USER MOD reduce.3.24.130724 H: found=0, std=0, add=443, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 443 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 2 GLN : amide:sc= -2.07 K(o=-2.1,f=-3.2!) USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 60:sc= 0.761 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= 0.149 K(o=0.15,f=-0.78) USER MOD Single : A 16 GLN : amide:sc= -0.887 K(o=-0.89,f=-3!) USER MOD Single : A 17 TYR OH : rot 157:sc= -4.45! USER MOD Single : A 20 HIS : no HD1:sc= -2.34 X(o=-2.3,f=-2.2!) USER MOD Single : A 21 SER OG : rot 39:sc= -1.29 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.0333 K(o=-0.033,f=-1) USER MOD Single : A 41 HIS : no HD1:sc= -0.289 X(o=-0.29,f=-0.082) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.0108 X(o=-0.011,f=0) USER MOD Single : A 52 GLN : amide:sc= -0.151 X(o=-0.15,f=-0.15) USER MOD Single : A 57 SER OG : rot -170:sc= -0.392 USER MOD Single : A 60 GLN : amide:sc= 0.0265 X(o=0.026,f=-0.46) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -0.621 K(o=-0.62,f=-0.11) USER MOD Single : A 67 ASN : amide:sc= -1.5 K(o=-1.5,f=-2.6!) USER MOD Single : A 68 SER OG : rot 180:sc= 0.0469 USER MOD Single : A 70 THR OG1 : rot 61:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 11 N GLN A 2 0.944 -2.150 -3.130 1.00 0.00 N ATOM 12 CA GLN A 2 1.174 -3.501 -3.627 1.00 0.00 C ATOM 13 C GLN A 2 2.644 -3.712 -3.970 1.00 0.00 C ATOM 14 O GLN A 2 3.214 -2.982 -4.781 1.00 0.00 O ATOM 15 CB GLN A 2 0.306 -3.768 -4.858 1.00 0.00 C ATOM 16 CG GLN A 2 0.590 -5.105 -5.524 1.00 0.00 C ATOM 17 CD GLN A 2 0.185 -6.284 -4.661 1.00 0.00 C ATOM 18 OE1 GLN A 2 -0.863 -6.264 -4.014 1.00 0.00 O ATOM 19 NE2 GLN A 2 1.014 -7.321 -4.648 1.00 0.00 N ATOM 0 HA GLN A 2 0.900 -4.203 -2.839 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -0.744 -3.732 -4.567 1.00 0.00 H new ATOM 0 HB3 GLN A 2 0.463 -2.970 -5.583 1.00 0.00 H new ATOM 0 HG2 GLN A 2 0.057 -5.154 -6.473 1.00 0.00 H new ATOM 0 HG3 GLN A 2 1.654 -5.175 -5.752 1.00 0.00 H new ATOM 0 HE21 GLN A 2 1.872 -7.295 -5.199 1.00 0.00 H new ATOM 0 HE22 GLN A 2 0.793 -8.144 -4.087 1.00 0.00 H new ATOM 28 N VAL A 3 3.254 -4.716 -3.348 1.00 0.00 N ATOM 29 CA VAL A 3 4.659 -5.024 -3.588 1.00 0.00 C ATOM 30 C VAL A 3 4.877 -6.528 -3.718 1.00 0.00 C ATOM 31 O VAL A 3 4.665 -7.280 -2.769 1.00 0.00 O ATOM 32 CB VAL A 3 5.554 -4.483 -2.457 1.00 0.00 C ATOM 33 CG1 VAL A 3 7.017 -4.784 -2.744 1.00 0.00 C ATOM 34 CG2 VAL A 3 5.334 -2.989 -2.274 1.00 0.00 C ATOM 0 H VAL A 3 2.797 -5.330 -2.674 1.00 0.00 H new ATOM 0 HA VAL A 3 4.934 -4.537 -4.523 1.00 0.00 H new ATOM 0 HB VAL A 3 5.281 -4.984 -1.528 1.00 0.00 H new ATOM 0 HG11 VAL A 3 7.634 -4.394 -1.934 1.00 0.00 H new ATOM 0 HG12 VAL A 3 7.158 -5.862 -2.822 1.00 0.00 H new ATOM 0 HG13 VAL A 3 7.308 -4.312 -3.682 1.00 0.00 H new ATOM 0 HG21 VAL A 3 5.974 -2.623 -1.471 1.00 0.00 H new ATOM 0 HG22 VAL A 3 5.580 -2.469 -3.200 1.00 0.00 H new ATOM 0 HG23 VAL A 3 4.290 -2.803 -2.020 1.00 0.00 H new ATOM 44 N ASN A 4 5.303 -6.958 -4.902 1.00 0.00 N ATOM 45 CA ASN A 4 5.551 -8.372 -5.157 1.00 0.00 C ATOM 46 C ASN A 4 7.014 -8.613 -5.513 1.00 0.00 C ATOM 47 O ASN A 4 7.531 -8.045 -6.476 1.00 0.00 O ATOM 48 CB ASN A 4 4.650 -8.873 -6.288 1.00 0.00 C ATOM 49 CG ASN A 4 5.151 -10.169 -6.896 1.00 0.00 C ATOM 50 OD1 ASN A 4 5.620 -10.193 -8.034 1.00 0.00 O ATOM 51 ND2 ASN A 4 5.055 -11.254 -6.137 1.00 0.00 N ATOM 0 H ASN A 4 5.483 -6.348 -5.699 1.00 0.00 H new ATOM 0 HA ASN A 4 5.322 -8.925 -4.246 1.00 0.00 H new ATOM 0 HB2 ASN A 4 3.640 -9.021 -5.906 1.00 0.00 H new ATOM 0 HB3 ASN A 4 4.588 -8.111 -7.065 1.00 0.00 H new ATOM 0 HD21 ASN A 4 5.377 -12.155 -6.492 1.00 0.00 H new ATOM 0 HD22 ASN A 4 4.659 -11.187 -5.199 1.00 0.00 H new ATOM 58 N ILE A 5 7.677 -9.457 -4.730 1.00 0.00 N ATOM 59 CA ILE A 5 9.080 -9.774 -4.964 1.00 0.00 C ATOM 60 C ILE A 5 9.284 -11.276 -5.134 1.00 0.00 C ATOM 61 O ILE A 5 8.672 -12.079 -4.431 1.00 0.00 O ATOM 62 CB ILE A 5 9.970 -9.274 -3.810 1.00 0.00 C ATOM 63 CG1 ILE A 5 9.739 -7.781 -3.569 1.00 0.00 C ATOM 64 CG2 ILE A 5 11.435 -9.546 -4.116 1.00 0.00 C ATOM 65 CD1 ILE A 5 10.177 -7.315 -2.198 1.00 0.00 C ATOM 0 H ILE A 5 7.265 -9.934 -3.928 1.00 0.00 H new ATOM 0 HA ILE A 5 9.369 -9.264 -5.883 1.00 0.00 H new ATOM 0 HB ILE A 5 9.702 -9.815 -2.903 1.00 0.00 H new ATOM 0 HG12 ILE A 5 10.277 -7.211 -4.327 1.00 0.00 H new ATOM 0 HG13 ILE A 5 8.679 -7.560 -3.697 1.00 0.00 H new ATOM 0 HG21 ILE A 5 12.052 -9.187 -3.292 1.00 0.00 H new ATOM 0 HG22 ILE A 5 11.587 -10.618 -4.243 1.00 0.00 H new ATOM 0 HG23 ILE A 5 11.718 -9.028 -5.033 1.00 0.00 H new ATOM 0 HD11 ILE A 5 9.983 -6.247 -2.098 1.00 0.00 H new ATOM 0 HD12 ILE A 5 9.620 -7.858 -1.434 1.00 0.00 H new ATOM 0 HD13 ILE A 5 11.243 -7.504 -2.073 1.00 0.00 H new ATOM 77 N ALA A 6 10.150 -11.648 -6.071 1.00 0.00 N ATOM 78 CA ALA A 6 10.438 -13.053 -6.331 1.00 0.00 C ATOM 79 C ALA A 6 11.556 -13.560 -5.427 1.00 0.00 C ATOM 80 O ALA A 6 12.630 -12.965 -5.334 1.00 0.00 O ATOM 81 CB ALA A 6 10.806 -13.254 -7.793 1.00 0.00 C ATOM 0 H ALA A 6 10.664 -10.996 -6.663 1.00 0.00 H new ATOM 0 HA ALA A 6 9.539 -13.630 -6.112 1.00 0.00 H new ATOM 0 HB1 ALA A 6 11.019 -14.308 -7.973 1.00 0.00 H new ATOM 0 HB2 ALA A 6 9.975 -12.938 -8.424 1.00 0.00 H new ATOM 0 HB3 ALA A 6 11.688 -12.660 -8.031 1.00 0.00 H new ATOM 87 N PRO A 7 11.301 -14.685 -4.743 1.00 0.00 N ATOM 88 CA PRO A 7 12.274 -15.297 -3.834 1.00 0.00 C ATOM 89 C PRO A 7 13.461 -15.901 -4.576 1.00 0.00 C ATOM 90 O PRO A 7 13.685 -15.610 -5.750 1.00 0.00 O ATOM 91 CB PRO A 7 11.466 -16.393 -3.135 1.00 0.00 C ATOM 92 CG PRO A 7 10.375 -16.728 -4.092 1.00 0.00 C ATOM 93 CD PRO A 7 10.042 -15.447 -4.805 1.00 0.00 C ATOM 0 HA PRO A 7 12.708 -14.567 -3.151 1.00 0.00 H new ATOM 0 HB2 PRO A 7 12.085 -17.264 -2.919 1.00 0.00 H new ATOM 0 HB3 PRO A 7 11.065 -16.043 -2.184 1.00 0.00 H new ATOM 0 HG2 PRO A 7 10.696 -17.495 -4.797 1.00 0.00 H new ATOM 0 HG3 PRO A 7 9.504 -17.121 -3.568 1.00 0.00 H new ATOM 0 HD2 PRO A 7 9.732 -15.629 -5.834 1.00 0.00 H new ATOM 0 HD3 PRO A 7 9.226 -14.915 -4.316 1.00 0.00 H new ATOM 101 N GLY A 8 14.219 -16.746 -3.884 1.00 0.00 N ATOM 102 CA GLY A 8 15.374 -17.379 -4.494 1.00 0.00 C ATOM 103 C GLY A 8 16.680 -16.748 -4.056 1.00 0.00 C ATOM 104 O GLY A 8 17.750 -17.123 -4.535 1.00 0.00 O ATOM 0 H GLY A 8 14.054 -17.004 -2.911 1.00 0.00 H new ATOM 0 HA2 GLY A 8 15.382 -18.438 -4.237 1.00 0.00 H new ATOM 0 HA3 GLY A 8 15.289 -17.315 -5.579 1.00 0.00 H new ATOM 108 N SER A 9 16.594 -15.786 -3.143 1.00 0.00 N ATOM 109 CA SER A 9 17.778 -15.097 -2.643 1.00 0.00 C ATOM 110 C SER A 9 17.395 -14.024 -1.629 1.00 0.00 C ATOM 111 O SER A 9 16.624 -13.113 -1.932 1.00 0.00 O ATOM 112 CB SER A 9 18.554 -14.466 -3.802 1.00 0.00 C ATOM 113 OG SER A 9 19.685 -15.249 -4.144 1.00 0.00 O ATOM 0 H SER A 9 15.716 -15.466 -2.734 1.00 0.00 H new ATOM 0 HA SER A 9 18.413 -15.831 -2.146 1.00 0.00 H new ATOM 0 HB2 SER A 9 17.901 -14.366 -4.669 1.00 0.00 H new ATOM 0 HB3 SER A 9 18.873 -13.461 -3.526 1.00 0.00 H new ATOM 0 HG SER A 9 19.394 -16.148 -4.405 1.00 0.00 H new ATOM 119 N LEU A 10 17.940 -14.139 -0.422 1.00 0.00 N ATOM 120 CA LEU A 10 17.656 -13.179 0.639 1.00 0.00 C ATOM 121 C LEU A 10 18.183 -11.794 0.276 1.00 0.00 C ATOM 122 O LEU A 10 17.486 -10.792 0.436 1.00 0.00 O ATOM 123 CB LEU A 10 18.281 -13.645 1.955 1.00 0.00 C ATOM 124 CG LEU A 10 18.385 -12.592 3.059 1.00 0.00 C ATOM 125 CD1 LEU A 10 17.720 -13.088 4.334 1.00 0.00 C ATOM 126 CD2 LEU A 10 19.841 -12.234 3.319 1.00 0.00 C ATOM 0 H LEU A 10 18.580 -14.887 -0.154 1.00 0.00 H new ATOM 0 HA LEU A 10 16.574 -13.116 0.759 1.00 0.00 H new ATOM 0 HB2 LEU A 10 17.697 -14.484 2.334 1.00 0.00 H new ATOM 0 HB3 LEU A 10 19.282 -14.022 1.745 1.00 0.00 H new ATOM 0 HG LEU A 10 17.864 -11.693 2.728 1.00 0.00 H new ATOM 0 HD11 LEU A 10 17.804 -12.326 5.108 1.00 0.00 H new ATOM 0 HD12 LEU A 10 16.667 -13.293 4.139 1.00 0.00 H new ATOM 0 HD13 LEU A 10 18.212 -14.001 4.669 1.00 0.00 H new ATOM 0 HD21 LEU A 10 19.896 -11.483 4.107 1.00 0.00 H new ATOM 0 HD22 LEU A 10 20.385 -13.126 3.629 1.00 0.00 H new ATOM 0 HD23 LEU A 10 20.286 -11.836 2.407 1.00 0.00 H new ATOM 138 N ASP A 11 19.417 -11.746 -0.215 1.00 0.00 N ATOM 139 CA ASP A 11 20.036 -10.485 -0.605 1.00 0.00 C ATOM 140 C ASP A 11 19.185 -9.759 -1.642 1.00 0.00 C ATOM 141 O ASP A 11 18.995 -8.545 -1.565 1.00 0.00 O ATOM 142 CB ASP A 11 21.439 -10.732 -1.161 1.00 0.00 C ATOM 143 CG ASP A 11 22.240 -9.452 -1.302 1.00 0.00 C ATOM 144 OD1 ASP A 11 21.697 -8.470 -1.851 1.00 0.00 O ATOM 145 OD2 ASP A 11 23.409 -9.432 -0.863 1.00 0.00 O ATOM 0 H ASP A 11 20.008 -12.566 -0.352 1.00 0.00 H new ATOM 0 HA ASP A 11 20.110 -9.856 0.282 1.00 0.00 H new ATOM 0 HB2 ASP A 11 21.971 -11.420 -0.504 1.00 0.00 H new ATOM 0 HB3 ASP A 11 21.361 -11.217 -2.134 1.00 0.00 H new ATOM 150 N LYS A 12 18.675 -10.510 -2.612 1.00 0.00 N ATOM 151 CA LYS A 12 17.843 -9.940 -3.665 1.00 0.00 C ATOM 152 C LYS A 12 16.514 -9.448 -3.103 1.00 0.00 C ATOM 153 O LYS A 12 16.161 -8.278 -3.249 1.00 0.00 O ATOM 154 CB LYS A 12 17.593 -10.976 -4.763 1.00 0.00 C ATOM 155 CG LYS A 12 18.755 -11.132 -5.729 1.00 0.00 C ATOM 156 CD LYS A 12 18.318 -10.913 -7.167 1.00 0.00 C ATOM 157 CE LYS A 12 17.314 -11.966 -7.611 1.00 0.00 C ATOM 158 NZ LYS A 12 17.506 -12.351 -9.037 1.00 0.00 N ATOM 0 H LYS A 12 18.823 -11.516 -2.691 1.00 0.00 H new ATOM 0 HA LYS A 12 18.374 -9.089 -4.091 1.00 0.00 H new ATOM 0 HB2 LYS A 12 17.385 -11.941 -4.300 1.00 0.00 H new ATOM 0 HB3 LYS A 12 16.702 -10.692 -5.323 1.00 0.00 H new ATOM 0 HG2 LYS A 12 19.540 -10.420 -5.474 1.00 0.00 H new ATOM 0 HG3 LYS A 12 19.184 -12.129 -5.626 1.00 0.00 H new ATOM 0 HD2 LYS A 12 17.876 -9.922 -7.267 1.00 0.00 H new ATOM 0 HD3 LYS A 12 19.189 -10.941 -7.821 1.00 0.00 H new ATOM 0 HE2 LYS A 12 17.412 -12.850 -6.980 1.00 0.00 H new ATOM 0 HE3 LYS A 12 16.302 -11.585 -7.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 16.802 -13.070 -9.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 17.388 -11.513 -9.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 18.462 -12.739 -9.166 1.00 0.00 H new ATOM 172 N ALA A 13 15.780 -10.349 -2.457 1.00 0.00 N ATOM 173 CA ALA A 13 14.491 -10.006 -1.870 1.00 0.00 C ATOM 174 C ALA A 13 14.608 -8.783 -0.966 1.00 0.00 C ATOM 175 O ALA A 13 13.671 -7.991 -0.851 1.00 0.00 O ATOM 176 CB ALA A 13 13.934 -11.188 -1.091 1.00 0.00 C ATOM 0 H ALA A 13 16.057 -11.322 -2.327 1.00 0.00 H new ATOM 0 HA ALA A 13 13.804 -9.763 -2.680 1.00 0.00 H new ATOM 0 HB1 ALA A 13 12.971 -10.917 -0.658 1.00 0.00 H new ATOM 0 HB2 ALA A 13 13.804 -12.037 -1.762 1.00 0.00 H new ATOM 0 HB3 ALA A 13 14.627 -11.458 -0.294 1.00 0.00 H new ATOM 182 N LEU A 14 15.763 -8.634 -0.326 1.00 0.00 N ATOM 183 CA LEU A 14 16.002 -7.507 0.568 1.00 0.00 C ATOM 184 C LEU A 14 16.069 -6.198 -0.211 1.00 0.00 C ATOM 185 O LEU A 14 15.354 -5.245 0.095 1.00 0.00 O ATOM 186 CB LEU A 14 17.301 -7.716 1.348 1.00 0.00 C ATOM 187 CG LEU A 14 18.032 -6.447 1.788 1.00 0.00 C ATOM 188 CD1 LEU A 14 17.152 -5.617 2.709 1.00 0.00 C ATOM 189 CD2 LEU A 14 19.344 -6.798 2.474 1.00 0.00 C ATOM 0 H LEU A 14 16.548 -9.280 -0.410 1.00 0.00 H new ATOM 0 HA LEU A 14 15.169 -7.449 1.269 1.00 0.00 H new ATOM 0 HB2 LEU A 14 17.077 -8.308 2.235 1.00 0.00 H new ATOM 0 HB3 LEU A 14 17.979 -8.307 0.733 1.00 0.00 H new ATOM 0 HG LEU A 14 18.256 -5.854 0.902 1.00 0.00 H new ATOM 0 HD11 LEU A 14 17.689 -4.718 3.012 1.00 0.00 H new ATOM 0 HD12 LEU A 14 16.239 -5.335 2.184 1.00 0.00 H new ATOM 0 HD13 LEU A 14 16.896 -6.202 3.592 1.00 0.00 H new ATOM 0 HD21 LEU A 14 19.851 -5.883 2.780 1.00 0.00 H new ATOM 0 HD22 LEU A 14 19.143 -7.412 3.351 1.00 0.00 H new ATOM 0 HD23 LEU A 14 19.980 -7.351 1.782 1.00 0.00 H new ATOM 201 N ASN A 15 16.932 -6.160 -1.222 1.00 0.00 N ATOM 202 CA ASN A 15 17.090 -4.968 -2.047 1.00 0.00 C ATOM 203 C ASN A 15 15.792 -4.634 -2.776 1.00 0.00 C ATOM 204 O ASN A 15 15.490 -3.467 -3.021 1.00 0.00 O ATOM 205 CB ASN A 15 18.220 -5.170 -3.059 1.00 0.00 C ATOM 206 CG ASN A 15 19.456 -5.784 -2.432 1.00 0.00 C ATOM 207 OD1 ASN A 15 19.798 -5.485 -1.287 1.00 0.00 O ATOM 208 ND2 ASN A 15 20.133 -6.648 -3.180 1.00 0.00 N ATOM 0 H ASN A 15 17.532 -6.941 -1.489 1.00 0.00 H new ATOM 0 HA ASN A 15 17.342 -4.134 -1.392 1.00 0.00 H new ATOM 0 HB2 ASN A 15 17.869 -5.812 -3.867 1.00 0.00 H new ATOM 0 HB3 ASN A 15 18.481 -4.210 -3.504 1.00 0.00 H new ATOM 0 HD21 ASN A 15 20.973 -7.094 -2.811 1.00 0.00 H new ATOM 0 HD22 ASN A 15 19.813 -6.866 -4.124 1.00 0.00 H new ATOM 215 N GLN A 16 15.030 -5.668 -3.118 1.00 0.00 N ATOM 216 CA GLN A 16 13.765 -5.483 -3.819 1.00 0.00 C ATOM 217 C GLN A 16 12.812 -4.614 -3.004 1.00 0.00 C ATOM 218 O GLN A 16 12.335 -3.584 -3.481 1.00 0.00 O ATOM 219 CB GLN A 16 13.116 -6.838 -4.109 1.00 0.00 C ATOM 220 CG GLN A 16 13.956 -7.737 -5.002 1.00 0.00 C ATOM 221 CD GLN A 16 13.476 -7.744 -6.440 1.00 0.00 C ATOM 222 OE1 GLN A 