.913 1.00 0.00 H new ATOM 0 HB2 ALA A 63 0.365 5.296 -11.671 1.00 0.00 H new ATOM 0 HB3 ALA A 63 2.079 5.098 -12.108 1.00 0.00 H new ATOM 453 N TRP A 64 2.641 2.398 -9.739 1.00 0.00 N ATOM 454 CA TRP A 64 3.715 1.415 -9.702 1.00 0.00 C ATOM 455 C TRP A 64 3.569 0.366 -10.800 1.00 0.00 C ATOM 456 O TRP A 64 4.453 -0.486 -10.946 1.00 0.00 O ATOM 457 CB TRP A 64 3.843 0.825 -8.302 1.00 0.00 C ATOM 458 CG TRP A 64 4.231 1.841 -7.276 1.00 0.00 C ATOM 459 CD1 TRP A 64 3.409 2.672 -6.594 1.00 0.00 C ATOM 460 CD2 TRP A 64 5.579 2.232 -6.912 1.00 0.00 C ATOM 461 NE1 TRP A 64 4.162 3.510 -5.796 1.00 0.00 N ATOM 462 CE2 TRP A 64 5.514 3.282 -5.955 1.00 0.00 C ATOM 463 CE3 TRP A 64 6.855 1.824 -7.341 1.00 0.00 C ATOM 464 CZ2 TRP A 64 6.670 3.866 -5.415 1.00 0.00 C ATOM 465 CZ3 TRP A 64 8.020 2.398 -6.807 1.00 0.00 C ATOM 466 CH2 TRP A 64 7.930 3.403 -5.828 1.00 0.00 C ATOM 0 H TRP A 64 1.711 1.988 -9.653 1.00 0.00 H new ATOM 0 HA TRP A 64 4.657 1.918 -9.920 1.00 0.00 H new ATOM 0 HB2 TRP A 64 2.894 0.371 -8.016 1.00 0.00 H new ATOM 0 HB3 TRP A 64 4.586 0.028 -8.316 1.00 0.00 H new ATOM 0 HD1 TRP A 64 2.331 2.679 -6.663 1.00 0.00 H new ATOM 0 HE1 TRP A 64 3.768 4.210 -5.167 1.00 0.00 H new ATOM 0 HE3 TRP A 64 6.940 1.055 -8.095 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 6.592 4.663 -4.690 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 8.989 2.066 -7.150 1.00 0.00 H new ATOM 0 HH2 TRP A 64 8.828 3.818 -5.394 1.00 0.00 H new ATOM 467 N ASP A 65 2.510 0.469 -11.616 1.00 0.00 N ATOM 468 CA ASP A 65 2.388 -0.312 -12.821 1.00 0.00 C ATOM 469 C ASP A 65 3.677 -0.202 -13.633 1.00 0.00 C ATOM 470 O ASP A 65 4.313 0.852 -13.685 1.00 0.00 O ATOM 471 CB ASP A 65 1.180 0.123 -13.655 1.00 0.00 C ATOM 472 CG ASP A 65 1.122 -0.668 -14.957 1.00 0.00 C ATOM 473 OD1 ASP A 65 1.567 -1.838 -14.925 1.00 0.00 O ATOM 474 OD2 ASP A 65 0.677 -0.077 -15.962 1.00 0.00 O ATOM 0 H ASP A 65 1.725 1.098 -11.446 1.00 0.00 H new ATOM 0 HA ASP A 65 2.226 -1.353 -12.542 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.263 -0.032 -13.087 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.245 1.189 -13.872 1.00 0.00 H new ATOM 475 N GLY A 66 4.096 -1.333 -14.180 1.00 0.00 N ATOM 476 CA GLY A 66 5.328 -1.507 -14.935 1.00 0.00 C ATOM 477 C GLY A 66 6.627 -1.219 -14.164 1.00 0.00 C ATOM 478 O GLY A 66 7.700 -1.490 -14.698 1.00 0.00 O ATOM 0 H GLY A 66 3.559 -2.197 -14.106 1.00 0.00 H new ATOM 0 HA2 GLY A 66 5.365 -2.532 -15.304 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.293 -0.855 -15.808 1.00 0.00 H new ATOM 479 N ARG A 67 6.575 -0.665 -12.945 1.00 0.00 N ATOM 480 CA ARG A 67 7.766 -0.332 -12.169 1.00 0.00 C ATOM 481 C ARG A 67 8.148 -1.510 -11.275 1.00 0.00 C ATOM 482 O ARG A 67 9.331 -1.815 -11.149 1.00 0.00 O ATOM 483 CB