USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 679 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 66 ASN :FLIP amide:sc= -6.96! C(o=-16!,f=-8.4!) USER MOD Set 1.2: A 69 THR OG1 : rot 180:sc= -1.61! USER MOD Set 1.3: A 71 THR OG1 : rot 103:sc= 0.168 USER MOD Set 2.1: A 62 GLN :FLIP amide:sc= -2 F(o=-9.1!,f=-6.9) USER MOD Set 2.2: A 77 LYS NZ :NH3+ -170:sc= -4.87! (180deg=-4.9!) USER MOD Set 3.1: A 58 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 59 ASN : amide:sc= 0 X(o=0,f=-0.08) USER MOD Set 4.1: A 1 GLN : amide:sc= -0.436 X(o=-9,f=-8.8) USER MOD Set 4.2: A 48 ASN : amide:sc= -8.52! C(o=-9!,f=-13!) USER MOD Single : A 1 GLN N :NH3+ 174:sc= -0.158 (180deg=-0.211) USER MOD Single : A 3 TYR OH : rot 27:sc= 0.84 USER MOD Single : A 7 ASN : amide:sc= -2.1! C(o=-2.1!,f=-16!) USER MOD Single : A 8 GLN : amide:sc= -0.0127 X(o=-0.013,f=-0.43) USER MOD Single : A 9 SER OG : rot 180:sc= -0.612 USER MOD Single : A 11 LYS NZ :NH3+ 153:sc= -0.246 (180deg=-1.1) USER MOD Single : A 13 ASN : amide:sc= -2.02 K(o=-2,f=-12!) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 19 LYS NZ :NH3+ -159:sc= -0.126 (180deg=-0.897) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= -0.436 X(o=-0.44,f=-0.41) USER MOD Single : A 26 ASN : amide:sc= -0.0537 X(o=-0.054,f=0.22) USER MOD Single : A 27 SER OG : rot -130:sc= -0.371 USER MOD Single : A 30 LYS NZ :NH3+ -171:sc=-0.000376 (180deg=-0.0926) USER MOD Single : A 31 THR OG1 : rot -170:sc= 1.19 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= -2.04 (180deg=-2.04) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 GLN :FLIP amide:sc= -1.65 F(o=-2.9,f=-1.6) USER MOD Single : A 45 SER OG : rot -76:sc= 0.871 USER MOD Single : A 49 THR OG1 : rot -124:sc= 0.676! USER MOD Single : A 54 THR OG1 : rot -87:sc= 0.255 USER MOD Single : A 56 TYR OH : rot 180:sc= -0.564 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ -142:sc= -0.0176 (180deg=-0.467) USER MOD Single : A 68 LYS NZ :NH3+ -150:sc= -0.211 (180deg=-1.05) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.0334 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 171:sc= -0.805! (180deg=-0.979) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.0339 USER MOD Single : A 87 THR OG1 : rot -26:sc= 0.346 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 3.980 4.519 1.389 1.00 1.00 N ATOM 2 CA GLN A 1 2.737 4.789 0.676 1.00 1.00 C ATOM 3 C GLN A 1 1.857 3.538 0.684 1.00 1.00 C ATOM 4 O GLN A 1 0.809 3.499 0.039 1.00 1.00 O ATOM 5 CB GLN A 1 3.049 5.239 -0.776 1.00 1.00 C ATOM 6 CG GLN A 1 2.473 6.638 -1.040 1.00 1.00 C ATOM 7 CD GLN A 1 0.949 6.588 -0.988 1.00 1.00 C ATOM 8 OE1 GLN A 1 0.329 5.789 -1.690 1.00 1.00 O ATOM 9 NE2 GLN A 1 0.302 7.395 -0.190 1.00 1.00 N ATOM 0 H1 GLN A 1 4.618 5.335 1.296 1.00 1.00 H new ATOM 0 H2 GLN A 1 3.774 4.354 2.395 1.00 1.00 H new ATOM 0 H3 GLN A 1 4.435 3.675 0.986 1.00 1.00 H new ATOM 0 HA GLN A 1 2.197 5.594 1.174 1.00 1.00 H new ATOM 0 HB2 GLN A 1 4.127 5.247 -0.937 1.00 1.00 H new ATOM 0 HB3 GLN A 1 2.626 4.526 -1.483 1.00 1.00 H new ATOM 0 HG2 GLN A 1 2.848 7.342 -0.297 1.00 1.00 H new ATOM 0 HG3 GLN A 1 2.801 6.998 -2.015 1.00 1.00 H new ATOM 0 HE21 GLN A 1 0.816 8.057 0.392 1.00 1.00 H new ATOM 0 HE22 GLN A 1 -0.717 7.363 -0.149 1.00 1.00 H new ATOM 18 N CYS A 2 2.295 2.520 1.428 1.00 1.00 N ATOM 19 CA CYS A 2 1.548 1.264 1.531 1.00 1.00 C ATOM 20 C CYS A 2 1.337 0.890 3.001 1.00 1.00 C ATOM 21 O CYS A 2 1.882 1.532 3.899 1.00 1.00 O ATOM 22 CB CYS A 2 2.301 0.134 0.820 1.00 1.00 C ATOM 23 SG CYS A 2 2.847 0.679 -0.822 1.00 1.00 S ATOM 0 H CYS A 2 3.161 2.540 1.967 1.00 1.00 H new ATOM 0 HA CYS A 2 0.578 1.403 1.053 1.00 1.00 H new ATOM 0 HB2 CYS A 2 3.162 -0.169 1.415 1.00 1.00 H new ATOM 0 HB3 CYS A 2 1.656 -0.739 0.725 1.00 1.00 H new ATOM 28 N TYR A 3 0.533 -0.148 3.234 1.00 1.00 N ATOM 29 CA TYR A 3 0.252 -0.593 4.603 1.00 1.00 C ATOM 30 C TYR A 3 0.111 -2.108 4.680 1.00 1.00 C ATOM 31 O TYR A 3 -0.574 -2.729 3.867 1.00 1.00 O ATOM 32 CB TYR A 3 -1.019 0.083 5.129 1.00 1.00 C ATOM 33 CG TYR A 3 -2.238 -0.496 4.455 1.00 1.00 C ATOM 34 CD1 TYR A 3 -2.708 0.050 3.255 1.00 1.00 C ATOM 35 CD2 TYR A 3 -2.902 -1.576 5.042 1.00 1.00 C ATOM 36 CE1 TYR A 3 -3.846 -0.489 2.643 1.00 1.00 C ATOM 37 CE2 TYR A 3 -4.038 -2.115 4.431 1.00 1.00 C ATOM 38 CZ TYR A 3 -4.511 -1.572 3.231 1.00 1.00 C ATOM 39 OH TYR A 3 -5.632 -2.103 2.632 1.00 1.00 O ATOM 0 H TYR A 3 0.070 -0.691 2.505 1.00 1.00 H new ATOM 0 HA TYR A 3 1.097 -0.304 5.228 1.00 1.00 H new ATOM 0 HB2 TYR A 3 -1.092 -0.054 6.208 1.00 1.00 H new ATOM 0 HB3 TYR A 3 -0.970 1.157 4.947 1.00 1.00 H new ATOM 0 HD1 TYR A 3 -2.194 0.885 2.802 1.00 1.00 H new ATOM 0 HD2 TYR A 3 -2.537 -1.995 5.968 1.00 1.00 H new ATOM 0 HE1 TYR A 3 -4.211 -0.069 1.717 1.00 1.00 H new ATOM 0 HE2 TYR A 3 -4.550 -2.950 4.885 1.00 1.00 H new ATOM 0 HH TYR A 3 -5.593 -1.943 1.666 1.00 1.00 H new ATOM 49 N PHE A 4 0.785 -2.687 5.671 1.00 1.00 N ATOM 50 CA PHE A 4 0.768 -4.133 5.879 1.00 1.00 C ATOM 51 C PHE A 4 -0.263 -4.529 6.926 1.00 1.00 C ATOM 52 O PHE A 4 -0.495 -3.806 7.895 1.00 1.00 O ATOM 53 CB PHE A 4 2.143 -4.598 6.353 1.00 1.00 C ATOM 54 CG PHE A 4 3.193 -4.192 5.351 1.00 1.00 C ATOM 55 CD1 PHE A 4 3.830 -2.953 5.472 1.00 1.00 C ATOM 56 CD2 PHE A 4 3.531 -5.054 4.300 1.00 1.00 C ATOM 57 CE1 PHE A 4 4.806 -2.573 4.544 1.00 1.00 C ATOM 58 CE2 PHE A 4 4.506 -4.674 3.371 1.00 1.00 C ATOM 59 CZ PHE A 4 5.144 -3.433 3.492 1.00 1.00 C ATOM 0 H PHE A 4 1.352 -2.174 6.346 1.00 1.00 H new ATOM 0 HA PHE A 4 0.508 -4.604 4.931 1.00 1.00 H new ATOM 0 HB2 PHE A 4 2.369 -4.163 7.326 1.00 1.00 H new ATOM 0 HB3 PHE A 4 2.147 -5.681 6.479 1.00 1.00 H new ATOM 0 HD1 PHE A 4 3.568 -2.289 6.282 1.00 1.00 H new ATOM 0 HD2 PHE A 4 3.040 -6.011 4.207 1.00 1.00 H new ATOM 0 HE1 PHE A 4 5.298 -1.617 4.639 1.00 1.00 H new ATOM 0 HE2 PHE A 4 4.767 -5.338 2.560 1.00 1.00 H new ATOM 0 HZ PHE A 4 5.896 -3.140 2.774 1.00 1.00 H new ATOM 69 N ILE A 5 -0.868 -5.701 6.729 1.00 1.00 N ATOM 70 CA ILE A 5 -1.868 -6.227 7.663 1.00 1.00 C ATOM 71 C ILE A 5 -1.318 -7.497 8.328 1.00 1.00 C ATOM 72 O ILE A 5 -0.778 -8.363 7.638 1.00 1.00 O ATOM 73 CB ILE A 5 -3.167 -6.576 6.910 1.00 1.00 C ATOM 74 CG1 ILE A 5 -3.491 -5.486 5.877 1.00 1.00 C ATOM 75 CG2 ILE A 5 -4.330 -6.699 7.900 1.00 1.00 C ATOM 76 CD1 ILE A 5 -4.658 -5.943 5.000 1.00 1.00 C ATOM 0 H ILE A 5 -0.683 -6.306 5.929 1.00 1.00 H new ATOM 0 HA ILE A 5 -2.083 -5.470 8.417 1.00 1.00 H new ATOM 0 HB ILE A 5 -3.026 -7.527 6.396 1.00 1.00 H new ATOM 0 HG12 ILE A 5 -3.746 -4.555 6.383 1.00 1.00 H new ATOM 0 HG13 ILE A 5 -2.616 -5.284 5.259 1.00 1.00 H new ATOM 0 HG21 ILE A 5 -5.244 -6.946 7.359 1.00 1.00 H new ATOM 0 HG22 ILE A 5 -4.112 -7.486 8.622 1.00 1.00 H new ATOM 0 HG23 ILE A 5 -4.463 -5.753 8.424 1.00 1.00 H new ATOM 0 HD11 ILE A 5 -4.887 -5.169 4.267 1.00 1.00 H new ATOM 0 HD12 ILE A 5 -4.386 -6.863 4.483 1.00 1.00 H new ATOM 0 HD13 ILE A 5 -5.533 -6.123 5.624 1.00 1.00 H new ATOM 88 N PRO A 6 -1.442 -7.653 9.627 1.00 1.00 N ATOM 89 CA PRO A 6 -0.938 -8.872 10.315 1.00 1.00 C ATOM 90 C PRO A 6 -1.862 -10.055 10.052 1.00 1.00 C ATOM 91 O PRO A 6 -2.952 -10.149 10.618 1.00 1.00 O ATOM 92 CB PRO A 6 -0.934 -8.474 11.794 1.00 1.00 C ATOM 93 CG PRO A 6 -2.033 -7.468 11.914 1.00 1.00 C ATOM 94 CD PRO A 6 -2.061 -6.713 10.578 1.00 1.00 C ATOM 0 HA PRO A 6 0.046 -9.188 9.970 1.00 1.00 H new ATOM 0 HB2 PRO A 6 -1.113 -9.336 12.437 1.00 1.00 H new ATOM 0 HB3 PRO A 6 0.026 -8.050 12.088 1.00 1.00 H new ATOM 0 HG2 PRO A 6 -2.989 -7.955 12.107 1.00 1.00 H new ATOM 0 HG3 PRO A 6 -1.849 -6.786 12.744 1.00 1.00 H new ATOM 0 HD2 PRO A 6 -3.079 -6.459 10.284 1.00 1.00 H new ATOM 0 HD3 PRO A 6 -1.504 -5.778 10.636 1.00 1.00 H new ATOM 102 N ASN A 7 -1.410 -10.952 9.187 1.00 1.00 N ATOM 103 CA ASN A 7 -2.180 -12.125 8.838 1.00 1.00 C ATOM 104 C ASN A 7 -2.758 -12.780 10.085 1.00 1.00 C ATOM 105 O ASN A 7 -2.019 -13.190 10.981 1.00 1.00 O ATOM 106 CB ASN A 7 -1.257 -13.097 8.124 1.00 1.00 C ATOM 107 CG ASN A 7 -2.028 -14.310 7.655 1.00 1.00 C ATOM 108 OD1 ASN A 7 -3.249 -14.262 7.521 1.00 1.00 O ATOM 109 ND2 ASN A 7 -1.377 -15.401 7.392 1.00 1.00 N ATOM 0 H ASN A 7 -0.508 -10.884 8.715 1.00 1.00 H new ATOM 0 HA ASN A 7 -3.012 -11.842 8.193 1.00 1.00 H new ATOM 0 HB2 ASN A 7 -0.789 -12.604 7.272 1.00 1.00 H new ATOM 0 HB3 ASN A 7 -0.455 -13.405 8.794 1.00 1.00 H new ATOM 0 HD21 ASN A 7 -1.878 -16.229 7.071 1.00 1.00 H new ATOM 0 HD22 ASN A 7 -0.364 -15.431 7.506 1.00 1.00 H new ATOM 116 N GLN A 8 -4.083 -12.870 10.141 1.00 1.00 N ATOM 117 CA GLN A 8 -4.744 -13.466 11.286 1.00 1.00 C ATOM 118 C GLN A 8 -4.721 -14.982 11.162 1.00 1.00 C ATOM 119 O GLN A 8 -5.122 -15.695 12.082 1.00 1.00 O ATOM 120 CB GLN A 8 -6.194 -12.982 11.372 1.00 1.00 C ATOM 121 CG GLN A 8 -6.229 -11.457 11.518 1.00 1.00 C ATOM 122 CD GLN A 8 -5.567 -11.032 12.825 1.00 1.00 C ATOM 123 OE1 GLN A 8 -5.837 -11.610 13.878 1.00 1.00 O ATOM 124 NE2 GLN A 8 -4.714 -10.043 12.821 1.00 1.00 N ATOM 0 H GLN A 8 -4.713 -12.539 9.410 1.00 1.00 H new ATOM 0 HA GLN A 8 -4.215 -13.167 12.191 1.00 1.00 H new ATOM 0 HB2 GLN A 8 -6.740 -13.283 10.478 1.00 1.00 H new ATOM 0 HB3 GLN A 8 -6.692 -13.449 12.222 1.00 1.00 H new ATOM 0 HG2 GLN A 8 -5.716 -10.993 10.676 1.00 1.00 H new ATOM 0 HG3 GLN A 8 -7.261 -11.107 11.495 1.00 1.00 H new ATOM 0 HE21 GLN A 8 -4.491 -9.565 11.948 1.00 1.00 H new ATOM 0 HE22 GLN A 8 -4.270 -9.749 13.691 1.00 1.00 H new ATOM 133 N SER A 9 -4.254 -15.474 10.012 1.00 1.00 N ATOM 134 CA SER A 9 -4.187 -16.909 9.770 1.00 1.00 C ATOM 135 C SER A 9 -2.895 -17.498 10.313 1.00 1.00 C ATOM 136 O SER A 9 -1.958 -16.775 10.651 1.00 1.00 O ATOM 137 CB SER A 9 -4.263 -17.183 8.261 1.00 1.00 C ATOM 138 OG SER A 9 -5.315 -18.103 8.004 1.00 1.00 O ATOM 0 H SER A 9 -3.919 -14.899 9.239 1.00 1.00 H new ATOM 0 HA SER A 9 -5.028 -17.376 10.282 1.00 1.00 H