USER MOD reduce.3.24.130724 H: found=0, std=0, add=724, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 725 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 25 GLN : amide:sc= 0.518 K(o=-1.6,f=-7.9!) USER MOD Set 1.2: A 37 MET CE :methyl 147:sc= -3.32 (180deg=-8.52!) USER MOD Set 1.3: A 85 TYR OH : rot 83:sc= 1.18 USER MOD Single : A 5 LYS NZ :NH3+ -152:sc=-0.00155 (180deg=-0.608) USER MOD Single : A 7 ASN : amide:sc= -4.22! C(o=-4.2!,f=-4.4!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot -26:sc= 0.223 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.266 K(o=-0.27,f=-2.3!) USER MOD Single : A 24 GLN : amide:sc= -1.02 K(o=-1,f=-1.9!) USER MOD Single : A 28 ASN : amide:sc= -4.36! C(o=-4.4!,f=-12!) USER MOD Single : A 33 SER OG : rot 180:sc= 0.0712 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 159:sc= -1.41 (180deg=-1.84) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0.004) USER MOD Single : A 48 TYR OH : rot 38:sc= -0.695 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 130:sc= -1.16 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 GLN : amide:sc= -0.146 X(o=-0.15,f=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 GLN :FLIP amide:sc= 0.866 F(o=0,f=0.87) USER MOD Single : A 75 ASN :FLIP amide:sc= -0.0876 F(o=-0.78,f=-0.088) USER MOD Single : A 76 THR OG1 : rot -80:sc= 1.09 USER MOD Single : A 79 ASN : amide:sc= -0.462 X(o=-0.46,f=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 30 N LEU A 3 -10.655 -12.306 -9.916 1.00 0.00 N ATOM 31 CA LEU A 3 -10.337 -12.110 -8.506 1.00 0.00 C ATOM 32 C LEU A 3 -11.127 -13.079 -7.631 1.00 0.00 C ATOM 33 O LEU A 3 -12.343 -12.950 -7.488 1.00 0.00 O ATOM 34 CB LEU A 3 -10.636 -10.668 -8.090 1.00 0.00 C ATOM 35 CG LEU A 3 -9.493 -9.679 -8.321 1.00 0.00 C ATOM 36 CD1 LEU A 3 -10.041 -8.294 -8.629 1.00 0.00 C ATOM 37 CD2 LEU A 3 -8.574 -9.634 -7.110 1.00 0.00 C ATOM 0 HA LEU A 3 -9.274 -12.307 -8.367 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -11.512 -10.322 -8.638 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -10.897 -10.658 -7.032 1.00 0.00 H new ATOM 0 HG LEU A 3 -8.913 -10.017 -9.179 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -9.214 -7.603 -8.791 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -10.658 -8.338 -9.527 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -10.645 -7.947 -7.791 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -7.766 -8.925 -7.292 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -9.142 -9.320 -6.234 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -8.154 -10.625 -6.935 1.00 0.00 H new ATOM 49 N LEU A 4 -10.427 -14.046 -7.047 1.00 0.00 N ATOM 50 CA LEU A 4 -11.064 -15.035 -6.185 1.00 0.00 C ATOM 51 C LEU A 4 -11.592 -14.387 -4.910 1.00 0.00 C ATOM 52 O LEU A 4 -11.185 -13.282 -4.548 1.00 0.00 O ATOM 53 CB LEU A 4 -10.074 -16.147 -5.833 1.00 0.00 C ATOM 54 CG LEU A 4 -10.687 -17.542 -5.701 1.00 0.00 C ATOM 55 CD1 LEU A 4 -10.718 -18.240 -7.053 1.00 0.00 C ATOM 56 CD2 LEU A 4 -9.912 -18.371 -4.689 1.00 0.00 C ATOM 0 H LEU A 4 -9.420 -14.166 -7.155 1.00 0.00 H new ATOM 0 HA LEU A 4 -11.906 -15.465 -6.728 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -9.299 -16.178 -6.599 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.584 -15.892 -4.894 1.00 0.00 H new ATOM 0 HG LEU A 4 -11.712 -17.436 -5.345 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -11.157 -19.231 -6.941 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -11.317 -17.655 -7.751 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -9.702 -18.335 -7.437 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -10.362 -19.360 -4.608 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -8.877 -18.469 -5.016 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -9.941 -17.879 -3.717 1.00 0.00 H new ATOM 68 N LYS A 5 -12.503 -15.080 -4.234 1.00 0.00 N ATOM 69 CA LYS A 5 -13.088 -14.570 -2.999 1.00 0.00 C ATOM 70 C LYS A 5 -12.016 -14.365 -1.933 1.00 0.00 C ATOM 71 O LYS A 5 -11.939 -13.304 -1.313 1.00 0.00 O ATOM 72 CB LYS A 5 -14.158 -15.534 -2.482 1.00 0.00 C ATOM 73 CG LYS A 5 -15.291 -14.844 -1.739 1.00 0.00 C ATOM 74 CD LYS A 5 -16.481 -14.593 -2.650 1.00 0.00 C ATOM 75 CE LYS A 5 -16.395 -13.229 -3.317 1.00 0.00 C ATOM 76 NZ LYS A 5 -15.804 -13.315 -4.680 1.00 0.00 N ATOM 0 H LYS A 5 -12.852 -15.995 -4.520 1.00 0.00 H new ATOM 0 HA LYS A 5 -13.549 -13.606 -3.215 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -14.572 -16.090 -3.324 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -13.690 -16.262 -1.819 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -15.601 -15.459 -0.894 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -14.937 -13.897 -1.331 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -16.527 -15.370 -3.413 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -17.403 -14.659 -2.072 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -17.392 -12.792 -3.380 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -15.793 -12.561 -2.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -15.331 -12.418 -4.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -15.110 -14.089 -4.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -16.557 -13.498 -5.374 1.00 0.00 H new ATOM 90 N ALA A 6 -11.190 -15.385 -1.727 1.00 0.00 N ATOM 91 CA ALA A 6 -10.122 -15.316 -0.736 1.00 0.00 C ATOM 92 C ALA A 6 -9.003 -14.391 -1.201 1.00 0.00 C ATOM 93 O ALA A 6 -8.485 -13.589 -0.424 1.00 0.00 O ATOM 94 CB ALA A 6 -9.576 -16.707 -0.452 1.00 0.00 C ATOM 0 H ALA A 6 -11.239 -16.269 -2.233 1.00 0.00 H new ATOM 0 HA ALA A 6 -10.538 -14.906 0.184 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -8.780 -16.641 0.289 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -10.376 -17.341 -0.070 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.181 -17.137 -1.372 1.00 0.00 H new ATOM 100 N ASN A 7 -8.634 -14.509 -2.472 1.00 0.00 N ATOM 101 CA ASN A 7 -7.575 -13.683 -3.041 1.00 0.00 C ATOM 102 C ASN A 7 -7.938 -12.204 -2.964 1.00 0.00 C ATOM 103 O ASN A 7 -7.134 -11.379 -2.530 1.00 0.00 O ATOM 104 CB ASN A 7 -7.314 -14.081 -4.495 1.00 0.00 C ATOM 105 CG ASN A 7 -6.269 -15.173 -4.617 1.00 0.00 C ATOM 106 OD1 ASN A 7 -5.383 -15.107 -5.468 1.00 0.00 O ATOM 107 ND2 ASN A 7 -6.369 -16.185 -3.764 1.00 0.00 N ATOM 0 H ASN A 7 -9.053 -15.169 -3.128 1.00 0.00 H new ATOM 0 HA ASN A 7 -6.668 -13.847 -2.459 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -8.245 -14.421 -4.949 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -6.987 -13.205 -5.056 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -5.694 -16.949 -3.798 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -7.120 -16.198 -3.074 1.00 0.00 H new ATOM 114 N LYS A 8 -9.154 -11.875 -3.386 1.00 0.00 N ATOM 115 CA LYS A 8 -9.624 -10.495 -3.365 1.00 0.00 C ATOM 116 C LYS A 8 -9.857 -10.022 -1.934 1.00 0.00 C ATOM 117 O LYS A 8 -9.688 -8.843 -1.623 1.00 0.00 O ATOM 118 CB LYS A 8 -10.914 -10.360 -4.175 1.00 0.00 C ATOM 119 CG LYS A 8 -11.217 -8.934 -4.604 1.00 0.00 C ATOM 120 CD LYS A 8 -12.551 -8.841 -5.327 1.00 0.00 C ATOM 121 CE LYS A 8 -12.791 -7.444 -5.876 1.00 0.00 C ATOM 122 NZ LYS A 8 -14.243 -7.137 -6.001 1.00 0.00 N ATOM 0 H LYS A 8 -9.832 -12.546 -3.747 1.00 0.00 H new ATOM 0 HA LYS A 8 -8.854 -9.869 -3.815 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -10.844 -10.990 -5.062 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -11.747 -10.737 -3.581 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -11.230 -8.285 -3.729 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -10.422 -8.573 -5.257 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -12.575 -9.563 -6.143 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -13.356 -9.107 -4.643 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -12.320 -6.711 -5.221 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -12.315 -7.351 -6.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -14.363 -6.176 -6.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -14.688 -7.821 -6.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -14.693 -7.200 -5.066 1.00 0.00 H new ATOM 136 N ASP A 9 -10.247 -10.950 -1.065 1.00 0.00 N ATOM 137 CA ASP A 9 -10.504 -10.628 0.333 1.00 0.00 C ATOM 138 C ASP A 9 -9.213 -10.247 1.050 1.00 0.00 C ATOM 139 O ASP A 9 -9.219 -9.426 1.968 1.00 0.00 O ATOM 140 CB ASP A 9 -11.160 -11.816 1.039 1.00 0.00 C ATOM 141 CG ASP A 9 -12.674 -11.763 0.974 1.00 0.00 C ATOM 142 OD1 ASP A 9 -13.230 -10.646 0.996 1.00 0.00 O ATOM 143 OD2 ASP A 9 -13.303 -12.840 0.900 1.00 0.00 O ATOM 0 H ASP A 9 -10.392 -11.931 -1.305 1.00 0.00 H new ATOM 0 HA ASP A 9 -11.182 -9.775 0.364 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -10.812 -12.743 0.584 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -10.844 -11.835 2.082 1.00 0.00 H new ATOM 148 N LEU A 10 -8.106 -10.847 0.625 1.00 0.00 N ATOM 149 CA LEU A 10 -6.808 -10.571 1.224 1.00 0.00 C ATOM 150 C LEU A 10 -6.342 -9.157 0.885 1.00 0.00 C ATOM 151 O LEU A 10 -5.884 -8.419 1.757 1.00 0.00 O ATOM 152 CB LEU A 10 -5.779 -11.596 0.739 1.00 0.00 C ATOM 153 CG LEU A 10 -5.299 -12.582 1.804 1.00 0.00 C ATOM 154 CD1 LEU A 10 -4.235 -13.507 1.233 1.00 0.00 C ATOM 155 CD2 LEU A 10 -4.765 -11.836 3.018 1.00 0.00 C ATOM 0 H LEU A 10 -8.083 -11.529 -0.134 1.00 0.00 H new ATOM 0 HA LEU A 10 -6.906 -10.647 2.307 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.211 -12.159 -0.088 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.915 -11.062 0.344 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.147 -13.189 2.120 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.905 -14.202 2.005 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.651 -14.066 0.395 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.386 -12.916 0.889 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.428 -12.553 3.766 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.929 -11.204 2.718 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.555 -11.216 3.440 1.00 0.00 H new ATOM 167 N ILE A 11 -6.464 -8.790 -0.386 1.00 0.00 N ATOM 168 CA ILE A 11 -6.056 -7.466 -0.840 1.00 0.00 C ATOM 169 C ILE A 11 -7.005 -6.392 -0.321 1.00 0.00 C ATOM 170 O ILE A 11 -6.587 -5.274 -0.017 1.00 0.00 O ATOM 171 CB ILE A 11 -6.003 -7.389 -2.378 1.00 0.00 C ATOM 172 CG1 ILE A 11 -5.195 -8.561 -2.942 1.00 0.00 C ATOM 173 CG2 ILE A 11 -5.403 -6.063 -2.822 1.00 0.00 C ATOM 174 CD1 ILE A 11 -5.103 -8.559 -4.453 1.00 0.00 C ATOM 0 H ILE A 11 -6.842 -9.390 -1.119 1.00 0.00 H new ATOM 0 HA ILE A 11 -5.057 -7.289 -0.441 1.00 0.00 H new ATOM 0 HB ILE A 11 -7.020 -7.453 -2.765 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.189 -8.532 -2.525 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.649 -9.496 -2.615 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -5.372 -6.024 -3.911 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.015 -5.243 -2.447 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -4.391 -5.971 -2.427 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.517 -9.417 -4.783 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.105 -8.619 -4.879 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -4.621 -7.640 -4.787 1.00 0.00 H new ATOM 186 N SER A 12 -8.285 -6.737 -0.224 1.00 0.00 N ATOM 187 CA SER A 12 -9.295 -5.800 0.258 1.00 0.00 C ATOM 188 C SER A 12 -8.948 -5.297 1.656 1.00 0.00 C ATOM 189 O SER A 12 -9.081 -4.108 1.948 1.00 0.00 O ATOM 190 CB SER A 12 -10.673 -6.464 0.270 1.00 0.00 C ATOM 191 OG SER A 12 -10.689 -7.589 1.133 1.00 0.00 O ATOM 0 H SER A 12 -8.648 -7.657 -0.472 1.00 0.00 H new ATOM 0 HA SER A 12 -9.316 -4.947 -0.421 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.425 -5.744 0.592 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.940 -6.773 -0.741 1.00 0.00 H new ATOM 0 HG SER A 12 -9.783 -7.955 1.211 1.00 0.00 H new ATOM 197 N ALA A 13 -8.501 -6.208 2.514 1.00 0.00 N ATOM 198 CA ALA A 13 -8.132 -5.853 3.879 1.00 0.00 C ATOM 199 C ALA A 13 -7.007 -4.825 3.888 1.00 0.00 C ATOM 200 O ALA A 13 -7.069 -3.827 4.606 1.00 0.00 O ATOM 201 CB ALA A 13 -7.723 -7.095 4.655 1.00 0.00 C ATOM 0 H ALA A 13 -8.386 -7.196 2.289 1.00 0.00 H new ATOM 0 HA ALA A 13 -9.001 -5.408 4.363 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -7.450 -6.815 5.672 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -8.556 -7.797 4.683 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -6.869 -7.564 4.167 1.00 0.00 H new ATOM 207 N GLY A 14 -5.979 -5.077 3.084 1.00 0.00 N ATOM 208 CA GLY A 14 -4.854 -4.164 3.011 1.00 0.00 C ATOM 209 C GLY A 14 -5.223 -2.840 2.372 1.00 0.00 C ATOM 210 O GLY A 14 -4.696 -1.793 2.747 1.00 0.00 O ATOM 0 H GLY A 14 -5.905 -5.897 2.482 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.470 -3.985 4.015 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -4.050 -4.628 2.440 1.00 0.00 H new ATOM 214 N LEU A 15 -6.131 -2.886 1.402 1.00 0.00 N ATOM 215 CA LEU A 15 -6.572 -1.682 0.707 1.00 0.00 C ATOM 216 C LEU A 15 -7.144 -0.663 1.689 1.00 0.00 C ATOM 217 O LEU A 15 -6.821 0.523 1.626 1.00 0.00 O ATOM 218 CB LEU A 15 -7.618 -2.036 -0.354 1.00 0.00 C ATOM 219 CG LEU A 15 -7.289 -1.562 -1.770 1.00 0.00 C ATOM 220 CD1 LEU A 15 -8.391 -1.964 -2.737 1.00 0.00 C ATOM 221 CD2 LEU A 15 -7.081 -0.055 -1.792 1.00 0.00 C ATOM 0 H LEU A 15 -6.576 -3.745 1.079 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.706 -1.236 0.218 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.745 -3.118 -0.370 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.575 -1.607 -0.057 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.363 -2.042 -2.088 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -8.139 -1.618 -3.740 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.492 -3.049 -2.742 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -9.333 -1.513 -2.423 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -6.848 0.265 -2.807 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -7.990 0.443 -1.454 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -6.256 0.208 -1.130 1.00 0.00 H new ATOM 233 N LYS A 16 -7.994 -1.135 2.595 1.00 0.00 N ATOM 234 CA LYS A 16 -8.611 -0.265 3.589 1.00 0.00 C ATOM 235 C LYS A 16 -7.579 0.217 4.605 1.00 0.00 C ATOM 236 O LYS A 16 -7.679 1.327 5.127 1.00 0.00 O ATOM 237 CB LYS A 16 -9.745 -0.999 4.307 1.00 0.00 C ATOM 238 CG LYS A 16 -9.298 -2.271 5.008 1.00 0.00 C ATOM 239 CD LYS A 16 -10.268 -2.671 6.108 1.00 0.00 C ATOM 240 CE LYS A 16 -9.870 -2.066 7.446 1.00 0.00 C ATOM 241 NZ LYS A 16 -10.626 -2.674 8.576 1.00 0.00 N ATOM 0 H LYS A 16 -8.271 -2.114 2.661 1.00 0.00 H new ATOM 0 HA LYS A 16 -9.020 0.603 3.072 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -10.194 -0.329 5.040 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -10.522 -1.246 3.584 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -9.217 -3.079 4.281 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.305 -2.124 5.433 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -11.274 -2.345 5.844 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -10.297 -3.757 6.192 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -8.801 -2.209 7.606 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -10.049 -0.991 7.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -10.326 -2.235 9.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -11.645 -2.516 8.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -10.436 -3.696 8.611 1.00 0.00 H new ATOM 255 N GLU A 17 -6.588 -0.625 4.879 1.00 0.00 N ATOM 256 CA GLU A 17 -5.537 -0.286 5.832 1.00 0.00 C ATOM 257 C GLU A 17 -4.777 0.958 5.383 1.00 0.00 C ATOM 258 O GLU A 17 -4.413 1.803 6.199 1.00 0.00 O ATOM 259 CB GLU A 17 -4.570 -1.459 5.995 1.00 0.00 C ATOM 260 CG GLU A 17 -4.042 -1.620 7.412 1.00 0.00 C ATOM 261 CD GLU A 17 -3.951 -3.072 7.838 1.00 0.00 C ATOM 262 OE1 GLU A 17 -4.980 -3.628 8.274 1.00 0.00 O ATOM 263 OE2 GLU A 17 -2.849 -3.652 7.736 1.00 0.00 O ATOM 0 H GLU A 17 -6.491 -1.547 4.455 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.006 -0.076 6.793 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.074 -2.379 5.697 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.728 -1.322 5.316 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -3.055 -1.162 7.483 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.693 -1.083 8.102 1.00 0.00 H new ATOM 270 N PHE A 18 -4.541 1.062 4.079 1.00 0.00 N ATOM 271 CA PHE A 18 -3.823 2.201 3.521 1.00 0.00 C ATOM 272 C PHE A 18 -4.693 3.454 3.536 1.00 0.00 C ATOM 273 O PHE A 18 -4.201 4.563 3.746 1.00 0.00 O ATOM 274 CB PHE A 18 -3.371 1.897 2.092 1.00 0.00 C ATOM 275 CG PHE A 18 -2.009 2.437 1.764 1.00 0.00 C ATOM 276 CD1 PHE A 18 -1.854 3.740 1.319 1.00 0.00 C ATOM 277 CD2 PHE A 18 -0.882 1.642 1.901 1.00 0.00 C ATOM 278 CE1 PHE A 18 -0.601 4.240 1.017 1.00 0.00 C ATOM 279 CE2 PHE A 18 0.372 2.135 1.601 1.00 0.00 C ATOM 280 CZ PHE A 18 0.513 3.437 1.158 1.00 0.00 C ATOM 0 H PHE A 18 -4.837 0.371 3.389 1.00 0.00 H new ATOM 0 HA PHE A 18 -2.945 2.383 4.141 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -3.370 0.817 1.942 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -4.096 2.315 1.394 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -2.722 4.372 1.207 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.986 0.624 2.247 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -0.494 5.258 0.671 1.00 0.00 H new ATOM 0 HE2 PHE A 18 1.242 1.504 1.712 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.493 3.825 0.923 1.00 0.00 H new ATOM 290 N SER A 19 -5.990 3.270 3.312 1.00 0.00 N ATOM 291 CA SER A 19 -6.930 4.385 3.299 1.00 0.00 C ATOM 292 C SER A 19 -6.992 5.061 4.664 1.00 0.00 C ATOM 293 O SER A 19 -6.860 6.281 4.771 1.00 0.00 O ATOM 294 CB SER A 19 -8.323 3.901 2.894 1.00 0.00 C ATOM 295 OG SER A 19 -9.139 4.981 2.478 1.00 0.00 O ATOM 0 H SER A 19 -6.414 2.359 3.137 1.00 0.00 H new ATOM 0 HA SER A 19 -6.579 5.114 2.568 1.00 0.00 H new ATOM 0 HB2 SER A 19 -8.238 3.174 2.086 1.00 0.00 H new ATOM 0 HB3 SER A 19 -8.792 3.390 3.735 1.00 0.00 H new ATOM 0 HG SER A 19 -10.023 4.644 2.223 1.00 0.00 H new ATOM 301 N VAL A 20 -7.193 4.263 5.707 1.00 0.00 N ATOM 302 CA VAL A 20 -7.272 4.786 7.065 1.00 0.00 C ATOM 303 C VAL A 20 -5.930 5.354 7.512 1.00 0.00 C ATOM 304 O VAL A 20 -5.862 6.447 8.076 1.00 0.00 O ATOM 305 CB VAL A 20 -7.724 3.695 8.061 1.00 0.00 C ATOM 306 CG1 VAL A 20 -6.633 2.652 8.269 1.00 0.00 C ATOM 307 CG2 VAL A 20 -8.135 4.318 9.385 1.00 0.00 C ATOM 0 H VAL A 20 -7.304 3.251 5.637 1.00 0.00 H new ATOM 0 HA VAL A 20 -8.013 5.585 7.058 1.00 0.00 H new ATOM 0 HB VAL A 20 -8.590 3.189 7.635 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -6.981 1.898 8.975 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.398 2.177 7.317 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -5.739 3.134 8.664 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -8.450 3.534 10.074 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.289 4.857 9.812 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -8.961 5.010 9.221 1.00 0.00 H new ATOM 317 N LEU A 21 -4.868 4.602 7.255 1.00 0.00 N ATOM 318 CA LEU A 21 -3.522 5.022 7.627 1.00 0.00 C ATOM 319 C LEU A 21 -3.173 6.365 6.991 1.00 0.00 C ATOM 320 O LEU A 21 -2.487 7.188 7.596 1.00 0.00 O ATOM 321 CB LEU A 21 -2.501 3.964 7.204 1.00 0.00 C ATOM 322 CG LEU A 21 -1.138 4.066 7.892 1.00 0.00 C ATOM 323 CD1 LEU A 21 -1.246 3.655 9.352 1.00 0.00 C ATOM 324 CD2 LEU A 21 -0.111 3.209 7.169 1.00 0.00 C