ARG A 67 7.536 0.941 -11.343 1.00 0.00 C ATOM 484 CG ARG A 67 7.354 2.168 -12.250 1.00 0.00 C ATOM 485 CD ARG A 67 6.918 3.404 -11.454 1.00 0.00 C ATOM 486 NE ARG A 67 7.922 3.821 -10.466 1.00 0.00 N ATOM 487 CZ ARG A 67 7.673 4.513 -9.339 1.00 0.00 C ATOM 488 NH1 ARG A 67 6.423 4.812 -8.963 1.00 0.00 N ATOM 489 NH2 ARG A 67 8.699 4.914 -8.581 1.00 0.00 N ATOM 0 H ARG A 67 5.700 -0.436 -12.472 1.00 0.00 H new ATOM 0 HA ARG A 67 8.592 -0.136 -12.852 1.00 0.00 H new ATOM 0 HB2 ARG A 67 6.654 0.816 -10.715 1.00 0.00 H new ATOM 0 HB3 ARG A 67 8.382 1.102 -10.675 1.00 0.00 H new ATOM 0 HG2 ARG A 67 8.290 2.380 -12.767 1.00 0.00 H new ATOM 0 HG3 ARG A 67 6.610 1.947 -13.015 1.00 0.00 H new ATOM 0 HD2 ARG A 67 6.727 4.227 -12.143 1.00 0.00 H new ATOM 0 HD3 ARG A 67 5.978 3.191 -10.944 1.00 0.00 H new ATOM 0 HE ARG A 67 8.892 3.564 -10.650 1.00 0.00 H new ATOM 0 HH11 ARG A 67 5.633 4.514 -9.535 1.00 0.00 H new ATOM 0 HH12 ARG A 67 6.261 5.338 -8.104 1.00 0.00 H new ATOM 0 HH21 ARG A 67 9.655 4.695 -8.860 1.00 0.00 H new ATOM 0 HH22 ARG A 67 8.525 5.439 -7.724 1.00 0.00 H new ATOM 490 N LEU A 68 7.152 -2.148 -10.653 1.00 0.00 N ATOM 491 CA LEU A 68 7.337 -3.361 -9.860 1.00 0.00 C ATOM 492 C LEU A 68 6.834 -4.567 -10.665 1.00 0.00 C ATOM 493 O LEU A 68 5.984 -4.400 -11.542 1.00 0.00 O ATOM 494 CB LEU A 68 6.576 -3.227 -8.533 1.00 0.00 C ATOM 495 CG LEU A 68 6.969 -2.009 -7.682 1.00 0.00 C ATOM 496 CD1 LEU A 68 6.070 -1.947 -6.443 1.00 0.00 C ATOM 497 CD2 LEU A 68 8.432 -2.015 -7.226 1.00 0.00 C ATOM 0 H LEU A 68 6.183 -1.830 -10.688 1.00 0.00 H new ATOM 0 HA LEU A 68 8.393 -3.507 -9.634 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.509 -3.173 -8.747 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.738 -4.130 -7.945 1.00 0.00 H new ATOM 0 HG LEU A 68 6.839 -1.135 -8.321 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.345 -1.084 -5.836 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.029 -1.855 -6.753 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.195 -2.857 -5.857 1.00 0.00 H new ATOM 0 HD21 LEU A 68 8.631 -1.124 -6.631 1.00 0.00 H new ATOM 0 HD22 LEU A 68 8.622 -2.903 -6.624 1.00 0.00 H new ATOM 0 HD23 LEU A 68 9.085 -2.022 -8.099 1.00 0.00 H new ATOM 498 N ASP A 69 7.346 -5.769 -10.379 1.00 0.00 N ATOM 499 CA ASP A 69 6.879 -7.012 -11.002 1.00 0.00 C ATOM 500 C ASP A 69 5.525 -7.426 -10.422 1.00 0.00 C ATOM 501 O ASP A 69 5.051 -6.872 -9.437 1.00 0.00 O ATOM 502 CB ASP A 69 7.927 -8.123 -10.829 1.00 0.00 C ATOM 503 CG ASP A 69 7.689 -9.386 -11.643 1.00 0.00 C ATOM 504 OD1 ASP A 69 6.845 -10.188 -11.184 1.00 0.00 O ATOM 505 OD2 ASP A 69 8.313 -9.506 -12.718 1.00 0.00 O ATOM 0 H ASP A 69 8.100 -5.907 -9.706 1.00 0.00 H new ATOM 0 HA ASP A 69 6.745 -6.842 -12.070 1.00 0.00 H new ATOM 0 HB2 ASP