new ATOM 0 HB2 SER A 9 -4.437 -16.253 7.719 1.00 1.00 H new ATOM 0 HB3 SER A 9 -3.315 -17.587 7.905 1.00 1.00 H new ATOM 0 HG SER A 9 -5.368 -18.279 7.041 1.00 1.00 H new ATOM 144 N LEU A 10 -2.860 -18.823 10.381 1.00 1.00 N ATOM 145 CA LEU A 10 -1.686 -19.543 10.863 1.00 1.00 C ATOM 146 C LEU A 10 -1.098 -20.398 9.739 1.00 1.00 C ATOM 147 O LEU A 10 -0.182 -21.189 9.965 1.00 1.00 O ATOM 148 CB LEU A 10 -2.102 -20.436 12.032 1.00 1.00 C ATOM 149 CG LEU A 10 -2.616 -19.564 13.188 1.00 1.00 C ATOM 150 CD1 LEU A 10 -3.190 -20.464 14.286 1.00 1.00 C ATOM 151 CD2 LEU A 10 -1.467 -18.710 13.762 1.00 1.00 C ATOM 0 H LEU A 10 -3.636 -19.425 10.107 1.00 1.00 H new ATOM 0 HA LEU A 10 -0.928 -18.832 11.192 1.00 1.00 H new ATOM 0 HB2 LEU A 10 -2.879 -21.131 11.714 1.00 1.00 H new ATOM 0 HB3 LEU A 10 -1.255 -21.036 12.364 1.00 1.00 H new ATOM 0 HG LEU A 10 -3.395 -18.899 12.816 1.00 1.00 H new ATOM 0 HD11 LEU A 10 -3.555 -19.848 15.108 1.00 1.00 H new ATOM 0 HD12 LEU A 10 -4.013 -21.053 13.881 1.00 1.00 H new ATOM 0 HD13 LEU A 10 -2.411 -21.133 14.653 1.00 1.00 H new ATOM 0 HD21 LEU A 10 -1.844 -18.096 14.580 1.00 1.00 H new ATOM 0 HD22 LEU A 10 -0.677 -19.364 14.132 1.00 1.00 H new ATOM 0 HD23 LEU A 10 -1.067 -18.065 12.979 1.00 1.00 H new ATOM 163 N LYS A 11 -1.648 -20.245 8.529 1.00 1.00 N ATOM 164 CA LYS A 11 -1.191 -21.018 7.373 1.00 1.00 C ATOM 165 C LYS A 11 -0.105 -20.254 6.595 1.00 1.00 C ATOM 166 O LYS A 11 -0.336 -19.118 6.182 1.00 1.00 O ATOM 167 CB LYS A 11 -2.373 -21.290 6.429 1.00 1.00 C ATOM 168 CG LYS A 11 -3.633 -21.620 7.238 1.00 1.00 C ATOM 169 CD LYS A 11 -4.833 -21.759 6.292 1.00 1.00 C ATOM 170 CE LYS A 11 -4.761 -23.074 5.498 1.00 1.00 C ATOM 171 NZ LYS A 11 -4.430 -24.214 6.401 1.00 1.00 N ATOM 0 H LYS A 11 -2.407 -19.595 8.327 1.00 1.00 H new ATOM 0 HA LYS A 11 -0.775 -21.957 7.739 1.00 1.00 H new ATOM 0 HB2 LYS A 11 -2.554 -20.418 5.801 1.00 1.00 H new ATOM 0 HB3 LYS A 11 -2.132 -22.119 5.763 1.00 1.00 H new ATOM 0 HG2 LYS A 11 -3.487 -22.546 7.795 1.00 1.00 H new ATOM 0 HG3 LYS A 11 -3.823 -20.835 7.970 1.00 1.00 H new ATOM 0 HD2 LYS A 11 -5.759 -21.727 6.867 1.00 1.00 H new ATOM 0 HD3 LYS A 11 -4.857 -20.915 5.603 1.00 1.00 H new ATOM 0 HE2 LYS A 11 -5.715 -23.259 5.004 1.00 1.00 H new ATOM 0 HE3 LYS A 11 -4.007 -22.992 4.715 1.00 1.00 H new ATOM 0 HZ1 LYS A 11 -4.816 -25.095 6.004 1.00 1.00 H new ATOM 0 HZ2 LYS A 11 -3.397 -24.298 6.490 1.00 1.00 H new ATOM 0 HZ3 LYS A 11 -4.846 -24.046 7.339 1.00 1.00 H new ATOM 185 N PRO A 12 1.057 -20.833 6.364 1.00 1.00 N ATOM 186 CA PRO A 12 2.140 -20.147 5.599 1.00 1.00 C ATOM 187 C PRO A 12 1.856 -20.131 4.094 1.00 1.00 C ATOM 188 O PRO A 12 2.559 -19.469 3.330 1.00 1.00 O ATOM 189 CB PRO A 12 3.394 -20.970 5.928 1.00 1.00 C ATOM 190 CG PRO A 12 2.890 -22.348 6.220 1.00 1.00 C ATOM 191 CD PRO A 12 1.476 -22.184 6.795 1.00 1.00 C ATOM 0 HA PRO A 12 2.241 -19.097 5.872 1.00 1.00 H new ATOM 0 HB2 PRO A 12 4.093 -20.975 5.092 1.00 1.00 H new ATOM 0 HB3 PRO A 12 3.925 -20.555 6.785 1.00 1.00 H new ATOM 0 HG2 PRO A 12 2.872 -22.954 5.314 1.00 1.00 H new ATOM 0 HG3 PRO A 12 3.541 -22.856 6.931 1.00 1.00 H new ATOM 0 HD2 PRO A 12 0.801 -22.950 6.413 1.00 1.00 H new ATOM 0 HD3 PRO A 12 1.476 -22.272 7.881 1.00 1.00 H new ATOM 199 N ASN A 13 0.830 -20.875 3.672 1.00 1.00 N ATOM 200 CA ASN A 13 0.472 -20.949 2.251 1.00 1.00 C ATOM 201 C ASN A 13 -0.637 -19.963 1.889 1.00 1.00 C ATOM 202 O ASN A 13 -0.968 -19.801 0.716 1.00 1.00 O ATOM 203 CB ASN A 13 0.000 -22.366 1.918 1.00 1.00 C ATOM 204 CG ASN A 13 -1.276 -22.682 2.692 1.00 1.00 C ATOM 205 OD1 ASN A 13 -1.779 -21.834 3.431 1.00 1.00 O ATOM 206 ND2 ASN A 13 -1.833 -23.855 2.567 1.00 1.00 N ATOM 0 H ASN A 13 0.236 -21.431 4.287 1.00 1.00 H new ATOM 0 HA ASN A 13 1.360 -20.691 1.674 1.00 1.00 H new ATOM 0 HB2 ASN A 13 -0.182 -22.456 0.847 1.00 1.00 H new ATOM 0 HB3 ASN A 13 0.777 -23.087 2.171 1.00 1.00 H new ATOM 0 HD21 ASN A 13 -2.687 -24.072 3.082 1.00 1.00 H new ATOM 0 HD22 ASN A 13 -1.415 -24.555 1.955 1.00 1.00 H new ATOM 213 N GLU A 14 -1.216 -19.316 2.895 1.00 1.00 N ATOM 214 CA GLU A 14 -2.300 -18.355 2.665 1.00 1.00 C ATOM 215 C GLU A 14 -2.322 -17.298 3.757 1.00 1.00 C ATOM 216 O GLU A 14 -1.660 -17.437 4.784 1.00 1.00 O ATOM 217 CB GLU A 14 -3.663 -19.067 2.668 1.00 1.00 C ATOM 218 CG GLU A 14 -3.820 -19.939 1.424 1.00 1.00 C ATOM 219 CD GLU A 14 -5.174 -20.642 1.446 1.00 1.00 C ATOM 220 OE1 GLU A 14 -5.922 -20.415 2.383 1.00 1.00 O ATOM 221 OE2 GLU A 14 -5.440 -21.400 0.527 1.00 1.00 O ATOM 0 H GLU A 14 -0.958 -19.435 3.874 1.00 1.00 H new ATOM 0 HA GLU A 14 -2.121 -17.888 1.696 1.00 1.00 H new ATOM 0 HB2 GLU A 14 -3.755 -19.682 3.563 1.00 1.00 H new ATOM 0 HB3 GLU A 14 -4.464 -18.329 2.704 1.00 1.00 H new ATOM 0 HG2 GLU A 14 -3.734 -19.326 0.527 1.00 1.00 H new ATOM 0 HG3 GLU A 14 -3.019 -20.677 1.384 1.00 1.00 H new ATOM 228 N CYS A 15 -3.124 -16.255 3.539 1.00 1.00 N ATOM 229 CA CYS A 15 -3.276 -15.183 4.527 1.00 1.00 C ATOM 230 C CYS A 15 -4.754 -14.928 4.795 1.00 1.00 C ATOM 231 O CYS A 15 -5.550 -14.889 3.866 1.00 1.00 O ATOM 232 CB CYS A 15 -2.644 -13.883 4.029 1.00 1.00 C ATOM 233 SG CYS A 15 -0.992 -14.207 3.375 1.00 1.00 S ATOM 0 H CYS A 15 -3.677 -16.129 2.691 1.00 1.00 H new ATOM 0 HA CYS A 15 -2.774 -15.501 5.441 1.00 1.00 H new ATOM 0 HB2 CYS A 15 -3.269 -13.439 3.255 1.00 1.00 H new ATOM 0 HB3 CYS A 15 -2.586 -13.162 4.844 1.00 1.00 H new ATOM 238 N GLN A 16 -5.110 -14.731 6.063 1.00 1.00 N ATOM 239 CA GLN A 16 -6.502 -14.454 6.433 1.00 1.00 C ATOM 240 C GLN A 16 -6.661 -12.968 6.733 1.00 1.00 C ATOM 241 O GLN A 16 -5.913 -12.404 7.530 1.00 1.00 O ATOM 242 CB GLN A 16 -6.899 -15.271 7.672 1.00 1.00 C ATOM 243 CG GLN A 16 -8.390 -15.074 7.958 1.00 1.00 C ATOM 244 CD GLN A 16 -8.808 -15.946 9.137 1.00 1.00 C ATOM 245 OE1 GLN A 16 -8.292 -15.783 10.242 1.00 1.00 O ATOM 246 NE2 GLN A 16 -9.717 -16.867 8.968 1.00 1.00 N ATOM 0 H GLN A 16 -4.461 -14.757 6.849 1.00 1.00 H new ATOM 0 HA GLN A 16 -7.150 -14.735 5.603 1.00 1.00 H new ATOM 0 HB2 GLN A 16 -6.686 -16.327 7.508 1.00 1.00 H new ATOM 0 HB3 GLN A 16 -6.308 -14.957 8.532 1.00 1.00 H new ATOM 0 HG2 GLN A 16 -8.592 -14.026 8.179 1.00 1.00 H new ATOM 0 HG3 GLN A 16 -8.976 -15.333 7.076 1.00 1.00 H new ATOM 0 HE21 GLN A 16 -10.144 -17.000 8.051 1.00 1.00 H new ATOM 0 HE22 GLN A 16 -10.001 -17.453 9.753 1.00 1.00 H new ATOM 255 N ASP A 17 -7.648 -12.337 6.098 1.00 1.00 N ATOM 256 CA ASP A 17 -7.902 -10.908 6.315 1.00 1.00 C ATOM 257 C ASP A 17 -8.937 -10.721 7.420 1.00 1.00 C ATOM 258 O ASP A 17 -9.407 -11.691 8.012 1.00 1.00 O ATOM 259 CB ASP A 17 -8.403 -10.249 5.018 1.00 1.00 C ATOM 260 CG ASP A 17 -8.064 -8.759 5.007 1.00 1.00 C ATOM 261 OD1 ASP A 17 -8.750 -8.011 5.685 1.00 1.00 O ATOM 262 OD2 ASP A 17 -7.127 -8.390 4.321 1.00 1.00 O ATOM 0 H ASP A 17 -8.281 -12.785 5.435 1.00 1.00 H new ATOM 0 HA ASP A 17 -6.968 -10.433 6.615 1.00 1.00 H new ATOM 0 HB2 ASP A 17 -7.948 -10.737 4.156 1.00 1.00 H new ATOM 0 HB3 ASP A 17 -9.481 -10.383 4.928 1.00 1.00 H new ATOM 267 N LEU A 18 -9.297 -9.472 7.685 1.00 1.00 N ATOM 268 CA LEU A 18 -10.283 -9.167 8.711 1.00 1.00 C ATOM 269 C LEU A 18 -11.647 -9.740 8.322 1.00 1.00 C ATOM 270 O LEU A 18 -12.443 -10.112 9.185 1.00 1.00 O ATOM 271 CB LEU A 18 -10.378 -7.643 8.878 1.00 1.00 C ATOM 272 CG LEU A 18 -9.224 -7.144 9.753 1.00 1.00 C ATOM 273 CD1 LEU A 18 -7.892 -7.553 9.115 1.00 1.00 C ATOM 274 CD2 LEU A 18 -9.291 -5.617 9.860 1.00 1.00 C ATOM 0 H LEU A 18 -8.921 -8.655 7.204 1.00 1.00 H new ATOM 0 HA LEU A 18 -9.977 -9.619 9.654 1.00 1.00 H new ATOM 0 HB2 LEU A 18 -10.343 -7.158 7.902 1.00 1.00 H new ATOM 0 HB3 LEU A 18 -11.332 -7.376 9.332 1.00 1.00 H new ATOM 0 HG LEU A 18 -9.302 -7.582 10.748 1.00 1.00 H new ATOM 0 HD11 LEU A 18 -7.068 -7.200 9.735 1.00 1.00 H new ATOM 0 HD12 LEU A 18 -7.846 -8.639 9.034 1.00 1.00 H new ATOM 0 HD13 LEU A 18 -7.814 -7.112 8.121 1.00 1.00 H new ATOM 0 HD21 LEU A 18 -8.471 -5.260 10.482 1.00 1.00 H new ATOM 0 HD22 LEU A 18 -9.210 -5.179 8.865 1.00 1.00 H new ATOM 0 HD23 LEU A 18 -10.241 -5.325 10.309 1.00 1.00 H new ATOM 286 N LYS A 19 -11.917 -9.801 7.017 1.00 1.00 N ATOM 287 CA LYS A 19 -13.188 -10.319 6.526 1.00 1.00 C ATOM 288 C LYS A 19 -13.199 -11.851 6.560 1.00 1.00 C ATOM 289 O LYS A 19 -14.053 -12.500 5.958 1.00 1.00 O ATOM 290 CB LYS A 19 -13.419 -9.837 5.087 1.00 1.00 C ATOM 291 CG LYS A 19 -14.906 -9.902 4.756 1.00 1.00 C ATOM 292 CD LYS A 19 -15.123 -9.460 3.313 1.00 1.00 C ATOM 293 CE LYS A 19 -16.610 -9.557 2.978 1.00 1.00 C ATOM 294 NZ LYS A 19 -17.063 -10.961 3.180 1.00 1.00 N ATOM 0 H LYS A 19 -11.273 -9.499 6.286 1.00 1.00 H new ATOM 0 HA LYS A 19 -13.985 -9.950 7.172 1.00 1.00 H new ATOM 0 HB2 LYS A 19 -13.055 -8.816 4.972 1.00 1.00 H new ATOM 0 HB3 LYS A 19 -12.854 -10.457 4.391 1.00 1.00 H new ATOM 0 HG2 LYS A 19 -15.277 -10.917 4.897 1.00 1.00 H new ATOM 0 HG3 LYS A 19 -15.469 -9.260 5.433 1.00 1.00 H new ATOM 0 HD2 LYS A 19 -14.773 -8.437 3.177 1.00 1.00 H new ATOM 0 HD3 LYS A 19 -14.543 -10.088 2.636 1.00 1.00 H new ATOM 0 HE2 LYS A 19 -17.184 -8.882 3.613 1.00 1.00 H new ATOM 0 HE3 LYS A 19 -16.784 -9.250 1.947 1.00 1.00 H new ATOM 0 HZ1 LYS A 19 -17.935 -11.126 2.638 1.00 1.00 H new ATOM 0 HZ2 LYS A 19 -16.323 -11.615 2.853 1.00 1.00 H new ATOM 0 HZ3 LYS A 19 -17.248 -11.124 4.190 1.00 1.00 H new ATOM 308 N GLY A 20 -12.249 -12.424 7.280 1.00 1.00 N ATOM 309 CA GLY A 20 -12.164 -13.876 7.402 1.00 1.00 C ATOM 310 C GLY A 20 -12.003 -14.549 6.042 1.00 1.00 C ATOM 311 O GLY A 20 -12.318 -15.729 5.886 1.00 1.00 O ATOM 0 H GLY A 20 -11.528 -11.912 7.788 1.00 1.00 H new ATOM 0 HA2 GLY A 20 -11.320 -14.139 8.040 1.00 1.00 H new ATOM 0 HA3 GLY A 20 -13.062 -14.253 7.890 1.00 1.00 H new ATOM 315 N VAL A 21 -11.507 -13.796 5.062 1.00 1.00 N ATOM 316 CA VAL A 21 -11.300 -14.334 3.714 1.00 1.00 C ATOM 317 C VAL A 21 -9.836 -14.683 3.511 