ATOM 0 H LEU A 21 -4.912 3.696 6.789 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.491 5.136 8.711 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.919 2.977 7.404 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.353 4.035 6.126 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.808 5.104 7.852 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.267 3.734 9.825 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.950 4.311 9.864 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.598 2.625 9.415 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.852 3.294 7.672 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.435 2.168 7.178 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.013 3.550 6.138 1.00 0.00 H new ATOM 336 N LEU A 22 -3.650 6.578 5.770 1.00 0.00 N ATOM 337 CA LEU A 22 -3.389 7.821 5.053 1.00 0.00 C ATOM 338 C LEU A 22 -4.059 9.001 5.749 1.00 0.00 C ATOM 339 O LEU A 22 -3.526 10.111 5.761 1.00 0.00 O ATOM 340 CB LEU A 22 -3.884 7.715 3.610 1.00 0.00 C ATOM 341 CG LEU A 22 -2.901 7.070 2.632 1.00 0.00 C ATOM 342 CD1 LEU A 22 -3.478 7.059 1.225 1.00 0.00 C ATOM 343 CD2 LEU A 22 -1.568 7.803 2.659 1.00 0.00 C ATOM 0 H LEU A 22 -4.220 5.906 5.256 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.312 7.990 5.048 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.810 7.141 3.601 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.126 8.715 3.251 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.733 6.038 2.940 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.765 6.596 0.543 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.408 6.491 1.218 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.675 8.082 0.905 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.879 7.332 1.958 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.720 8.844 2.375 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.149 7.759 3.664 1.00 0.00 H new ATOM 355 N ASN A 23 -5.230 8.754 6.328 1.00 0.00 N ATOM 356 CA ASN A 23 -5.973 9.797 7.026 1.00 0.00 C ATOM 357 C ASN A 23 -5.236 10.242 8.285 1.00 0.00 C ATOM 358 O ASN A 23 -5.359 11.390 8.714 1.00 0.00 O ATOM 359 CB ASN A 23 -7.373 9.297 7.390 1.00 0.00 C ATOM 360 CG ASN A 23 -8.424 10.382 7.261 1.00 0.00 C ATOM 361 OD1 ASN A 23 -8.241 11.358 6.533 1.00 0.00 O ATOM 362 ND2 ASN A 23 -9.535 10.217 7.969 1.00 0.00 N ATOM 0 H ASN A 23 -5.685 7.841 6.328 1.00 0.00 H new ATOM 0 HA ASN A 23 -6.062 10.654 6.358 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -7.637 8.460 6.743 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -7.367 8.920 8.413 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -10.278 10.914 7.922 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -9.646 9.393 8.560 1.00 0.00 H new ATOM 369 N GLN A 24 -4.471 9.328 8.873 1.00 0.00 N ATOM 370 CA GLN A 24 -3.715 9.629 10.083 1.00 0.00 C ATOM 371 C GLN A 24 -2.693 10.735 9.831 1.00 0.00 C ATOM 372 O GLN A 24 -2.290 11.443 10.754 1.00 0.00 O ATOM 373 CB GLN A 24 -3.008 8.373 10.594 1.00 0.00 C ATOM 374 CG GLN A 24 -3.840 7.562 11.573 1.00 0.00 C ATOM 375 CD GLN A 24 -3.621 6.068 11.429 1.00 0.00 C ATOM 376 OE1 GLN A 24 -4.389 5.378 10.759 1.00 0.00 O ATOM 377 NE2 GLN A 24 -2.567 5.562 12.058 1.00 0.00 N ATOM 0 H GLN A 24 -4.358 8.374 8.531 1.00 0.00 H new ATOM 0 HA GLN A 24 -4.418 9.977 10.840 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -2.746 7.743 9.744 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -2.074 8.663 11.076 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -3.594 7.865 12.591 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -4.896 7.787 11.420 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -1.957 6.172 12.603 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -2.367 4.564 11.997 1.00 0.00 H new ATOM 386 N GLN A 25 -2.275 10.878 8.576 1.00 0.00 N ATOM 387 CA GLN A 25 -1.299 11.898 8.205 1.00 0.00 C ATOM 388 C GLN A 25 -1.778 13.287 8.618 1.00 0.00 C ATOM 389 O GLN A 25 -2.981 13.544 8.691 1.00 0.00 O ATOM 390 CB GLN A 25 -1.041 11.862 6.697 1.00 0.00 C ATOM 391 CG GLN A 25 -0.282 10.629 6.240 1.00 0.00 C ATOM 392 CD GLN A 25 1.211 10.742 6.475 1.00 0.00 C ATOM 393 OE1 GLN A 25 1.860 11.667 5.986 1.00 0.00 O ATOM 394 NE2 GLN A 25 1.765 9.799 7.229 1.00 0.00 N ATOM 0 H GLN A 25 -2.597 10.301 7.799 1.00 0.00 H new ATOM 0 HA GLN A 25 -0.369 11.683 8.731 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -1.995 11.906 6.172 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -0.479 12.751 6.412 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -0.664 9.755 6.768 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -0.467 10.466 5.178 1.00 0.00 H new ATOM 0 HE21 GLN A 25 1.189 9.050 7.614 1.00 0.00 H new ATOM 0 HE22 GLN A 25 2.766 9.824 7.423 1.00 0.00 H new ATOM 403 N VAL A 26 -0.831 14.179 8.885 1.00 0.00 N ATOM 404 CA VAL A 26 -1.155 15.542 9.291 1.00 0.00 C ATOM 405 C VAL A 26 -0.804 16.540 8.194 1.00 0.00 C ATOM 406 O VAL A 26 -1.555 17.481 7.935 1.00 0.00 O ATOM 407 CB VAL A 26 -0.415 15.935 10.583 1.00 0.00 C ATOM 408 CG1 VAL A 26 -0.916 17.275 11.099 1.00 0.00 C ATOM 409 CG2 VAL A 26 -0.578 14.854 11.641 1.00 0.00 C ATOM 0 H VAL A 26 0.168 13.983 8.828 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.229 15.570 9.474 1.00 0.00 H new ATOM 0 HB VAL A 26 0.647 16.033 10.356 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -0.382 17.536 12.012 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -0.743 18.043 10.345 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.983 17.208 11.310 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -0.049 15.149 12.547 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.636 14.722 11.866 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.166 13.916 11.269 1.00 0.00 H new ATOM 419 N PHE A 27 0.345 16.330 7.553 1.00 0.00 N ATOM 420 CA PHE A 27 0.810 17.208 6.478 1.00 0.00 C ATOM 421 C PHE A 27 0.608 18.679 6.833 1.00 0.00 C ATOM 422 O PHE A 27 -0.432 19.264 6.532 1.00 0.00 O ATOM 423 CB PHE A 27 0.090 16.881 5.166 1.00 0.00 C ATOM 424 CG PHE A 27 -1.397 16.719 5.309 1.00 0.00 C ATOM 425 CD1 PHE A 27 -1.943 15.490 5.640 1.00 0.00 C ATOM 426 CD2 PHE A 27 -2.248 17.796 5.112 1.00 0.00 C ATOM 427 CE1 PHE A 27 -3.311 15.337 5.772 1.00 0.00 C ATOM 428 CE2 PHE A 27 -3.615 17.648 5.243 1.00 0.00 C ATOM 429 CZ PHE A 27 -4.148 16.417 5.573 1.00 0.00 C ATOM 0 H PHE A 27 0.975 15.555 7.761 1.00 0.00 H new ATOM 0 HA PHE A 27 1.878 17.034 6.350 1.00 0.00 H new ATOM 0 HB2 PHE A 27 0.291 17.674 4.446 1.00 0.00 H new ATOM 0 HB3 PHE A 27 0.507 15.962 4.754 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -1.293 14.642 5.797 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -1.837 18.761 4.853 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -3.724 14.373 6.031 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -4.267 18.495 5.087 1.00 0.00 H new ATOM 0 HZ PHE A 27 -5.217 16.300 5.675 1.00 0.00 H new ATOM 439 N ASN A 28 1.610 19.270 7.476 1.00 0.00 N ATOM 440 CA ASN A 28 1.543 20.672 7.872 1.00 0.00 C ATOM 441 C ASN A 28 2.853 21.128 8.508 1.00 0.00 C ATOM 442 O ASN A 28 3.300 22.254 8.292 1.00 0.00 O ATOM 443 CB ASN A 28 0.386 20.892 8.849 1.00 0.00 C ATOM 444 CG ASN A 28 0.461 19.969 10.049 1.00 0.00 C ATOM 445 OD1 ASN A 28 1.127 18.935 10.011 1.00 0.00 O ATOM 446 ND2 ASN A 28 -0.224 20.341 11.124 1.00 0.00 N ATOM 0 H ASN A 28 2.478 18.800 7.734 1.00 0.00 H new ATOM 0 HA ASN A 28 1.373 21.266 6.974 1.00 0.00 H new ATOM 0 HB2 ASN A 28 0.393 21.928 9.189 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -0.559 20.733 8.330 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -0.211 19.761 11.963 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -0.763 21.207 11.111 1.00 0.00 H new ATOM 453 N ASP A 29 3.463 20.247 9.295 1.00 0.00 N ATOM 454 CA ASP A 29 4.721 20.563 9.965 1.00 0.00 C ATOM 455 C ASP A 29 5.786 19.538 9.672 1.00 0.00 C ATOM 456 O ASP A 29 6.483 19.082 10.579 1.00 0.00 O ATOM 457 CB ASP A 29 4.507 20.691 11.475 1.00 0.00 C ATOM 458 CG ASP A 29 5.507 21.628 12.123 1.00 0.00 C ATOM 459 OD1 ASP A 29 6.576 21.865 11.521 1.00 0.00 O ATOM 460 OD2 ASP A 29 5.223 22.124 13.233 1.00 0.00 O ATOM 0 H ASP A 29 3.108 19.310 9.485 1.00 0.00 H new ATOM 0 HA ASP A 29 5.068 21.519 9.573 1.00 0.00 H new ATOM 0 HB2 ASP A 29 3.497 21.053 11.667 1.00 0.00 H new ATOM 0 HB3 ASP A 29 4.585 19.706 11.935 1.00 0.00 H new ATOM 465 N PRO A 30 5.975 19.186 8.393 1.00 0.00 N ATOM 466 CA PRO A 30 7.012 18.253 8.045 1.00 0.00 C ATOM 467 C PRO A 30 8.349 18.968 7.986 1.00 0.00 C ATOM 468 O PRO A 30 8.541 19.907 7.214 1.00 0.00 O ATOM 469 CB PRO A 30 6.590 17.778 6.657 1.00 0.00 C ATOM 470 CG PRO A 30 5.886 18.952 6.062 1.00 0.00 C ATOM 471 CD PRO A 30 5.249 19.693 7.213 1.00 0.00 C ATOM 0 HA PRO A 30 7.130 17.437 8.758 1.00 0.00 H new ATOM 0 HB2 PRO A 30 7.452 17.486 6.058 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.934 16.909 6.716 1.00 0.00 H new ATOM 0 HG2 PRO A 30 6.585 19.594 5.526 1.00 0.00 H new ATOM 0 HG3 PRO A 30 5.133 18.630 5.343 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.360 20.772 7.106 1.00 0.00 H new ATOM 0 HD3 PRO A 30 4.181 19.488 7.280 1.00 0.00 H new ATOM 479 N LEU A 31 9.261 18.509 8.811 1.00 0.00 N ATOM 480 CA LEU A 31 10.600 19.081 8.885 1.00 0.00 C ATOM 481 C LEU A 31 11.562 18.337 7.963 1.00 0.00 C ATOM 482 O LEU A 31 12.506 18.923 7.433 1.00 0.00 O ATOM 483 CB LEU A 31 11.117 19.037 10.324 1.00 0.00 C ATOM 484 CG LEU A 31 11.984 20.229 10.736 1.00 0.00 C ATOM 485 CD1 LEU A 31 13.302 20.216 9.978 1.00 0.00 C ATOM 486 CD2 LEU A 31 11.242 21.534 10.498 1.00 0.00 C ATOM 0 H LEU A 31 9.104 17.731 9.451 1.00 0.00 H new ATOM 0 HA LEU A 31 10.543 20.119 8.558 1.00 0.00 H new ATOM 0 HB2 LEU A 31 10.263 18.977 