A 69 8.904 -7.720 -11.095 1.00 0.00 H new ATOM 0 HB3 ASP A 69 7.971 -8.395 -9.774 1.00 0.00 H new ATOM 506 N GLU A 70 4.919 -8.437 -11.022 1.00 0.00 N ATOM 507 CA GLU A 70 3.626 -8.985 -10.641 1.00 0.00 C ATOM 508 C GLU A 70 3.702 -9.527 -9.211 1.00 0.00 C ATOM 509 O GLU A 70 2.894 -9.171 -8.350 1.00 0.00 O ATOM 510 CB GLU A 70 3.239 -10.073 -11.655 1.00 0.00 C ATOM 511 CG GLU A 70 1.806 -10.586 -11.460 1.00 0.00 C ATOM 512 CD GLU A 70 1.454 -11.667 -12.477 1.00 0.00 C ATOM 513 OE1 GLU A 70 1.510 -11.351 -13.685 1.00 0.00 O ATOM 514 OE2 GLU A 70 1.132 -12.789 -12.030 1.00 0.00 O ATOM 0 H GLU A 70 5.331 -8.919 -11.821 1.00 0.00 H new ATOM 0 HA GLU A 70 2.855 -8.215 -10.655 1.00 0.00 H new ATOM 0 HB2 GLU A 70 3.343 -9.676 -12.665 1.00 0.00 H new ATOM 0 HB3 GLU A 70 3.934 -10.908 -11.568 1.00 0.00 H new ATOM 0 HG2 GLU A 70 1.696 -10.984 -10.451 1.00 0.00 H new ATOM 0 HG3 GLU A 70 1.106 -9.756 -11.553 1.00 0.00 H new ATOM 515 N ASP A 71 4.694 -10.386 -8.956 1.00 0.00 N ATOM 516 CA ASP A 71 4.837 -11.051 -7.663 1.00 0.00 C ATOM 517 C ASP A 71 5.102 -9.993 -6.591 1.00 0.00 C ATOM 518 O ASP A 71 4.461 -9.932 -5.544 1.00 0.00 O ATOM 519 CB ASP A 71 5.979 -12.079 -7.742 1.00 0.00 C ATOM 520 CG ASP A 71 6.017 -13.021 -6.546 1.00 0.00 C ATOM 521 OD1 ASP A 71 5.202 -12.892 -5.615 1.00 0.00 O ATOM 522 OD2 ASP A 71 6.830 -13.967 -6.527 1.00 0.00 O ATOM 0 H ASP A 71 5.413 -10.636 -9.635 1.00 0.00 H new ATOM 0 HA ASP A 71 3.924 -11.586 -7.400 1.00 0.00 H new ATOM 0 HB2 ASP A 71 5.871 -12.664 -8.655 1.00 0.00 H new ATOM 0 HB3 ASP A 71 6.930 -11.552 -7.812 1.00 0.00 H new ATOM 523 N GLU A 72 6.036 -9.104 -6.919 1.00 0.00 N ATOM 524 CA GLU A 72 6.429 -7.953 -6.142 1.00 0.00 C ATOM 525 C GLU A 72 5.205 -7.122 -5.719 1.00 0.00 C ATOM 526 O GLU A 72 4.920 -6.995 -4.527 1.00 0.00 O ATOM 527 CB GLU A 72 7.424 -7.196 -7.025 1.00 0.00 C ATOM 528 CG GLU A 72 8.161 -6.125 -6.265 1.00 0.00 C ATOM 529 CD GLU A 72 9.254 -5.472 -7.098 1.00 0.00 C ATOM 530 OE1 GLU A 72 9.110 -5.501 -8.339 1.00 0.00 O ATOM 531 OE2 GLU A 72 10.209 -4.961 -6.476 1.00 0.00 O ATOM 0 H GLU A 72 6.565 -9.181 -7.788 1.00 0.00 H new ATOM 0 HA GLU A 72 6.899 -8.220 -5.196 1.00 0.00 H new ATOM 0 HB2 GLU A 72 8.142 -7.900 -7.445 1.00 0.00 H new ATOM 0 HB3 GLU A 72 6.893 -6.744 -7.863 1.00 0.00 H new ATOM 0 HG2 GLU A 72 7.453 -5.363 -5.937 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.602 -6.558 -5.367 1.00 0.00 H new ATOM 532 N ILE A 73 4.463 -6.593 -6.698 1.00 0.00 N ATOM 533 CA ILE A 73 3.194 -5.882 -6.504 1.00 0.00 C ATOM 534 C ILE A 73 2.300 -6.674 -5.544 1.00 0.00 C ATOM 535 O ILE A 73 1.840 -6.161 -4.522 1.00 0.00 O ATOM 536 CB ILE A 73 2.475 -5.684 -7.858 1.00 0.00 C ATOM 537 CG1 ILE A 73 3.199 -4.718 -8.806 1.00 0.00 C ATOM 538 CG2 ILE A 73 1.021 -5.239 -7.684 1.00 0.00 C ATOM 539 CD1 ILE A 73 2.840 -3.235 -8.658 1.00 0.00 C ATOM 0 H ILE A 73 4.738 -6.650 -7.679 1.00 0.00 H new ATOM 0 HA ILE A 73 3.400 -4.901 -6.075 1.00 0.00 H new ATOM 0 HB ILE A 73 2.491 -6.670 -8.321 1.00 0.00 H new ATOM 0 HG12 ILE A 73 4.273 -4.828 -8.654 1.00 0.00 H new ATOM 0 HG13 ILE A 73 2.989 -5.021 -9.832 1.00 0.00 H new ATOM 0 HG21 ILE A 73 0.559 -5.113 -8.663 1.00 0.00 H new ATOM 0 HG22 ILE A 73 0.474 -5.994 -7.119 1.00 0.00 H new ATOM 0 HG23 ILE A 73 0.992 -4.292 -7.145 1.00 0.00 H new ATOM 0 HD11 ILE A 73 3.412 -2.649 -9.377 1.00 0.00 H new ATOM 0 HD12 ILE A 73 1.775 -3.098 -8.843 1.00 0.00 H new ATOM 0 HD13 ILE A 73 3.078 -2.902 -7.648 1.00 0.00 H new ATOM 540 N ALA A 74 2.034 -7.935 -5.884 1.00 0.00 N ATOM 541 CA ALA A 74 1.169 -8.779 -5.073 1.00 0.00 C ATOM 542 C ALA A 74 1.678 -8.886 -3.630 1.00 0.00 C ATOM 543 O ALA A 74 0.882 -8.885 -2.690 1.00 0.00 O ATOM 544 CB ALA A 74 1.022 -10.156 -5.725 1.00 0.00 C ATOM 0 H ALA A 74 2.407 -8.391 -6.717 1.00 0.00 H new ATOM 0 HA ALA A 74 0.183 -8.317 -5.023 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.373 -10.781 -5.112 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.586 -10.044 -6.718 1.00 0.00 H new ATOM 0 HB3 ALA A 74 2.002 -10.625 -5.811 1.00 0.00 H new ATOM 545 N GLY A 75 2.999 -8.957 -3.444 1.00 0.00 N ATOM 546 CA GLY A 75 3.608 -9.139 -2.143 1.00 0.00 C ATOM 547 C GLY A 75 3.426 -7.871 -1.333 1.00 0.00 C ATOM 548 O GLY A 75 2.995 -7.919 -0.184 1.00 0.00 O ATOM 0 H GLY A 75 3.674 -8.888 -4.206 1.00 0.00 H new ATOM 0 HA2 GLY A 75 3.151 -9.984 -1.628 1.00 0.00 H new ATOM 0 HA3 GLY A 75 4.668 -9.368 -2.252 1.00 0.00 H new ATOM 549 N VAL A 76 3.737 -6.722 -1.934 1.00 0.00 N ATOM 550 CA VAL A 76 3.614 -5.449 -1.247 1.00 0.00 C ATOM 551 C VAL A 76 2.153 -5.202 -0.861 1.00 0.00 C ATOM 552 O VAL A 76 1.876 -4.803 0.272 1.00 0.00 O ATOM 553 CB VAL A 76 4.292 -4.331 -2.058 1.00 0.00 C ATOM 554 CG1 VAL A 76 3.384 -3.564 -3.022 1.00 0.00 C ATOM 555 CG2 VAL A 76 4.878 -3.282 -1.104 1.00 0.00 C ATOM 0 H VAL A 76 4.075 -6.653 -2.894 1.00 0.00 H new ATOM 0 HA VAL A 76 4.156 -5.463 -0.301 1.00 0.00 H new ATOM 0 HB VAL A 76 5.039 -4.856 -2.653 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.965 -2.801 -3.540 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.961 -4.255 -3.751 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.578 -3.089 -2.463 1.00 0.00 H new ATOM 0 HG21 VAL A 76 5.357 -2.492 -1.682 1.00 0.00 H new ATOM 0 HG22 VAL A 76 4.079 -2.855 -0.498 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.615 -3.753 -0.453 1.00 0.00 H new ATOM 556 N ALA A 77 1.211 -5.492 -1.769 1.00 0.00 N ATOM 557 CA ALA A 77 -0.200 -5.425 -1.433 1.00 0.00 C ATOM 558 C ALA A 77 -0.531 -6.326 -0.241 1.00 0.00 C ATOM 559 O ALA A 77 -1.061 -5.848 0.761 1.00 0.00 O ATOM 560 CB ALA A 77 -1.041 -5.788 -2.651 1.00 0.00 C ATOM 0 H ALA A 77 1.407 -5.772 -2.730 1.00 0.00 H new ATOM 0 HA ALA A 77 -0.438 -4.403 -1.138 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.098 -5.736 -2.392 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.831 -5.088 -3.460 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.796 -6.800 -2.974 1.00 0.00 H new ATOM 561 N ALA A 78 -0.221 -7.623 -0.338 1.00 0.00 N ATOM 562 CA ALA A 78 -0.436 -8.575 0.747 1.00 0.00 C ATOM 563 C ALA A 78 0.147 -8.078 2.076 1.00 0.00 C ATOM 564 O ALA A 78 -0.520 -8.136 3.106 1.00 0.00 O ATOM 565 CB ALA A 78 0.137 -9.942 0.363 1.00 0.00 C ATOM 0 H ALA A 78 0.187 -8.039 -1.175 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.511 -8.675 0.899 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -0.027 -10.647 1.178 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.360 -10.305 -0.537 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.206 -9.848 0.174 1.00 0.00 H new ATOM 566 N TYR A 79 1.383 -7.578 2.064 1.00 0.00 N ATOM 567 CA TYR A 79 2.052 -7.066 3.252 1.00 0.00 C ATOM 568 C TYR A 79 1.282 -5.903 3.860 1.00 0.00 C ATOM 569 O TYR A 79 0.974 -5.916 5.049 1.00 0.00 O ATOM 570 CB TYR A 79 3.470 -6.620 2.886 1.00 0.00 C ATOM 571 CG TYR A 79 4.264 -6.069 4.054 1.00 0.00 C ATOM 572 CD1 TYR A 79 4.525 -6.889 5.165 1.00 0.00 C ATOM 573 CD2 TYR A 79 4.622 -4.707 4.093 1.00 0.00 C ATOM 574 CE1 TYR A 79 5.088 -6.342 6.330 1.00 0.00 C ATOM 575 CE2 TYR A 79 5.239 -4.173 5.238 1.00 0.00 C ATOM 576 CZ TYR A 79 5.448 -4.986 6.364 1.00 0.00 C ATOM 577 OH TYR A 79 5.919 -4.440 7.520 1.00 0.00 O ATOM 0 H TYR A 79 1.951 -7.518 1.219 1.00 0.00 H new ATOM 0 HA TYR A 79 2.096 -7.863 3.994 1.00 0.00 H new ATOM 0 HB2 TYR A 79 4.008 -7.468 2.462 1.00 0.00 H new ATOM 0 HB3 TYR A 79 3.411 -5.858 2.109 1.00 0.00 H new ATOM 0 HD1 TYR A 79 4.292 -7.943 5.123 1.00 0.00 H new ATOM 0 HD2 TYR A 79 4.422 -4.072 3.242 1.00 0.00 H new ATOM 0 HE1 TYR A 79 5.244 -6.964 7.199 1.00 0.00 H new ATOM 0 HE2 TYR A 79 5.552 -3.139 5.252 1.00 0.00 H new ATOM 0 HH TYR A 79 5.419 -4.803 8.281 1.00 0.00 H new ATOM 578 N VAL A 80 0.974 -4.889 3.051 1.00 0.00 N ATOM 579 CA VAL A 80 0.168 -3.770 3.488 1.00 0.00 C ATOM 580 C VAL A 80 -1.153 -4.282 4.075 1.00 0.00 C ATOM 581 O VAL A 80 -1.583 -3.818 5.131 1.00 0.00 O ATOM 582 CB VAL A 80 -0.005 -2.815 2.299 1.00 0.00 C ATOM 583 CG1 VAL A 80 -1.171 -1.863 2.517 1.00 0.00 C ATOM 584 CG2 VAL A 80 1.272 -1.993 2.090 1.00 0.00 C ATOM 0 H VAL A 80 1.279 -4.829 2.080 1.00 0.00 H new ATOM 0 HA VAL A 80 0.650 -3.210 4.289 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.207 -3.424 1.418 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -1.266 -1.201 1.657 