1.00 1.00 C ATOM 318 O VAL A 21 -8.952 -14.058 4.097 1.00 1.00 O ATOM 319 CB VAL A 21 -11.717 -13.311 2.656 1.00 1.00 C ATOM 320 CG1 VAL A 21 -10.917 -12.025 2.854 1.00 1.00 C ATOM 321 CG2 VAL A 21 -11.422 -13.874 1.263 1.00 1.00 C ATOM 0 H VAL A 21 -11.242 -12.817 5.172 1.00 1.00 H new ATOM 0 HA VAL A 21 -11.912 -15.230 3.609 1.00 1.00 H new ATOM 0 HB VAL A 21 -12.782 -13.101 2.751 1.00 1.00 H new ATOM 0 HG11 VAL A 21 -11.212 -11.294 2.101 1.00 1.00 H new ATOM 0 HG12 VAL A 21 -11.115 -11.623 3.848 1.00 1.00 H new ATOM 0 HG13 VAL A 21 -9.853 -12.239 2.754 1.00 1.00 H new ATOM 0 HG21 VAL A 21 -11.718 -13.147 0.507 1.00 1.00 H new ATOM 0 HG22 VAL A 21 -10.355 -14.079 1.172 1.00 1.00 H new ATOM 0 HG23 VAL A 21 -11.982 -14.798 1.118 1.00 1.00 H new ATOM 331 N SER A 22 -9.586 -15.708 2.695 1.00 1.00 N ATOM 332 CA SER A 22 -8.218 -16.164 2.434 1.00 1.00 C ATOM 333 C SER A 22 -7.858 -16.048 0.958 1.00 1.00 C ATOM 334 O SER A 22 -8.728 -16.047 0.088 1.00 1.00 O ATOM 335 CB SER A 22 -8.080 -17.620 2.876 1.00 1.00 C ATOM 336 OG SER A 22 -8.557 -18.468 1.840 1.00 1.00 O ATOM 0 H SER A 22 -10.308 -16.236 2.205 1.00 1.00 H new ATOM 0 HA SER A 22 -7.536 -15.528 2.998 1.00 1.00 H new ATOM 0 HB2 SER A 22 -7.038 -17.848 3.099 1.00 1.00 H new ATOM 0 HB3 SER A 22 -8.646 -17.790 3.792 1.00 1.00 H new ATOM 0 HG SER A 22 -8.470 -19.404 2.117 1.00 1.00 H new ATOM 342 N HIS A 23 -6.553 -15.956 0.683 1.00 1.00 N ATOM 343 CA HIS A 23 -6.065 -15.848 -0.696 1.00 1.00 C ATOM 344 C HIS A 23 -4.760 -16.636 -0.859 1.00 1.00 C ATOM 345 O HIS A 23 -3.970 -16.719 0.082 1.00 1.00 O ATOM 346 CB HIS A 23 -5.793 -14.380 -1.041 1.00 1.00 C ATOM 347 CG HIS A 23 -7.031 -13.556 -0.810 1.00 1.00 C ATOM 348 ND1 HIS A 23 -8.076 -13.521 -1.718 1.00 1.00 N ATOM 349 CD2 HIS A 23 -7.394 -12.716 0.213 1.00 1.00 C ATOM 350 CE1 HIS A 23 -9.009 -12.685 -1.229 1.00 1.00 C ATOM 351 NE2 HIS A 23 -8.645 -12.168 -0.053 1.00 1.00 N ATOM 0 H HIS A 23 -5.820 -15.954 1.392 1.00 1.00 H new ATOM 0 HA HIS A 23 -6.827 -16.253 -1.362 1.00 1.00 H new ATOM 0 HB2 HIS A 23 -4.975 -14.000 -0.429 1.00 1.00 H new ATOM 0 HB3 HIS A 23 -5.479 -14.295 -2.081 1.00 1.00 H new ATOM 0 HD2 HIS A 23 -6.799 -12.511 1.091 1.00 1.00 H new ATOM 0 HE1 HIS A 23 -9.940 -12.459 -1.727 1.00 1.00 H new ATOM 0 HE2 HIS A 23 -9.171 -11.513 0.526 1.00 1.00 H new ATOM 360 N PRO A 24 -4.498 -17.200 -2.021 1.00 1.00 N ATOM 361 CA PRO A 24 -3.234 -17.960 -2.248 1.00 1.00 C ATOM 362 C PRO A 24 -2.001 -17.080 -2.022 1.00 1.00 C ATOM 363 O PRO A 24 -1.980 -15.908 -2.397 1.00 1.00 O ATOM 364 CB PRO A 24 -3.336 -18.456 -3.709 1.00 1.00 C ATOM 365 CG PRO A 24 -4.436 -17.656 -4.348 1.00 1.00 C ATOM 366 CD PRO A 24 -5.358 -17.185 -3.218 1.00 1.00 C ATOM 0 HA PRO A 24 -3.117 -18.788 -1.548 1.00 1.00 H new ATOM 0 HB2 PRO A 24 -2.393 -18.311 -4.236 1.00 1.00 H new ATOM 0 HB3 PRO A 24 -3.560 -19.522 -3.743 1.00 1.00 H new ATOM 0 HG2 PRO A 24 -4.028 -16.805 -4.893 1.00 1.00 H new ATOM 0 HG3 PRO A 24 -4.986 -18.262 -5.068 1.00 1.00 H new ATOM 0 HD2 PRO A 24 -5.751 -16.187 -3.414 1.00 1.00 H new ATOM 0 HD3 PRO A 24 -6.215 -17.848 -3.101 1.00 1.00 H new ATOM 374 N LEU A 25 -0.978 -17.667 -1.406 1.00 1.00 N ATOM 375 CA LEU A 25 0.268 -16.954 -1.123 1.00 1.00 C ATOM 376 C LEU A 25 0.938 -16.507 -2.425 1.00 1.00 C ATOM 377 O LEU A 25 1.073 -17.289 -3.364 1.00 1.00 O ATOM 378 CB LEU A 25 1.208 -17.894 -0.322 1.00 1.00 C ATOM 379 CG LEU A 25 2.645 -17.326 -0.173 1.00 1.00 C ATOM 380 CD1 LEU A 25 2.693 -16.267 0.933 1.00 1.00 C ATOM 381 CD2 LEU A 25 3.607 -18.465 0.195 1.00 1.00 C ATOM 0 H LEU A 25 -0.986 -18.637 -1.092 1.00 1.00 H new ATOM 0 HA LEU A 25 0.054 -16.061 -0.535 1.00 1.00 H new ATOM 0 HB2 LEU A 25 0.786 -18.065 0.668 1.00 1.00 H new ATOM 0 HB3 LEU A 25 1.255 -18.863 -0.820 1.00 1.00 H new ATOM 0 HG LEU A 25 2.938 -16.871 -1.119 1.00 1.00 H new ATOM 0 HD11 LEU A 25 3.708 -15.880 1.023 1.00 1.00 H new ATOM 0 HD12 LEU A 25 2.014 -15.451 0.685 1.00 1.00 H new ATOM 0 HD13 LEU A 25 2.391 -16.715 1.879 1.00 1.00 H new ATOM 0 HD21 LEU A 25 4.617 -18.069 0.300 1.00 1.00 H new ATOM 0 HD22 LEU A 25 3.294 -18.916 1.137 1.00 1.00 H new ATOM 0 HD23 LEU A 25 3.594 -19.221 -0.591 1.00 1.00 H new ATOM 393 N ASN A 26 1.386 -15.244 -2.441 1.00 1.00 N ATOM 394 CA ASN A 26 2.087 -14.668 -3.599 1.00 1.00 C ATOM 395 C ASN A 26 1.122 -14.088 -4.632 1.00 1.00 C ATOM 396 O ASN A 26 1.537 -13.412 -5.574 1.00 1.00 O ATOM 397 CB ASN A 26 2.965 -15.743 -4.260 1.00 1.00 C ATOM 398 CG ASN A 26 4.161 -15.114 -4.963 1.00 1.00 C ATOM 399 OD1 ASN A 26 4.008 -14.483 -6.012 1.00 1.00 O ATOM 400 ND2 ASN A 26 5.347 -15.252 -4.444 1.00 1.00 N ATOM 0 H ASN A 26 1.275 -14.597 -1.660 1.00 1.00 H new ATOM 0 HA ASN A 26 2.705 -13.849 -3.232 1.00 1.00 H new ATOM 0 HB2 ASN A 26 3.312 -16.449 -3.505 1.00 1.00 H new ATOM 0 HB3 ASN A 26 2.373 -16.310 -4.979 1.00 1.00 H new ATOM 0 HD21 ASN A 26 6.157 -14.837 -4.905 1.00 1.00 H new ATOM 0 HD22 ASN A 26 5.466 -15.775 -3.576 1.00 1.00 H new ATOM 407 N SER A 27 -0.156 -14.381 -4.468 1.00 1.00 N ATOM 408 CA SER A 27 -1.168 -13.915 -5.409 1.00 1.00 C ATOM 409 C SER A 27 -1.592 -12.517 -5.046 1.00 1.00 C ATOM 410 O SER A 27 -1.539 -12.141 -3.882 1.00 1.00 O ATOM 411 CB SER A 27 -2.379 -14.840 -5.394 1.00 1.00 C ATOM 412 OG SER A 27 -1.980 -16.138 -5.809 1.00 1.00 O ATOM 0 H SER A 27 -0.520 -14.938 -3.695 1.00 1.00 H new ATOM 0 HA SER A 27 -0.740 -13.917 -6.412 1.00 1.00 H new ATOM 0 HB2 SER A 27 -2.808 -14.881 -4.393 1.00 1.00 H new ATOM 0 HB3 SER A 27 -3.154 -14.455 -6.057 1.00 1.00 H new ATOM 0 HG SER A 27 -2.586 -16.459 -6.509 1.00 1.00 H new ATOM 418 N VAL A 28 -2.013 -11.748 -6.043 1.00 1.00 N ATOM 419 CA VAL A 28 -2.439 -10.373 -5.812 1.00 1.00 C ATOM 420 C VAL A 28 -3.880 -10.174 -6.244 1.00 1.00 C ATOM 421 O VAL A 28 -4.358 -10.812 -7.182 1.00 1.00 O ATOM 422 CB VAL A 28 -1.541 -9.414 -6.595 1.00 1.00 C ATOM 423 CG1 VAL A 28 -1.680 -9.687 -8.092 1.00 1.00 C ATOM 424 CG2 VAL A 28 -1.961 -7.974 -6.299 1.00 1.00 C ATOM 0 H VAL A 28 -2.069 -12.051 -7.015 1.00 1.00 H new ATOM 0 HA VAL A 28 -2.360 -10.166 -4.745 1.00 1.00 H new ATOM 0 HB VAL A 28 -0.503 -9.562 -6.296 1.00 1.00 H new ATOM 0 HG11 VAL A 28 -1.039 -9.002 -8.648 1.00 1.00 H new ATOM 0 HG12 VAL A 28 -1.383 -10.714 -8.304 1.00 1.00 H new ATOM 0 HG13 VAL A 28 -2.717 -9.539 -8.394 1.00 1.00 H new ATOM 0 HG21 VAL A 28 -1.323 -7.287 -6.855 1.00 1.00 H new ATOM 0 HG22 VAL A 28 -2.999 -7.829 -6.599 1.00 1.00 H new ATOM 0 HG23 VAL A 28 -1.861 -7.778 -5.231 1.00 1.00 H new ATOM 434 N TRP A 29 -4.551 -9.253 -5.570 1.00 1.00 N ATOM 435 CA TRP A 29 -5.934 -8.922 -5.895 1.00 1.00 C ATOM 436 C TRP A 29 -6.213 -7.468 -5.554 1.00 1.00 C ATOM 437 O TRP A 29 -5.420 -6.810 -4.879 1.00 1.00 O ATOM 438 CB TRP A 29 -6.917 -9.835 -5.157 1.00 1.00 C ATOM 439 CG TRP A 29 -6.809 -9.627 -3.688 1.00 1.00 C ATOM 440 CD1 TRP A 29 -7.648 -8.881 -2.937 1.00 1.00 C ATOM 441 CD2 TRP A 29 -5.822 -10.174 -2.781 1.00 1.00 C ATOM 442 NE1 TRP A 29 -7.231 -8.940 -1.621 1.00 1.00 N ATOM 443 CE2 TRP A 29 -6.106 -9.727 -1.474 1.00 1.00 C ATOM 444 CE3 TRP A 29 -4.719 -11.010 -2.977 1.00 1.00 C ATOM 445 CZ2 TRP A 29 -5.313 -10.101 -0.387 1.00 1.00 C ATOM 446 CZ3 TRP A 29 -3.915 -11.393 -1.891 1.00 1.00 C ATOM 447 CH2 TRP A 29 -4.213 -10.941 -0.597 1.00 1.00 C ATOM 0 H TRP A 29 -4.161 -8.719 -4.793 1.00 1.00 H new ATOM 0 HA TRP A 29 -6.075 -9.076 -6.965 1.00 1.00 H new ATOM 0 HB2 TRP A 29 -7.935 -9.627 -5.487 1.00 1.00 H new ATOM 0 HB3 TRP A 29 -6.709 -10.877 -5.400 1.00 1.00 H new ATOM 0 HD1 TRP A 29 -8.502 -8.331 -3.304 1.00 1.00 H new ATOM 0 HE1 TRP A 29 -7.698 -8.460 -0.851 1.00 1.00 H new ATOM 0 HE3 TRP A 29 -4.484 -11.364 -3.970 1.00 1.00 H new ATOM 0 HZ2 TRP A 29 -5.546 -9.746 0.606 1.00 1.00 H new ATOM 0 HZ3 TRP A 29 -3.064 -12.038 -2.053 1.00 1.00 H new ATOM 0 HH2 TRP A 29 -3.595 -11.241 0.236 1.00 1.00 H new ATOM 458 N LYS A 30 -7.342 -6.973 -6.038 1.00 1.00 N ATOM 459 CA LYS A 30 -7.741 -5.584 -5.805 1.00 1.00 C ATOM 460 C LYS A 30 -9.118 -5.561 -5.149 1.00 1.00 C ATOM 461 O LYS A 30 -10.021 -6.302 -5.549 1.00 1.00 O ATOM 462 CB LYS A 30 -7.767 -4.806 -7.137 1.00 1.00 C ATOM 463 CG LYS A 30 -6.620 -5.280 -8.040 1.00 1.00 C ATOM 464 CD LYS A 30 -6.626 -4.480 -9.348 1.00 1.00 C ATOM 465 CE LYS A 30 -5.640 -5.106 -10.340 1.00 1.00 C ATOM 466 NZ LYS A 30 -4.247 -4.957 -9.831 1.00 1.00 N ATOM 0 H LYS A 30 -8.004 -7.511 -6.597 1.00 1.00 H new ATOM 0 HA LYS A 30 -7.019 -5.105 -5.144 1.00 1.00 H new ATOM 0 HB2 LYS A 30 -8.723 -4.958 -7.638 1.00 1.00 H new ATOM 0 HB3 LYS A 30 -7.673 -3.737 -6.946 1.00 1.00 H new ATOM 0 HG2 LYS A 30 -5.666 -5.152 -7.529 1.00 1.00 H new ATOM 0 HG3 LYS A 30 -6.728 -6.344 -8.253 1.00 1.00 H new ATOM 0 HD2 LYS A 30 -7.629 -4.470 -9.775 1.00 1.00 H new ATOM 0 HD3 LYS A 30 -6.352 -3.443 -9.153 1.00 1.00 H new ATOM 0 HE2 LYS A 30 -5.874 -6.161 -10.482 1.00 1.00 H new ATOM 0 HE3 LYS A 30 -5.735 -4.625 -11.313 1.00 1.00 H new ATOM 0 HZ1 LYS A 30 -3.575 -5.243 -10.571 1.00 1.00 H new ATOM 0 HZ2 LYS A 30 -4.076 -3.964 -9.573 1.00 1.00 H new ATOM 0 HZ3 LYS A 30 -4.117 -5.560 -8.993 1.00 1.00 H new ATOM 480 N THR A 31 -9.277 -4.706 -4.140 1.00 1.00 N ATOM 481 CA THR A 31 -10.548 -4.595 -3.421 1.00 1.00 C ATOM 482 C THR A 31 -11.371 -3.421 -3.937 1.00 1.00 C ATOM 483 O THR A 31 -11.056 -2.827 -4.968 1.00 1.00 O ATOM 484 CB THR A 31 -10.290 -4.404 -1.923 1.00 1.00 C ATOM 485 OG1 THR A 31 -9.931 -3.053 -1.675 1.00 1.00 O ATOM 486 CG2 THR A 31 -9.159 -5.329 -1.473 1.00 1.00 C ATOM 0 H THR A 31 -8.545 -4.081 -3.802 1.00 1.00 H new ATOM 0 HA THR A 31 -11.106 -5.516 -3.588 1.00 1.00 H new ATOM 0 HB THR A 31 -11.194 -4.647 -1.365 1.00 1.00 H new ATOM 0 HG1 THR A 31 -9.616 -2.962 -0.751 1.00 1.00 H new ATOM 0 HG21 THR A 31 -8.978 -5.191 -0.407 1.00 1.00 H new ATOM 0 HG22 THR A 31 -9.439 -6.365 -1.662 1.00 1.00 H new ATOM 0 HG23 THR A 31 -8.252 -5.092 -2.029 1.00 1.00 H new ATOM 