10.999 1.00 0.00 H new ATOM 0 HB3 LEU A 31 11.695 18.123 10.459 1.00 0.00 H new ATOM 0 HG LEU A 31 12.200 20.147 11.801 1.00 0.00 H new ATOM 0 HD11 LEU A 31 13.906 21.071 10.283 1.00 0.00 H new ATOM 0 HD12 LEU A 31 13.840 19.294 10.199 1.00 0.00 H new ATOM 0 HD13 LEU A 31 13.107 20.274 8.907 1.00 0.00 H new ATOM 0 HD21 LEU A 31 11.873 22.371 10.796 1.00 0.00 H new ATOM 0 HD22 LEU A 31 10.995 21.625 9.440 1.00 0.00 H new ATOM 0 HD23 LEU A 31 10.325 21.543 11.087 1.00 0.00 H new ATOM 498 N VAL A 32 11.316 17.044 7.777 1.00 0.00 N ATOM 499 CA VAL A 32 12.161 16.222 6.920 1.00 0.00 C ATOM 500 C VAL A 32 11.890 16.507 5.447 1.00 0.00 C ATOM 501 O VAL A 32 10.824 17.004 5.085 1.00 0.00 O ATOM 502 CB VAL A 32 11.944 14.721 7.188 1.00 0.00 C ATOM 503 CG1 VAL A 32 12.974 13.890 6.440 1.00 0.00 C ATOM 504 CG2 VAL A 32 11.998 14.432 8.681 1.00 0.00 C ATOM 0 H VAL A 32 10.539 16.544 8.208 1.00 0.00 H new ATOM 0 HA VAL A 32 13.194 16.479 7.155 1.00 0.00 H new ATOM 0 HB VAL A 32 10.955 14.445 6.823 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.804 12.832 6.642 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.882 14.074 5.370 1.00 0.00 H new ATOM 0 HG13 VAL A 32 13.975 14.167 6.771 1.00 0.00 H new ATOM 0 HG21 VAL A 32 11.843 13.367 8.851 1.00 0.00 H new ATOM 0 HG22 VAL A 32 12.972 14.724 9.073 1.00 0.00 H new ATOM 0 HG23 VAL A 32 11.218 14.998 9.190 1.00 0.00 H new ATOM 514 N SER A 33 12.864 16.189 4.599 1.00 0.00 N ATOM 515 CA SER A 33 12.731 16.411 3.164 1.00 0.00 C ATOM 516 C SER A 33 11.589 15.579 2.588 1.00 0.00 C ATOM 517 O SER A 33 11.124 14.627 3.214 1.00 0.00 O ATOM 518 CB SER A 33 14.039 16.066 2.451 1.00 0.00 C ATOM 519 OG SER A 33 15.152 16.249 3.308 1.00 0.00 O ATOM 0 H SER A 33 13.753 15.777 4.881 1.00 0.00 H new ATOM 0 HA SER A 33 12.505 17.465 3.004 1.00 0.00 H new ATOM 0 HB2 SER A 33 14.007 15.032 2.107 1.00 0.00 H new ATOM 0 HB3 SER A 33 14.151 16.693 1.566 1.00 0.00 H new ATOM 0 HG SER A 33 15.975 16.020 2.828 1.00 0.00 H new ATOM 525 N GLU A 34 11.145 15.945 1.390 1.00 0.00 N ATOM 526 CA GLU A 34 10.058 15.234 0.728 1.00 0.00 C ATOM 527 C GLU A 34 10.496 13.833 0.310 1.00 0.00 C ATOM 528 O GLU A 34 9.685 12.910 0.251 1.00 0.00 O ATOM 529 CB GLU A 34 9.580 16.016 -0.496 1.00 0.00 C ATOM 530 CG GLU A 34 10.687 16.327 -1.489 1.00 0.00 C ATOM 531 CD GLU A 34 11.190 17.753 -1.374 1.00 0.00 C ATOM 532 OE1 GLU A 34 11.508 18.182 -0.244 1.00 0.00 O ATOM 533 OE2 GLU A 34 11.267 18.441 -2.413 1.00 0.00 O ATOM 0 H GLU A 34 11.521 16.730 0.858 1.00 0.00 H new ATOM 0 HA GLU A 34 9.235 15.141 1.437 1.00 0.00 H new ATOM 0 HB2 GLU A 34 8.801 15.445 -1.000 1.00 0.00 H new ATOM 0 HB3 GLU A 34 9.127 16.951 -0.165 1.00 0.00 H new ATOM 0 HG2 GLU A 34 11.517 15.639 -1.329 1.00 0.00 H new ATOM 0 HG3 GLU A 34 10.321 16.155 -2.501 1.00 0.00 H new ATOM 540 N GLU A 35 11.786 13.683 0.023 1.00 0.00 N ATOM 541 CA GLU A 35 12.332 12.394 -0.388 1.00 0.00 C ATOM 542 C GLU A 35 12.082 11.330 0.676 1.00 0.00 C ATOM 543 O GLU A 35 11.853 10.163 0.359 1.00 0.00 O ATOM 544 CB GLU A 35 13.833 12.516 -0.661 1.00 0.00 C ATOM 545 CG GLU A 35 14.405 11.348 -1.447 1.00 0.00 C ATOM 546 CD GLU A 35 15.671 11.715 -2.198 1.00 0.00 C ATOM 547 OE1 GLU A 35 15.595 12.568 -3.106 1.00 0.00 O ATOM 548 OE2 GLU A 35 16.736 11.148 -1.878 1.00 0.00 O ATOM 0 H GLU A 35 12.471 14.437 0.067 1.00 0.00 H new ATOM 0 HA GLU A 35 11.826 12.090 -1.304 1.00 0.00 H new ATOM 0 HB2 GLU A 35 14.020 13.439 -1.210 1.00 0.00 H new ATOM 0 HB3 GLU A 35 14.361 12.597 0.289 1.00 0.00 H new ATOM 0 HG2 GLU A 35 14.617 10.525 -0.765 1.00 0.00 H new ATOM 0 HG3 GLU A 35 13.657 10.990 -2.155 1.00 0.00 H new ATOM 555 N ASP A 36 12.127 11.742 1.938 1.00 0.00 N ATOM 556 CA ASP A 36 11.905 10.824 3.050 1.00 0.00 C ATOM 557 C ASP A 36 10.509 10.218 2.990 1.00 0.00 C ATOM 558 O ASP A 36 10.273 9.118 3.491 1.00 0.00 O ATOM 559 CB ASP A 36 12.109 11.542 4.385 1.00 0.00 C ATOM 560 CG ASP A 36 12.465 10.587 5.507 1.00 0.00 C ATOM 561 OD1 ASP A 36 13.373 9.751 5.310 1.00 0.00 O ATOM 562 OD2 ASP A 36 11.836 10.673 6.582 1.00 0.00 O ATOM 0 H ASP A 36 12.315 12.705 2.217 1.00 0.00 H new ATOM 0 HA ASP A 36 12.632 10.016 2.968 1.00 0.00 H new ATOM 0 HB2 ASP A 36 12.901 12.284 4.278 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.199 12.082 4.646 1.00 0.00 H new ATOM 567 N MET A 37 9.595 10.946 2.375 1.00 0.00 N ATOM 568 CA MET A 37 8.214 10.496 2.241 1.00 0.00 C ATOM 569 C MET A 37 8.104 9.379 1.208 1.00 0.00 C ATOM 570 O MET A 37 7.245 8.504 1.315 1.00 0.00 O ATOM 571 CB MET A 37 7.311 11.665 1.844 1.00 0.00 C ATOM 572 CG MET A 37 5.831 11.321 1.855 1.00 0.00 C ATOM 573 SD MET A 37 5.195 11.042 3.519 1.00 0.00 S ATOM 574 CE MET A 37 5.650 12.579 4.317 1.00 0.00 C ATOM 0 H MET A 37 9.782 11.857 1.957 1.00 0.00 H new ATOM 0 HA MET A 37 7.889 10.107 3.206 1.00 0.00 H new ATOM 0 HB2 MET A 37 7.487 12.497 2.526 1.00 0.00 H new ATOM 0 HB3 MET A 37 7.589 12.006 0.847 1.00 0.00 H new ATOM 0 HG2 MET A 37 5.270 12.130 1.387 1.00 0.00 H new ATOM 0 HG3 MET A 37 5.665 10.428 1.252 1.00 0.00 H new ATOM 0 HE1 MET A 37 4.900 12.837 5.065 1.00 0.00 H new ATOM 0 HE2 MET A 37 6.620 12.465 4.800 1.00 0.00 H new ATOM 0 HE3 MET A 37 5.707 13.373 3.572 1.00 0.00 H new ATOM 584 N VAL A 38 8.976 9.416 0.207 1.00 0.00 N ATOM 585 CA VAL A 38 8.974 8.406 -0.844 1.00 0.00 C ATOM 586 C VAL A 38 9.537 7.081 -0.338 1.00 0.00 C ATOM 587 O VAL A 38 9.013 6.013 -0.649 1.00 0.00 O ATOM 588 CB VAL A 38 9.791 8.865 -2.066 1.00 0.00 C ATOM 589 CG1 VAL A 38 9.651 7.871 -3.210 1.00 0.00 C ATOM 590 CG2 VAL A 38 9.362 10.258 -2.507 1.00 0.00 C ATOM 0 H VAL A 38 9.693 10.134 0.101 1.00 0.00 H new ATOM 0 HA VAL A 38 7.935 8.265 -1.143 1.00 0.00 H new ATOM 0 HB VAL A 38 10.841 8.907 -1.778 1.00 0.00 H new ATOM 0 HG11 VAL A 38 10.236 8.214 -4.064 1.00 0.00 H new ATOM 0 HG12 VAL A 38 10.014 6.894 -2.890 1.00 0.00 H new ATOM 0 HG13 VAL A 38 8.602 7.792 -3.497 1.00 0.00 H new ATOM 0 HG21 VAL A 38 9.951 10.564 -3.372 1.00 0.00 H new ATOM 0 HG22 VAL A 38 8.305 10.246 -2.774 1.00 0.00 H new ATOM 0 HG23 VAL A 38 9.522 10.963 -1.691 1.00 0.00 H new ATOM 600 N THR A 39 10.612 7.161 0.440 1.00 0.00 N ATOM 601 CA THR A 39 11.252 5.968 0.985 1.00 0.00 C ATOM 602 C THR A 39 10.367 5.289 2.028 1.00 0.00 C ATOM 603 O THR A 39 10.173 4.075 1.991 1.00 0.00 O ATOM 604 CB THR A 39 12.604 6.328 1.605 1.00 0.00 C ATOM 605 OG1 THR A 39 13.238 5.176 2.130 1.00 0.00 O ATOM 606 CG2 THR A 39 12.500 7.345 2.722 1.00 0.00 C ATOM 0 H THR A 39 11.058 8.038 0.707 1.00 0.00 H new ATOM 0 HA THR A 39 11.407 5.269 0.163 1.00 0.00 H new ATOM 0 HB THR A 39 13.186 6.764 0.793 1.00 0.00 H new ATOM 0 HG1 THR A 39 14.101 5.427 2.520 1.00 0.00 H new ATOM 0 HG21 THR A 39 13.494 7.555 3.117 1.00 0.00 H new ATOM 0 HG22 THR A 39 12.061 8.265 2.337 1.00 0.00 H new ATOM 0 HG23 THR A 39 11.870 6.948 3.518 1.00 0.00 H new ATOM 614 N VAL A 40 9.838 6.079 2.959 1.00 0.00 N ATOM 615 CA VAL A 40 8.981 5.547 4.012 1.00 0.00 C ATOM 616 C VAL A 40 7.780 4.806 3.429 1.00 0.00 C ATOM 617 O VAL A 40 7.459 3.694 3.848 1.00 0.00 O ATOM 618 CB VAL A 40 8.493 6.665 4.960 1.00 0.00 C ATOM 619 CG1 VAL A 40 7.386 7.495 4.326 1.00 0.00 C ATOM 620 CG2 VAL A 40 8.036 6.077 6.286 1.00 0.00 C ATOM 0 H VAL A 40 9.988 7.087 3.005 1.00 0.00 H new ATOM 0 HA VAL A 40 9.583 4.842 4.585 1.00 0.00 H new ATOM 0 HB VAL A 40 9.334 7.332 5.147 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.069 8.271 5.023 1.00 0.00 H new ATOM 0 HG12 VAL A 40 7.757 7.958 3.411 1.00 0.00 H new ATOM 0 HG13 VAL A 40 6.539 6.851 4.089 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.696 6.879 6.941 1.00 0.00 H new ATOM 0 HG22 VAL A 40 7.217 5.379 6.112 1.00 0.00 H new ATOM 0 HG23 VAL A 40 8.867 5.552 6.757 1.00 0.00 H new ATOM 630 N VAL A 41 7.124 5.431 2.460 1.00 0.00 N ATOM 631 CA VAL A 41 5.960 4.834 1.815 1.00 0.00 C ATOM 632 C VAL A 41 6.358 3.619 0.984 1.00 0.00 C ATOM 633 O VAL A 41 5.603 2.652 0.877 1.00 0.00 O ATOM 634 CB VAL A 41 5.233 5.849 0.911 1.00 0.00 C ATOM 635 CG1 VAL A 41 3.961 5.245 0.336 1.00 0.00 C ATOM 636 CG2 VAL A 41 4.924 7.124 1.681 1.00 0.00 C ATOM 0 H VAL A 41 7.378 6.352 2.103 1.00 0.00 H new ATOM 0 HA VAL A 41 5.283 4.522 2.610 1.00 0.00 H new ATOM 0 HB VAL A 41 5.893 6.102 0.081 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.464 5.979 -0.299 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.211 4.364 -0.255 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.294 4.958 1.149 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.411 7.829 1.027 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.286 6.889 2.533 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.854 7.569 2.036 1.00 0.00 H new ATOM 646 N GLU A 42 7.550 3.675 0.397 1.00 0.00 N ATOM 647 CA GLU A 42 8.047 2.577 -0.425 1.00 0.00 C ATOM 648 C GLU A 42 8.414 1.375 0.438 1.00 0.00 C ATOM 649 O GLU A 42 8.177 0.229 0.057 1.00 0.00 O ATOM 650 CB GLU A 42 9.265 3.031 -1.234 1.00 0.00 C ATOM 651 CG GLU A 42 8.909 3.628 -2.585 1.00 0.00 C ATOM 652 CD GLU A 42 9.032 2.625 -3.716 1.00 0.00 C ATOM 653 OE1 GLU A 42 10.109 2.007 -3.847 1.00 0.00 O ATOM 654 OE2 GLU A 42 8.050 2.459 -4.470 1.00 0.00 O ATOM 0 H GLU A 42 8.188 4.467 0.475 1.00 0.00 H new ATOM 0 HA GLU A 42 7.254 2.280 -1.111 1.00 0.00 H new ATOM 0 HB2 GLU A 42 9.821 3.769 -0.655 1.00 0.00 H new ATOM 0 HB3 GLU A 42 9.928 2.179 -1.386 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.889 4.010 -2.552 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.561 4.478 -2.786 1.00 0.00 H new ATOM 661 N ASP A 43 8.994 1.645 1.603 1.00 0.00 N ATOM 662 CA ASP A 43 9.393 0.585 2.522 1.00 0.00 C ATOM 663 C ASP A 43 8.197 0.078 3.323 1.00 0.00 C ATOM 664 O ASP A 43 8.154 -1.084 3.723 1.00 0.00 O ATOM 665 CB ASP A 43 10.480 1.089 3.473 1.00 