16 12.527 -7.043 -6.793 1.00 0.00 O ATOM 223 NE2 GLN A 16 14.131 -8.537 -7.279 1.00 0.00 N ATOM 0 H GLN A 16 15.266 -6.641 -2.921 1.00 0.00 H new ATOM 0 HA GLN A 16 13.972 -4.977 -4.762 1.00 0.00 H new ATOM 0 HB2 GLN A 16 12.928 -7.351 -3.166 1.00 0.00 H new ATOM 0 HB3 GLN A 16 12.147 -6.674 -4.581 1.00 0.00 H new ATOM 0 HG2 GLN A 16 14.994 -7.406 -4.971 1.00 0.00 H new ATOM 0 HG3 GLN A 16 13.934 -8.754 -4.611 1.00 0.00 H new ATOM 0 HE21 GLN A 16 14.912 -9.101 -6.943 1.00 0.00 H new ATOM 0 HE22 GLN A 16 13.853 -8.582 -8.259 1.00 0.00 H new ATOM 232 N TYR A 17 12.541 -5.036 -1.774 1.00 0.00 N ATOM 233 CA TYR A 17 11.643 -4.297 -0.894 1.00 0.00 C ATOM 234 C TYR A 17 12.317 -3.035 -0.364 1.00 0.00 C ATOM 235 O TYR A 17 11.679 -1.993 -0.217 1.00 0.00 O ATOM 236 CB TYR A 17 11.199 -5.180 0.273 1.00 0.00 C ATOM 237 CG TYR A 17 12.080 -5.058 1.495 1.00 0.00 C ATOM 238 CD1 TYR A 17 11.865 -4.057 2.434 1.00 0.00 C ATOM 239 CD2 TYR A 17 13.129 -5.944 1.711 1.00 0.00 C ATOM 240 CE1 TYR A 17 12.669 -3.941 3.552 1.00 0.00 C ATOM 241 CE2 TYR A 17 13.937 -5.836 2.826 1.00 0.00 C ATOM 242 CZ TYR A 17 13.703 -4.833 3.744 1.00 0.00 C ATOM 243 OH TYR A 17 14.505 -4.722 4.856 1.00 0.00 O ATOM 0 H TYR A 17 12.930 -5.885 -1.364 1.00 0.00 H new ATOM 0 HA TYR A 17 10.767 -4.004 -1.473 1.00 0.00 H new ATOM 0 HB2 TYR A 17 10.176 -4.920 0.546 1.00 0.00 H new ATOM 0 HB3 TYR A 17 11.187 -6.220 -0.053 1.00 0.00 H new ATOM 0 HD1 TYR A 17 11.055 -3.357 2.288 1.00 0.00 H new ATOM 0 HD2 TYR A 17 13.315 -6.730 0.995 1.00 0.00 H new ATOM 0 HE1 TYR A 17 12.489 -3.156 4.271 1.00 0.00 H new ATOM 0 HE2 TYR A 17 14.748 -6.533 2.978 1.00 0.00 H new ATOM 0 HH TYR A 17 14.923 -5.588 5.045 1.00 0.00 H new ATOM 253 N ALA A 18 13.611 -3.138 -0.079 1.00 0.00 N ATOM 254 CA ALA A 18 14.373 -2.006 0.433 1.00 0.00 C ATOM 255 C ALA A 18 14.398 -0.861 -0.574 1.00 0.00 C ATOM 256 O ALA A 18 14.441 0.309 -0.197 1.00 0.00 O ATOM 257 CB ALA A 18 15.790 -2.437 0.780 1.00 0.00 C ATOM 0 H ALA A 18 14.153 -3.994 -0.194 1.00 0.00 H new ATOM 0 HA ALA A 18 13.882 -1.649 1.338 1.00 0.00 H new ATOM 0 HB1 ALA A 18 16.348 -1.581 1.161 1.00 0.00 H new ATOM 0 HB2 ALA A 18 15.757 -3.217 1.541 1.00 0.00 H new ATOM 0 HB3 ALA A 18 16.282 -2.822 -0.113 1.00 0.00 H new ATOM 263 N ALA A 19 14.372 -1.207 -1.857 1.00 0.00 N ATOM 264 CA ALA A 19 14.390 -0.208 -2.919 1.00 0.00 C ATOM 265 C ALA A 19 13.013 0.419 -3.106 1.00 0.00 C ATOM 266 O ALA A 19 12.896 1.570 -3.527 1.00 0.00 O ATOM 267 CB ALA A 19 14.870 -0.831 -4.221 1.00 0.00 C ATOM 0 H ALA A 19 14.338 -2.172 -2.186 1.00 0.00 H new ATOM 0 HA ALA A 19 15.083 0.582 -2.630 1.00 0.00 H new ATOM 0 HB1 ALA A 19 14.878 -0.074 -5.005 1.00 0.00 H new ATOM 0 HB2 ALA A 19 15.877 -1.225 -4.086 1.00 0.00 H new ATOM 0 HB3 ALA A 19 14.199 -1.641 -4.506 1.00 0.00 H new ATOM 273 N HIS A 20 11.972 -0.344 -2.790 1.00 0.00 N ATOM 274 CA HIS A 20 10.602 0.138 -2.923 1.00 0.00 C ATOM 275 C HIS A 20 10.244 1.083 -1.780 1.00 0.00 C ATOM 276 O HIS A 20 9.378 1.946 -1.922 1.00 0.00 O ATOM 277 CB HIS A 20 9.625 -1.038 -2.952 1.00 0.00 C ATOM 278 CG HIS A 20 8.771 -1.138 -1.726 1.00 0.00 C ATOM 279 ND1 HIS A 20 7.684 -0.321 -1.498 1.00 0.00 N ATOM 280 CD2 HIS A 20 8.847 -1.966 -0.659 1.00 0.00 C ATOM 281 CE1 HIS A 20 7.130 -0.641 -0.342 1.00 0.00 C ATOM 282 NE2 HIS A 20 7.817 -1.637 0.187 1.00 0.00 N ATOM 0 H HIS A 20 12.051 -1.299 -2.440 1.00 0.00 H new ATOM 0 HA HIS A 20 10.527 0.687 -3.862 1.00 0.00 H new ATOM 0 HB2 HIS A 20 8.981 -0.943 -3.826 1.00 0.00 H new ATOM 0 HB3 HIS A 20 10.188 -1.964 -3.069 1.00 0.00 H new ATOM 0 HD2 HIS A 20 9.582 -2.742 -0.502 1.00 0.00 H new ATOM 0 HE1 HIS A 20 6.263 -0.169 0.096 1.00 0.00 H new ATOM 0 HE2 HIS A 20 7.615 -2.088 1.079 1.00 0.00 H new ATOM 290 N SER A 21 10.917 0.913 -0.646 1.00 0.00 N ATOM 291 CA SER A 21 10.667 1.748 0.523 1.00 0.00 C ATOM 292 C SER A 21 11.468 3.044 0.446 1.00 0.00 C ATOM 293 O SER A 21 10.901 4.134 0.379 1.00 0.00 O ATOM 294 CB SER A 21 11.025 0.989 1.803 1.00 0.00 C ATOM 295 OG SER A 21 11.156 1.875 2.901 1.00 0.00 O ATOM 0 H SER A 21 11.639 0.205 -0.512 1.00 0.00 H new ATOM 0 HA SER A 21 9.606 1.998 0.541 1.00 0.00 H new ATOM 0 HB2 SER A 21 10.254 0.249 2.019 1.00 0.00 H new ATOM 0 HB3 SER A 21 11.958 0.444 1.658 1.00 0.00 H new ATOM 0 HG SER A 21 10.467 2.570 2.844 1.00 0.00 H new ATOM 301 N GLY A 22 12.792 2.917 0.457 1.00 0.00 N ATOM 302 CA GLY A 22 13.650 4.085 0.389 1.00 0.00 C ATOM 303 C GLY A 22 14.573 4.198 1.586 1.00 0.00 C ATOM 304 O GLY A 22 15.135 5.261 1.847 1.00 0.00 O ATOM 0 H GLY A 22 13.285 2.026 0.512 1.00 0.00 H new ATOM 0 HA2 GLY A 22 14.246 4.041 -0.522 1.00 0.00 H new ATOM 0 HA3 GLY A 22 13.033 4.981 0.324 1.00 0.00 H new ATOM 308 N PHE A 23 14.728 3.099 2.317 1.00 0.00 N ATOM 309 CA PHE A 23 15.587 3.080 3.495 1.00 0.00 C ATOM 310 C PHE A 23 16.727 2.080 3.321 1.00 0.00 C ATOM 311 O PHE A 23 16.732 1.283 2.382 1.00 0.00 O ATOM 312 CB PHE A 23 14.772 2.728 4.741 1.00 0.00 C ATOM 313 CG PHE A 23 14.571 1.251 4.929 1.00 0.00 C ATOM 314 CD1 PHE A 23 13.807 0.522 4.032 1.00 0.00 C ATOM 315 CD2 PHE A 23 15.148 0.592 6.003 1.00 0.00 C ATOM 316 CE1 PHE A 23 13.621 -0.836 4.203 1.00 0.00 C ATOM 317 CE2 PHE A 23 14.965 -0.767 6.179 1.00 0.00 C ATOM 318 CZ PHE A 23 14.202 -1.482 5.277 1.00 0.00 C ATOM 0 H PHE A 23 14.270 2.210 2.114 1.00 0.00 H new ATOM 0 HA PHE A 23 16.015 4.075 3.618 1.00 0.00 H new ATOM 0 HB2 PHE A 23 15.274 3.133 5.620 1.00 0.00 H new ATOM 0 HB3 PHE A 23 13.798 3.214 4.678 1.00 0.00 H new ATOM 0 HD1 PHE A 23 13.352 1.021 3.189 1.00 0.00 H new ATOM 0 HD2 PHE A 23 15.747 1.146 6.710 1.00 0.00 H new ATOM 0 HE1 PHE A 23 13.022 -1.392 3.498 1.00 0.00 H new ATOM 0 HE2 PHE A 23 15.418 -1.269 7.021 1.00 0.00 H new ATOM 0 HZ PHE A 23 14.060 -2.544 5.411 1.00 0.00 H new ATOM 328 N THR A 24 17.694 2.130 4.231 1.00 0.00 N ATOM 329 CA THR A 24 18.841 1.232 4.179 1.00 0.00 C ATOM 330 C THR A 24 18.738 0.146 5.243 1.00 0.00 C ATOM 331 O THR A 24 18.107 0.340 6.284 1.00 0.00 O ATOM 332 CB THR A 24 20.164 1.998 4.369 1.00 0.00 C ATOM 333 OG1 THR A 24 20.174 3.170 3.547 1.00 0.00 O ATOM 334 CG2 THR A 24 21.354 1.117 4.020 1.00 0.00 C ATOM 0 H THR A 24 17.706 2.784 5.014 1.00 0.00 H new ATOM 0 HA THR A 24 18.836 0.771 3.192 1.00 0.00 H new ATOM 0 HB THR A 24 20.243 2.289 5.416 1.00 0.00 H new ATOM 0 HG1 THR A 24 21.018 3.652 3.675 1.00 0.00 H new ATOM 0 HG21 THR A 24 22.277 1.679 4.162 1.00 0.00 H new ATOM 0 HG22 THR A 24 21.360 0.240 4.668 1.00 0.00 H