494 N LYS A 32 -12.432 -3.098 -3.203 1.00 1.00 N ATOM 495 CA LYS A 32 -13.319 -1.998 -3.568 1.00 1.00 C ATOM 496 C LYS A 32 -12.652 -0.651 -3.307 1.00 1.00 C ATOM 497 O LYS A 32 -13.247 0.402 -3.533 1.00 1.00 O ATOM 498 CB LYS A 32 -14.614 -2.098 -2.759 1.00 1.00 C ATOM 499 CG LYS A 32 -15.447 -3.276 -3.282 1.00 1.00 C ATOM 500 CD LYS A 32 -16.662 -3.531 -2.360 1.00 1.00 C ATOM 501 CE LYS A 32 -16.323 -4.594 -1.303 1.00 1.00 C ATOM 502 NZ LYS A 32 -14.931 -4.397 -0.804 1.00 1.00 N ATOM 0 H LYS A 32 -12.699 -3.585 -2.348 1.00 1.00 H new ATOM 0 HA LYS A 32 -13.542 -2.070 -4.633 1.00 1.00 H new ATOM 0 HB2 LYS A 32 -14.387 -2.239 -1.702 1.00 1.00 H new ATOM 0 HB3 LYS A 32 -15.181 -1.171 -2.842 1.00 1.00 H new ATOM 0 HG2 LYS A 32 -15.790 -3.065 -4.295 1.00 1.00 H new ATOM 0 HG3 LYS A 32 -14.828 -4.172 -3.334 1.00 1.00 H new ATOM 0 HD2 LYS A 32 -16.955 -2.603 -1.870 1.00 1.00 H new ATOM 0 HD3 LYS A 32 -17.514 -3.860 -2.955 1.00 1.00 H new ATOM 0 HE2 LYS A 32 -17.027 -4.530 -0.473 1.00 1.00 H new ATOM 0 HE3 LYS A 32 -16.426 -5.591 -1.733 1.00 1.00 H new ATOM 0 HZ1 LYS A 32 -14.712 -5.121 -0.090 1.00 1.00 H new ATOM 0 HZ2 LYS A 32 -14.263 -4.480 -1.597 1.00 1.00 H new ATOM 0 HZ3 LYS A 32 -14.846 -3.453 -0.377 1.00 1.00 H new ATOM 516 N ASP A 33 -11.416 -0.701 -2.820 1.00 1.00 N ATOM 517 CA ASP A 33 -10.650 0.510 -2.511 1.00 1.00 C ATOM 518 C ASP A 33 -9.555 0.740 -3.550 1.00 1.00 C ATOM 519 O ASP A 33 -8.530 1.351 -3.249 1.00 1.00 O ATOM 520 CB ASP A 33 -9.997 0.356 -1.138 1.00 1.00 C ATOM 521 CG ASP A 33 -11.048 0.424 -0.034 1.00 1.00 C ATOM 522 OD1 ASP A 33 -12.152 0.858 -0.318 1.00 1.00 O ATOM 523 OD2 ASP A 33 -10.727 0.042 1.078 1.00 1.00 O ATOM 0 H ASP A 33 -10.918 -1.570 -2.629 1.00 1.00 H new ATOM 0 HA ASP A 33 -11.331 1.361 -2.519 1.00 1.00 H new ATOM 0 HB2 ASP A 33 -9.467 -0.595 -1.086 1.00 1.00 H new ATOM 0 HB3 ASP A 33 -9.256 1.142 -0.991 1.00 1.00 H new ATOM 528 N CYS A 34 -9.783 0.261 -4.772 1.00 1.00 N ATOM 529 CA CYS A 34 -8.806 0.425 -5.850 1.00 1.00 C ATOM 530 C CYS A 34 -7.396 0.115 -5.370 1.00 1.00 C ATOM 531 O CYS A 34 -6.419 0.403 -6.055 1.00 1.00 O ATOM 532 CB CYS A 34 -8.865 1.855 -6.382 1.00 1.00 C ATOM 533 SG CYS A 34 -10.376 2.044 -7.359 1.00 1.00 S ATOM 0 H CYS A 34 -10.630 -0.241 -5.040 1.00 1.00 H new ATOM 0 HA CYS A 34 -9.056 -0.277 -6.646 1.00 1.00 H new ATOM 0 HB2 CYS A 34 -8.857 2.567 -5.556 1.00 1.00 H new ATOM 0 HB3 CYS A 34 -7.989 2.067 -6.995 1.00 1.00 H new ATOM 538 N GLU A 35 -7.296 -0.482 -4.193 1.00 1.00 N ATOM 539 CA GLU A 35 -6.006 -0.833 -3.628 1.00 1.00 C ATOM 540 C GLU A 35 -5.576 -2.201 -4.129 1.00 1.00 C ATOM 541 O GLU A 35 -6.369 -2.925 -4.727 1.00 1.00 O ATOM 542 CB GLU A 35 -6.097 -0.836 -2.098 1.00 1.00 C ATOM 543 CG GLU A 35 -6.980 -1.997 -1.640 1.00 1.00 C ATOM 544 CD GLU A 35 -7.293 -1.854 -0.158 1.00 1.00 C ATOM 545 OE1 GLU A 35 -6.456 -1.333 0.559 1.00 1.00 O ATOM 546 OE2 GLU A 35 -8.372 -2.263 0.240 1.00 1.00 O ATOM 0 H GLU A 35 -8.095 -0.733 -3.611 1.00 1.00 H new ATOM 0 HA GLU A 35 -5.265 -0.097 -3.939 1.00 1.00 H new ATOM 0 HB2 GLU A 35 -5.101 -0.930 -1.664 1.00 1.00 H new ATOM 0 HB3 GLU A 35 -6.510 0.109 -1.746 1.00 1.00 H new ATOM 0 HG2 GLU A 35 -7.905 -2.012 -2.216 1.00 1.00 H new ATOM 0 HG3 GLU A 35 -6.474 -2.945 -1.824 1.00 1.00 H new ATOM 553 N GLU A 36 -4.322 -2.552 -3.877 1.00 1.00 N ATOM 554 CA GLU A 36 -3.782 -3.849 -4.297 1.00 1.00 C ATOM 555 C GLU A 36 -3.190 -4.574 -3.093 1.00 1.00 C ATOM 556 O GLU A 36 -2.472 -3.974 -2.299 1.00 1.00 O ATOM 557 CB GLU A 36 -2.711 -3.634 -5.367 1.00 1.00 C ATOM 558 CG GLU A 36 -1.676 -2.624 -4.863 1.00 1.00 C ATOM 559 CD GLU A 36 -0.668 -2.323 -5.965 1.00 1.00 C ATOM 560 OE1 GLU A 36 -0.395 -3.215 -6.751 1.00 1.00 O ATOM 561 OE2 GLU A 36 -0.186 -1.203 -6.010 1.00 1.00 O ATOM 0 H GLU A 36 -3.655 -1.959 -3.383 1.00 1.00 H new ATOM 0 HA GLU A 36 -4.582 -4.460 -4.715 1.00 1.00 H new ATOM 0 HB2 GLU A 36 -2.225 -4.580 -5.604 1.00 1.00 H new ATOM 0 HB3 GLU A 36 -3.170 -3.272 -6.287 1.00 1.00 H new ATOM 0 HG2 GLU A 36 -2.173 -1.705 -4.552 1.00 1.00 H new ATOM 0 HG3 GLU A 36 -1.163 -3.022 -3.987 1.00 1.00 H new ATOM 568 N CYS A 37 -3.516 -5.863 -2.947 1.00 1.00 N ATOM 569 CA CYS A 37 -3.028 -6.656 -1.813 1.00 1.00 C ATOM 570 C CYS A 37 -2.490 -8.011 -2.254 1.00 1.00 C ATOM 571 O CYS A 37 -3.082 -8.677 -3.100 1.00 1.00 O ATOM 572 CB CYS A 37 -4.170 -6.896 -0.822 1.00 1.00 C ATOM 573 SG CYS A 37 -4.703 -5.335 -0.081 1.00 1.00 S ATOM 0 H CYS A 37 -4.112 -6.377 -3.596 1.00 1.00 H new ATOM 0 HA CYS A 37 -2.219 -6.091 -1.350 1.00 1.00 H new ATOM 0 HB2 CYS A 37 -5.009 -7.368 -1.332 1.00 1.00 H new ATOM 0 HB3 CYS A 37 -3.844 -7.583 -0.041 1.00 1.00 H new ATOM 578 N THR A 38 -1.384 -8.429 -1.634 1.00 1.00 N ATOM 579 CA THR A 38 -0.781 -9.740 -1.920 1.00 1.00 C ATOM 580 C THR A 38 -0.595 -10.499 -0.610 1.00 1.00 C ATOM 581 O THR A 38 -0.107 -9.947 0.373 1.00 1.00 O ATOM 582 CB THR A 38 0.585 -9.593 -2.631 1.00 1.00 C ATOM 583 OG1 THR A 38 0.602 -8.391 -3.384 1.00 1.00 O ATOM 584 CG2 THR A 38 0.834 -10.783 -3.566 1.00 1.00 C ATOM 0 H THR A 38 -0.886 -7.882 -0.931 1.00 1.00 H new ATOM 0 HA THR A 38 -1.448 -10.288 -2.586 1.00 1.00 H new ATOM 0 HB THR A 38 1.371 -9.567 -1.876 1.00 1.00 H new ATOM 0 HG1 THR A 38 1.468 -8.298 -3.832 1.00 1.00 H new ATOM 0 HG21 THR A 38 1.799 -10.663 -4.058 1.00 1.00 H new ATOM 0 HG22 THR A 38 0.834 -11.707 -2.987 1.00 1.00 H new ATOM 0 HG23 THR A 38 0.046 -10.826 -4.318 1.00 1.00 H new ATOM 592 N CYS A 39 -0.990 -11.760 -0.604 1.00 1.00 N ATOM 593 CA CYS A 39 -0.865 -12.580 0.598 1.00 1.00 C ATOM 594 C CYS A 39 0.570 -13.066 0.771 1.00 1.00 C ATOM 595 O CYS A 39 1.165 -13.626 -0.148 1.00 1.00 O ATOM 596 CB CYS A 39 -1.831 -13.768 0.496 1.00 1.00 C ATOM 597 SG CYS A 39 -1.324 -15.114 1.602 1.00 1.00 S ATOM 0 H CYS A 39 -1.397 -12.239 -1.407 1.00 1.00 H new ATOM 0 HA CYS A 39 -1.120 -11.981 1.472 1.00 1.00 H new ATOM 0 HB2 CYS A 39 -2.840 -13.444 0.750 1.00 1.00 H new ATOM 0 HB3 CYS A 39 -1.862 -14.129 -0.532 1.00 1.00 H new ATOM 602 N GLY A 40 1.109 -12.851 1.973 1.00 1.00 N ATOM 603 CA GLY A 40 2.465 -13.270 2.298 1.00 1.00 C ATOM 604 C GLY A 40 2.407 -14.488 3.203 1.00 1.00 C ATOM 605 O GLY A 40 1.449 -15.258 3.160 1.00 1.00 O ATOM 0 H GLY A 40 0.620 -12.386 2.738 1.00 1.00 H new ATOM 0 HA2 GLY A 40 3.014 -13.505 1.386 1.00 1.00 H new ATOM 0 HA3 GLY A 40 3.000 -12.460 2.793 1.00 1.00 H new ATOM 609 N GLN A 41 3.421 -14.657 4.029 1.00 1.00 N ATOM 610 CA GLN A 41 3.454 -15.775 4.939 1.00 1.00 C ATOM 611 C GLN A 41 2.576 -15.490 6.147 1.00 1.00 C ATOM 612 O GLN A 41 1.555 -16.142 6.359 1.00 1.00 O ATOM 613 CB GLN A 41 4.892 -16.004 5.399 1.00 1.00 C ATOM 614 CG GLN A 41 5.027 -17.416 5.976 1.00 1.00 C ATOM 615 CD GLN A 41 5.318 -18.417 4.860 1.00 1.00 C ATOM 616 OE1 GLN A 41 4.967 -18.131 3.636 1.00 1.00 O flip ATOM 617 NE2 GLN A 41 5.885 -19.480 5.111 1.00 1.00 N flip ATOM 0 H GLN A 41 4.228 -14.035 4.086 1.00 1.00 H new ATOM 0 HA GLN A 41 3.081 -16.664 4.431 1.00 1.00 H new ATOM 0 HB2 GLN A 41 5.577 -15.875 4.561 1.00 1.00 H new ATOM 0 HB3 GLN A 41 5.166 -15.265 6.152 1.00 1.00 H new ATOM 0 HG2 GLN A 41 5.829 -17.440 6.714 1.00 1.00 H new ATOM 0 HG3 GLN A 41 4.109 -17.694 6.494 1.00 1.00 H new ATOM 0 HE21 GLN A 41 6.157 -19.699 6.069 1.00 1.00 H new ATOM 0 HE22 GLN A 41 6.083 -20.142 4.361 1.00 1.00 H new ATOM 626 N ASP A 42 2.990 -14.503 6.938 1.00 1.00 N ATOM 627 CA ASP A 42 2.254 -14.116 8.137 1.00 1.00 C ATOM 628 C ASP A 42 1.926 -12.625 8.102 1.00 1.00 C ATOM 629 O ASP A 42 1.672 -12.020 9.144 1.00 1.00 O ATOM 630 CB ASP A 42 3.108 -14.414 9.378 1.00 1.00 C ATOM 631 CG ASP A 42 2.238 -14.437 10.631 1.00 1.00 C ATOM 632 OD1 ASP A 42 1.837 -13.373 11.070 1.00 1.00 O ATOM 633 OD2 ASP A 42 1.991 -15.521 11.136 1.00 1.00 O ATOM 0 H ASP A 42 3.834 -13.956 6.769 1.00 1.00 H new ATOM 0 HA ASP A 42 1.325 -14.684 8.177 1.00 1.00 H new ATOM 0 HB2 ASP A 42 3.611 -15.374 9.259 1.00 1.00 H new ATOM 0 HB3 ASP A 42 3.886 -13.658 9.482 1.00 1.00 H new ATOM 638 N ALA A 43 1.935 -12.018 6.911 1.00 1.00 N ATOM 639 CA ALA A 43 1.640 -10.595 6.799 1.00 1.00 C ATOM 640 C ALA A 43 1.276 -10.236 5.361 1.00 1.00 C ATOM 641 O ALA A 43 2.073 -10.433 4.443 1.00 1.00 O ATOM 642 CB ALA A 43 2.860 -9.776 7.234 1.00 1.00 C ATOM 0 H ALA A 43 2.140 -12.484 6.027 1.00 1.00 H new ATOM 0 HA ALA A 43 0.794 -10.365 7.446 1.00 1.00 H new ATOM 0 HB1 ALA A 43 2.634 -8.713 7.148 1.00 1.00 H new ATOM 0 HB2 ALA A 43 3.107 -10.012 8.269 1.00 1.00 H new ATOM 0 HB3 ALA A 43 3.708 -10.019 6.594 1.00 1.00 H new ATOM 648 N ILE A 44 0.077 -9.690 5.174 1.00 1.00 N ATOM 649 CA ILE A 44 -0.376 -9.289 3.847 1.00 1.00 C ATOM 650 C ILE A 44 0.152 -7.893 3.548 1.00 1.00 C ATOM 651 O ILE A 44 0.205 -7.050 4.443 1.00 1.00 O ATOM 652 CB ILE A 44 -1.908 -9.289 3.790 1.00 1.00 C ATOM 653 CG1 ILE A 44 -2.422 -10.667 4.191 1.00 1.00 C ATOM 654 CG2 ILE A 44 -2.379 -8.975 2.367 1.00 1.00 C ATOM 655 CD1 ILE A 44 -3.948 -10.636 4.276 1.00 1.00 C ATOM 0 H ILE A 44 -0.595 -9.516 5.921 1.00 1.00 H new ATOM 0 HA ILE A 44 -0.001 -9.994 3.105 1.00 1.00 H new ATOM 0 HB ILE A 44 -2.293 -8.531 4.472 1.00 1.00 H new ATOM 0 HG12 ILE A 44 -2.103 -11.412 3.463 1.00 1.00 H new ATOM 0 HG13 ILE A 44 -1.999 -10.959 5.152 1.00 1.00 H new ATOM 0 HG21 ILE A 44 -3.469 -8.977 2.336 1.00 1.00 H new ATOM 0 HG22 ILE A 44 -2.009 -7.994 2.070 1.00 1.00 H new ATOM 0 HG23 ILE A 44 -1.995 -9.730 1.682 1.00 1.00 H new ATOM 0 HD11 ILE A 44 -4.317 -11.621 4.563 1.00 1.00 H new ATOM 0 HD12 ILE A 44 -4.256 -9.902 5.021 1.00 1.00 H new ATOM 0 HD13 ILE A 44 -4.361 -10.363 3.305 1.00 1.00 H new ATOM 667 N SER A 45 0.531 -7.632 2.298 1.00 1.00 N ATOM 668 CA SER A 45 1.042 -6.309 1.921 1.00 1.00 C ATOM 669 C SER A 45 0.034 -5.608 1.029 1.00 1.00 C ATOM 670 O SER A 45 -0.190 -6.016 -0.110 1.00 1.00 O ATOM 671 CB SER A 45 2.367 -6.454 1.175 1.00 1.00 C ATOM 672 OG SER A 45 3.254 -7.254 1.946 1.00 