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.091 -2.436 2.637 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -0.993 -1.270 3.414 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.137 -1.319 1.244 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.481 -1.411 2.987 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.108 -2.664 1.890 1.00 0.00 H new ATOM 585 N TYR A 81 -1.789 -5.249 3.406 1.00 0.00 N ATOM 586 CA TYR A 81 -3.024 -5.844 3.890 1.00 0.00 C ATOM 587 C TYR A 81 -2.831 -6.446 5.274 1.00 0.00 C ATOM 588 O TYR A 81 -3.623 -6.167 6.167 1.00 0.00 O ATOM 589 CB TYR A 81 -3.557 -6.894 2.911 1.00 0.00 C ATOM 590 CG TYR A 81 -5.042 -7.147 3.074 1.00 0.00 C ATOM 591 CD1 TYR A 81 -5.950 -6.286 2.438 1.00 0.00 C ATOM 592 CD2 TYR A 81 -5.519 -8.126 3.968 1.00 0.00 C ATOM 593 CE1 TYR A 81 -7.318 -6.367 2.728 1.00 0.00 C ATOM 594 CE2 TYR A 81 -6.899 -8.222 4.234 1.00 0.00 C ATOM 595 CZ TYR A 81 -7.796 -7.318 3.641 1.00 0.00 C ATOM 596 OH TYR A 81 -9.127 -7.376 3.936 1.00 0.00 O ATOM 0 H TYR A 81 -1.460 -5.634 2.521 1.00 0.00 H new ATOM 0 HA TYR A 81 -3.767 -5.050 3.964 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -3.359 -6.567 1.890 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -3.015 -7.829 3.057 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -5.593 -5.559 1.723 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -4.827 -8.802 4.449 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -8.009 -5.692 2.245 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -7.268 -8.992 4.895 1.00 0.00 H new ATOM 0 HH TYR A 81 -9.603 -6.677 3.440 1.00 0.00 H new ATOM 597 N ASP A 82 -1.791 -7.266 5.460 1.00 0.00 N ATOM 598 CA ASP A 82 -1.490 -7.866 6.755 1.00 0.00 C ATOM 599 C ASP A 82 -1.293 -6.784 7.815 1.00 0.00 C ATOM 600 O ASP A 82 -1.943 -6.798 8.865 1.00 0.00 O ATOM 601 CB ASP A 82 -0.231 -8.744 6.697 1.00 0.00 C ATOM 602 CG ASP A 82 0.034 -9.310 8.088 1.00 0.00 C ATOM 603 OD1 ASP A 82 -0.932 -9.753 8.747 1.00 0.00 O ATOM 604 OD2 ASP A 82 1.172 -9.196 8.592 1.00 0.00 O ATOM 0 H ASP A 82 -1.141 -7.528 4.719 1.00 0.00 H new ATOM 0 HA ASP A 82 -2.340 -8.494 7.020 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -0.367 -9.553 5.979 1.00 0.00 H new ATOM 0 HB3 ASP A 82 0.623 -8.158 6.358 1.00 0.00 H new ATOM 605 N GLN A 83 -0.381 -5.847 7.529 1.00 0.00 N ATOM 606 CA GLN A 83 -0.073 -4.731 8.396 1.00 0.00 C ATOM 607 C GLN A 83 -1.356 -4.055 8.853 1.00 0.00 C ATOM 608 O GLN A 83 -1.572 -3.933 10.052 1.00 0.00 O ATOM 609 CB GLN A 83 0.838 -3.726 7.692 1.00 0.00 C ATOM 610 CG GLN A 83 2.301 -4.147 7.592 1.00 0.00 C ATOM 611 CD GLN A 83 3.033 -4.260 8.930 1.00 0.00 C ATOM 612 OE1 GLN A 83 3.836 -5.170 9.126 1.00 0.00 O ATOM 613 NE2 GLN A 83 2.785 -3.346 9.860 1.00 0.00 N ATOM 0 H GLN A 83 0.168 -5.854 6.669 1.00 