new ATOM 0 HG23 THR A 24 21.279 0.799 2.980 1.00 0.00 H new ATOM 342 N LEU A 25 19.361 -0.997 4.978 1.00 0.00 N ATOM 343 CA LEU A 25 19.340 -2.115 5.915 1.00 0.00 C ATOM 344 C LEU A 25 20.706 -2.789 5.989 1.00 0.00 C ATOM 345 O LEU A 25 21.403 -2.914 4.982 1.00 0.00 O ATOM 346 CB LEU A 25 18.278 -3.135 5.499 1.00 0.00 C ATOM 347 CG LEU A 25 17.984 -4.246 6.506 1.00 0.00 C ATOM 348 CD1 LEU A 25 16.684 -3.967 7.245 1.00 0.00 C ATOM 349 CD2 LEU A 25 17.922 -5.597 5.808 1.00 0.00 C ATOM 0 H LEU A 25 19.887 -1.174 4.122 1.00 0.00 H new ATOM 0 HA LEU A 25 19.094 -1.725 6.902 1.00 0.00 H new ATOM 0 HB2 LEU A 25 17.350 -2.601 5.296 1.00 0.00 H new ATOM 0 HB3 LEU A 25 18.592 -3.595 4.562 1.00 0.00 H new ATOM 0 HG LEU A 25 18.794 -4.272 7.234 1.00 0.00 H new ATOM 0 HD11 LEU A 25 16.491 -4.769 7.958 1.00 0.00 H new ATOM 0 HD12 LEU A 25 16.764 -3.020 7.778 1.00 0.00 H new ATOM 0 HD13 LEU A 25 15.863 -3.912 6.530 1.00 0.00 H new ATOM 0 HD21 LEU A 25 17.712 -6.376 6.541 1.00 0.00 H new ATOM 0 HD22 LEU A 25 17.132 -5.583 5.057 1.00 0.00 H new ATOM 0 HD23 LEU A 25 18.878 -5.801 5.325 1.00 0.00 H new ATOM 361 N SER A 26 21.082 -3.222 7.188 1.00 0.00 N ATOM 362 CA SER A 26 22.366 -3.881 7.395 1.00 0.00 C ATOM 363 C SER A 26 22.189 -5.187 8.163 1.00 0.00 C ATOM 364 O SER A 26 22.012 -5.185 9.382 1.00 0.00 O ATOM 365 CB SER A 26 23.323 -2.957 8.151 1.00 0.00 C ATOM 366 OG SER A 26 24.350 -2.479 7.300 1.00 0.00 O ATOM 0 H SER A 26 20.515 -3.128 8.031 1.00 0.00 H new ATOM 0 HA SER A 26 22.790 -4.109 6.417 1.00 0.00 H new ATOM 0 HB2 SER A 26 22.769 -2.115 8.565 1.00 0.00 H new ATOM 0 HB3 SER A 26 23.763 -3.494 8.991 1.00 0.00 H new ATOM 0 HG SER A 26 24.947 -1.890 7.807 1.00 0.00 H new ATOM 372 N VAL A 27 22.237 -6.303 7.442 1.00 0.00 N ATOM 373 CA VAL A 27 22.083 -7.617 8.054 1.00 0.00 C ATOM 374 C VAL A 27 23.167 -8.576 7.578 1.00 0.00 C ATOM 375 O VAL A 27 23.512 -8.602 6.396 1.00 0.00 O ATOM 376 CB VAL A 27 20.702 -8.223 7.741 1.00 0.00 C ATOM 377 CG1 VAL A 27 20.387 -8.096 6.258 1.00 0.00 C ATOM 378 CG2 VAL A 27 20.647 -9.678 8.183 1.00 0.00 C ATOM 0 H VAL A 27 22.381 -6.323 6.432 1.00 0.00 H new ATOM 0 HA VAL A 27 22.175 -7.477 9.131 1.00 0.00 H new ATOM 0 HB VAL A 27 19.946 -7.669 8.297 1.00 0.00 H new ATOM 0 HG11 VAL A 27 19.408 -8.529 6.056 1.00 0.00 H new ATOM 0 HG12 VAL A 27 20.383 -7.043 5.976 1.00 0.00 H new ATOM 0 HG13 VAL A 27 21.144 -8.624 5.679 1.00 0.00 H new ATOM 0 HG21 VAL A 27 19.664 -10.091 7.954 1.00 0.00 H new ATOM 0 HG22 VAL A 27 21.412 -10.248 7.655 1.00 0.00 H new ATOM 0 HG23 VAL A 27 20.825 -9.739 9.257 1.00 0.00 H new ATOM 388 N ASP A 28 23.701 -9.364 8.504 1.00 0.00 N ATOM 389 CA ASP A 28 24.746 -10.328 8.179 1.00 0.00 C ATOM 390 C ASP A 28 24.176 -11.503 7.391 1.00 0.00 C ATOM 391 O ASP A 28 23.654 -12.456 7.969 1.00 0.00 O ATOM 392 CB ASP A 28 25.420 -10.833 9.456 1.00 0.00 C ATOM 393 CG ASP A 28 26.854 -11.263 9.222 1.00 0.00 C ATOM 394 OD1 ASP A 28 27.385 -10.987 8.126 1.00 0.00 O ATOM 395 OD2 ASP A 28 27.446 -11.878 10.135 1.00 0.00 O ATOM 0 H ASP A 28 23.427 -9.354 9.487 1.00 0.00 H new ATOM 0 HA ASP A 28 25.489 -9.825 7.560 1.00 0.00 H new ATOM 0 HB2 ASP A 28 25.398 -10.047 10.210 1.00 0.00 H new ATOM 0 HB3 ASP A 28 24.852 -11.673 9.855 1.00 0.00 H new ATOM 524 N SER A 37 14.897 -16.778 0.458 1.00 0.00 N ATOM 525 CA SER A 37 13.959 -16.097 1.341 1.00 0.00 C ATOM 526 C SER A 37 12.621 -15.870 0.642 1.00 0.00 C ATOM 527 O SER A 37 12.574 -15.577 -0.551 1.00 0.00 O ATOM 528 CB SER A 37 14.539 -14.759 1.802 1.00 0.00 C ATOM 529 OG SER A 37 13.544 -13.953 2.410 1.00 0.00 O ATOM 0 HA SER A 37 13.792 -16.732 2.211 1.00 0.00 H new ATOM 0 HB2 SER A 37 15.350 -14.935 2.508 1.00 0.00 H new ATOM 0 HB3 SER A 37 14.967 -14.232 0.949 1.00 0.00 H new ATOM 0 HG SER A 37 13.941 -13.104 2.697 1.00 0.00 H new ATOM 535 N ASN A 38 11.536 -16.010 1.397 1.00 0.00 N ATOM 536 CA ASN A 38 10.197 -15.821 0.851 1.00 0.00 C ATOM 537 C ASN A 38 9.972 -14.366 0.450 1.00 0.00 C ATOM 538 O ASN A 38 10.020 -13.466 1.288 1.00 0.00 O ATOM 539 CB ASN A 38 9.142 -16.249 1.873 1.00 0.00 C ATOM 540 CG ASN A 38 8.942 -17.752 1.903 1.00 0.00 C ATOM 541 OD1 ASN A 38 8.978 -18.415 0.866 1.00 0.00 O ATOM 542 ND2 ASN A 38 8.729 -18.297 3.095 1.00 0.00 N ATOM 0 H ASN A 38 11.558 -16.253 2.387 1.00 0.00 H new ATOM 0 HA ASN A 38 10.104 -16.443 -0.040 1.00 0.00 H new ATOM 0 HB2 ASN A 38 9.439 -15.905 2.864 1.00 0.00 H new ATOM 0 HB3 ASN A 38 8.195 -15.764 1.638 1.00 0.00 H new ATOM 0 HD21 ASN A 38 8.587 -19.304 3.177 1.00 0.00 H new ATOM 0 HD22 ASN A 38 8.707 -17.709 3.928 1.00 0.00 H new ATOM 549 N GLY A 39 9.727 -14.143 -0.837 1.00 0.00 N ATOM 550 CA GLY A 39 9.498 -12.796 -1.327 1.00 0.00 C ATOM 551 C GLY A 39 8.260 -12.163 -0.723 1.00 0.00 C ATOM 552 O GLY A 39 7.730 -12.647 0.278 1.00 0.00 O ATOM 0 H GLY A 39 9.683 -14.871 -1.550 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.366 -12.177 -1.100 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.398 -12.819 -2.412 1.00 0.00 H new ATOM 556 N LEU A 40 7.798 -11.075 -1.331 1.00 0.00 N ATOM 557 CA LEU A 40 6.615 -10.373 -0.847 1.00 0.00 C ATOM 558 C LEU A 40 5.456 -10.518 -1.827 1.00 0.00 C ATOM 559 O LEU A 40 5.658 -10.819 -3.004 1.00 0.00 O ATOM 560 CB LEU A 40 6.931 -8.892 -0.629 1.00 0.00 C ATOM 561 CG LEU A 40 5.827 -8.059 0.023 1.00 0.00 C ATOM 562 CD1 LEU A 40 5.419 -8.663 1.357 1.00 0.00 C ATOM 563 CD2 LEU A 40 6.282 -6.618 0.204 1.00 0.00 C ATOM 0 H LEU A 40 8.225 -10.661 -2.160 1.00 0.00 H new ATOM 0 HA LEU A 40 6.321 -10.820 0.103 1.00 0.00 H new ATOM 0 HB2 LEU A 40 7.826 -8.819 -0.011 1.00 0.00 H new ATOM 0 HB3 LEU A 40 7.173 -8.447 -1.594 1.00 0.00 H new ATOM 0 HG LEU A 40 4.958 -8.064 -0.635 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.632 -8.056 1.806 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.050 -9.677 1.200 1.00 0.00 H new ATOM 0 HD13 LEU A 40 6.281 -8.690 2.023 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.484 -6.040 0.669 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.166 -6.593 0.841 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.522 -6.187 -0.768 1.00 0.00 H new ATOM 575 N HIS A 41 4.240 -10.301 -1.334 1.00 0.00 N ATOM 576 CA HIS A 41 3.048 -10.405 -2.168 1.00 0.00 C ATOM 577 C HIS A 41 1.872 -9.674 -1.528 1.00 0.00 C ATOM 578 O HIS A 41 1.233 -10.189 -0.611 1.00 0.00 O ATOM 579 CB HIS A 41 2.687 -11.873 -2.398 1.00 0.00 C ATOM 580 CG HIS A 41 2.166 -12.153 -3.774 1.00 0.00 C ATOM 581 ND1 HIS A 