1.00 O ATOM 0 H SER A 45 0.496 -8.308 1.535 1.00 1.00 H new ATOM 0 HA SER A 45 1.202 -5.720 2.824 1.00 1.00 H new ATOM 0 HB2 SER A 45 2.201 -6.912 0.200 1.00 1.00 H new ATOM 0 HB3 SER A 45 2.806 -5.473 0.996 1.00 1.00 H new ATOM 0 HG SER A 45 3.613 -6.723 2.687 1.00 1.00 H new ATOM 678 N CYS A 46 -0.573 -4.549 1.559 1.00 1.00 N ATOM 679 CA CYS A 46 -1.560 -3.784 0.807 1.00 1.00 C ATOM 680 C CYS A 46 -1.026 -2.408 0.477 1.00 1.00 C ATOM 681 O CYS A 46 -0.306 -1.806 1.265 1.00 1.00 O ATOM 682 CB CYS A 46 -2.854 -3.649 1.611 1.00 1.00 C ATOM 683 SG CYS A 46 -3.693 -5.248 1.668 1.00 1.00 S ATOM 0 H CYS A 46 -0.399 -4.203 2.503 1.00 1.00 H new ATOM 0 HA CYS A 46 -1.767 -4.317 -0.121 1.00 1.00 H new ATOM 0 HB2 CYS A 46 -2.633 -3.305 2.622 1.00 1.00 H new ATOM 0 HB3 CYS A 46 -3.503 -2.901 1.155 1.00 1.00 H new ATOM 688 N CYS A 47 -1.400 -1.913 -0.696 1.00 1.00 N ATOM 689 CA CYS A 47 -0.954 -0.582 -1.120 1.00 1.00 C ATOM 690 C CYS A 47 -2.020 0.167 -1.904 1.00 1.00 C ATOM 691 O CYS A 47 -2.830 -0.422 -2.622 1.00 1.00 O ATOM 692 CB CYS A 47 0.340 -0.668 -1.931 1.00 1.00 C ATOM 693 SG CYS A 47 1.149 0.953 -1.886 1.00 1.00 S ATOM 0 H CYS A 47 -2.000 -2.398 -1.363 1.00 1.00 H new ATOM 0 HA CYS A 47 -0.762 -0.015 -0.209 1.00 1.00 H new ATOM 0 HB2 CYS A 47 0.998 -1.432 -1.517 1.00 1.00 H new ATOM 0 HB3 CYS A 47 0.125 -0.956 -2.960 1.00 1.00 H new ATOM 698 N ASN A 48 -1.995 1.489 -1.742 1.00 1.00 N ATOM 699 CA ASN A 48 -2.939 2.373 -2.409 1.00 1.00 C ATOM 700 C ASN A 48 -2.470 2.703 -3.818 1.00 1.00 C ATOM 701 O ASN A 48 -1.329 3.115 -4.028 1.00 1.00 O ATOM 702 CB ASN A 48 -3.081 3.672 -1.599 1.00 1.00 C ATOM 703 CG ASN A 48 -3.741 4.772 -2.434 1.00 1.00 C ATOM 704 OD1 ASN A 48 -4.967 4.876 -2.474 1.00 1.00 O ATOM 705 ND2 ASN A 48 -2.989 5.600 -3.113 1.00 1.00 N ATOM 0 H ASN A 48 -1.322 1.972 -1.147 1.00 1.00 H new ATOM 0 HA ASN A 48 -3.902 1.867 -2.475 1.00 1.00 H new ATOM 0 HB2 ASN A 48 -3.675 3.484 -0.705 1.00 1.00 H new ATOM 0 HB3 ASN A 48 -2.099 4.005 -1.264 1.00 1.00 H new ATOM 0 HD21 ASN A 48 -3.418 6.334 -3.677 1.00 1.00 H new ATOM 0 HD22 ASN A 48 -1.973 5.512 -3.078 1.00 1.00 H new ATOM 712 N THR A 49 -3.373 2.542 -4.774 1.00 1.00 N ATOM 713 CA THR A 49 -3.069 2.851 -6.167 1.00 1.00 C ATOM 714 C THR A 49 -3.607 4.231 -6.512 1.00 1.00 C ATOM 715 O THR A 49 -3.553 4.655 -7.666 1.00 1.00 O ATOM 716 CB THR A 49 -3.716 1.827 -7.095 1.00 1.00 C ATOM 717 OG1 THR A 49 -5.123 2.005 -7.073 1.00 1.00 O ATOM 718 CG2 THR A 49 -3.363 0.413 -6.633 1.00 1.00 C ATOM 0 H THR A 49 -4.320 2.200 -4.613 1.00 1.00 H new ATOM 0 HA THR A 49 -1.987 2.824 -6.298 1.00 1.00 H new ATOM 0 HB THR A 49 -3.346 1.968 -8.111 1.00 1.00 H new ATOM 0 HG1 THR A 49 -5.555 1.163 -6.818 1.00 1.00 H new ATOM 0 HG21 THR A 49 -3.828 -0.314 -7.299 1.00 1.00 H new ATOM 0 HG22 THR A 49 -2.281 0.283 -6.652 1.00 1.00 H new ATOM 0 HG23 THR A 49 -3.729 0.260 -5.618 1.00 1.00 H new ATOM 726 N ALA A 50 -4.134 4.929 -5.509 1.00 1.00 N ATOM 727 CA ALA A 50 -4.688 6.261 -5.719 1.00 1.00 C ATOM 728 C ALA A 50 -3.585 7.318 -5.685 1.00 1.00 C ATOM 729 O ALA A 50 -2.825 7.411 -4.721 1.00 1.00 O ATOM 730 CB ALA A 50 -5.720 6.556 -4.621 1.00 1.00 C ATOM 0 H ALA A 50 -4.188 4.595 -4.547 1.00 1.00 H new ATOM 0 HA ALA A 50 -5.165 6.294 -6.698 1.00 1.00 H new ATOM 0 HB1 ALA A 50 -6.138 7.551 -4.773 1.00 1.00 H new ATOM 0 HB2 ALA A 50 -6.519 5.816 -4.665 1.00 1.00 H new ATOM 0 HB3 ALA A 50 -5.236 6.510 -3.645 1.00 1.00 H new ATOM 736 N ALA A 51 -3.500 8.099 -6.755 1.00 1.00 N ATOM 737 CA ALA A 51 -2.489 9.143 -6.873 1.00 1.00 C ATOM 738 C ALA A 51 -2.606 10.162 -5.732 1.00 1.00 C ATOM 739 O ALA A 51 -3.700 10.578 -5.379 1.00 1.00 O ATOM 740 CB ALA A 51 -2.689 9.843 -8.223 1.00 1.00 C ATOM 0 H ALA A 51 -4.124 8.028 -7.559 1.00 1.00 H new ATOM 0 HA ALA A 51 -1.496 8.697 -6.812 1.00 1.00 H new ATOM 0 HB1 ALA A 51 -1.944 10.631 -8.338 1.00 1.00 H new ATOM 0 HB2 ALA A 51 -2.578 9.118 -9.029 1.00 1.00 H new ATOM 0 HB3 ALA A 51 -3.687 10.279 -8.262 1.00 1.00 H new ATOM 746 N ILE A 52 -1.469 10.558 -5.155 1.00 1.00 N ATOM 747 CA ILE A 52 -1.465 11.520 -4.047 1.00 1.00 C ATOM 748 C ILE A 52 -1.063 12.935 -4.523 1.00 1.00 C ATOM 749 O ILE A 52 0.118 13.179 -4.759 1.00 1.00 O ATOM 750 CB ILE A 52 -0.462 11.061 -2.986 1.00 1.00 C ATOM 751 CG1 ILE A 52 -0.684 9.574 -2.666 1.00 1.00 C ATOM 752 CG2 ILE A 52 -0.648 11.896 -1.716 1.00 1.00 C ATOM 753 CD1 ILE A 52 -2.156 9.313 -2.321 1.00 1.00 C ATOM 0 H ILE A 52 -0.544 10.231 -5.433 1.00 1.00 H new ATOM 0 HA ILE A 52 -2.474 11.565 -3.638 1.00 1.00 H new ATOM 0 HB ILE A 52 0.551 11.195 -3.365 1.00 1.00 H new ATOM 0 HG12 ILE A 52 -0.391 8.964 -3.521 1.00 1.00 H new ATOM 0 HG13 ILE A 52 -0.050 9.277 -1.830 1.00 1.00 H new ATOM 0 HG21 ILE A 52 0.065 11.571 -0.959 1.00 1.00 H new ATOM 0 HG22 ILE A 52 -0.480 12.948 -1.945 1.00 1.00 H new ATOM 0 HG23 ILE A 52 -1.662 11.764 -1.339 1.00 1.00 H new ATOM 0 HD11 ILE A 52 -2.295 8.255 -2.097 1.00 1.00 H new ATOM 0 HD12 ILE A 52 -2.437 9.908 -1.452 1.00 1.00 H new ATOM 0 HD13 ILE A 52 -2.783 9.590 -3.168 1.00 1.00 H new ATOM 765 N PRO A 53 -1.993 13.876 -4.665 1.00 1.00 N ATOM 766 CA PRO A 53 -1.662 15.273 -5.114 1.00 1.00 C ATOM 767 C PRO A 53 -0.749 15.992 -4.123 1.00 1.00 C ATOM 768 O PRO A 53 -0.751 15.680 -2.930 1.00 1.00 O ATOM 769 CB PRO A 53 -3.030 15.968 -5.223 1.00 1.00 C ATOM 770 CG PRO A 53 -3.932 15.174 -4.343 1.00 1.00 C ATOM 771 CD PRO A 53 -3.441 13.733 -4.430 1.00 1.00 C ATOM 0 HA PRO A 53 -1.113 15.280 -6.055 1.00 1.00 H new ATOM 0 HB2 PRO A 53 -2.973 17.007 -4.897 1.00 1.00 H new ATOM 0 HB3 PRO A 53 -3.388 15.976 -6.252 1.00 1.00 H new ATOM 0 HG2 PRO A 53 -3.895 15.538 -3.316 1.00 1.00 H new ATOM 0 HG3 PRO A 53 -4.968 15.254 -4.672 1.00 1.00 H new ATOM 0 HD2 PRO A 53 -3.646 13.183 -3.512 1.00 1.00 H new ATOM 0 HD3 PRO A 53 -3.928 13.191 -5.241 1.00 1.00 H new ATOM 779 N THR A 54 0.039 16.953 -4.619 1.00 1.00 N ATOM 780 CA THR A 54 0.959 17.697 -3.751 1.00 1.00 C ATOM 781 C THR A 54 1.104 19.147 -4.215 1.00 1.00 C ATOM 782 O THR A 54 0.665 19.508 -5.308 1.00 1.00 O ATOM 783 CB THR A 54 2.344 17.032 -3.763 1.00 1.00 C ATOM 784 OG1 THR A 54 3.139 17.624 -4.780 1.00 1.00 O ATOM 785 CG2 THR A 54 2.202 15.538 -4.052 1.00 1.00 C ATOM 0 H THR A 54 0.059 17.231 -5.600 1.00 1.00 H new ATOM 0 HA THR A 54 0.546 17.688 -2.742 1.00 1.00 H new ATOM 0 HB THR A 54 2.815 17.171 -2.790 1.00 1.00 H new ATOM 0 HG1 THR A 54 2.981 17.162 -5.630 1.00 1.00 H new ATOM 0 HG21 THR A 54 3.188 15.073 -4.059 1.00 1.00 H new ATOM 0 HG22 THR A 54 1.588 15.075 -3.280 1.00 1.00 H new ATOM 0 HG23 THR A 54 1.729 15.399 -5.024 1.00 1.00 H new ATOM 793 N GLY A 55 1.757 19.963 -3.389 1.00 1.00 N ATOM 794 CA GLY A 55 1.994 21.364 -3.730 1.00 1.00 C ATOM 795 C GLY A 55 0.792 22.241 -3.417 1.00 1.00 C ATOM 796 O GLY A 55 0.808 23.443 -3.682 1.00 1.00 O ATOM 0 H GLY A 55 2.130 19.679 -2.483 1.00 1.00 H new ATOM 0 HA2 GLY A 55 2.861 21.729 -3.180 1.00 1.00 H new ATOM 0 HA3 GLY A 55 2.233 21.443 -4.790 1.00 1.00 H new ATOM 800 N TYR A 56 -0.251 21.650 -2.850 1.00 1.00 N ATOM 801 CA TYR A 56 -1.438 22.406 -2.515 1.00 1.00 C ATOM 802 C TYR A 56 -1.223 23.180 -1.229 1.00 1.00 C ATOM 803 O TYR A 56 -0.270 22.935 -0.486 1.00 1.00 O ATOM 804 CB TYR A 56 -2.637 21.468 -2.377 1.00 1.00 C ATOM 805 CG TYR A 56 -2.365 20.439 -1.315 1.00 1.00 C ATOM 806 CD1 TYR A 56 -2.647 20.727 0.020 1.00 1.00 C ATOM 807 CD2 TYR A 56 -1.842 19.188 -1.669 1.00 1.00 C ATOM 808 CE1 TYR A 56 -2.407 19.769 1.007 1.00 1.00 C ATOM 809 CE2 TYR A 56 -1.598 18.228 -0.682 1.00 1.00 C ATOM 810 CZ TYR A 56 -1.882 18.519 0.658 1.00 1.00 C ATOM 811 OH TYR A 56 -1.642 17.575 1.634 1.00 1.00 O ATOM 0 H TYR A 56 -0.295 20.658 -2.616 1.00 1.00 H new ATOM 0 HA TYR A 56 -1.640 23.116 -3.317 1.00 1.00 H new ATOM 0 HB2 TYR A 56 -3.529 22.040 -2.121 1.00 1.00 H new ATOM 0 HB3 TYR A 56 -2.836 20.976 -3.329 1.00 1.00 H new ATOM 0 HD1 TYR A 56 -3.051 21.691 0.291 1.00 1.00 H new ATOM 0 HD2 TYR A 56 -1.627 18.965 -2.704 1.00 1.00 H new ATOM 0 HE1 TYR A 56 -2.627 19.992 2.041 1.00 1.00 H new ATOM 0 HE2 TYR A 56 -1.192 17.265 -0.952 1.00 1.00 H new ATOM 0 HH TYR A 56 -1.279 16.763 1.222 1.00 1.00 H new ATOM 821 N ASP A 57 -2.111 24.124 -0.977 1.00 1.00 N ATOM 822 CA ASP A 57 -2.001 24.938 0.216 1.00 1.00 C ATOM 823 C ASP A 57 -2.150 24.055 1.443 1.00 1.00 C ATOM 824 O ASP A 57 -3.258 23.732 1.862 1.00 1.00 O ATOM 825 CB ASP A 57 -3.073 26.019 0.222 1.00 1.00 C ATOM 826 CG ASP A 57 -2.932 26.905 -1.012 1.00 1.00 C ATOM 827 OD1 ASP A 57 -1.809 27.220 -1.368 1.00 1.00 O ATOM 828 OD2 ASP A 57 -3.952 27.259 -1.581 1.00 1.00 O ATOM 0 H ASP A 57 -2.907 24.343 -1.576 1.00 1.00 H new ATOM 0 HA ASP A 57 -1.024 25.420 0.229 1.00 1.00 H new ATOM 0 HB2 ASP A 57 -4.062 25.561 0.239 1.00 1.00 H new ATOM 0 HB3 ASP A 57 -2.986 26.623 1.125 1.00 1.00 H new ATOM 833 N THR A 58 -1.022 23.634 1.977 1.00 1.00 N ATOM 834 CA THR A 58 -1.026 22.748 3.126 1.00 1.00 C ATOM 835 C THR A 58 -1.515 23.460 4.371 1.00 1.00 C ATOM 836 O THR A 58 -1.921 22.817 5.340 1.00 1.00 O ATOM 837 CB THR A 58 0.382 22.208 3.375 1.00 1.00 C ATOM 838 OG1 THR A 58 1.235 23.287 3.740 1.00 1.00 O ATOM 839 CG2 THR A 58 0.911 21.545 2.106 1.00 1.00 C ATOM 0 H THR A 58 -0.095 23.889 1.637 1.00 1.00 H new ATOM 0 HA THR A 58 -1.707 21.925 2.908 1.00 1.00 H new ATOM 0 HB THR A 58 0.355 21.471 4.178 1.00 1.00 H new ATOM 0 HG1 THR A 58 2.140 22.948 3.903 1.00 1.00 H new ATOM 0 HG21 THR A 58 1.915 21.161 2.287 1.00 1.00 H new ATOM 0 HG22 THR A 58 0.254 20.723 1.824 1.00 1.00 H new ATOM 0 HG23 THR A 58 0.943 22.277 1.299 1.00 1.00 H new ATOM 847 N ASN A 59 -1.474 24.786 4.359 1.00 1.00 N ATOM 848 CA ASN A 59 -1.916 25.557 5.512 1.00 1.00 C ATOM 849 C ASN A 59 -3.357 26.008 5.323 1.00 1.00 C ATOM 850 O ASN A 59 -3.964 26.560 6.240 1.00 1.00 O ATOM 851 CB ASN A 59 -1.009 26.778 5.691 1.00 1.00 C ATOM 852 CG ASN A 59 0.405 26.319 6.038 1.00 