0.00 C ATOM 666 CG ASP A 43 11.368 -0.030 3.980 1.00 0.00 C ATOM 667 OD1 ASP A 43 11.979 -0.730 3.144 1.00 0.00 O ATOM 668 OD2 ASP A 43 11.453 -0.207 5.213 1.00 0.00 O ATOM 0 H ASP A 43 9.198 2.588 1.933 1.00 0.00 H new ATOM 0 HA ASP A 43 9.789 -0.242 1.932 1.00 0.00 H new ATOM 0 HB2 ASP A 43 11.092 1.831 2.960 1.00 0.00 H new ATOM 0 HB3 ASP A 43 10.013 1.591 4.320 1.00 0.00 H new ATOM 673 N TRP A 44 7.228 0.959 3.552 1.00 0.00 N ATOM 674 CA TRP A 44 6.031 0.600 4.305 1.00 0.00 C ATOM 675 C TRP A 44 5.292 -0.555 3.636 1.00 0.00 C ATOM 676 O TRP A 44 4.864 -1.500 4.300 1.00 0.00 O ATOM 677 CB TRP A 44 5.103 1.810 4.435 1.00 0.00 C ATOM 678 CG TRP A 44 5.305 2.584 5.702 1.00 0.00 C ATOM 679 CD1 TRP A 44 6.416 2.584 6.496 1.00 0.00 C ATOM 680 CD2 TRP A 44 4.368 3.471 6.323 1.00 0.00 C ATOM 681 NE1 TRP A 44 6.227 3.417 7.572 1.00 0.00 N ATOM 682 CE2 TRP A 44 4.978 3.973 7.488 1.00 0.00 C ATOM 683 CE3 TRP A 44 3.073 3.891 6.007 1.00 0.00 C ATOM 684 CZ2 TRP A 44 4.336 4.872 8.336 1.00 0.00 C ATOM 685 CZ3 TRP A 44 2.438 4.784 6.848 1.00 0.00 C ATOM 686 CH2 TRP A 44 3.070 5.266 8.001 1.00 0.00 C ATOM 0 H TRP A 44 7.248 1.926 3.227 1.00 0.00 H new ATOM 0 HA TRP A 44 6.340 0.280 5.300 1.00 0.00 H new ATOM 0 HB2 TRP A 44 5.262 2.473 3.584 1.00 0.00 H new ATOM 0 HB3 TRP A 44 4.068 1.471 4.386 1.00 0.00 H new ATOM 0 HD1 TRP A 44 7.312 2.013 6.306 1.00 0.00 H new ATOM 0 HE1 TRP A 44 6.906 3.593 8.313 1.00 0.00 H new ATOM 0 HE3 TRP A 44 2.577 3.524 5.121 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 4.821 5.245 9.226 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 1.438 5.116 6.612 1.00 0.00 H new ATOM 0 HH2 TRP A 44 2.547 5.963 8.639 1.00 0.00 H new ATOM 697 N MET A 45 5.145 -0.473 2.317 1.00 0.00 N ATOM 698 CA MET A 45 4.458 -1.510 1.558 1.00 0.00 C ATOM 699 C MET A 45 5.220 -2.830 1.629 1.00 0.00 C ATOM 700 O MET A 45 4.621 -3.906 1.620 1.00 0.00 O ATOM 701 CB MET A 45 4.294 -1.081 0.099 1.00 0.00 C ATOM 702 CG MET A 45 5.592 -0.638 -0.554 1.00 0.00 C ATOM 703 SD MET A 45 5.472 -0.558 -2.351 1.00 0.00 S ATOM 704 CE MET A 45 3.898 0.272 -2.550 1.00 0.00 C ATOM 0 H MET A 45 5.493 0.302 1.752 1.00 0.00 H new ATOM 0 HA MET A 45 3.472 -1.655 1.999 1.00 0.00 H new ATOM 0 HB2 MET A 45 3.875 -1.911 -0.470 1.00 0.00 H new ATOM 0 HB3 MET A 45 3.574 -0.264 0.048 1.00 0.00 H new ATOM 0 HG2 MET A 45 5.872 0.342 -0.168 1.00 0.00 H new ATOM 0 HG3 MET A 45 6.388 -1.329 -0.277 1.00 0.00 H new ATOM 0 HE1 MET A 45 3.848 0.724 -3.541 1.00 0.00 H new ATOM 0 HE2 MET A 45 3.089 -0.450 -2.439 1.00 0.00 H new ATOM 0 HE3 MET A 45 3.798 1.048 -1.792 1.00 0.00 H new ATOM 714 N ASN A 46 6.544 -2.740 1.700 1.00 0.00 N ATOM 715 CA ASN A 46 7.388 -3.927 1.772 1.00 0.00 C ATOM 716 C ASN A 46 7.053 -4.759 3.006 1.00 0.00 C ATOM 717 O ASN A 46 7.025 -5.989 2.949 1.00 0.00 O ATOM 718 CB ASN A 46 8.864 -3.527 1.798 1.00 0.00 C ATOM 719 CG ASN A 46 9.739 -4.495 1.025 1.00 0.00 C ATOM 720 OD1 ASN A 46 9.750 -5.695 1.299 1.00 0.00 O ATOM 721 ND2 ASN A 46 10.478 -3.976 0.051 1.00 0.00 N ATOM 0 H ASN A 46 7.056 -1.858 1.709 1.00 0.00 H new ATOM 0 HA ASN A 46 7.198 -4.532 0.886 1.00 0.00 H new ATOM 0 HB2 ASN A 46 8.974 -2.527 1.378 1.00 0.00 H new ATOM 0 HB3 ASN A 46 9.206 -3.478 2.832 1.00 0.00 H new ATOM 0 HD21 ASN A 46 11.086 -4.578 -0.504 1.00 0.00 H new ATOM 0 HD22 ASN A 46 10.438 -2.975 -0.142 1.00 0.00 H new ATOM 728 N PHE A 47 6.799 -4.080 4.120 1.00 0.00 N ATOM 729 CA PHE A 47 6.466 -4.756 5.368 1.00 0.00 C ATOM 730 C PHE A 47 5.064 -5.356 5.303 1.00 0.00 C ATOM 731 O PHE A 47 4.820 -6.445 5.823 1.00 0.00 O ATOM 732 CB PHE A 47 6.563 -3.781 6.543 1.00 0.00 C ATOM 733 CG PHE A 47 7.910 -3.775 7.207 1.00 0.00 C ATOM 734 CD1 PHE A 47 8.957 -3.041 6.675 1.00 0.00 C ATOM 735 CD2 PHE A 47 8.128 -4.505 8.365 1.00 0.00 C ATOM 736 CE1 PHE A 47 10.198 -3.034 7.284 1.00 0.00 C ATOM 737 CE2 PHE A 47 9.366 -4.502 8.980 1.00 0.00 C ATOM 738 CZ PHE A 47 10.402 -3.766 8.439 1.00 0.00 C ATOM 0 H PHE A 47 6.818 -3.062 4.184 1.00 0.00 H new ATOM 0 HA PHE A 47 7.182 -5.564 5.517 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.336 -2.775 6.190 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.804 -4.038 7.282 1.00 0.00 H new ATOM 0 HD1 PHE A 47 8.802 -2.467 5.773 1.00 0.00 H new ATOM 0 HD2 PHE A 47 7.321 -5.083 8.792 1.00 0.00 H new ATOM 0 HE1 PHE A 47 11.006 -2.458 6.858 1.00 0.00 H new ATOM 0 HE2 PHE A 47 9.523 -5.074 9.882 1.00 0.00 H new ATOM 0 HZ PHE A 47 11.370 -3.762 8.918 1.00 0.00 H new ATOM 748 N TYR A 48 4.148 -4.638 4.663 1.00 0.00 N ATOM 749 CA TYR A 48 2.771 -5.099 4.531 1.00 0.00 C ATOM 750 C TYR A 48 2.701 -6.370 3.690 1.00 0.00 C ATOM 751 O TYR A 48 1.987 -7.313 4.030 1.00 0.00 O ATOM 752 CB TYR A 48 1.904 -4.008 3.899 1.00 0.00 C ATOM 753 CG TYR A 48 1.487 -2.928 4.872 1.00 0.00 C ATOM 754 CD1 TYR A 48 2.418 -2.314 5.699 1.00 0.00 C ATOM 755 CD2 TYR A 48 0.161 -2.523 4.962 1.00 0.00 C ATOM 756 CE1 TYR A 48 2.040 -1.326 6.590 1.00 0.00 C ATOM 757 CE2 TYR A 48 -0.225 -1.535 5.848 1.00 0.00 C ATOM 758 CZ TYR A 48 0.717 -0.941 6.660 1.00 0.00 C ATOM 759 OH TYR A 48 0.337 0.042 7.544 1.00 0.00 O ATOM 0 H TYR A 48 4.334 -3.735 4.228 1.00 0.00 H new ATOM 0 HA TYR A 48 2.392 -5.323 5.528 1.00 0.00 H new ATOM 0 HB2 TYR A 48 2.452 -3.551 3.075 1.00 0.00 H new ATOM 0 HB3 TYR A 48 1.011 -4.466 3.473 1.00 0.00 H new ATOM 0 HD1 TYR A 48 3.454 -2.613 5.646 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.580 -2.988 4.329 1.00 0.00 H new ATOM 0 HE1 TYR A 48 2.776 -0.859 7.227 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -1.260 -1.230 5.904 1.00 0.00 H new ATOM 0 HH TYR A 48 1.030 0.734 7.582 1.00 0.00 H new ATOM 769 N ILE A 49 3.448 -6.388 2.591 1.00 0.00 N ATOM 770 CA ILE A 49 3.472 -7.543 1.702 1.00 0.00 C ATOM 771 C ILE A 49 4.061 -8.762 2.404 1.00 0.00 C ATOM 772 O ILE A 49 3.558 -9.877 2.258 1.00 0.00 O ATOM 773 CB ILE A 49 4.287 -7.254 0.425 1.00 0.00 C ATOM 774 CG1 ILE A 49 3.813 -5.954 -0.228 1.00 0.00 C ATOM 775 CG2 ILE A 49 4.174 -8.415 -0.552 1.00 0.00 C ATOM 776 CD1 ILE A 49 4.936 -5.130 -0.817 1.00 0.00 C ATOM 0 H ILE A 49 4.045 -5.616 2.295 1.00 0.00 H new ATOM 0 HA ILE A 49 2.439 -7.751 1.423 1.00 0.00 H new ATOM 0 HB ILE A 49 5.335 -7.138 0.702 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.097 -6.192 -1.014 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.285 -5.356 0.514 1.00 0.00 H new ATOM 0 HG21 ILE A 49 4.755 -8.195 -1.448 1.00 0.00 H new ATOM 0 HG22 ILE A 49 4.557 -9.322 -0.085 1.00 0.00 H new ATOM 0 HG23 ILE A 49 3.129 -8.561 -0.824 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.527 -4.223 -1.263 1.00 0.00 H new ATOM 0 HD12 ILE A 49 5.641 -4.861 -0.031 1.00 0.00 H new ATOM 0 HD13 ILE A 49 5.450 -5.711 -1.583 1.00 0.00 H new ATOM 788 N ASN A 50 5.128 -8.543 3.165 1.00 0.00 N ATOM 789 CA ASN A 50 5.785 -9.625 3.890 1.00 0.00 C ATOM 790 C ASN A 50 4.847 -10.230 4.930 1.00 0.00 C ATOM 791 O ASN A 50 4.929 -11.420 5.235 1.00 0.00 O ATOM 792 CB ASN A 50 7.057 -9.114 4.568 1.00 0.00 C ATOM 793 CG ASN A 50 8.176 -10.136 4.544 1.00 0.00 C ATOM 794 OD1 ASN A 50 8.835 -10.328 3.523 1.00 0.00 O ATOM 795 ND2 ASN A 50 8.395 -10.799 5.674 1.00 0.00 N ATOM 0 H ASN A 50 5.556 -7.627 3.296 1.00 0.00 H new ATOM 0 HA ASN A 50 6.052 -10.401 3.173 1.00 0.00 H new ATOM 0 HB2 ASN A 50 7.390 -8.203 4.070 1.00 0.00 H new ATOM 0 HB3 ASN A 50 6.833 -8.849 5.601 1.00 0.00 H new ATOM 0 HD21 ASN A 50 9.135 -11.500 5.719 1.00 0.00 H new ATOM 0 HD22 ASN A 50 7.824 -10.607 6.497 1.00 0.00 H new ATOM 802 N TYR A 51 3.958 -9.404 5.470 1.00 0.00 N ATOM 803 CA TYR A 51 3.005 -9.859 6.477 1.00 0.00 C ATOM 804 C TYR A 51 1.918 -10.723 5.846 1.00 0.00 C ATOM 805 O TYR A 51 1.672 -11.846 6.285 1.00 0.00 O ATOM 806 CB TYR A 51 2.373 -8.662 7.189 1.00 0.00 C ATOM 807 CG TYR A 51 2.102 -8.903 8.656 1.00 0.00 C ATOM 808 CD1 TYR A 51 3.146 -9.105 9.550 1.00 0.00 C ATOM 809 CD2 TYR A 51 0.803 -8.930 9.147 1.00 0.00 C ATOM 810 CE1 TYR A 51 2.902 -9.327 10.893 1.00 0.00 C ATOM 811 CE2 TYR A 51 0.551 -9.150 10.488 1.00 0.00 C ATOM 812 CZ TYR A 51 1.605 -9.348 11.357 1.00 0.00 C ATOM 813 OH TYR A 51 1.358 -9.568 12.692 1.00 0.00 O ATOM 0 H TYR A 51 3.877 -8.416 5.228 1.00 0.00 H new ATOM 0 HA TYR A 51 3.545 -10.462 7.206 1.00 0.00 H new ATOM 0 HB2 TYR A 51 3.032 -7.800 7.087 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.437 -8.408 6.692 1.00 0.00 H new ATOM 0 HD1 TYR A 51 4.164 -9.088 9.190 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.024 -8.777 8.470 1.00 0.00 H new ATOM 0 HE1 TYR A 51 3.725 -9.483 11.575 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -0.465 -9.167 10.854 1.00 0.00 H new ATOM 0 HH TYR A 51 0.391 -9.551 12.853 1.00 0.00 H new ATOM 823 N TYR A 52 1.271 -10.190 4.814 1.00 0.00 N ATOM 824 CA TYR A 52 0.209 -10.914 4.123 1.00 0.00 C ATOM 825 C TYR A 52 0.735 -12.219 3.534 1.00 0.00 C ATOM 826 O TYR A 52 0.088 -13.262 3.637 1.00 0.00 O ATOM 827 CB TYR A 52 -0.390 -10.046 3.016 1.00 0.00 C ATOM 828 CG TYR A 52 -1.324 -8.972 3.526 1.00 0.00 C ATOM 829 CD1 TYR A 52 -2.526 -9.304 4.138 1.00 0.00 C ATOM 830 CD2 TYR A 52 -1.004 -7.626 3.395 1.00 0.00 C ATOM 831 CE1 TYR A 52 -3.383 -8.325 4.606 1.00 0.00 C ATOM 832 CE2 TYR A 52 -1.855 -6.641 3.860 1.00 0.00 C ATOM 833 CZ TYR A 52 -3.042 -6.996 4.464 1.00 0.00 C ATOM 834 OH TYR A 52 -3.893 -6.019 4.928 1.00 0.00 O ATOM 0 H TYR A 52 1.463 -9.261 4.438 1.00 0.00 H new ATOM 0 HA TYR A 52 -0.568 -11.152 4.850 1.00 0.00 H new ATOM 0 HB2 TYR A 52 0.419 -9.576 2.457 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -0.931 -10.685 2.318 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -2.796 -10.344 4.250 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -0.075 -7.345 2.922 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -4.314 -8.599 5.080 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -1.591 -5.599 3.751 1.00 0.00 H new ATOM 0 HH TYR A 52 -3.392 -5.385 5.483 1.00 0.00 H new ATOM 844 N ARG A 53 1.912 -12.154 2.920 1.00 0.00 N ATOM 845 CA ARG A 53 2.525 -13.331 2.316 1.00 0.00 C ATOM 846 C ARG A 53 2.724 -14.438 3.350 1.00 0.00 C ATOM 847 O ARG A 53 2.822 -15.614 3.001 1.00 0.00 O ATOM 848 CB ARG A 53 3.868 -12.964 1.682 1.00 0.00 C ATOM 849 CG ARG A 53 4.214 -13.801 0.461 1.00 0.00 C ATOM 850 CD ARG A 53 5.042 -13.015 -0.543 1.00 0.00 C ATOM 851 NE ARG A 53 6.400 -13.539 -0.662 1.00 0.00 N ATOM 852 CZ ARG A 53 7.328 -13.021 -1.463 1.00 0.00 C ATOM 853 NH1 ARG A 53 7.048 -11.964 -2.217 1.00 0.00 N ATOM 854 NH2 ARG A 53 8.538 -13.559 -1.512 1.00 0.00 N ATOM 0 H ARG A 53 2.460 -11.299 2.828 1.00 0.00 H new ATOM 0 HA ARG A 53 1.852 -13.700 1.542 1.00 0.00 H new ATOM 0 HB2 ARG A 53 3.851 -11.912 1.398 1.00 0.00 H new ATOM 0 HB3 ARG A 53 4.656 -13.080 2.427 1.00 0.00 H new ATOM 0 HG2 ARG A 53 4.765 -14.688 0.772 1.00 0.00 H new ATOM 0 HG3 ARG A 53 3.296 -14.147 -0.015 1.00 0.00 H new ATOM 0 HD2 ARG A 53 4.555 -13.046 -1.518 1.00 0.00 H new ATOM 0 HD3 ARG A 53 5.082 -11.969 -0.240 1.00 0.00 H new ATOM 0 HE ARG A 53 6.652 -14.350 -0.098 1.00 0.00 H new ATOM 0 HH11 ARG A 53 6.118 -11.546 -2.184 1.00 0.00 H new ATOM 0 HH12 ARG A 53 7.763 -11.571 -2.829 1.00 0.00 H new ATOM 0 HH21 ARG A 53 8.759 -14.371 -0.935 1.00 0.00 H new ATOM 0 HH22 ARG A 53 9.249 -13.161 -2.126 1.00 0.00 H new ATOM 868 N GLN A 54 2.784 -14.055 4.622 1.00 0.00 N ATOM 869 CA GLN A 54 2.970 -15.018 5.701 1.00 0.00 C ATOM 870 C GLN A 54 1.634 -15.607 6.158 1.00 0.00 C ATOM 871 O GLN A 54 1.586 -16.386 7.110 1.00 0.00 O ATOM 872 CB GLN A 54 3.677 -14.356 6.885 1.00 0.00 C ATOM 873 CG GLN A 54 5.193 -14.355 6.764 1.00 0.00 C ATOM 874 CD GLN A 54 5.884 -14.436 8.111 1.00 0.00 C ATOM 875 OE1 GLN A 54 5.879 -15.480 8.763 1.00 0.00 O ATOM 876 NE2 GLN A 54 6.483 -13.329 8.536 1.00 0.00 N ATOM 0 H GLN A 54 2.707 -13.086 4.930 1.00 0.00 H new ATOM 0 HA GLN A 54 3.588 -15.831 5.319 1.00 0.00 H new ATOM 0 HB2 GLN A 54 3.327 -13.328 6.978 1.00 0.00 H new ATOM 0 HB3 GLN A 54 3.394 -14.873 7.802 1.00 0.00 H new ATOM 0 HG2 GLN A 54 5.505 -15.198 6.148 1.00 0.00 H new ATOM 0 HG3 GLN A 54 5.512 -13.449 6.250 1.00 0.00 H new ATOM 0 HE21 GLN A 54 6.462 -12.486 7.963 1.00 0.00 H new ATOM 0 HE22 GLN A 54 6.964 -13.322 9.436 1.00 0.00 H new ATOM 885 N GLN A 55 0.553 -15.235 5.478 1.00 0.00 N ATOM 886 CA GLN A 55 -0.775 -15.733 5.822 1.00 0.00 C ATOM 887 C GLN A 55 -1.643 -15.875 4.575 1.00 0.00 C ATOM 888 O GLN A 55 -2.795 -15.442 4.553 1.00 0.00 O ATOM 889 CB GLN A 55 -1.448 -14.794 6.825 1.00 0.00 C ATOM 890 CG GLN A 55 -2.678 -15.394 7.487 1.00 0.00 C ATOM 891 CD GLN A 55 -2.387 -15.932 8.874 1.00 0.00 C ATOM 892 OE1 GLN A 55 -2.594 -17.115 9.149 1.00 0.00 O ATOM 893 NE2 GLN A 55 -1.907 -15.066 9.758 1.00 0.00 N ATOM 0 H GLN A 55 0.571 -14.591 4.687 1.00 0.00 H new ATOM 0 HA GLN A 55 -0.662 -16.718 6.276 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -0.727 -14.521 7.596 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.732 -13.874 6.315 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.458 -14.636 7.551 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -3.066 -16.199 6.863 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.751 -14.095 9.488 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -1.695 -15.372 10.708 1.00 0.00 H new ATOM 902 N VAL A 56 -1.080 -16.486 3.536 1.00 0.00 N ATOM 903 CA VAL A 56 -1.801 -16.687 2.284 1.00 0.00 C ATOM 904 C VAL A 56 -2.418 -18.081 2.227 1.00 0.00 C ATOM 905 O VAL A 56 -2.196 -18.904 3.115 1.00 0.00 O ATOM 906 CB VAL A 56 -0.885 -16.495 1.053 1.00 0.00 C ATOM 907 CG1 VAL A 56 -1.655 -15.848 -0.090 1.00 0.00 C ATOM 908 CG2 VAL A 56 0.344 -15.669 1.408 1.00 0.00 C ATOM 0 H VAL A 56 -0.127 -16.850 3.537 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.589 -15.934 2.255 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.546 -17.479 0.728 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.994 -15.721 -0.948 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.494 -16.485 -0.370 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -2.028 -14.875 0.228 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.970 -15.550 0.524 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.032 -14.688 1.767 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.911 -16.177 2.188 1.00 0.00 H new ATOM 918 N THR A 57 -3.185 -18.340 1.172 1.00 0.00 N ATOM 919 CA THR A 57 -3.828 -19.627 0.987 1.00 0.00 C ATOM 920 C THR A 57 -4.346 -19.759 -0.438 1.00 0.00 C ATOM 921 O THR A 57 -4.797 -18.786 -1.043 1.00 0.00 O ATOM 922 CB THR A 57 -4.981 -19.814 1.970 1.00 0.00 C ATOM 923 OG1 THR A 57 -5.730 -18.618 2.101 1.00 0.00 O ATOM 924 CG2 THR A 57 -4.534 -20.233 3.353 1.00 0.00 C ATOM 0 H THR A 57 -3.374 -17.667 0.430 1.00 0.00 H new ATOM 0 HA THR A 57 -3.084 -20.401 1.175 1.00 0.00 H new ATOM 0 HB THR A 57 -5.588 -20.615 1.548 1.00 0.00 H new ATOM 0 HG1 THR A 57 -6.465 -18.760 2.734 1.00 0.00 H new ATOM 0 HG21 THR A 57 -5.405 -20.347 3.998 1.00 0.00 H new ATOM 0 HG22 THR A 57 -4.001 -21.182 3.291 1.00 0.00 H new ATOM 0 HG23 THR A 57 -3.873 -19.472 3.768 1.00 0.00 H new ATOM 932 N GLY A 58 -4.269 -20.966 -0.959 1.00 0.00 N ATOM 933 CA GLY A 58 -4.722 -21.230 -2.309 1.00 0.00 C ATOM 934 C GLY A 58 -3.748 -22.094 -3.078 1.00 0.00 C ATOM 935 O GLY A 58 -3.325 -23.148 -2.605 1.00 0.00 O ATOM 0 H GLY A 58 -3.897 -21.779 -0.469 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -5.694 -21.723 -2.275 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -4.862 -20.286 -2.835 1.00 0.00 H new ATOM 939 N GLU A 59 -3.392 -21.637 -4.266 1.00 0.00 N ATOM 940 CA GLU A 59 -2.456 -22.358 -5.120 1.00 0.00 C ATOM 941 C GLU A 59 -1.192 -21.534 -5.347 1.00 0.00 C ATOM 942 O GLU A 59 -1.188 -20.321 -5.137 1.00 0.00 O ATOM 943 CB GLU A 59 -3.108 -22.696 -6.464 1.00 0.00 C ATOM 944 CG GLU A 59 -4.546 -23.175 -6.340 1.00 0.00 C ATOM 945 CD GLU A 59 -4.858 -24.328 -7.273 1.00 0.00 C ATOM 946 OE1 GLU A 59 -4.109 -25.327 -7.254 1.00 0.00 O ATOM 947 OE2 GLU A 59 -5.853 -24.233 -8.023 1.00 0.00 O ATOM 0 H GLU A 59 -3.738 -20.765 -4.666 1.00 0.00 H new ATOM 0 HA GLU A 59 -2.183 -23.286 -4.618 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -3.082 -21.813 -7.103 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.519 -23.467 -6.961 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -4.735 -23.483 -5.312 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -5.221 -22.346 -6.554 1.00 0.00 H new ATOM 954 N PRO A 60 -0.097 -22.182 -5.778 1.00 0.00 N ATOM 955 CA PRO A 60 1.176 -21.500 -6.028 1.00 0.00 C ATOM 956 C PRO A 60 1.007 -20.250 -6.886 1.00 0.00 C ATOM 957 O PRO A 60 1.461 -19.166 -6.517 1.00 0.00 O ATOM 958 CB PRO A 60 1.999 -22.552 -6.772 1.00 0.00 C ATOM 959 CG PRO A 60 1.455 -23.856 -6.300 1.00 0.00 C ATOM 960 CD PRO A 60 -0.012 -23.630 -6.052 1.00 0.00 C ATOM 0 HA PRO A 60 1.639 -21.149 -5.106 1.00 0.00 H new ATOM 0 HB2 PRO A 60 1.895 -22.446 -7.852 1.00 0.00 H new ATOM 0 HB3 PRO A 60 3.061 -22.459 -6.544 1.00 0.00 H new ATOM 0 HG2 PRO A 60 1.609 -24.636 -7.046 1.00 0.00 H new ATOM 0 HG3 PRO A 60 1.959 -24.182 -5.390 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -0.613 -23.911 -6.917 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -0.372 -24.220 -5.209 1.00 0.00 H new ATOM 968 N GLN A 61 0.356 -20.408 -8.032 1.00 0.00 N ATOM 969 CA GLN A 61 0.129 -19.291 -8.944 1.00 0.00 C ATOM 970 C GLN A 61 -0.967 -18.367 -8.423 1.00 0.00 C ATOM 971 O GLN A 61 -0.933 -17.158 -8.655 1.00 0.00 O ATOM 972 CB GLN A 61 -0.242 -19.808 -10.335 1.00 0.00 C ATOM 973 CG GLN A 61 -1.518 -20.633 -10.357 1.00 0.00 C ATOM 974 CD GLN A 61 -1.813 -21.212 -11.726 1.00 0.00 C ATOM 975 OE1 GLN A 61 -1.577 -22.394 -11.978 1.00 0.00 O ATOM 976 NE2 GLN A 61 -2.334 -20.381 -12.621 1.00 0.00 N ATOM 0 H GLN A 61 -0.024 -21.298 -8.353 1.00 0.00 H new ATOM 0 HA GLN A 61 1.055 -18.719 -9.009 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -0.356 -18.960 -11.010 1.00 0.00 H new ATOM 0 HB3 GLN A 61 0.579 -20.413 -10.719 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -1.435 -21.444 -9.634 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -2.355 -20.010 -10.042 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -2.514 -19.409 -12.370 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -2.555 -20.715 -13.559 1.00 0.00 H new ATOM 985 N GLU A 62 -1.939 -18.939 -7.720 1.00 0.00 N ATOM 986 CA GLU A 62 -3.042 -18.159 -7.172 1.00 0.00 C ATOM 987 C GLU A 62 -2.535 -17.166 -6.132 1.00 0.00 C ATOM 988 O GLU A 62 -2.832 -15.973 -6.203 1.00 0.00 O ATOM 989 CB GLU A 62 -4.093 -19.082 -6.552 1.00 0.00 C ATOM 990 CG GLU A 62 -5.335 -19.253 -7.410 1.00 0.00 C ATOM 991 CD GLU A 62 -6.604 -19.346 -6.587 1.00 0.00 C ATOM 992 OE1 GLU A 62 -6.867 -18.418 -5.794 1.00 0.00 O ATOM 993 OE2 GLU A 62 -7.336 -20.348 -6.735 1.00 0.00 O ATOM 0 H GLU A 62 -1.985 -19.937 -7.517 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.503 -17.601 -7.987 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.646 -20.060 -6.375 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.385 -18.685 -5.580 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.414 -18.412 -8.099 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.232 -20.153 -8.016 1.00 0.00 H new ATOM 1000 N ARG A 63 -1.767 -17.664 -5.170 1.00 0.00 N ATOM 1001 CA ARG A 63 -1.216 -16.821 -4.123 1.00 0.00 C ATOM 1002 C ARG A 63 -0.326 -15.736 -4.718 1.00 0.00 C ATOM 1003 O ARG A 63 -0.285 -14.609 -4.221 1.00 0.00 O ATOM 1004 CB ARG A 63 -0.421 -17.671 -3.131 1.00 0.00 C ATOM 1005 CG ARG A 63 0.826 -18.302 -3.729 1.00 0.00 C ATOM 