41 1.956 -13.428 -4.254 1.00 0.00 N ATOM 582 CD2 HIS A 41 1.810 -11.313 -4.774 1.00 0.00 C ATOM 583 CE1 HIS A 41 1.495 -13.361 -5.490 1.00 0.00 C ATOM 584 NE2 HIS A 41 1.397 -12.088 -5.829 1.00 0.00 N ATOM 0 H HIS A 41 4.055 -10.052 -0.362 1.00 0.00 H new ATOM 0 HA HIS A 41 3.265 -9.937 -3.128 1.00 0.00 H new ATOM 0 HB2 HIS A 41 3.569 -12.488 -2.220 1.00 0.00 H new ATOM 0 HB3 HIS A 41 1.937 -12.173 -1.666 1.00 0.00 H new ATOM 0 HD2 HIS A 41 1.844 -10.234 -4.747 1.00 0.00 H new ATOM 0 HE1 HIS A 41 1.241 -14.203 -6.117 1.00 0.00 H new ATOM 0 HE2 HIS A 41 1.068 -11.738 -6.729 1.00 0.00 H new ATOM 592 N GLY A 42 1.592 -8.469 -2.017 1.00 0.00 N ATOM 593 CA GLY A 42 0.494 -7.687 -1.479 1.00 0.00 C ATOM 594 C GLY A 42 0.925 -6.296 -1.059 1.00 0.00 C ATOM 595 O GLY A 42 2.099 -5.942 -1.169 1.00 0.00 O ATOM 0 H GLY A 42 2.106 -8.021 -2.776 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.294 -7.609 -2.228 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.068 -8.207 -0.621 1.00 0.00 H new ATOM 599 N ASP A 43 -0.027 -5.504 -0.577 1.00 0.00 N ATOM 600 CA ASP A 43 0.260 -4.143 -0.140 1.00 0.00 C ATOM 601 C ASP A 43 0.809 -4.134 1.284 1.00 0.00 C ATOM 602 O ASP A 43 0.103 -4.473 2.234 1.00 0.00 O ATOM 603 CB ASP A 43 -1.002 -3.282 -0.218 1.00 0.00 C ATOM 604 CG ASP A 43 -2.134 -3.837 0.625 1.00 0.00 C ATOM 605 OD1 ASP A 43 -2.740 -4.848 0.212 1.00 0.00 O ATOM 606 OD2 ASP A 43 -2.414 -3.259 1.696 1.00 0.00 O ATOM 0 H ASP A 43 -1.004 -5.781 -0.479 1.00 0.00 H new ATOM 0 HA ASP A 43 1.016 -3.726 -0.805 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -0.769 -2.270 0.113 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -1.327 -3.211 -1.256 1.00 0.00 H new ATOM 611 N TYR A 44 2.071 -3.745 1.423 1.00 0.00 N ATOM 612 CA TYR A 44 2.716 -3.696 2.730 1.00 0.00 C ATOM 613 C TYR A 44 3.726 -2.555 2.796 1.00 0.00 C ATOM 614 O TYR A 44 4.499 -2.340 1.862 1.00 0.00 O ATOM 615 CB TYR A 44 3.411 -5.025 3.030 1.00 0.00 C ATOM 616 CG TYR A 44 2.465 -6.203 3.088 1.00 0.00 C ATOM 617 CD1 TYR A 44 1.652 -6.413 4.195 1.00 0.00 C ATOM 618 CD2 TYR A 44 2.383 -7.106 2.035 1.00 0.00 C ATOM 619 CE1 TYR A 44 0.787 -7.489 4.253 1.00 0.00 C ATOM 620 CE2 TYR A 44 1.519 -8.183 2.083 1.00 0.00 C ATOM 621 CZ TYR A 44 0.724 -8.371 3.194 1.00 0.00 C ATOM 622 OH TYR A 44 -0.137 -9.442 3.247 1.00 0.00 O ATOM 0 H TYR A 44 2.668 -3.459 0.647 1.00 0.00 H new ATOM 0 HA TYR A 44 1.945 -3.520 3.481 1.00 0.00 H new ATOM 0 HB2 TYR A 44 4.165 -5.212 2.265 1.00 0.00 H new ATOM 0 HB3 TYR A 44 3.936 -4.944 3.982 1.00 0.00 H new ATOM 0 HD1 TYR A 44 1.697 -5.723 5.025 1.00 0.00 H new ATOM 0 HD2 TYR A 44 3.005 -6.963 1.164 1.00 0.00 H new ATOM 0 HE1 TYR A 44 0.164 -7.639 5.122 1.00 0.00 H new ATOM 0 HE2 TYR A 44 1.466 -8.874 1.255 1.00 0.00 H new ATOM 0 HH TYR A 44 -0.060 -9.965 2.422 1.00 0.00 H new ATOM 632 N ASP A 45 3.715 -1.827 3.907 1.00 0.00 N ATOM 633 CA ASP A 45 4.631 -0.708 4.098 1.00 0.00 C ATOM 634 C ASP A 45 6.071 -1.198 4.212 1.00 0.00 C ATOM 635 O ASP A 45 6.343 -2.392 4.084 1.00 0.00 O ATOM 636 CB ASP A 45 4.248 0.084 5.349 1.00 0.00 C ATOM 637 CG ASP A 45 2.782 0.472 5.363 1.00 0.00 C ATOM 638 OD1 ASP A 45 2.239 0.777 4.281 1.00 0.00 O ATOM 639 OD2 ASP A 45 2.179 0.468 6.456 1.00 0.00 O ATOM 0 H ASP A 45 3.082 -1.992 4.689 1.00 0.00 H new ATOM 0 HA ASP A 45 4.556 -0.056 3.228 1.00 0.00 H new ATOM 0 HB2 ASP A 45 4.472 -0.511 6.235 1.00 0.00 H new ATOM 0 HB3 ASP A 45 4.860 0.984 5.407 1.00 0.00 H new ATOM 644 N VAL A 46 6.990 -0.268 4.453 1.00 0.00 N ATOM 645 CA VAL A 46 8.402 -0.605 4.584 1.00 0.00 C ATOM 646 C VAL A 46 8.619 -1.650 5.673 1.00 0.00 C ATOM 647 O VAL A 46 9.302 -2.651 5.459 1.00 0.00 O ATOM 648 CB VAL A 46 9.249 0.640 4.907 1.00 0.00 C ATOM 649 CG1 VAL A 46 8.641 1.413 6.068 1.00 0.00 C ATOM 650 CG2 VAL A 46 10.685 0.243 5.214 1.00 0.00 C ATOM 0 H VAL A 46 6.781 0.725 4.561 1.00 0.00 H new ATOM 0 HA VAL A 46 8.720 -1.013 3.624 1.00 0.00 H new ATOM 0 HB VAL A 46 9.255 1.290 4.032 1.00 0.00 H new ATOM 0 HG11 VAL A 46 9.253 2.289 6.282 1.00 0.00 H new ATOM 0 HG12 VAL A 46 7.632 1.731 5.805 1.00 0.00 H new ATOM 0 HG13 VAL A 46 8.602 0.774 6.950 1.00 0.00 H new ATOM 0 HG21 VAL A 46 11.269 1.135 5.440 1.00 0.00 H new ATOM 0 HG22 VAL A 46 10.701 -0.428 6.073 1.00 0.00 H new ATOM 0 HG23 VAL A 46 11.115 -0.263 4.350 1.00 0.00 H new ATOM 660 N GLU A 47 8.032 -1.410 6.841 1.00 0.00 N ATOM 661 CA GLU A 47 8.162 -2.331 7.964 1.00 0.00 C ATOM 662 C GLU A 47 7.314 -3.581 7.743 1.00 0.00 C ATOM 663 O GLU A 47 7.804 -4.704 7.860 1.00 0.00 O ATOM 664 CB GLU A 47 7.747 -1.643 9.267 1.00 0.00 C ATOM 665 CG GLU A 47 8.856 -1.582 10.303 1.00 0.00 C ATOM 666 CD GLU A 47 9.573 -2.908 10.470 1.00 0.00 C ATOM 667 OE1 GLU A 47 8.885 -3.936 10.639 1.00 0.00 O ATOM 668 OE2 GLU A 47 10.821 -2.918 10.431 1.00 0.00 O ATOM 0 H GLU A 47 7.462 -0.586 7.034 1.00 0.00 H new ATOM 0 HA GLU A 47 9.208 -2.630 8.037 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.415 -0.629 9.043 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.894 -2.172 9.691 1.00 0.00 H new ATOM 0 HG2 GLU A 47 9.577 -0.818 10.013 1.00 0.00 H new ATOM 0 HG3 GLU A 47 8.436 -1.277 11.262 1.00 0.00 H new ATOM 675 N SER A 48 6.040 -3.376 7.424 1.00 0.00 N ATOM 676 CA SER A 48 5.123 -4.485 7.191 1.00 0.00 C ATOM 677 C SER A 48 5.699 -5.461 6.169 1.00 0.00 C ATOM 678 O SER A 48 5.767 -6.665 6.413 1.00 0.00 O ATOM 679 CB SER A 48 3.769 -3.962 6.708 1.00 0.00 C ATOM 680 OG SER A 48 2.810 -3.987 7.751 1.00 0.00 O ATOM 0 H SER A 48 5.620 -2.452 7.321 1.00 0.00 H new ATOM 0 HA SER A 48 4.984 -5.014 8.134 1.00 0.00 H new ATOM 0 HB2 SER A 48 3.881 -2.943 6.337 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.418 -4.569 5.873 1.00 0.00 H new ATOM 0 HG SER A 48 1.954 -3.646 7.417 1.00 0.00 H new ATOM 686 N GLY A 49 6.112 -4.931 5.022 1.00 0.00 N ATOM 687 CA GLY A 49 6.677 -5.767 3.979 1.00 0.00 C ATOM 688 C GLY A 49 8.018 -6.355 4.370 1.00 0.00 C ATOM 689 O GLY A 49 8.323 -7.501 4.037 1.00 0.00 O ATOM 0 H GLY A 49 6.065 -3.937 4.796 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.983 -6.575 3.749 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.793 -5.178 3.069 1.00 0.00 H new ATOM 693 N LEU A 50 8.823 -5.569 5.077 1.00 0.00 N ATOM 694 CA LEU A 50 10.141 -6.018 5.513 1.00 0.00 C ATOM 695 C LEU A 50 10.040 -7.318 6.304 1.00 0.00 C ATOM 696 O LEU A 50 10.710 -8.301 5.988 1.00 0.00 O ATOM 697 CB LEU A 50 10.812 -4.939 6.365 1.00 0.00 C ATOM 698 CG LEU A 50 11.829 -5.434 