1.00 C ATOM 853 OD1 ASN A 59 1.165 25.926 5.155 1.00 1.00 O ATOM 854 ND2 ASN A 59 0.804 26.348 7.280 1.00 1.00 N ATOM 0 H ASN A 59 -1.143 25.345 3.572 1.00 1.00 H new ATOM 0 HA ASN A 59 -1.859 24.929 6.401 1.00 1.00 H new ATOM 0 HB2 ASN A 59 -0.996 27.371 4.776 1.00 1.00 H new ATOM 0 HB3 ASN A 59 -1.398 27.420 6.481 1.00 1.00 H new ATOM 0 HD21 ASN A 59 1.748 26.044 7.520 1.00 1.00 H new ATOM 0 HD22 ASN A 59 0.172 26.674 8.011 1.00 1.00 H new ATOM 861 N LYS A 60 -3.905 25.778 4.124 1.00 1.00 N ATOM 862 CA LYS A 60 -5.283 26.178 3.818 1.00 1.00 C ATOM 863 C LYS A 60 -6.111 25.012 3.291 1.00 1.00 C ATOM 864 O LYS A 60 -7.278 24.875 3.650 1.00 1.00 O ATOM 865 CB LYS A 60 -5.261 27.291 2.763 1.00 1.00 C ATOM 866 CG LYS A 60 -6.559 28.100 2.820 1.00 1.00 C ATOM 867 CD LYS A 60 -6.466 29.289 1.853 1.00 1.00 C ATOM 868 CE LYS A 60 -5.517 30.378 2.403 1.00 1.00 C ATOM 869 NZ LYS A 60 -6.263 31.661 2.503 1.00 1.00 N ATOM 0 H LYS A 60 -3.418 25.320 3.354 1.00 1.00 H new ATOM 0 HA LYS A 60 -5.743 26.528 4.742 1.00 1.00 H new ATOM 0 HB2 LYS A 60 -4.407 27.947 2.934 1.00 1.00 H new ATOM 0 HB3 LYS A 60 -5.137 26.858 1.770 1.00 1.00 H new ATOM 0 HG2 LYS A 60 -7.406 27.467 2.554 1.00 1.00 H new ATOM 0 HG3 LYS A 60 -6.733 28.456 3.835 1.00 1.00 H new ATOM 0 HD2 LYS A 60 -6.108 28.946 0.883 1.00 1.00 H new ATOM 0 HD3 LYS A 60 -7.458 29.712 1.695 1.00 1.00 H new ATOM 0 HE2 LYS A 60 -5.136 30.086 3.382 1.00 1.00 H new ATOM 0 HE3 LYS A 60 -4.655 30.493 1.746 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 -5.633 32.401 2.872 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 -6.606 31.937 1.561 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 -7.072 31.543 3.146 1.00 1.00 H new ATOM 883 N CYS A 61 -5.524 24.207 2.398 1.00 1.00 N ATOM 884 CA CYS A 61 -6.240 23.082 1.792 1.00 1.00 C ATOM 885 C CYS A 61 -5.739 21.772 2.337 1.00 1.00 C ATOM 886 O CYS A 61 -4.778 21.730 3.105 1.00 1.00 O ATOM 887 CB CYS A 61 -6.084 23.089 0.271 1.00 1.00 C ATOM 888 SG CYS A 61 -6.504 24.716 -0.400 1.00 1.00 S ATOM 0 H CYS A 61 -4.560 24.314 2.081 1.00 1.00 H new ATOM 0 HA CYS A 61 -7.295 23.194 2.042 1.00 1.00 H new ATOM 0 HB2 CYS A 61 -5.059 22.832 0.003 1.00 1.00 H new ATOM 0 HB3 CYS A 61 -6.729 22.329 -0.170 1.00 1.00 H new ATOM 893 N GLN A 62 -6.395 20.691 1.935 1.00 1.00 N ATOM 894 CA GLN A 62 -6.013 19.365 2.402 1.00 1.00 C ATOM 895 C GLN A 62 -6.321 18.304 1.357 1.00 1.00 C ATOM 896 O GLN A 62 -7.067 18.538 0.409 1.00 1.00 O ATOM 897 CB GLN A 62 -6.782 19.043 3.693 1.00 1.00 C ATOM 898 CG GLN A 62 -8.184 19.659 3.614 1.00 1.00 C ATOM 899 CD GLN A 62 -8.985 19.281 4.850 1.00 1.00 C ATOM 900 OE1 GLN A 62 -10.071 18.574 4.718 1.00 1.00 O flip ATOM 901 NE2 GLN A 62 -8.610 19.640 5.965 1.00 1.00 N flip ATOM 0 H GLN A 62 -7.187 20.705 1.292 1.00 1.00 H new ATOM 0 HA GLN A 62 -4.939 19.362 2.589 1.00 1.00 H new ATOM 0 HB2 GLN A 62 -6.853 17.964 3.828 1.00 1.00 H new ATOM 0 HB3 GLN A 62 -6.247 19.438 4.557 1.00 1.00 H new ATOM 0 HG2 GLN A 62 -8.110 20.744 3.535 1.00 1.00 H new ATOM 0 HG3 GLN A 62 -8.695 19.308 2.717 1.00 1.00 H new ATOM 0 HE21 GLN A 62 -7.759 20.193 6.063 1.00 1.00 H new ATOM 0 HE22 GLN A 62 -9.150 19.384 6.792 1.00 1.00 H new ATOM 910 N LYS A 63 -5.740 17.127 1.563 1.00 1.00 N ATOM 911 CA LYS A 63 -5.947 15.991 0.662 1.00 1.00 C ATOM 912 C LYS A 63 -6.925 14.987 1.278 1.00 1.00 C ATOM 913 O LYS A 63 -6.755 14.536 2.411 1.00 1.00 O ATOM 914 CB LYS A 63 -4.601 15.313 0.333 1.00 1.00 C ATOM 915 CG LYS A 63 -4.029 14.527 1.533 1.00 1.00 C ATOM 916 CD LYS A 63 -3.879 15.441 2.758 1.00 1.00 C ATOM 917 CE LYS A 63 -2.956 14.794 3.793 1.00 1.00 C ATOM 918 NZ LYS A 63 -2.697 15.778 4.882 1.00 1.00 N ATOM 0 H LYS A 63 -5.119 16.931 2.348 1.00 1.00 H new ATOM 0 HA LYS A 63 -6.380 16.360 -0.267 1.00 1.00 H new ATOM 0 HB2 LYS A 63 -4.735 14.636 -0.511 1.00 1.00 H new ATOM 0 HB3 LYS A 63 -3.882 16.071 0.022 1.00 1.00 H new ATOM 0 HG2 LYS A 63 -4.687 13.692 1.774 1.00 1.00 H new ATOM 0 HG3 LYS A 63 -3.060 14.103 1.268 1.00 1.00 H new ATOM 0 HD2 LYS A 63 -3.475 16.406 2.453 1.00 1.00 H new ATOM 0 HD3 LYS A 63 -4.857 15.631 3.201 1.00 1.00 H new ATOM 0 HE2 LYS A 63 -3.416 13.893 4.199 1.00 1.00 H new ATOM 0 HE3 LYS A 63 -2.019 14.491 3.327 1.00 1.00 H new ATOM 0 HZ1 LYS A 63 -2.070 15.351 5.594 1.00 1.00 H new ATOM 0 HZ2 LYS A 63 -2.243 16.625 4.484 1.00 1.00 H new ATOM 0 HZ3 LYS A 63 -3.597 16.046 5.329 1.00 1.00 H new ATOM 932 N ILE A 64 -7.968 14.655 0.518 1.00 1.00 N ATOM 933 CA ILE A 64 -8.988 13.711 0.978 1.00 1.00 C ATOM 934 C ILE A 64 -9.223 12.651 -0.094 1.00 1.00 C ATOM 935 O ILE A 64 -9.451 12.979 -1.258 1.00 1.00 O ATOM 936 CB ILE A 64 -10.303 14.445 1.272 1.00 1.00 C ATOM 937 CG1 ILE A 64 -10.060 15.532 2.336 1.00 1.00 C ATOM 938 CG2 ILE A 64 -11.330 13.443 1.805 1.00 1.00 C ATOM 939 CD1 ILE A 64 -11.336 16.364 2.583 1.00 1.00 C ATOM 0 H ILE A 64 -8.130 15.025 -0.419 1.00 1.00 H new ATOM 0 HA ILE A 64 -8.639 13.235 1.894 1.00 1.00 H new ATOM 0 HB ILE A 64 -10.674 14.906 0.357 1.00 1.00 H new ATOM 0 HG12 ILE A 64 -9.739 15.067 3.268 1.00 1.00 H new ATOM 0 HG13 ILE A 64 -9.252 16.188 2.012 1.00 1.00 H new ATOM 0 HG21 ILE A 64 -12.267 13.959 2.016 1.00 1.00 H new ATOM 0 HG22 ILE A 64 -11.503 12.668 1.059 1.00 1.00 H new ATOM 0 HG23 ILE A 64 -10.953 12.988 2.721 1.00 1.00 H new ATOM 0 HD11 ILE A 64 -11.135 17.123 3.339 1.00 1.00 H new ATOM 0 HD12 ILE A 64 -11.640 16.847 1.655 1.00 1.00 H new ATOM 0 HD13 ILE A 64 -12.135 15.710 2.930 1.00 1.00 H new ATOM 951 N LEU A 65 -9.171 11.382 0.300 1.00 1.00 N ATOM 952 CA LEU A 65 -9.386 10.288 -0.654 1.00 1.00 C ATOM 953 C LEU A 65 -10.861 9.939 -0.752 1.00 1.00 C ATOM 954 O LEU A 65 -11.479 9.508 0.224 1.00 1.00 O ATOM 955 CB LEU A 65 -8.572 9.046 -0.239 1.00 1.00 C ATOM 956 CG LEU A 65 -8.955 7.824 -1.105 1.00 1.00 C ATOM 957 CD1 LEU A 65 -8.766 8.142 -2.592 1.00 1.00 C ATOM 958 CD2 LEU A 65 -8.055 6.640 -0.732 1.00 1.00 C ATOM 0 H LEU A 65 -8.985 11.084 1.258 1.00 1.00 H new ATOM 0 HA LEU A 65 -9.046 10.620 -1.635 1.00 1.00 H new ATOM 0 HB2 LEU A 65 -7.507 9.252 -0.344 1.00 1.00 H new ATOM 0 HB3 LEU A 65 -8.752 8.823 0.813 1.00 1.00 H new ATOM 0 HG LEU A 65 -10.001 7.577 -0.923 1.00 1.00 H new ATOM 0 HD11 LEU A 65 -9.040 7.271 -3.188 1.00 1.00 H new ATOM 0 HD12 LEU A 65 -9.400 8.984 -2.867 1.00 1.00 H new ATOM 0 HD13 LEU A 65 -7.723 8.397 -2.780 1.00 1.00 H new ATOM 0 HD21 LEU A 65 -8.321 5.775 -1.340 1.00 1.00 H new ATOM 0 HD22 LEU A 65 -7.013 6.904 -0.913 1.00 1.00 H new ATOM 0 HD23 LEU A 65 -8.190 6.398 0.322 1.00 1.00 H new ATOM 970 N ASN A 66 -11.425 10.121 -1.942 1.00 1.00 N ATOM 971 CA ASN A 66 -12.823 9.818 -2.163 1.00 1.00 C ATOM 972 C ASN A 66 -12.966 8.310 -2.287 1.00 1.00 C ATOM 973 O ASN A 66 -12.242 7.680 -3.047 1.00 1.00 O ATOM 974 CB ASN A 66 -13.311 10.537 -3.454 1.00 1.00 C ATOM 975 CG ASN A 66 -14.093 9.593 -4.360 1.00 1.00 C ATOM 976 OD1 ASN A 66 -15.086 8.928 -3.865 1.00 1.00 O flip ATOM 977 ND2 ASN A 66 -13.769 9.448 -5.541 1.00 1.00 N flip ATOM 0 H ASN A 66 -10.932 10.476 -2.762 1.00 1.00 H new ATOM 0 HA ASN A 66 -13.435 10.170 -1.332 1.00 1.00 H new ATOM 0 HB2 ASN A 66 -13.939 11.386 -3.183 1.00 1.00 H new ATOM 0 HB3 ASN A 66 -12.453 10.935 -3.996 1.00 1.00 H new ATOM 0 HD21 ASN A 66 -12.985 9.976 -5.923 1.00 1.00 H new ATOM 0 HD22 ASN A 66 -14.285 8.800 -6.136 1.00 1.00 H new ATOM 984 N LYS A 67 -13.884 7.729 -1.523 1.00 1.00 N ATOM 985 CA LYS A 67 -14.083 6.285 -1.562 1.00 1.00 C ATOM 986 C LYS A 67 -15.148 5.916 -2.577 1.00 1.00 C ATOM 987 O LYS A 67 -15.221 4.770 -3.024 1.00 1.00 O ATOM 988 CB LYS A 67 -14.497 5.780 -0.169 1.00 1.00 C ATOM 989 CG LYS A 67 -13.328 5.939 0.846 1.00 1.00 C ATOM 990 CD LYS A 67 -13.599 7.113 1.800 1.00 1.00 C ATOM 991 CE LYS A 67 -12.353 7.370 2.649 1.00 1.00 C ATOM 992 NZ LYS A 67 -12.003 6.134 3.404 1.00 1.00 N ATOM 0 H LYS A 67 -14.495 8.228 -0.877 1.00 1.00 H new ATOM 0 HA LYS A 67 -13.145 5.815 -1.857 1.00 1.00 H new ATOM 0 HB2 LYS A 67 -15.367 6.336 0.181 1.00 1.00 H new ATOM 0 HB3 LYS A 67 -14.792 4.732 -0.230 1.00 1.00 H new ATOM 0 HG2 LYS A 67 -13.207 5.019 1.418 1.00 1.00 H new ATOM 0 HG3 LYS A 67 -12.394 6.106 0.310 1.00 1.00 H new ATOM 0 HD2 LYS A 67 -13.857 8.007 1.232 1.00 1.00 H new ATOM 0 HD3 LYS A 67 -14.450 6.886 2.442 1.00 1.00 H new ATOM 0 HE2 LYS A 67 -11.520 7.668 2.011 1.00 1.00 H new ATOM 0 HE3 LYS A 67 -12.535 8.192 3.341 1.00 1.00 H new ATOM 0 HZ1 LYS A 67 -11.667 6.391 4.354 1.00 1.00 H new ATOM 0 HZ2 LYS A 67 -12.844 5.527 3.486 1.00 1.00 H new ATOM 0 HZ3 LYS A 67 -11.253 5.620 2.899 1.00 1.00 H new ATOM 1006 N LYS A 68 -15.966 6.889 -2.952 1.00 1.00 N ATOM 1007 CA LYS A 68 -17.010 6.629 -3.927 1.00 1.00 C ATOM 1008 C LYS A 68 -16.383 6.121 -5.216 1.00 1.00 C ATOM 1009 O LYS A 68 -16.736 5.044 -5.699 1.00 1.00 O ATOM 1010 CB LYS A 68 -17.810 7.906 -4.231 1.00 1.00 C ATOM 1011 CG LYS A 68 -18.165 8.626 -2.924 1.00 1.00 C ATOM 1012 CD LYS A 68 -18.978 9.900 -3.225 1.00 1.00 C ATOM 1013 CE LYS A 68 -18.037 11.069 -3.559 1.00 1.00 C ATOM 1014 NZ LYS A 68 -17.167 11.363 -2.384 1.00 1.00 N ATOM 0 H LYS A 68 -15.928 7.847 -2.603 1.00 1.00 H new ATOM 0 HA LYS A 68 -17.686 5.881 -3.513 1.00 1.00 H new ATOM 0 HB2 LYS A 68 -17.227 8.566 -4.873 1.00 1.00 H new ATOM 0 HB3 LYS A 68 -18.720 7.654 -4.776 1.00 1.00 H new ATOM 0 HG2 LYS A 68 -18.740 7.962 -2.279 1.00 1.00 H new ATOM 0 HG3 LYS A 68 -17.255 8.885 -2.384 1.00 1.00 H new ATOM 0 HD2 LYS A 68 -19.654 9.719 -4.061 1.00 1.00 H new ATOM 0 HD3 LYS A 68 -19.596 10.157 -2.365 1.00 1.00 H new ATOM 0 HE2 LYS A 68 -17.424 10.819 -4.425 1.00 1.00 H new ATOM 0 HE3 LYS A 68 -18.618 11.952 -3.824 1.00 1.00 H new ATOM 0 HZ1 LYS A 68 -16.923 12.374 -2.377 1.00 1.00 H new ATOM 0 HZ2 LYS A 68 -17.674 11.123 -1.508 1.00 1.00 H new ATOM 0 HZ3 LYS A 68 -16.296 10.798 -2.447 1.00 1.00 H new ATOM 1028 N THR A 69 -15.472 6.912 -5.798 1.00 1.00 N ATOM 1029 CA THR A 