0.00 H new ATOM 0 HA GLN A 83 0.457 -5.111 9.269 1.00 0.00 H new ATOM 0 HB2 GLN A 83 0.455 -3.553 6.686 1.00 0.00 H new ATOM 0 HB3 GLN A 83 0.784 -2.775 8.222 1.00 0.00 H new ATOM 0 HG2 GLN A 83 2.353 -5.110 7.084 1.00 0.00 H new ATOM 0 HG3 GLN A 83 2.829 -3.428 6.966 1.00 0.00 H new ATOM 0 HE21 GLN A 83 2.115 -2.600 9.676 1.00 0.00 H new ATOM 0 HE22 GLN A 83 3.265 -3.390 10.759 1.00 0.00 H new ATOM 614 N ALA A 84 -2.197 -3.638 7.905 1.00 0.00 N ATOM 615 CA ALA A 84 -3.464 -2.986 8.191 1.00 0.00 C ATOM 616 C ALA A 84 -4.405 -3.910 8.972 1.00 0.00 C ATOM 617 O ALA A 84 -4.964 -3.501 9.981 1.00 0.00 O ATOM 618 CB ALA A 84 -4.099 -2.514 6.883 1.00 0.00 C ATOM 0 H ALA A 84 -2.010 -3.747 6.908 1.00 0.00 H new ATOM 0 HA ALA A 84 -3.280 -2.119 8.825 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -5.049 -2.025 7.096 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -3.431 -1.809 6.388 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -4.270 -3.371 6.232 1.00 0.00 H new ATOM 619 N ALA A 85 -4.574 -5.160 8.539 1.00 0.00 N ATOM 620 CA ALA A 85 -5.505 -6.114 9.136 1.00 0.00 C ATOM 621 C ALA A 85 -5.200 -6.325 10.616 1.00 0.00 C ATOM 622 O ALA A 85 -6.079 -6.169 11.460 1.00 0.00 O ATOM 623 CB ALA A 85 -5.463 -7.447 8.380 1.00 0.00 C ATOM 0 H ALA A 85 -4.057 -5.544 7.748 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.511 -5.701 9.057 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.162 -8.147 8.837 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.742 -7.284 7.339 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -4.455 -7.859 8.425 1.00 0.00 H new ATOM 624 N GLY A 86 -3.945 -6.655 10.932 1.00 0.00 N ATOM 625 CA GLY A 86 -3.492 -6.738 12.316 1.00 0.00 C ATOM 626 C GLY A 86 -3.305 -5.352 12.942 1.00 0.00 C ATOM 627 O GLY A 86 -3.070 -5.246 14.142 1.00 0.00 O ATOM 0 H GLY A 86 -3.225 -6.869 10.242 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -4.216 -7.306 12.901 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -2.550 -7.285 12.357 1.00 0.00 H new ATOM 628 N ASN A 87 -3.366 -4.301 12.119 1.00 0.00 N ATOM 629 CA ASN A 87 -3.004 -2.925 12.416 1.00 0.00 C ATOM 630 C ASN A 87 -1.675 -2.867 13.175 1.00 0.00 C ATOM 631 O ASN A 87 -1.551 -2.168 14.179 1.00 0.00 O ATOM 632 CB ASN A 87 -4.174 -2.188 13.075 1.00 0.00 C ATOM 633 CG ASN A 87 -4.052 -0.687 12.835 1.00 0.00 C ATOM 634 OD1 ASN A 87 -4.746 -0.118 11.989 1.00 0.00 O ATOM 635 ND2 ASN A 87 -3.144 -0.044 13.556 1.00 0.00 N ATOM 0 H ASN A 87 -3.695 -4.405 11.159 1.00 0.00 H new ATOM 0 HA ASN A 87 -2.818 -2.377 11.492 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -5.118 -2.553 12.670 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -4.186 -2.393 14.146 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -3.000 0.957 13.420 