7.395 1.00 0.00 C ATOM 699 CD1 LEU A 50 12.909 -6.266 6.722 1.00 0.00 C ATOM 700 CD2 LEU A 50 12.445 -4.260 8.143 1.00 0.00 C ATOM 0 H LEU A 50 8.586 -4.618 5.360 1.00 0.00 H new ATOM 0 HA LEU A 50 10.747 -6.201 4.626 1.00 0.00 H new ATOM 0 HB2 LEU A 50 11.312 -4.237 5.698 1.00 0.00 H new ATOM 0 HB3 LEU A 50 10.035 -4.383 6.889 1.00 0.00 H new ATOM 0 HG LEU A 50 11.310 -6.066 8.116 1.00 0.00 H new ATOM 0 HD11 LEU A 50 13.623 -6.609 7.470 1.00 0.00 H new ATOM 0 HD12 LEU A 50 12.453 -7.127 6.233 1.00 0.00 H new ATOM 0 HD13 LEU A 50 13.426 -5.659 5.979 1.00 0.00 H new ATOM 0 HD21 LEU A 50 13.166 -4.631 8.872 1.00 0.00 H new ATOM 0 HD22 LEU A 50 12.950 -3.602 7.435 1.00 0.00 H new ATOM 0 HD23 LEU A 50 11.661 -3.705 8.658 1.00 0.00 H new ATOM 712 N GLN A 51 9.197 -7.315 7.332 1.00 0.00 N ATOM 713 CA GLN A 51 9.008 -8.495 8.166 1.00 0.00 C ATOM 714 C GLN A 51 8.369 -9.629 7.370 1.00 0.00 C ATOM 715 O GLN A 51 8.540 -10.802 7.698 1.00 0.00 O ATOM 716 CB GLN A 51 8.139 -8.155 9.379 1.00 0.00 C ATOM 717 CG GLN A 51 8.683 -7.007 10.214 1.00 0.00 C ATOM 718 CD GLN A 51 9.345 -7.479 11.493 1.00 0.00 C ATOM 719 OE1 GLN A 51 8.800 -7.313 12.585 1.00 0.00 O ATOM 720 NE2 GLN A 51 10.527 -8.071 11.366 1.00 0.00 N ATOM 0 H GLN A 51 8.635 -6.509 7.607 1.00 0.00 H new ATOM 0 HA GLN A 51 9.988 -8.825 8.511 1.00 0.00 H new ATOM 0 HB2 GLN A 51 7.136 -7.901 9.037 1.00 0.00 H new ATOM 0 HB3 GLN A 51 8.047 -9.040 10.009 1.00 0.00 H new ATOM 0 HG2 GLN A 51 9.404 -6.443 9.623 1.00 0.00 H new ATOM 0 HG3 GLN A 51 7.870 -6.325 10.461 1.00 0.00 H new ATOM 0 HE21 GLN A 51 10.942 -8.188 10.442 1.00 0.00 H new ATOM 0 HE22 GLN A 51 11.020 -8.409 12.193 1.00 0.00 H new ATOM 729 N GLN A 52 7.632 -9.268 6.324 1.00 0.00 N ATOM 730 CA GLN A 52 6.967 -10.255 5.483 1.00 0.00 C ATOM 731 C GLN A 52 7.966 -10.950 4.564 1.00 0.00 C ATOM 732 O GLN A 52 7.756 -12.090 4.149 1.00 0.00 O ATOM 733 CB GLN A 52 5.868 -9.591 4.652 1.00 0.00 C ATOM 734 CG GLN A 52 4.480 -10.151 4.919 1.00 0.00 C ATOM 735 CD GLN A 52 4.406 -11.650 4.710 1.00 0.00 C ATOM 736 OE1 GLN A 52 4.151 -12.408 5.646 1.00 0.00 O ATOM 737 NE2 GLN A 52 4.629 -12.088 3.476 1.00 0.00 N ATOM 0 H GLN A 52 7.481 -8.300 6.040 1.00 0.00 H new ATOM 0 HA GLN A 52 6.518 -11.005 6.134 1.00 0.00 H new ATOM 0 HB2 GLN A 52 5.865 -8.521 4.858 1.00 0.00 H new ATOM 0 HB3 GLN A 52 6.102 -9.711 3.594 1.00 0.00 H new ATOM 0 HG2 GLN A 52 4.188 -9.916 5.943 1.00 0.00 H new ATOM 0 HG3 GLN A 52 3.762 -9.660 4.262 1.00 0.00 H new ATOM 0 HE21 GLN A 52 4.837 -11.425 2.729 1.00 0.00 H new ATOM 0 HE22 GLN A 52 4.592 -13.087 3.275 1.00 0.00 H new ATOM 746 N LEU A 53 9.054 -10.255 4.248 1.00 0.00 N ATOM 747 CA LEU A 53 10.087 -10.804 3.377 1.00 0.00 C ATOM 748 C LEU A 53 10.895 -11.877 4.100 1.00 0.00 C ATOM 749 O LEU A 53 11.003 -13.011 3.630 1.00 0.00 O ATOM 750 CB LEU A 53 11.017 -9.691 2.891 1.00 0.00 C ATOM 751 CG LEU A 53 10.738 -9.149 1.489 1.00 0.00 C ATOM 752 CD1 LEU A 53 10.258 -10.263 0.571 1.00 0.00 C ATOM 753 CD2 LEU A 53 9.715 -8.024 1.546 1.00 0.00 C ATOM 0 H LEU A 53 9.243 -9.310 4.582 1.00 0.00 H new ATOM 0 HA LEU A 53 9.597 -11.261 2.517 1.00 0.00 H new ATOM 0 HB2 LEU A 53 10.960 -8.863 3.597 1.00 0.00 H new ATOM 0 HB3 LEU A 53 12.041 -10.063 2.918 1.00 0.00 H new ATOM 0 HG LEU A 53 11.667 -8.748 1.084 1.00 0.00 H new ATOM 0 HD11 LEU A 53 10.065 -9.858 -0.422 1.00 0.00 H new ATOM 0 HD12 LEU A 53 11.024 -11.036 0.505 1.00 0.00 H new ATOM 0 HD13 LEU A 53 9.341 -10.695 0.972 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.529 -7.650 0.539 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.784 -8.400 1.972 1.00 0.00 H new ATOM 0 HD23 LEU A 53 10.098 -7.215 2.168 1.00 0.00 H new ATOM 765 N LEU A 54 11.459 -11.513 5.247 1.00 0.00 N ATOM 766 CA LEU A 54 12.256 -12.446 6.037 1.00 0.00 C ATOM 767 C LEU A 54 11.362 -13.337 6.892 1.00 0.00 C ATOM 768 O LEU A 54 11.841 -14.242 7.576 1.00 0.00 O ATOM 769 CB LEU A 54 13.236 -11.681 6.929 1.00 0.00 C ATOM 770 CG LEU A 54 12.770 -11.411 8.360 1.00 0.00 C ATOM 771 CD1 LEU A 54 11.309 -10.988 8.375 1.00 0.00 C ATOM 772 CD2 LEU A 54 12.981 -12.640 9.231 1.00 0.00 C ATOM 0 H LEU A 54 11.379 -10.580 5.650 1.00 0.00 H new ATOM 0 HA LEU A 54 12.817 -13.079 5.350 1.00 0.00 H new ATOM 0 HB2 LEU A 54 14.170 -12.241 6.972 1.00 0.00 H new ATOM 0 HB3 LEU A 54 13.459 -10.725 6.454 1.00 0.00 H new ATOM 0 HG LEU A 54 13.367 -10.595 8.768 1.00 0.00 H new ATOM 0 HD11 LEU A 54 10.995 -10.800 9.402 1.00 0.00 H new ATOM 0 HD12 LEU A 54 11.187 -10.079 7.786 1.00 0.00 H new ATOM 0 HD13 LEU A 54 10.696 -11.782 7.948 1.00 0.00 H new ATOM 0 HD21 LEU A 54 12.644 -12.429 10.246 1.00 0.00 H new ATOM 0 HD22 LEU A 54 12.411 -13.476 8.825 1.00 0.00 H new ATOM 0 HD23 LEU A 54 14.040 -12.897 9.247 1.00 0.00 H new ATOM 784 N ASP A 55 10.060 -13.077 6.848 1.00 0.00 N ATOM 785 CA ASP A 55 9.097 -13.857 7.617 1.00 0.00 C ATOM 786 C ASP A 55 9.351 -15.352 7.447 1.00 0.00 C ATOM 787 O ASP A 55 9.400 -15.861 6.328 1.00 0.00 O ATOM 788 CB ASP A 55 7.670 -13.517 7.183 1.00 0.00 C ATOM 789 CG ASP A 55 6.745 -13.290 8.363 1.00 0.00 C ATOM 790 OD1 ASP A 55 6.965 -12.314 9.109 1.00 0.00 O ATOM 791 OD2 ASP A 55 5.802 -14.090 8.540 1.00 0.00 O ATOM 0 H ASP A 55 9.647 -12.332 6.288 1.00 0.00 H new ATOM 0 HA ASP A 55 9.218 -13.603 8.670 1.00 0.00 H new ATOM 0 HB2 ASP A 55 7.686 -12.623 6.560 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.278 -14.327 6.568 1.00 0.00 H new ATOM 796 N GLY A 56 9.512 -16.051 8.567 1.00 0.00 N ATOM 797 CA GLY A 56 9.760 -17.480 8.520 1.00 0.00 C ATOM 798 C GLY A 56 10.603 -17.960 9.685 1.00 0.00 C ATOM 799 O GLY A 56 10.652 -19.156 9.972 1.00 0.00 O ATOM 0 H GLY A 56 9.475 -15.653 9.505 1.00 0.00 H new ATOM 0 HA2 GLY A 56 8.808 -18.011 8.521 1.00 0.00 H new ATOM 0 HA3 GLY A 56 10.263 -17.728 7.585 1.00 0.00 H new ATOM 803 N SER A 57 11.268 -17.026 10.357 1.00 0.00 N ATOM 804 CA SER A 57 12.117 -17.362 11.494 1.00 0.00 C ATOM 805 C SER A 57 11.695 -16.582 12.736 1.00 0.00 C ATOM 806 O SER A 57 11.743 -17.097 13.852 1.00 0.00 O ATOM 807 CB SER A 57 13.583 -17.068 11.167 1.00 0.00 C ATOM 808 OG SER A 57 13.728 -15.785 10.584 1.00 0.00 O ATOM 0 H SER A 57 11.235 -16.031 10.134 1.00 0.00 H new ATOM 0 HA SER A 57 12.004 -18.427 11.699 1.00 0.00 H new ATOM 0 HB2 SER A 57 14.181 -17.127 12.077 1.00 0.00 H new ATOM 0 HB3 SER A 57 13.966 -17.827 10.484 1.00 0.00 H new ATOM 0 HG SER A 57 14.640 -15.683 10.241 1.00 0.00 H new ATOM 814 N GLY A 58 11.281 -15.335 