69 -14.837 6.528 -7.063 1.00 1.00 C ATOM 1030 C THR A 69 -13.395 6.090 -6.855 1.00 1.00 C ATOM 1031 O THR A 69 -12.740 5.673 -7.804 1.00 1.00 O ATOM 1032 CB THR A 69 -14.868 7.707 -8.044 1.00 1.00 C ATOM 1033 OG1 THR A 69 -13.800 8.594 -7.747 1.00 1.00 O ATOM 1034 CG2 THR A 69 -16.201 8.450 -7.921 1.00 1.00 C ATOM 0 H THR A 69 -15.163 7.807 -5.420 1.00 1.00 H new ATOM 0 HA THR A 69 -15.397 5.687 -7.471 1.00 1.00 H new ATOM 0 HB THR A 69 -14.760 7.333 -9.062 1.00 1.00 H new ATOM 0 HG1 THR A 69 -13.817 9.348 -8.373 1.00 1.00 H new ATOM 0 HG21 THR A 69 -16.217 9.286 -8.620 1.00 1.00 H new ATOM 0 HG22 THR A 69 -17.020 7.769 -8.151 1.00 1.00 H new ATOM 0 HG23 THR A 69 -16.316 8.825 -6.904 1.00 1.00 H new ATOM 1042 N CYS A 70 -12.911 6.191 -5.618 1.00 1.00 N ATOM 1043 CA CYS A 70 -11.538 5.795 -5.296 1.00 1.00 C ATOM 1044 C CYS A 70 -10.523 6.696 -6.022 1.00 1.00 C ATOM 1045 O CYS A 70 -9.679 6.251 -6.794 1.00 1.00 O ATOM 1046 CB CYS A 70 -11.344 4.297 -5.607 1.00 1.00 C ATOM 1047 SG CYS A 70 -10.759 4.020 -7.299 1.00 1.00 S ATOM 0 H CYS A 70 -13.446 6.542 -4.824 1.00 1.00 H new ATOM 0 HA CYS A 70 -11.356 5.933 -4.230 1.00 1.00 H new ATOM 0 HB2 CYS A 70 -10.629 3.871 -4.903 1.00 1.00 H new ATOM 0 HB3 CYS A 70 -12.288 3.772 -5.460 1.00 1.00 H new ATOM 1052 N THR A 71 -10.616 7.991 -5.735 1.00 1.00 N ATOM 1053 CA THR A 71 -9.720 8.984 -6.333 1.00 1.00 C ATOM 1054 C THR A 71 -9.420 10.095 -5.335 1.00 1.00 C ATOM 1055 O THR A 71 -10.261 10.449 -4.514 1.00 1.00 O ATOM 1056 CB THR A 71 -10.371 9.583 -7.583 1.00 1.00 C ATOM 1057 OG1 THR A 71 -10.772 8.533 -8.450 1.00 1.00 O ATOM 1058 CG2 THR A 71 -9.365 10.481 -8.302 1.00 1.00 C ATOM 0 H THR A 71 -11.304 8.381 -5.091 1.00 1.00 H new ATOM 0 HA THR A 71 -8.787 8.492 -6.608 1.00 1.00 H new ATOM 0 HB THR A 71 -11.241 10.173 -7.295 1.00 1.00 H new ATOM 0 HG1 THR A 71 -11.741 8.403 -8.380 1.00 1.00 H new ATOM 0 HG21 THR A 71 -9.829 10.907 -9.192 1.00 1.00 H new ATOM 0 HG22 THR A 71 -9.053 11.285 -7.635 1.00 1.00 H new ATOM 0 HG23 THR A 71 -8.495 9.892 -8.593 1.00 1.00 H new ATOM 1066 N TYR A 72 -8.218 10.652 -5.415 1.00 1.00 N ATOM 1067 CA TYR A 72 -7.823 11.732 -4.514 1.00 1.00 C ATOM 1068 C TYR A 72 -8.333 13.078 -5.015 1.00 1.00 C ATOM 1069 O TYR A 72 -8.422 13.327 -6.217 1.00 1.00 O ATOM 1070 CB TYR A 72 -6.288 11.773 -4.376 1.00 1.00 C ATOM 1071 CG TYR A 72 -5.837 11.146 -3.071 1.00 1.00 C ATOM 1072 CD1 TYR A 72 -5.814 11.931 -1.911 1.00 1.00 C ATOM 1073 CD2 TYR A 72 -5.436 9.807 -3.018 1.00 1.00 C ATOM 1074 CE1 TYR A 72 -5.393 11.378 -0.698 1.00 1.00 C ATOM 1075 CE2 TYR A 72 -5.010 9.253 -1.802 1.00 1.00 C ATOM 1076 CZ TYR A 72 -4.989 10.041 -0.642 1.00 1.00 C ATOM 1077 OH TYR A 72 -4.570 9.497 0.555 1.00 1.00 O ATOM 0 H TYR A 72 -7.503 10.378 -6.089 1.00 1.00 H new ATOM 0 HA TYR A 72 -8.268 11.538 -3.538 1.00 1.00 H new ATOM 0 HB2 TYR A 72 -5.831 11.245 -5.213 1.00 1.00 H new ATOM 0 HB3 TYR A 72 -5.944 12.806 -4.424 1.00 1.00 H new ATOM 0 HD1 TYR A 72 -6.122 12.965 -1.954 1.00 1.00 H new ATOM 0 HD2 TYR A 72 -5.454 9.201 -3.912 1.00 1.00 H new ATOM 0 HE1 TYR A 72 -5.380 11.984 0.196 1.00 1.00 H new ATOM 0 HE2 TYR A 72 -4.698 8.220 -1.759 1.00 1.00 H new ATOM 0 HH TYR A 72 -4.325 8.558 0.420 1.00 1.00 H new ATOM 1087 N THR A 73 -8.637 13.947 -4.060 1.00 1.00 N ATOM 1088 CA THR A 73 -9.107 15.290 -4.355 1.00 1.00 C ATOM 1089 C THR A 73 -8.574 16.231 -3.293 1.00 1.00 C ATOM 1090 O THR A 73 -8.281 15.809 -2.175 1.00 1.00 O ATOM 1091 CB THR A 73 -10.637 15.340 -4.358 1.00 1.00 C ATOM 1092 OG1 THR A 73 -11.060 16.686 -4.528 1.00 1.00 O ATOM 1093 CG2 THR A 73 -11.175 14.798 -3.031 1.00 1.00 C ATOM 0 H THR A 73 -8.564 13.740 -3.064 1.00 1.00 H new ATOM 0 HA THR A 73 -8.752 15.586 -5.342 1.00 1.00 H new ATOM 0 HB THR A 73 -11.019 14.728 -5.175 1.00 1.00 H new ATOM 0 HG1 THR A 73 -12.039 16.723 -4.532 1.00 1.00 H new ATOM 0 HG21 THR A 73 -12.264 14.835 -3.038 1.00 1.00 H new ATOM 0 HG22 THR A 73 -10.848 13.766 -2.900 1.00 1.00 H new ATOM 0 HG23 THR A 73 -10.796 15.406 -2.209 1.00 1.00 H new ATOM 1101 N VAL A 74 -8.450 17.504 -3.637 1.00 1.00 N ATOM 1102 CA VAL A 74 -7.950 18.495 -2.690 1.00 1.00 C ATOM 1103 C VAL A 74 -8.898 19.682 -2.655 1.00 1.00 C ATOM 1104 O VAL A 74 -9.225 20.243 -3.698 1.00 1.00 O ATOM 1105 CB VAL A 74 -6.562 18.955 -3.136 1.00 1.00 C ATOM 1106 CG1 VAL A 74 -5.910 19.794 -2.034 1.00 1.00 C ATOM 1107 CG2 VAL A 74 -5.699 17.727 -3.442 1.00 1.00 C ATOM 0 H VAL A 74 -8.686 17.875 -4.557 1.00 1.00 H new ATOM 0 HA VAL A 74 -7.886 18.058 -1.694 1.00 1.00 H new ATOM 0 HB VAL A 74 -6.652 19.568 -4.033 1.00 1.00 H new ATOM 0 HG11 VAL A 74 -4.921 20.118 -2.360 1.00 1.00 H new ATOM 0 HG12 VAL A 74 -6.528 20.668 -1.828 1.00 1.00 H new ATOM 0 HG13 VAL A 74 -5.815 19.195 -1.128 1.00 1.00 H new ATOM 0 HG21 VAL A 74 -4.708 18.049 -3.761 1.00 1.00 H new ATOM 0 HG22 VAL A 74 -5.610 17.112 -2.546 1.00 1.00 H new ATOM 0 HG23 VAL A 74 -6.164 17.144 -4.237 1.00 1.00 H new ATOM 1117 N VAL A 75 -9.333 20.079 -1.458 1.00 1.00 N ATOM 1118 CA VAL A 75 -10.237 21.221 -1.323 1.00 1.00 C ATOM 1119 C VAL A 75 -9.793 22.110 -0.178 1.00 1.00 C ATOM 1120 O VAL A 75 -9.013 21.695 0.679 1.00 1.00 O ATOM 1121 CB VAL A 75 -11.670 20.756 -1.067 1.00 1.00 C ATOM 1122 CG1 VAL A 75 -12.195 19.988 -2.282 1.00 1.00 C ATOM 1123 CG2 VAL A 75 -11.702 19.849 0.166 1.00 1.00 C ATOM 0 H VAL A 75 -9.077 19.632 -0.577 1.00 1.00 H new ATOM 0 HA VAL A 75 -10.207 21.782 -2.257 1.00 1.00 H new ATOM 0 HB VAL A 75 -12.302 21.627 -0.895 1.00 1.00 H new ATOM 0 HG11 VAL A 75 -13.217 19.660 -2.091 1.00 1.00 H new ATOM 0 HG12 VAL A 75 -12.180 20.637 -3.157 1.00 1.00 H new ATOM 0 HG13 VAL A 75 -11.563 19.119 -2.464 1.00 1.00 H new ATOM 0 HG21 VAL A 75 -12.724 19.518 0.348 1.00 1.00 H new ATOM 0 HG22 VAL A 75 -11.064 18.981 -0.004 1.00 1.00 H new ATOM 0 HG23 VAL A 75 -11.340 20.401 1.033 1.00 1.00 H new ATOM 1133 N GLU A 76 -10.290 23.338 -0.171 1.00 1.00 N ATOM 1134 CA GLU A 76 -9.928 24.282 0.878 1.00 1.00 C ATOM 1135 C GLU A 76 -10.524 23.858 2.222 1.00 1.00 C ATOM 1136 O GLU A 76 -11.680 23.437 2.286 1.00 1.00 O ATOM 1137 CB GLU A 76 -10.451 25.673 0.528 1.00 1.00 C ATOM 1138 CG GLU A 76 -10.106 26.012 -0.922 1.00 1.00 C ATOM 1139 CD GLU A 76 -10.556 27.433 -1.240 1.00 1.00 C ATOM 1140 OE1 GLU A 76 -11.023 28.101 -0.333 1.00 1.00 O ATOM 1141 OE2 GLU A 76 -10.432 27.831 -2.387 1.00 1.00 O ATOM 0 H GLU A 76 -10.937 23.702 -0.870 1.00 1.00 H new ATOM 0 HA GLU A 76 -8.841 24.297 0.957 1.00 1.00 H new ATOM 0 HB2 GLU A 76 -11.531 25.711 0.672 1.00 1.00 H new ATOM 0 HB3 GLU A 76 -10.014 26.414 1.197 1.00 1.00 H new ATOM 0 HG2 GLU A 76 -9.032 25.916 -1.082 1.00 1.00 H new ATOM 0 HG3 GLU A 76 -10.593 25.307 -1.596 1.00 1.00 H new ATOM 1148 N LYS A 77 -9.747 23.995 3.295 1.00 1.00 N ATOM 1149 CA LYS A 77 -10.233 23.645 4.626 1.00 1.00 C ATOM 1150 C LYS A 77 -11.500 24.442 4.943 1.00 1.00 C ATOM 1151 O LYS A 77 -12.477 23.901 5.460 1.00 1.00 O ATOM 1152 CB LYS A 77 -9.160 23.991 5.658 1.00 1.00 C ATOM 1153 CG LYS A 77 -8.023 22.973 5.599 1.00 1.00 C ATOM 1154 CD LYS A 77 -6.830 23.515 6.387 1.00 1.00 C ATOM 1155 CE LYS A 77 -5.775 22.422 6.514 1.00 1.00 C ATOM 1156 NZ LYS A 77 -5.741 21.633 5.259 1.00 1.00 N ATOM 0 H LYS A 77 -8.788 24.342 3.269 1.00 1.00 H new ATOM 0 HA LYS A 77 -10.457 22.579 4.658 1.00 1.00 H new ATOM 0 HB2 LYS A 77 -8.772 24.992 5.468 1.00 1.00 H new ATOM 0 HB3 LYS A 77 -9.596 24.002 6.657 1.00 1.00 H new ATOM 0 HG2 LYS A 77 -8.349 22.020 6.016 1.00 1.00 H new ATOM 0 HG3 LYS A 77 -7.737 22.787 4.564 1.00 1.00 H new ATOM 0 HD2 LYS A 77 -6.410 24.385 5.882 1.00 1.00 H new ATOM 0 HD3 LYS A 77 -7.151 23.844 7.375 1.00 1.00 H new ATOM 0 HE2 LYS A 77 -4.797 22.864 6.707 1.00 1.00 H new ATOM 0 HE3 LYS A 77 -6.005 21.774 7.360 1.00 1.00 H new ATOM 0 HZ1 LYS A 77 -5.151 20.788 5.396 1.00 1.00 H new ATOM 0 HZ2 LYS A 77 -6.707 21.344 5.005 1.00 1.00 H new ATOM 0 HZ3 LYS A 77 -5.341 22.214 4.495 1.00 1.00 H new ATOM 1170 N LYS A 78 -11.464 25.736 4.621 1.00 1.00 N ATOM 1171 CA LYS A 78 -12.603 26.628 4.863 1.00 1.00 C ATOM 1172 C LYS A 78 -13.694 26.411 3.826 1.00 1.00 C ATOM 1173 O LYS A 78 -14.868 26.673 4.081 1.00 1.00 O ATOM 1174 CB LYS A 78 -12.153 28.089 4.771 1.00 1.00 C ATOM 1175 CG LYS A 78 -11.148 28.427 5.876 1.00 1.00 C ATOM 1176 CD LYS A 78 -11.877 28.688 7.201 1.00 1.00 C ATOM 1177 CE LYS A 78 -10.861 29.060 8.280 1.00 1.00 C ATOM 1178 NZ LYS A 78 -11.573 29.298 9.566 1.00 1.00 N ATOM 0 H LYS A 78 -10.659 26.192 4.192 1.00 1.00 H new ATOM 0 HA LYS A 78 -12.990 26.405 5.857 1.00 1.00 H new ATOM 0 HB2 LYS A 78 -11.702 28.273 3.796 1.00 1.00 H new ATOM 0 HB3 LYS A 78 -13.020 28.745 4.850 1.00 1.00 H new ATOM 0 HG2 LYS A 78 -10.442 27.606 5.998 1.00 1.00 H new ATOM 0 HG3 LYS A 78 -10.569 29.306 5.593 1.00 1.00 H new ATOM 0 HD2 LYS A 78 -12.602 29.493 7.077 1.00 1.00 H new ATOM 0 HD3 LYS A 78 -12.434 27.801 7.502 1.00 1.00 H new ATOM 0 HE2 LYS A 78 -10.130 28.260 8.399 1.00 1.00 H new ATOM 0 HE3 LYS A 78 -10.311 29.954 7.985 1.00 1.00 H new ATOM 0 HZ1 LYS A 78 -10.884 29.551 10.303 1.00 1.00 H new ATOM 0 HZ2 LYS A 78 -12.254 30.075 9.447 1.00 1.00 H new ATOM 0 HZ3 LYS A 78 -12.079 28.434 9.848 1.00 1.00 H new ATOM 1192 N ASP A 79 -13.288 25.930 2.658 1.00 1.00 N ATOM 1193 CA ASP A 79 -14.230 25.672 1.558 1.00 1.00 C ATOM 1194 C ASP A 79 -14.119 24.201 1.129 1.00 1.00 C ATOM 1195 O ASP A 79 -13.262 23.860 0.313 1.00 1.00 O ATOM 1196 CB ASP A 79 -13.919 26.613 0.357 1.00 1.00 C ATOM 1197 CG ASP A 79 -15.188 27.315 -0.140 1.00 1.00 C ATOM 1198 OD1 ASP A 79 -16.126 26.621 -0.493 1.00 1.00 O ATOM 1199 OD2 ASP A 79 -15.195 28.536 -0.169 1.00 1.00 O ATOM 0 H ASP A 79 -12.316 25.709 2.441 1.00 1.00 H new ATOM 0 HA ASP A 79 -15.247 25.870 1.896 1.00 1.00 H new ATOM 0 HB2 ASP A 79 -13.182 27.358 0.657 1.00 1.00 H new ATOM 0 HB3 ASP A 79 -13.477 26.036 -0.456 1.00 1.00 H new ATOM 1204 N PRO A 80 -14.950 23.326 