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -2.589 -0.550 14.246 1.00 0.00 H new ATOM 636 N LYS A 88 -0.680 -3.617 12.679 1.00 0.00 N ATOM 637 CA LYS A 88 0.570 -3.884 13.364 1.00 0.00 C ATOM 638 C LYS A 88 1.705 -3.008 12.813 1.00 0.00 C ATOM 639 O LYS A 88 2.834 -3.472 12.647 1.00 0.00 O ATOM 640 CB LYS A 88 0.841 -5.400 13.276 1.00 0.00 C ATOM 641 CG LYS A 88 1.320 -5.901 11.903 1.00 0.00 C ATOM 642 CD LYS A 88 0.427 -6.947 11.216 1.00 0.00 C ATOM 643 CE LYS A 88 0.377 -8.295 11.949 1.00 0.00 C ATOM 644 NZ LYS A 88 0.216 -9.422 11.002 1.00 0.00 N ATOM 0 H LYS A 88 -0.735 -4.062 11.763 1.00 0.00 H new ATOM 0 HA LYS A 88 0.508 -3.613 14.418 1.00 0.00 H new ATOM 0 HB2 LYS A 88 1.590 -5.663 14.023 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -0.073 -5.932 13.541 1.00 0.00 H new ATOM 0 HG2 LYS A 88 1.416 -5.042 11.239 1.00 0.00 H new ATOM 0 HG3 LYS A 88 2.317 -6.325 12.021 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -0.585 -6.550 11.135 1.00 0.00 H new ATOM 0 HD3 LYS A 88 0.788 -7.109 10.201 1.00 0.00 H new ATOM 0 HE2 LYS A 88 1.292 -8.431 12.526 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -0.450 -8.294 12.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 0.135 -10.313 11.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -0.643 -9.278 10.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 1.043 -9.468 10.373 1.00 0.00 H new ATOM 645 N TRP A 89 1.387 -1.761 12.461 1.00 0.00 N ATOM 646 CA TRP A 89 2.385 -0.744 12.168 1.00 0.00 C ATOM 647 C TRP A 89 3.076 -0.314 13.463 1.00 0.00 C ATOM 648 O TRP A 89 2.392 -0.345 14.511 1.00 0.00 O ATOM 649 CB TRP A 89 1.697 0.448 11.508 1.00 0.00 C ATOM 650 CG TRP A 89 1.181 0.175 10.131 1.00 0.00 C ATOM 651 CD1 TRP A 89 -0.117 0.100 9.766 1.00 0.00 C ATOM 652 CD2 TRP A 89 1.952 -0.120 8.931 1.00 0.00 C ATOM 653 NE1 TRP A 89 -0.192 -0.183 8.421 1.00 0.00 N ATOM 654 CE2 TRP A 89 1.050 -0.305 7.845 1.00 0.00 C ATOM 655 CE3 TRP A 89 3.322 -0.301 8.658 1.00 0.00 C ATOM 656 CZ2 TRP A 89 1.481 -0.610 6.546 1.00 0.00 C ATOM 657 CZ3 TRP A 89 3.759 -0.688 7.381 1.00 0.00 C ATOM 658 CH2 TRP A 89 2.851 -0.798 6.314 1.00 0.00 C ATOM 659 OXT TRP A 89 4.269 0.049 13.376 1.00 0.00 O ATOM 0 H TRP A 89 0.426 -1.432 12.372 1.00 0.00 H new ATOM 0 HA TRP A 89 3.139 -1.144 11.490 1.00 0.00 H new ATOM 0 HB2 TRP A 89 0.867 0.768 12.138 1.00 0.00 H new ATOM 0 HB3 TRP A 89 2.401 1.279 11.462 1.00 0.00 H new ATOM 0 HD1 TRP A 89 -0.962 0.240 10.424 1.00 0.00 H new ATOM 0 HE1 TRP A 89 -1.069 -0.290 7.910 1.00 0.00 H new ATOM 0 HE3 TRP A 89 4.047 -0.140 9.442 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 0.770 -0.699 5.738 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 4.804 -0.904 7.217 1.00 0.00 H new ATOM 0 HH2 TRP A 89 3.207 -1.026 5.320 1.00 0.00 H new