12.532 1.00 0.00 N ATOM 815 CA GLY A 58 10.857 -14.503 13.643 1.00 0.00 C ATOM 816 C GLY A 58 12.019 -13.809 14.324 1.00 0.00 C ATOM 817 O GLY A 58 12.690 -14.395 15.175 1.00 0.00 O ATOM 0 H GLY A 58 11.232 -14.886 11.617 1.00 0.00 H new ATOM 0 HA2 GLY A 58 10.151 -13.754 13.284 1.00 0.00 H new ATOM 0 HA3 GLY A 58 10.327 -15.117 14.371 1.00 0.00 H new ATOM 821 N LEU A 59 12.259 -12.557 13.951 1.00 0.00 N ATOM 822 CA LEU A 59 13.350 -11.782 14.531 1.00 0.00 C ATOM 823 C LEU A 59 12.923 -10.338 14.775 1.00 0.00 C ATOM 824 O LEU A 59 11.825 -9.933 14.393 1.00 0.00 O ATOM 825 CB LEU A 59 14.572 -11.816 13.611 1.00 0.00 C ATOM 826 CG LEU A 59 15.410 -13.094 13.655 1.00 0.00 C ATOM 827 CD1 LEU A 59 15.010 -14.033 12.527 1.00 0.00 C ATOM 828 CD2 LEU A 59 16.893 -12.763 13.575 1.00 0.00 C ATOM 0 H LEU A 59 11.713 -12.057 13.250 1.00 0.00 H new ATOM 0 HA LEU A 59 13.612 -12.231 15.489 1.00 0.00 H new ATOM 0 HB2 LEU A 59 14.235 -11.662 12.586 1.00 0.00 H new ATOM 0 HB3 LEU A 59 15.216 -10.974 13.865 1.00 0.00 H new ATOM 0 HG LEU A 59 15.221 -13.597 14.604 1.00 0.00 H new ATOM 0 HD11 LEU A 59 15.617 -14.937 12.574 1.00 0.00 H new ATOM 0 HD12 LEU A 59 13.957 -14.297 12.629 1.00 0.00 H new ATOM 0 HD13 LEU A 59 15.169 -13.539 11.569 1.00 0.00 H new ATOM 0 HD21 LEU A 59 17.474 -13.685 13.608 1.00 0.00 H new ATOM 0 HD22 LEU A 59 17.099 -12.237 12.643 1.00 0.00 H new ATOM 0 HD23 LEU A 59 17.170 -12.129 14.417 1.00 0.00 H new ATOM 840 N GLN A 60 13.799 -9.566 15.410 1.00 0.00 N ATOM 841 CA GLN A 60 13.512 -8.167 15.703 1.00 0.00 C ATOM 842 C GLN A 60 14.348 -7.244 14.823 1.00 0.00 C ATOM 843 O GLN A 60 15.486 -7.562 14.477 1.00 0.00 O ATOM 844 CB GLN A 60 13.782 -7.866 17.178 1.00 0.00 C ATOM 845 CG GLN A 60 15.259 -7.723 17.509 1.00 0.00 C ATOM 846 CD GLN A 60 15.657 -8.502 18.747 1.00 0.00 C ATOM 847 OE1 GLN A 60 15.845 -7.930 19.821 1.00 0.00 O ATOM 848 NE2 GLN A 60 15.789 -9.816 18.604 1.00 0.00 N ATOM 0 H GLN A 60 14.713 -9.886 15.731 1.00 0.00 H new ATOM 0 HA GLN A 60 12.458 -7.987 15.490 1.00 0.00 H new ATOM 0 HB2 GLN A 60 13.266 -6.946 17.453 1.00 0.00 H new ATOM 0 HB3 GLN A 60 13.357 -8.664 17.787 1.00 0.00 H new ATOM 0 HG2 GLN A 60 15.852 -8.067 16.662 1.00 0.00 H new ATOM 0 HG3 GLN A 60 15.494 -6.669 17.656 1.00 0.00 H new ATOM 0 HE21 GLN A 60 15.624 -10.249 17.696 1.00 0.00 H new ATOM 0 HE22 GLN A 60 16.056 -10.392 19.403 1.00 0.00 H new ATOM 857 N VAL A 61 13.776 -6.099 14.462 1.00 0.00 N ATOM 858 CA VAL A 61 14.468 -5.130 13.622 1.00 0.00 C ATOM 859 C VAL A 61 14.541 -3.767 14.302 1.00 0.00 C ATOM 860 O VAL A 61 13.516 -3.148 14.588 1.00 0.00 O ATOM 861 CB VAL A 61 13.775 -4.974 12.256 1.00 0.00 C ATOM 862 CG1 VAL A 61 14.702 -4.291 11.262 1.00 0.00 C ATOM 863 CG2 VAL A 61 13.322 -6.328 11.731 1.00 0.00 C ATOM 0 H VAL A 61 12.835 -5.821 14.739 1.00 0.00 H new ATOM 0 HA VAL A 61 15.478 -5.510 13.466 1.00 0.00 H new ATOM 0 HB VAL A 61 12.893 -4.346 12.385 1.00 0.00 H new ATOM 0 HG11 VAL A 61 14.195 -4.189 10.302 1.00 0.00 H new ATOM 0 HG12 VAL A 61 14.972 -3.303 11.636 1.00 0.00 H new ATOM 0 HG13 VAL A 61 15.604 -4.890 11.134 1.00 0.00 H new ATOM 0 HG21 VAL A 61 12.834 -6.199 10.765 1.00 0.00 H new ATOM 0 HG22 VAL A 61 14.187 -6.982 11.617 1.00 0.00 H new ATOM 0 HG23 VAL A 61 12.620 -6.775 12.435 1.00 0.00 H new ATOM 873 N LYS A 62 15.759 -3.303 14.558 1.00 0.00 N ATOM 874 CA LYS A 62 15.968 -2.012 15.202 1.00 0.00 C ATOM 875 C LYS A 62 16.919 -1.144 14.386 1.00 0.00 C ATOM 876 O LYS A 62 17.928 -1.613 13.858 1.00 0.00 O ATOM 877 CB LYS A 62 16.524 -2.208 16.615 1.00 0.00 C ATOM 878 CG LYS A 62 17.632 -3.244 16.694 1.00 0.00 C ATOM 879 CD LYS A 62 17.104 -4.591 17.159 1.00 0.00 C ATOM 880 CE LYS A 62 17.152 -4.715 18.674 1.00 0.00 C ATOM 881 NZ LYS A 62 18.415 -5.354 19.138 1.00 0.00 N ATOM 0 H LYS A 62 16.618 -3.803 14.329 1.00 0.00 H new ATOM 0 HA LYS A 62 15.005 -1.505 15.264 1.00 0.00 H new ATOM 0 HB2 LYS A 62 16.903 -1.254 16.983 1.00 0.00 H new ATOM 0 HB3 LYS A 62 15.712 -2.506 17.278 1.00 0.00 H new ATOM 0 HG2 LYS A 62 18.099 -3.354 15.715 1.00 0.00 H new ATOM 0 HG3 LYS A 62 18.406 -2.899 17.380 1.00 0.00 H new ATOM 0 HD2 LYS A 62 16.078 -4.719 16.815 1.00 0.00 H new ATOM 0 HD3 LYS A 62 17.694 -5.389 16.709 1.00 0.00 H new ATOM 0 HE2 LYS A 62 17.059 -3.726 19.123 1.00 0.00 H new ATOM 0 HE3 LYS A 62 16.300 -5.302 19.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 18.410 -5.420 20.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 18.492 -6.308 18.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 19.227 -4.781 18.832 1.00 0.00 H new ATOM 895 N PRO A 63 16.594 0.153 14.279 1.00 0.00 N ATOM 896 CA PRO A 63 17.408 1.114 13.530 1.00 0.00 C ATOM 897 C PRO A 63 18.740 1.404 14.214 1.00 0.00 C ATOM 898 O PRO A 63 18.901 1.160 15.411 1.00 0.00 O ATOM 899 CB PRO A 63 16.537 2.372 13.502 1.00 0.00 C ATOM 900 CG PRO A 63 15.660 2.252 14.701 1.00 0.00 C ATOM 901 CD PRO A 63 15.406 0.781 14.882 1.00 0.00 C ATOM 0 HA PRO A 63 17.672 0.740 12.541 1.00 0.00 H new ATOM 0 HB2 PRO A 63 17.145 3.276 13.545 1.00 0.00 H new ATOM 0 HB3 PRO A 63 15.949 2.427 12.586 1.00 0.00 H new ATOM 0 HG2 PRO A 63 16.143 2.676 15.582 1.00 0.00 H new ATOM 0 HG3 PRO A 63 14.726 2.795 14.557 1.00 0.00 H new ATOM 0 HD2 PRO A 63 15.303 0.518 15.935 1.00 0.00 H new ATOM 0 HD3 PRO A 63 14.489 0.467 14.384 1.00 0.00 H new ATOM 909 N LEU A 64 19.692 1.926 13.449 1.00 0.00 N ATOM 910 CA LEU A 64 21.011 2.250 13.982 1.00 0.00 C ATOM 911 C LEU A 64 21.273 3.751 13.913 1.00 0.00 C ATOM 912 O LEU A 64 21.550 4.390 14.927 1.00 0.00 O ATOM 913 CB LEU A 64 22.094 1.495 13.210 1.00 0.00 C ATOM 914 CG LEU A 64 21.703 0.115 12.679 1.00 0.00 C ATOM 915 CD1 LEU A 64 22.806 -0.451 11.799 1.00 0.00 C ATOM 916 CD2 LEU A 64 21.397 -0.832 13.831 1.00 0.00 C ATOM 0 H LEU A 64 19.575 2.134 12.457 1.00 0.00 H new ATOM 0 HA LEU A 64 21.039 1.943 15.028 1.00 0.00 H new ATOM 0 HB2 LEU A 64 22.407 2.111 12.367 1.00 0.00 H new ATOM 0 HB3 LEU A 64 22.961 1.380 13.860 1.00 0.00 H new ATOM 0 HG LEU A 64 20.803 0.221 12.073 1.00 0.00 H new ATOM 0 HD11 LEU A 64 22.510 -1.433 11.431 1.00 0.00 H new ATOM 0 HD12 LEU A 64 22.977 0.217 10.955 1.00 0.00 H new ATOM 0 HD13 LEU A 64 23.724 -0.543 12.380 1.00 0.00 H new ATOM 0 HD21 LEU A 64 21.121 -1.809 13.435 1.00 0.00 H new ATOM 0 HD22 LEU A 64 22.279 -0.933 14.463 1.00 0.00 H new ATOM 0 HD23 LEU A 64 20.572 -0.433 14.421 1.00 0.00 H new ATOM 928 N GLY A 65 21.180 4.308 12.709 1.00 0.00 N ATOM 929 CA GLY A 