1.648 1.00 1.00 N ATOM 1205 CA PRO A 80 -14.904 21.888 1.280 1.00 1.00 C ATOM 1206 C PRO A 80 -15.615 21.640 -0.050 1.00 1.00 C ATOM 1207 O PRO A 80 -15.720 20.504 -0.511 1.00 1.00 O ATOM 1208 CB PRO A 80 -15.618 21.198 2.450 1.00 1.00 C ATOM 1209 CG PRO A 80 -16.600 22.210 2.960 1.00 1.00 C ATOM 1210 CD PRO A 80 -16.019 23.596 2.634 1.00 1.00 C ATOM 0 HA PRO A 80 -13.891 21.513 1.133 1.00 1.00 H new ATOM 0 HB2 PRO A 80 -16.123 20.289 2.123 1.00 1.00 H new ATOM 0 HB3 PRO A 80 -14.911 20.908 3.227 1.00 1.00 H new ATOM 0 HG2 PRO A 80 -17.573 22.077 2.487 1.00 1.00 H new ATOM 0 HG3 PRO A 80 -16.750 22.096 4.034 1.00 1.00 H new ATOM 0 HD2 PRO A 80 -16.780 24.259 2.223 1.00 1.00 H new ATOM 0 HD3 PRO A 80 -15.623 24.080 3.526 1.00 1.00 H new ATOM 1218 N GLY A 81 -16.109 22.727 -0.654 1.00 1.00 N ATOM 1219 CA GLY A 81 -16.826 22.648 -1.931 1.00 1.00 C ATOM 1220 C GLY A 81 -16.011 23.238 -3.083 1.00 1.00 C ATOM 1221 O GLY A 81 -16.505 23.333 -4.206 1.00 1.00 O ATOM 0 H GLY A 81 -16.025 23.672 -0.279 1.00 1.00 H new ATOM 0 HA2 GLY A 81 -17.062 21.607 -2.150 1.00 1.00 H new ATOM 0 HA3 GLY A 81 -17.774 23.180 -1.848 1.00 1.00 H new ATOM 1225 N LYS A 82 -14.763 23.635 -2.811 1.00 1.00 N ATOM 1226 CA LYS A 82 -13.896 24.209 -3.852 1.00 1.00 C ATOM 1227 C LYS A 82 -12.539 23.529 -3.853 1.00 1.00 C ATOM 1228 O LYS A 82 -12.062 23.070 -2.820 1.00 1.00 O ATOM 1229 CB LYS A 82 -13.677 25.703 -3.622 1.00 1.00 C ATOM 1230 CG LYS A 82 -15.018 26.479 -3.715 1.00 1.00 C ATOM 1231 CD LYS A 82 -15.082 27.287 -5.022 1.00 1.00 C ATOM 1232 CE LYS A 82 -15.143 26.342 -6.226 1.00 1.00 C ATOM 1233 NZ LYS A 82 -16.216 25.332 -6.020 1.00 1.00 N ATOM 0 H LYS A 82 -14.332 23.571 -1.889 1.00 1.00 H new ATOM 0 HA LYS A 82 -14.396 24.053 -4.808 1.00 1.00 H new ATOM 0 HB2 LYS A 82 -13.227 25.862 -2.642 1.00 1.00 H new ATOM 0 HB3 LYS A 82 -12.976 26.090 -4.361 1.00 1.00 H new ATOM 0 HG2 LYS A 82 -15.853 25.780 -3.671 1.00 1.00 H new ATOM 0 HG3 LYS A 82 -15.118 27.149 -2.861 1.00 1.00 H new ATOM 0 HD2 LYS A 82 -15.958 27.935 -5.015 1.00 1.00 H new ATOM 0 HD3 LYS A 82 -14.208 27.933 -5.102 1.00 1.00 H new ATOM 0 HE2 LYS A 82 -15.335 26.910 -7.136 1.00 1.00 H new ATOM 0 HE3 LYS A 82 -14.183 25.844 -6.358 1.00 1.00 H new ATOM 0 HZ1 LYS A 82 -16.357 24.791 -6.897 1.00 1.00 H new ATOM 0 HZ2 LYS A 82 -15.941 24.684 -5.254 1.00 1.00 H new ATOM 0 HZ3 LYS A 82 -17.102 25.814 -5.764 1.00 1.00 H new ATOM 1247 N THR A 83 -11.942 23.456 -5.030 1.00 1.00 N ATOM 1248 CA THR A 83 -10.641 22.814 -5.201 1.00 1.00 C ATOM 1249 C THR A 83 -9.499 23.775 -4.886 1.00 1.00 C ATOM 1250 O THR A 83 -9.686 24.990 -4.834 1.00 1.00 O ATOM 1251 CB THR A 83 -10.501 22.318 -6.645 1.00 1.00 C ATOM 1252 OG1 THR A 83 -10.877 23.359 -7.537 1.00 1.00 O ATOM 1253 CG2 THR A 83 -11.413 21.109 -6.865 1.00 1.00 C ATOM 0 H THR A 83 -12.338 23.835 -5.890 1.00 1.00 H new ATOM 0 HA THR A 83 -10.584 21.976 -4.506 1.00 1.00 H new ATOM 0 HB THR A 83 -9.466 22.029 -6.830 1.00 1.00 H new ATOM 0 HG1 THR A 83 -10.787 23.046 -8.461 1.00 1.00 H new ATOM 0 HG21 THR A 83 -11.311 20.759 -7.892 1.00 1.00 H new ATOM 0 HG22 THR A 83 -11.130 20.310 -6.180 1.00 1.00 H new ATOM 0 HG23 THR A 83 -12.448 21.396 -6.680 1.00 1.00 H new ATOM 1261 N CYS A 84 -8.309 23.209 -4.690 1.00 1.00 N ATOM 1262 CA CYS A 84 -7.115 23.997 -4.388 1.00 1.00 C ATOM 1263 C CYS A 84 -6.183 24.021 -5.610 1.00 1.00 C ATOM 1264 O CYS A 84 -6.600 24.430 -6.694 1.00 1.00 O ATOM 1265 CB CYS A 84 -6.434 23.410 -3.135 1.00 1.00 C ATOM 1266 SG CYS A 84 -5.606 24.734 -2.214 1.00 1.00 S ATOM 0 H CYS A 84 -8.146 22.203 -4.735 1.00 1.00 H new ATOM 0 HA CYS A 84 -7.380 25.032 -4.171 1.00 1.00 H new ATOM 0 HB2 CYS A 84 -7.175 22.921 -2.502 1.00 1.00 H new ATOM 0 HB3 CYS A 84 -5.711 22.648 -3.425 1.00 1.00 H new ATOM 1271 N ASP A 85 -4.941 23.589 -5.446 1.00 1.00 N ATOM 1272 CA ASP A 85 -3.982 23.571 -6.553 1.00 1.00 C ATOM 1273 C ASP A 85 -2.977 22.455 -6.331 1.00 1.00 C ATOM 1274 O ASP A 85 -2.539 22.252 -5.210 1.00 1.00 O ATOM 1275 CB ASP A 85 -3.233 24.900 -6.594 1.00 1.00 C ATOM 1276 CG ASP A 85 -2.468 25.041 -7.905 1.00 1.00 C ATOM 1277 OD1 ASP A 85 -3.101 25.023 -8.947 1.00 1.00 O ATOM 1278 OD2 ASP A 85 -1.255 25.169 -7.846 1.00 1.00 O ATOM 0 H ASP A 85 -4.569 23.246 -4.560 1.00 1.00 H new ATOM 0 HA ASP A 85 -4.515 23.412 -7.490 1.00 1.00 H new ATOM 0 HB2 ASP A 85 -3.938 25.725 -6.487 1.00 1.00 H new ATOM 0 HB3 ASP A 85 -2.541 24.960 -5.754 1.00 1.00 H new ATOM 1283 N VAL A 86 -2.595 21.725 -7.376 1.00 1.00 N ATOM 1284 CA VAL A 86 -1.623 20.642 -7.222 1.00 1.00 C ATOM 1285 C VAL A 86 -0.510 20.817 -8.237 1.00 1.00 C ATOM 1286 O VAL A 86 -0.760 21.175 -9.388 1.00 1.00 O ATOM 1287 CB VAL A 86 -2.311 19.303 -7.448 1.00 1.00 C ATOM 1288 CG1 VAL A 86 -3.475 19.165 -6.468 1.00 1.00 C ATOM 1289 CG2 VAL A 86 -2.834 19.244 -8.882 1.00 1.00 C ATOM 0 H VAL A 86 -2.937 21.859 -8.327 1.00 1.00 H new ATOM 0 HA VAL A 86 -1.206 20.668 -6.215 1.00 1.00 H new ATOM 0 HB VAL A 86 -1.604 18.489 -7.287 1.00 1.00 H new ATOM 0 HG11 VAL A 86 -3.972 18.208 -6.625 1.00 1.00 H new ATOM 0 HG12 VAL A 86 -3.098 19.215 -5.446 1.00 1.00 H new ATOM 0 HG13 VAL A 86 -4.187 19.974 -6.632 1.00 1.00 H new ATOM 0 HG21 VAL A 86 -3.328 18.287 -9.050 1.00 1.00 H new ATOM 0 HG22 VAL A 86 -3.546 20.053 -9.043 1.00 1.00 H new ATOM 0 HG23 VAL A 86 -2.001 19.350 -9.578 1.00 1.00 H new ATOM 1299 N THR A 87 0.721 20.568 -7.814 1.00 1.00 N ATOM 1300 CA THR A 87 1.867 20.715 -8.707 1.00 1.00 C ATOM 1301 C THR A 87 2.269 19.380 -9.324 1.00 1.00 C ATOM 1302 O THR A 87 3.084 19.341 -10.245 1.00 1.00 O ATOM 1303 CB THR A 87 3.051 21.299 -7.939 1.00 1.00 C ATOM 1304 OG1 THR A 87 4.088 21.623 -8.853 1.00 1.00 O ATOM 1305 CG2 THR A 87 3.561 20.273 -6.926 1.00 1.00 C ATOM 0 H THR A 87 0.953 20.266 -6.868 1.00 1.00 H new ATOM 0 HA THR A 87 1.578 21.390 -9.513 1.00 1.00 H new ATOM 0 HB THR A 87 2.736 22.199 -7.411 1.00 1.00 H new ATOM 0 HG1 THR A 87 4.016 21.051 -9.645 1.00 1.00 H new ATOM 0 HG21 THR A 87 4.406 20.691 -6.379 1.00 1.00 H new ATOM 0 HG22 THR A 87 2.763 20.024 -6.227 1.00 1.00 H new ATOM 0 HG23 THR A 87 3.878 19.371 -7.450 1.00 1.00 H new ATOM 1313 N GLY A 88 1.692 18.285 -8.834 1.00 1.00 N ATOM 1314 CA GLY A 88 2.011 16.972 -9.382 1.00 1.00 C ATOM 1315 C GLY A 88 1.848 15.886 -8.345 1.00 1.00 C ATOM 1316 O GLY A 88 2.448 15.931 -7.270 1.00 1.00 O ATOM 0 H GLY A 88 1.013 18.280 -8.072 1.00 1.00 H new ATOM 0 HA2 GLY A 88 1.363 16.764 -10.233 1.00 1.00 H new ATOM 0 HA3 GLY A 88 3.036 16.971 -9.754 1.00 1.00 H new ATOM 1320 N TRP A 89 1.013 14.920 -8.673 1.00 1.00 N ATOM 1321 CA TRP A 89 0.743 13.823 -7.757 1.00 1.00 C ATOM 1322 C TRP A 89 1.885 12.814 -7.780 1.00 1.00 C ATOM 1323 O TRP A 89 2.843 12.940 -8.545 1.00 1.00 O ATOM 1324 CB TRP A 89 -0.613 13.137 -8.089 1.00 1.00 C ATOM 1325 CG TRP A 89 -1.240 13.777 -9.291 1.00 1.00 C ATOM 1326 CD1 TRP A 89 -1.997 14.899 -9.273 1.00 1.00 C ATOM 1327 CD2 TRP A 89 -1.173 13.350 -10.679 1.00 1.00 C ATOM 1328 NE1 TRP A 89 -2.393 15.190 -10.567 1.00 1.00 N ATOM 1329 CE2 TRP A 89 -1.912 14.263 -11.470 1.00 1.00 C ATOM 1330 CE3 TRP A 89 -0.550 12.267 -11.322 1.00 1.00 C ATOM 1331 CZ2 TRP A 89 -2.022 14.106 -12.852 1.00 1.00 C ATOM 1332 CZ3 TRP A 89 -0.660 12.106 -12.712 1.00 1.00 C ATOM 1333 CH2 TRP A 89 -1.395 13.025 -13.476 1.00 1.00 C ATOM 0 H TRP A 89 0.512 14.869 -9.560 1.00 1.00 H new ATOM 0 HA TRP A 89 0.669 14.232 -6.750 1.00 1.00 H new ATOM 0 HB2 TRP A 89 -0.455 12.075 -8.275 1.00 1.00 H new ATOM 0 HB3 TRP A 89 -1.286 13.214 -7.235 1.00 1.00 H new ATOM 0 HD1 TRP A 89 -2.250 15.473 -8.394 1.00 1.00 H new ATOM 0 HE1 TRP A 89 -2.970 15.992 -10.822 1.00 1.00 H new ATOM 0 HE3 TRP A 89 0.017 11.554 -10.743 1.00 1.00 H new ATOM 0 HZ2 TRP A 89 -2.589 14.816 -13.436 1.00 1.00 H new ATOM 0 HZ3 TRP A 89 -0.176 11.270 -13.196 1.00 1.00 H new ATOM 0 HH2 TRP A 89 -1.476 12.897 -14.545 1.00 1.00 H new ATOM 1344 N VAL A 90 1.758 11.819 -6.917 1.00 1.00 N ATOM 1345 CA VAL A 90 2.768 10.766 -6.803 1.00 1.00 C ATOM 1346 C VAL A 90 2.110 9.416 -6.526 1.00 1.00 C ATOM 1347 O VAL A 90 1.118 9.328 -5.803 1.00 1.00 O ATOM 1348 CB VAL A 90 3.767 11.122 -5.696 1.00 1.00 C ATOM 1349 CG1 VAL A 90 4.697 9.935 -5.434 1.00 1.00 C ATOM 1350 CG2 VAL A 90 4.599 12.327 -6.142 1.00 1.00 C ATOM 0 H VAL A 90 0.967 11.714 -6.282 1.00 1.00 H new ATOM 0 HA VAL A 90 3.305 10.688 -7.748 1.00 1.00 H new ATOM 0 HB VAL A 90 3.225 11.362 -4.781 1.00 1.00 H new ATOM 0 HG11 VAL A 90 5.405 10.194 -4.646 1.00 1.00 H new ATOM 0 HG12 VAL A 90 4.107 9.073 -5.123 1.00 1.00 H new ATOM 0 HG13 VAL A 90 5.242 9.692 -6.346 1.00 1.00 H new ATOM 0 HG21 VAL A 90 5.312 12.586 -5.360 1.00 1.00 H new ATOM 0 HG22 VAL A 90 5.138 12.079 -7.056 1.00 1.00 H new ATOM 0 HG23 VAL A 90 3.940 13.175 -6.328 1.00 1.00 H new ATOM 1360 N LEU A 91 2.688 8.364 -7.104 1.00 1.00 N ATOM 1361 CA LEU A 91 2.177 7.003 -6.922 1.00 1.00 C ATOM 1362 C LEU A 91 3.344 6.019 -6.862 1.00 1.00 C ATOM 1363 O LEU A 91 3.626 5.530 -5.781 1.00 1.00 O ATOM 1364 CB LEU A 91 1.235 6.626 -8.084 1.00 1.00 C ATOM 1365 CG LEU A 91 0.225 5.561 -7.624 1.00 1.00 C ATOM 1366 CD1 LEU A 91 -0.608 5.098 -8.820 1.00 1.00 C ATOM 1367 CD2 LEU A 91 0.968 4.360 -7.028 1.00 1.00 C ATOM 1368 OXT LEU A 91 3.937 5.771 -7.899 1.00 1.00 O ATOM 0 H LEU A 91 3.511 8.427 -7.703 1.00 1.00 H new ATOM 0 HA LEU A 91 1.617 6.958 -5.988 1.00 1.00 H new ATOM 0 HB2 LEU A 91 0.706 7.512 -8.435 1.00 1.00 H new ATOM 0 HB3 LEU A 91 1.816 6.248 -8.925 1.00 1.00 H new ATOM 0 HG LEU A 91 -0.428 5.992 -6.866 1.00 1.00 H new ATOM 0 HD11 LEU A 91 -1.324 4.343 -8.494 1.00 1.00 H new ATOM 0 HD12 LEU A 91 -1.144 5.949 -9.241 1.00 1.00 H new ATOM 0 HD13 LEU A 91 0.049 4.672 -9.578 1.00 1.00 H new ATOM 0 HD21 LEU A 91 0.246 3.610 -6.704 1.00 1.00 H new ATOM 0 HD22 LEU A 91 1.626 3.929 -7.782 1.00 1.00 H new ATOM 0 HD23 LEU A 91 1.560 4.686 -6.173 1.00 1.00 H new TER 1380 LEU A 91