65 21.408 5.730 12.530 1.00 0.00 C ATOM 930 C GLY A 65 20.219 6.433 11.906 1.00 0.00 C ATOM 931 O GLY A 65 19.157 6.535 12.520 1.00 0.00 O ATOM 0 H GLY A 65 20.951 3.800 11.855 1.00 0.00 H new ATOM 0 HA2 GLY A 65 21.629 6.184 13.496 1.00 0.00 H new ATOM 0 HA3 GLY A 65 22.285 5.878 11.900 1.00 0.00 H new ATOM 935 N ASN A 66 20.397 6.922 10.683 1.00 0.00 N ATOM 936 CA ASN A 66 19.331 7.622 9.977 1.00 0.00 C ATOM 937 C ASN A 66 18.177 6.676 9.659 1.00 0.00 C ATOM 938 O ASN A 66 17.174 6.644 10.371 1.00 0.00 O ATOM 939 CB ASN A 66 19.868 8.241 8.685 1.00 0.00 C ATOM 940 CG ASN A 66 18.796 8.987 7.913 1.00 0.00 C ATOM 941 OD1 ASN A 66 18.344 10.054 8.329 1.00 0.00 O ATOM 942 ND2 ASN A 66 18.385 8.427 6.781 1.00 0.00 N ATOM 0 H ASN A 66 21.270 6.846 10.161 1.00 0.00 H new ATOM 0 HA ASN A 66 18.959 8.415 10.625 1.00 0.00 H new ATOM 0 HB2 ASN A 66 20.682 8.925 8.924 1.00 0.00 H new ATOM 0 HB3 ASN A 66 20.286 7.456 8.055 1.00 0.00 H new ATOM 0 HD21 ASN A 66 17.667 8.883 6.218 1.00 0.00 H new ATOM 0 HD22 ASN A 66 18.788 7.541 6.475 1.00 0.00 H new ATOM 949 N ASN A 67 18.327 5.907 8.585 1.00 0.00 N ATOM 950 CA ASN A 67 17.298 4.960 8.173 1.00 0.00 C ATOM 951 C ASN A 67 17.883 3.563 7.997 1.00 0.00 C ATOM 952 O ASN A 67 17.382 2.763 7.206 1.00 0.00 O ATOM 953 CB ASN A 67 16.645 5.421 6.867 1.00 0.00 C ATOM 954 CG ASN A 67 15.135 5.284 6.896 1.00 0.00 C ATOM 955 OD1 ASN A 67 14.598 4.336 7.468 1.00 0.00 O ATOM 956 ND2 ASN A 67 14.444 6.233 6.276 1.00 0.00 N ATOM 0 H ASN A 67 19.151 5.921 7.985 1.00 0.00 H new ATOM 0 HA ASN A 67 16.541 4.921 8.956 1.00 0.00 H new ATOM 0 HB2 ASN A 67 16.909 6.462 6.679 1.00 0.00 H new ATOM 0 HB3 ASN A 67 17.044 4.836 6.038 1.00 0.00 H new ATOM 0 HD21 ASN A 67 13.425 6.194 6.261 1.00 0.00 H new ATOM 0 HD22 ASN A 67 14.932 7.001 5.815 1.00 0.00 H new ATOM 963 N SER A 68 18.947 3.275 8.739 1.00 0.00 N ATOM 964 CA SER A 68 19.604 1.975 8.663 1.00 0.00 C ATOM 965 C SER A 68 19.045 1.022 9.715 1.00 0.00 C ATOM 966 O SER A 68 19.171 1.262 10.916 1.00 0.00 O ATOM 967 CB SER A 68 21.114 2.131 8.850 1.00 0.00 C ATOM 968 OG SER A 68 21.436 3.418 9.347 1.00 0.00 O ATOM 0 H SER A 68 19.373 3.924 9.400 1.00 0.00 H new ATOM 0 HA SER A 68 19.409 1.554 7.677 1.00 0.00 H new ATOM 0 HB2 SER A 68 21.479 1.370 9.540 1.00 0.00 H new ATOM 0 HB3 SER A 68 21.620 1.968 7.899 1.00 0.00 H new ATOM 0 HG SER A 68 22.407 3.492 9.459 1.00 0.00 H new ATOM 974 N TRP A 69 18.427 -0.060 9.255 1.00 0.00 N ATOM 975 CA TRP A 69 17.848 -1.050 10.156 1.00 0.00 C ATOM 976 C TRP A 69 18.608 -2.370 10.074 1.00 0.00 C ATOM 977 O TRP A 69 19.144 -2.726 9.024 1.00 0.00 O ATOM 978 CB TRP A 69 16.373 -1.275 9.820 1.00 0.00 C ATOM 979 CG TRP A 69 15.529 -0.050 10.002 1.00 0.00 C ATOM 980 CD1 TRP A 69 15.737 1.179 9.444 1.00 0.00 C ATOM 981 CD2 TRP A 69 14.345 0.065 10.799 1.00 0.00 C ATOM 982 NE1 TRP A 69 14.754 2.051 9.845 1.00 0.00 N ATOM 983 CE2 TRP A 69 13.887 1.391 10.676 1.00 0.00 C ATOM 984 CE3 TRP A 69 13.626 -0.824 11.602 1.00 0.00 C ATOM 985 CZ2 TRP A 69 12.744 1.847 11.328 1.00 0.00 C ATOM 986 CZ3 TRP A 69 12.492 -0.370 12.248 1.00 0.00 C ATOM 987 CH2 TRP A 69 12.060 0.955 12.108 1.00 0.00 C ATOM 0 H TRP A 69 18.314 -0.274 8.264 1.00 0.00 H new ATOM 0 HA TRP A 69 17.927 -0.669 11.174 1.00 0.00 H new ATOM 0 HB2 TRP A 69 16.291 -1.614 8.787 1.00 0.00 H new ATOM 0 HB3 TRP A 69 15.982 -2.074 10.450 1.00 0.00 H new ATOM 0 HD1 TRP A 69 16.555 1.429 8.784 1.00 0.00 H new ATOM 0 HE1 TRP A 69 14.681 3.030 9.569 1.00 0.00 H new ATOM 0 HE3 TRP A 69 13.951 -1.848 11.716 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 12.409 2.868 11.222 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 11.929 -1.049 12.872 1.00 0.00 H new ATOM 0 HH2 TRP A 69 11.169 1.279 12.626 1.00 0.00 H new ATOM 998 N THR A 70 18.650 -3.094 11.189 1.00 0.00 N ATOM 999 CA THR A 70 19.344 -4.374 11.243 1.00 0.00 C ATOM 1000 C THR A 70 18.484 -5.438 11.914 1.00 0.00 C ATOM 1001 O THR A 70 17.577 -5.123 12.685 1.00 0.00 O ATOM 1002 CB THR A 70 20.680 -4.257 12.001 1.00 0.00 C ATOM 1003 OG1 THR A 70 21.419 -5.478 11.884 1.00 0.00 O ATOM 1004 CG2 THR A 70 20.443 -3.941 13.470 1.00 0.00 C ATOM 0 H THR A 70 18.211 -2.815 12.066 1.00 0.00 H new ATOM 0 HA THR A 70 19.544 -4.669 10.213 1.00 0.00 H new ATOM 0 HB THR A 70 21.253 -3.442 11.558 1.00 0.00 H new ATOM 0 HG1 THR A 70 21.614 -5.653 10.940 1.00 0.00 H new ATOM 0 HG21 THR A 70 21.401 -3.863 13.985 1.00 0.00 H new ATOM 0 HG22 THR A 70 19.907 -2.996 13.557 1.00 0.00 H new ATOM 0 HG23 THR A 70 19.852 -4.737 13.923 1.00 0.00 H new ATOM 1012 N LEU A 71 18.774 -6.700 11.617 1.00 0.00 N ATOM 1013 CA LEU A 71 18.027 -7.813 12.194 1.00 0.00 C ATOM 1014 C LEU A 71 18.810 -8.465 13.329 1.00 0.00 C ATOM 1015 O LEU A 71 20.034 -8.571 13.269 1.00 0.00 O ATOM 1016 CB LEU A 71 17.708 -8.851 11.116 1.00 0.00 C ATOM 1017 CG LEU A 71 16.307 -8.779 10.508 1.00 0.00 C ATOM 1018 CD1 LEU A 71 15.257 -9.163 11.538 1.00 0.00 C ATOM 1019 CD2 LEU A 71 16.035 -7.385 9.960 1.00 0.00 C ATOM 0 H LEU A 71 19.521 -6.978 10.980 1.00 0.00 H new ATOM 0 HA LEU A 71 17.094 -7.421 12.600 1.00 0.00 H new ATOM 0 HB2 LEU A 71 18.437 -8.746 10.312 1.00 0.00 H new ATOM 0 HB3 LEU A 71 17.846 -9.844 11.544 1.00 0.00 H new ATOM 0 HG LEU A 71 16.253 -9.489 9.683 1.00 0.00 H new ATOM 0 HD11 LEU A 71 14.267 -9.106 11.087 1.00 0.00 H new ATOM 0 HD12 LEU A 71 15.440 -10.181 11.883 1.00 0.00 H new ATOM 0 HD13 LEU A 71 15.310 -8.478 12.384 1.00 0.00 H new ATOM 0 HD21 LEU A 71 15.034 -7.352 9.531 1.00 0.00 H new ATOM 0 HD22 LEU A 71 16.108 -6.656 10.767 1.00 0.00 H new ATOM 0 HD23 LEU A 71 16.768 -7.148 9.189 1.00 0.00 H new ATOM 1031 N GLU A 72 18.094 -8.902 14.360 1.00 0.00 N ATOM 1032 CA GLU A 72 18.723 -9.545 15.508 1.00 0.00 C ATOM 1033 C GLU A 72 17.896 -10.736 15.984 1.00 0.00 C ATOM 1034 O GLU A 72 16.695 -10.831 15.732 1.00 0.00 O ATOM 1035 CB GLU A 72 18.898 -8.542 16.650 1.00 0.00 C ATOM 1036 CG GLU A 72 20.127 -7.662 16.503 1.00 0.00 C ATOM 1037 CD GLU A 72 21.415 -8.461 16.459 1.00 0.00 C ATOM 1038 OE1 GLU A 72 21.827 -8.863 15.351 1.00 0.00 O ATOM 1039 OE2 GLU A 72 22.011 -8.684 17.533 1.00 0.00 O ATOM 0 H GLU A 72 17.079 -8.823 14.424 1.00 0.00 H new ATOM 0 HA GLU A 72 19.704 -9.906 15.198 1.00 0.00 H new ATOM 0 HB2 GLU A 72 18.012 -7.909 16.705 1.00 0.00 H new ATOM 0 HB3 GLU A 72 18.961 -9.085 17.593 1.00 0.00 H new ATOM 0 HG2 GLU A 72 20.039 -7.071 15.591 1.00 0.00 H new ATOM 0 HG3 GLU A 72 20.168 -6.960 17.335 1.00 0.00 H new