1006 CD ARG A 63 1.710 -18.917 -2.655 1.00 0.00 C ATOM 1007 NE ARG A 63 0.944 -19.729 -1.713 1.00 0.00 N ATOM 1008 CZ ARG A 63 1.436 -20.202 -0.571 1.00 0.00 C ATOM 1009 NH1 ARG A 63 2.693 -19.947 -0.226 1.00 0.00 N ATOM 1010 NH2 ARG A 63 0.672 -20.933 0.228 1.00 0.00 N ATOM 0 H ARG A 63 -1.513 -18.649 -5.096 1.00 0.00 H new ATOM 0 HA ARG A 63 -2.040 -16.338 -3.597 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.132 -17.049 -2.283 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -1.066 -18.459 -2.743 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.538 -19.069 -4.448 1.00 0.00 H new ATOM 0 HG3 ARG A 63 1.390 -17.547 -4.277 1.00 0.00 H new ATOM 0 HD2 ARG A 63 2.476 -19.534 -3.125 1.00 0.00 H new ATOM 0 HD3 ARG A 63 2.227 -18.125 -2.114 1.00 0.00 H new ATOM 0 HE ARG A 63 -0.025 -19.946 -1.944 1.00 0.00 H new ATOM 0 HH11 ARG A 63 3.286 -19.386 -0.838 1.00 0.00 H new ATOM 0 HH12 ARG A 63 3.065 -20.312 0.651 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -0.294 -21.133 -0.033 1.00 0.00 H new ATOM 0 HH22 ARG A 63 1.050 -21.295 1.103 1.00 0.00 H new ATOM 1024 N ASP A 64 0.381 -16.082 -5.789 1.00 0.00 N ATOM 1025 CA ASP A 64 1.268 -15.138 -6.459 1.00 0.00 C ATOM 1026 C ASP A 64 0.466 -14.078 -7.205 1.00 0.00 C ATOM 1027 O ASP A 64 0.868 -12.916 -7.277 1.00 0.00 O ATOM 1028 CB ASP A 64 2.190 -15.876 -7.430 1.00 0.00 C ATOM 1029 CG ASP A 64 3.574 -15.262 -7.492 1.00 0.00 C ATOM 1030 OD1 ASP A 64 3.672 -14.018 -7.526 1.00 0.00 O ATOM 1031 OD2 ASP A 64 4.562 -16.027 -7.508 1.00 0.00 O ATOM 0 H ASP A 64 0.357 -17.010 -6.212 1.00 0.00 H new ATOM 0 HA ASP A 64 1.874 -14.642 -5.701 1.00 0.00 H new ATOM 0 HB2 ASP A 64 2.272 -16.920 -7.127 1.00 0.00 H new ATOM 0 HB3 ASP A 64 1.747 -15.867 -8.426 1.00 0.00 H new ATOM 1036 N LYS A 65 -0.669 -14.487 -7.763 1.00 0.00 N ATOM 1037 CA LYS A 65 -1.528 -13.573 -8.509 1.00 0.00 C ATOM 1038 C LYS A 65 -2.146 -12.526 -7.587 1.00 0.00 C ATOM 1039 O LYS A 65 -2.257 -11.355 -7.949 1.00 0.00 O ATOM 1040 CB LYS A 65 -2.631 -14.353 -9.227 1.00 0.00 C ATOM 1041 CG LYS A 65 -2.951 -13.816 -10.612 1.00 0.00 C ATOM 1042 CD LYS A 65 -4.180 -12.921 -10.594 1.00 0.00 C ATOM 1043 CE LYS A 65 -3.798 -11.450 -10.573 1.00 0.00 C ATOM 1044 NZ LYS A 65 -4.739 -10.620 -11.374 1.00 0.00 N ATOM 0 H LYS A 65 -1.016 -15.445 -7.713 1.00 0.00 H new ATOM 0 HA LYS A 65 -0.914 -13.058 -9.248 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -2.330 -15.397 -9.312 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.536 -14.330 -8.619 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -2.097 -13.255 -10.992 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -3.116 -14.648 -11.297 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -4.794 -13.126 -11.471 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -4.787 -13.153 -9.719 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -3.786 -11.093 -9.543 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -2.787 -11.332 -10.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -4.443 -9.624 -11.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -4.732 -10.944 -12.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -5.700 -10.712 -10.986 1.00 0.00 H new ATOM 1058 N ALA A 66 -2.550 -12.955 -6.395 1.00 0.00 N ATOM 1059 CA ALA A 66 -3.158 -12.052 -5.426 1.00 0.00 C ATOM 1060 C ALA A 66 -2.116 -11.133 -4.802 1.00 0.00 C ATOM 1061 O ALA A 66 -2.398 -9.973 -4.498 1.00 0.00 O ATOM 1062 CB ALA A 66 -3.878 -12.847 -4.347 1.00 0.00 C ATOM 0 H ALA A 66 -2.467 -13.921 -6.078 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.883 -11.430 -5.950 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -4.328 -12.161 -3.629 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -4.657 -13.457 -4.804 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -3.165 -13.493 -3.834 1.00 0.00 H new ATOM 1068 N LEU A 67 -0.911 -11.657 -4.610 1.00 0.00 N ATOM 1069 CA LEU A 67 0.174 -10.884 -4.018 1.00 0.00 C ATOM 1070 C LEU A 67 0.754 -9.893 -5.022 1.00 0.00 C ATOM 1071 O LEU A 67 1.224 -8.818 -4.650 1.00 0.00 O ATOM 1072 CB LEU A 67 1.269 -11.818 -3.508 1.00 0.00 C ATOM 1073 CG LEU A 67 1.656 -11.623 -2.043 1.00 0.00 C ATOM 1074 CD1 LEU A 67 2.047 -10.177 -1.781 1.00 0.00 C ATOM 1075 CD2 LEU A 67 0.510 -12.042 -1.132 1.00 0.00 C ATOM 0 H LEU A 67 -0.661 -12.615 -4.856 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.232 -10.319 -3.179 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.940 -12.848 -3.647 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.158 -11.681 -4.124 1.00 0.00 H new ATOM 0 HG LEU A 67 2.518 -12.254 -1.826 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.319 -10.058 -0.732 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.897 -9.910 -2.409 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.205 -9.525 -2.014 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.801 -11.897 -0.092 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.369 -11.436 -1.351 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.277 -13.093 -1.301 1.00 0.00 H new ATOM 1087 N GLN A 68 0.718 -10.262 -6.299 1.00 0.00 N ATOM 1088 CA GLN A 68 1.241 -9.408 -7.358 1.00 0.00 C ATOM 1089 C GLN A 68 0.376 -8.164 -7.535 1.00 0.00 C ATOM 1090 O GLN A 68 0.886 -7.074 -7.795 1.00 0.00 O ATOM 1091 CB GLN A 68 1.316 -10.181 -8.675 1.00 0.00 C ATOM 1092 CG GLN A 68 2.614 -10.952 -8.855 1.00 0.00 C ATOM 1093 CD GLN A 68 2.827 -11.409 -10.284 1.00 0.00 C ATOM 1094 OE1 GLN A 68 2.482 -12.533 -10.647 1.00 0.00 O ATOM 1095 NE2 GLN A 68 3.400 -10.537 -11.105 1.00 0.00 N ATOM 0 H GLN A 68 0.331 -11.148 -6.625 1.00 0.00 H new ATOM 0 HA GLN A 68 2.244 -9.092 -7.071 1.00 0.00 H new ATOM 0 HB2 GLN A 68 0.479 -10.878 -8.726 1.00 0.00 H new ATOM 0 HB3 GLN A 68 1.200 -9.483 -9.504 1.00 0.00 H new ATOM 0 HG2 GLN A 68 3.451 -10.324 -8.550 1.00 0.00 H new ATOM 0 HG3 GLN A 68 2.611 -11.820 -8.196 1.00 0.00 H new ATOM 0 HE21 GLN A 68 3.670 -9.615 -10.762 1.00 0.00 H new ATOM 0 HE22 GLN A 68 3.570 -10.789 -12.079 1.00 0.00 H new ATOM 1104 N GLU A 69 -0.936 -8.334 -7.396 1.00 0.00 N ATOM 1105 CA GLU A 69 -1.868 -7.222 -7.544 1.00 0.00 C ATOM 1106 C GLU A 69 -1.818 -6.303 -6.333 1.00 0.00 C ATOM 1107 O GLU A 69 -2.047 -5.100 -6.446 1.00 0.00 O ATOM 1108 CB GLU A 69 -3.292 -7.739 -7.756 1.00 0.00 C ATOM 1109 CG GLU A 69 -4.316 -6.635 -7.961 1.00 0.00 C ATOM 1110 CD GLU A 69 -4.628 -6.394 -9.424 1.00 0.00 C ATOM 1111 OE1 GLU A 69 -4.908 -7.376 -10.142 1.00 0.00 O ATOM 1112 OE2 GLU A 69 -4.592 -5.221 -9.854 1.00 0.00 O ATOM 0 H GLU A 69 -1.376 -9.229 -7.182 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.569 -6.648 -8.421 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.304 -8.400 -8.623 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.584 -8.338 -6.894 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.235 -6.895 -7.435 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.944 -5.712 -7.516 1.00 0.00 H new ATOM 1119 N LEU A 70 -1.502 -6.873 -5.179 1.00 0.00 N ATOM 1120 CA LEU A 70 -1.404 -6.098 -3.951 1.00 0.00 C ATOM 1121 C LEU A 70 -0.491 -4.894 -4.159 1.00 0.00 C ATOM 1122 O LEU A 70 -0.653 -3.855 -3.519 1.00 0.00 O ATOM 1123 CB LEU A 70 -0.875 -6.968 -2.809 1.00 0.00 C ATOM 1124 CG LEU A 70 -1.560 -6.752 -1.459 1.00 0.00 C ATOM 1125 CD1 LEU A 70 -1.573 -8.043 -0.654 1.00 0.00 C ATOM 1126 CD2 LEU A 70 -0.867 -5.644 -0.682 1.00 0.00 C ATOM 0 H LEU A 70 -1.309 -7.868 -5.068 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.400 -5.744 -3.686 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.983 -8.015 -3.091 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.192 -6.778 -2.692 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.592 -6.451 -1.640 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -2.064 -7.870 0.303 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.115 -8.811 -1.206 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -0.549 -8.375 -0.482 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.367 -5.504 0.276 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.175 -5.916 -0.511 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.911 -4.717 -1.253 1.00 0.00 H new ATOM 1138 N ARG A 71 0.473 -5.048 -5.064 1.00 0.00 N ATOM 1139 CA ARG A 71 1.419 -3.979 -5.365 1.00 0.00 C ATOM 1140 C ARG A 71 0.727 -2.822 -6.080 1.00 0.00 C ATOM 1141 O ARG A 71 1.007 -1.655 -5.806 1.00 0.00 O ATOM 1142 CB ARG A 71 2.567 -4.512 -6.224 1.00 0.00 C ATOM 1143 CG ARG A 71 3.919 -3.913 -5.870 1.00 0.00 C ATOM 1144 CD ARG A 71 4.800 -3.762 -7.101 1.00 0.00 C ATOM 1145 NE ARG A 71 6.046 -3.062 -6.799 1.00 0.00 N ATOM 1146 CZ ARG A 71 6.820 -2.494 -7.722 1.00 0.00 C ATOM 1147 NH1 ARG A 71 6.480 -2.544 -9.003 1.00 0.00 N ATOM 1148 NH2 ARG A 71 7.936 -1.878 -7.362 1.00 0.00 N ATOM 0 H ARG A 71 0.619 -5.903 -5.601 1.00 0.00 H new ATOM 0 HA ARG A 71 1.821 -3.609 -4.422 1.00 0.00 H new ATOM 0 HB2 ARG A 71 2.619 -5.595 -6.115 1.00 0.00 H new ATOM 0 HB3 ARG A 71 2.351 -4.307 -7.273 1.00 0.00 H new ATOM 0 HG2 ARG A 71 3.776 -2.939 -5.402 1.00 0.00 H new ATOM 0 HG3 ARG A 71 4.419 -4.548 -5.139 1.00 0.00 H new ATOM 0 HD2 ARG A 71 5.027 -4.748 -7.508 1.00 0.00 H new ATOM 0 HD3 ARG A 71 4.255 -3.217 -7.872 1.00 0.00 H new ATOM 0 HE ARG A 71 6.341 -3.005 -5.824 1.00 0.00 H new ATOM 0 HH11 ARG A 71 5.622 -3.019 -9.285 1.00 0.00 H new ATOM 0 HH12 ARG A 71 7.076 -2.107 -9.706 1.00 0.00 H new ATOM 0 HH21 ARG A 71 8.202 -1.839 -6.378 1.00 0.00 H new ATOM 0 HH22 ARG A 71 8.529 -1.443 -8.069 1.00 0.00 H new ATOM 1162 N GLN A 72 -0.174 -3.155 -6.998 1.00 0.00 N ATOM 1163 CA GLN A 72 -0.903 -2.143 -7.754 1.00 0.00 C ATOM 1164 C GLN A 72 -1.719 -1.250 -6.826 1.00 0.00 C ATOM 1165 O GLN A 72 -1.713 -0.028 -6.961 1.00 0.00 O ATOM 1166 CB GLN A 72 -1.824 -2.810 -8.779 1.00 0.00 C ATOM 1167 CG GLN A 72 -1.078 -3.460 -9.932 1.00 0.00 C ATOM 1168 CD GLN A 72 -1.750 -3.221 -11.271 1.00 0.00 C ATOM 1169 OE1 GLN A 72 -1.142 -2.377 -12.095 1.00 0.00 O flip ATOM 1170 NE2 GLN A 72 -2.804 -3.788 -11.560 1.00 0.00 N flip ATOM 0 H GLN A 72 -0.417 -4.117 -7.236 1.00 0.00 H new ATOM 0 HA GLN A 72 -0.176 -1.522 -8.277 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -2.428 -3.565 -8.276 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -2.512 -2.064 -9.177 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -0.060 -3.072 -9.966 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -1.004 -4.533 -9.753 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -3.237 -4.430 -10.896 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -3.244 -3.616 -12.464 1.00 0.00 H new ATOM 1179 N GLU A 73 -2.422 -1.869 -5.883 1.00 0.00 N ATOM 1180 CA GLU A 73 -3.245 -1.130 -4.932 1.00 0.00 C ATOM 1181 C GLU A 73 -2.396 -0.156 -4.121 1.00 0.00 C ATOM 1182 O GLU A 73 -2.712 1.030 -4.028 1.00 0.00 O ATOM 1183 CB GLU A 73 -3.971 -2.095 -3.994 1.00 0.00 C ATOM 1184 CG GLU A 73 -4.864 -3.090 -4.719 1.00 0.00 C ATOM 1185 CD GLU A 73 -6.177 -2.477 -5.163 1.00 0.00 C ATOM 1186 OE1 GLU A 73 -6.173 -1.298 -5.577 1.00 0.00 O ATOM 1187 OE2 GLU A 73 -7.211 -3.174 -5.097 1.00 0.00 O ATOM 0 H GLU A 73 -2.438 -2.881 -5.757 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.983 -0.559 -5.496 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -3.233 -2.642 -3.407 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -4.576 -1.521 -3.292 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -4.336 -3.480 -5.589 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -5.066 -3.937 -4.063 1.00 0.00 H new ATOM 1194 N LEU A 74 -1.317 -0.666 -3.535 1.00 0.00 N ATOM 1195 CA LEU A 74 -0.422 0.158 -2.731 1.00 0.00 C ATOM 1196 C LEU A 74 0.337 1.151 -3.605 1.00 0.00 C ATOM 1197 O LEU A 74 0.595 2.283 -3.197 1.00 0.00 O ATOM 1198 CB LEU A 74 0.565 -0.723 -1.964 1.00 0.00 C ATOM 1199 CG LEU A 74 -0.077 -1.786 -1.070 1.00 0.00 C ATOM 1200 CD1 LEU A 74 0.965 -2.795 -0.610 1.00 0.00 C ATOM 1201 CD2 LEU A 74 -0.756 -1.136 0.126 1.00 0.00 C ATOM 0 H LEU A 74 -1.042 -1.646 -3.602 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.027 0.718 -2.019 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.219 -1.219 -2.681 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.196 -0.083 -1.347 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.834 -2.314 -1.650 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.491 -3.544 0.025 1.00 0.00 H new ATOM 0 HD12 LEU A 74 1.407 -3.283 -1.479 1.00 0.00 H new ATOM 0 HD13 LEU A 74 1.744 -2.282 -0.046 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.207 -1.906 0.751 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.018 -0.583 0.707 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.530 -0.452 -0.222 1.00 0.00 H new ATOM 1213 N ASN A 75 0.696 0.718 -4.810 1.00 0.00 N ATOM 1214 CA ASN A 75 1.429 1.568 -5.741 1.00 0.00 C ATOM 1215 C ASN A 75 0.634 2.829 -6.068 1.00 0.00 C ATOM 1216 O ASN A 75 1.154 3.942 -5.980 1.00 0.00 O ATOM 1217 CB ASN A 75 1.741 0.801 -7.027 1.00 0.00 C ATOM 1218 CG ASN A 75 2.578 1.614 -7.997 1.00 0.00 C ATOM 1219 OD1 ASN A 75 1.932 2.523 -8.718 1.00 0.00 O flip ATOM 1220 ND2 ASN A 75 3.790 1.427 -8.096 1.00 0.00 N flip ATOM 0 H ASN A 75 0.491 -0.216 -5.164 1.00 0.00 H new ATOM 0 HA ASN A 75 2.365 1.863 -5.265 1.00 0.00 H new ATOM 0 HB2 ASN A 75 2.269 -0.120 -6.779 1.00 0.00 H new ATOM 0 HB3 ASN A 75 0.808 0.512 -7.510 1.00 0.00 H new ATOM 0 HD21 ASN A 75 4.245 0.717 -7.522 1.00 0.00 H new ATOM 0 HD22 ASN A 75 4.340 1.982 -8.752 1.00 0.00 H new ATOM 1227 N THR A 76 -0.627 2.649 -6.445 1.00 0.00 N ATOM 1228 CA THR A 76 -1.491 3.768 -6.785 1.00 0.00 C ATOM 1229 C THR A 76 -1.905 4.543 -5.545 1.00 0.00 C ATOM 1230 O THR A 76 -2.020 5.764 -5.582 1.00 0.00 O ATOM 1231 CB THR A 76 -2.736 3.295 -7.510 1.00 0.00 C ATOM 1232 OG1 THR A 76 -3.159 2.033 -7.024 1.00 0.00 O ATOM 1233 CG2 THR A 76 -2.557 3.181 -9.008 1.00 0.00 C ATOM 0 H THR A 76 -1.073 1.735 -6.522 1.00 0.00 H new ATOM 0 HA THR A 76 -0.918 4.424 -7.441 1.00 0.00 H new ATOM 0 HB THR A 76 -3.486 4.061 -7.312 1.00 0.00 H new ATOM 0 HG1 THR A 76 -2.614 1.327 -7.430 1.00 0.00 H new ATOM 0 HG21 THR A 76 -3.487 2.838 -9.461 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.292 4.156 -9.418 1.00 0.00 H new ATOM 0 HG23 THR A 76 -1.762 2.467 -9.226 1.00 0.00 H new ATOM 1241 N LEU A 77 -2.142 3.832 -4.447 1.00 0.00 N ATOM 1242 CA LEU A 77 -2.555 4.479 -3.205 1.00 0.00 C ATOM 1243 C LEU A 77 -1.615 5.635 -2.891 1.00 0.00 C ATOM 1244 O LEU A 77 -2.009 6.628 -2.279 1.00 0.00 O ATOM 1245 CB LEU A 77 -2.558 3.473 -2.053 1.00 0.00 C ATOM 1246 CG LEU A 77 -3.882 2.736 -1.841 1.00 0.00 C ATOM 1247 CD1 LEU A 77 -3.660 1.456 -1.050 1.00 0.00 C ATOM 1248 CD2 LEU A 77 -4.883 3.635 -1.131 1.00 0.00 C ATOM 0 H LEU A 77 -2.056 2.817 -4.391 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.567 4.864 -3.328 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.774 2.737 -2.232 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.300 3.997 -1.133 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.288 2.470 -2.817 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -4.613 0.946 -0.909 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.977 0.805 -1.595 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -3.231 1.699 -0.078 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.819 3.095 -0.988 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.483 3.930 -0.161 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.065 4.524 -1.734 1.00 0.00 H new ATOM 1260 N ALA A 78 -0.373 5.502 -3.337 1.00 0.00 N ATOM 1261 CA ALA A 78 0.632 6.530 -3.139 1.00 0.00 C ATOM 1262 C ALA A 78 0.352 7.756 -4.012 1.00 0.00 C ATOM 1263 O ALA A 78 0.736 8.871 -3.660 1.00 0.00 O ATOM 1264 CB ALA A 78 2.017 5.977 -3.435 1.00 0.00 C ATOM 0 H ALA A 78 -0.038 4.682 -3.843 1.00 0.00 H new ATOM 0 HA ALA A 78 0.591 6.844 -2.096 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.761 6.759 -3.282 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.226 5.142 -2.766 1.00 0.00 H new ATOM 0 HB3 ALA A 78 2.058 5.633 -4.469 1.00 0.00 H new ATOM 1270 N ASN A 79 -0.303 7.550 -5.163 1.00 0.00 N ATOM 1271 CA ASN A 79 -0.598 8.660 -6.074 1.00 0.00 C ATOM 1272 C ASN A 79 -1.285 9.821 -5.351 1.00 0.00 C ATOM 1273 O ASN A 79 -0.811 10.956 -5.407 1.00 0.00 O ATOM 1274 CB ASN A 79 -1.474 8.184 -7.235 1.00 0.00 C ATOM 1275 CG ASN A 79 -0.660 7.618 -8.383 1.00 0.00 C ATOM 1276 OD1 ASN A 79 -0.859 7.985 -9.541 1.00 0.00 O ATOM 1277 ND2 ASN A 79 0.264 6.717 -8.068 1.00 0.00 N ATOM 0 H ASN A 79 -0.634 6.639 -5.480 1.00 0.00 H new ATOM 0 HA ASN A 79 0.354 9.020 -6.463 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -2.167 7.423 -6.875 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -2.076 9.017 -7.597 1.00 0.00 H new ATOM 0 HD21 ASN A 79 0.841 6.301 -8.799 1.00 0.00 H new ATOM 0 HD22 ASN A 79 0.396 6.441 -7.095 1.00 0.00 H new ATOM 1284 N PRO A 80 -2.411 9.561 -4.662 1.00 0.00 N ATOM 1285 CA PRO A 80 -3.145 10.603 -3.936 1.00 0.00 C ATOM 1286 C PRO A 80 -2.355 11.151 -2.754 1.00 0.00 C ATOM 1287 O PRO A 80 -2.442 12.336 -2.432 1.00 0.00 O ATOM 1288 CB PRO A 80 -4.408 9.885 -3.450 1.00 0.00 C ATOM 1289 CG PRO A 80 -4.043 8.442 -3.423 1.00 0.00 C ATOM 1290 CD PRO A 80 -3.058 8.243 -4.540 1.00 0.00 C ATOM 0 HA PRO A 80 -3.350 11.468 -4.567 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -4.706 10.236 -2.462 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -5.248 10.067 -4.120 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -3.605 8.168 -2.463 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -4.923 7.814 -3.562 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -2.336 7.461 -4.305 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -3.554 7.951 -5.466 1.00 0.00 H new ATOM 1298 N PHE A 81 -1.582 10.282 -2.110 1.00 0.00 N ATOM 1299 CA PHE A 81 -0.775 10.680 -0.963 1.00 0.00 C ATOM 1300 C PHE A 81 0.359 11.605 -1.390 1.00 0.00 C ATOM 1301 O PHE A 81 0.554 12.674 -0.811 1.00 0.00 O ATOM 1302 CB PHE A 81 -0.206 9.446 -0.261 1.00 0.00 C ATOM 1303 CG PHE A 81 0.582 9.768 0.977 1.00 0.00 C ATOM 1304 CD1 PHE A 81 0.083 10.650 1.921 1.00 0.00 C ATOM 1305 CD2 PHE A 81 1.823 9.190 1.194 1.00 0.00 C ATOM 1306 CE1 PHE A 81 0.805 10.949 3.061 1.00 0.00 C ATOM 1307 CE2 PHE A 81 2.551 9.485 2.332 1.00 0.00 C ATOM 1308 CZ PHE A 81 2.041 10.366 3.266 1.00 0.00 C ATOM 0 H PHE A 81 -1.498 9.298 -2.363 1.00 0.00 H new ATOM 0 HA PHE A 81 -1.418 11.221 -0.268 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -1.026 8.779 0.004 1.00 0.00 H new ATOM 0 HB3 PHE A 81 0.433 8.904 -0.958 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -0.882 11.110 1.764 1.00 0.00 H new ATOM 0 HD2 PHE A 81 2.226 8.501 0.466 1.00 0.00 H new ATOM 0 HE1 PHE A 81 0.404 11.637 3.790 1.00 0.00 H new ATOM 0 HE2 PHE A 81 3.516 9.028 2.490 1.00 0.00 H new ATOM 0 HZ PHE A 81 2.608 10.599 4.155 1.00 0.00 H new ATOM 1318 N LEU A 82 1.106 11.186 -2.406 1.00 0.00 N ATOM 1319 CA LEU A 82 2.223 11.978 -2.912 1.00 0.00 C ATOM 1320 C LEU A 82 1.722 13.203 -3.669 1.00 0.00 C ATOM 1321 O LEU A 82 2.350 14.262 -3.640 1.00 0.00 O ATOM 1322 CB LEU A 82 3.107 11.126 -3.824 1.00 0.00 C ATOM 1323 CG LEU A 82 4.177 10.302 -3.104 1.00 0.00 C ATOM 1324 CD1 LEU A 82 4.621 9.133 -3.970 1.00 0.00 C ATOM 1325 CD2 LEU A 82 5.364 11.178 -2.738 1.00 0.00 C ATOM 0 H LEU A 82 0.959 10.303 -2.895 1.00 0.00 H new ATOM 0 HA LEU A 82 2.812 12.316 -2.060 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.470 10.448 -4.392 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.598 11.781 -4.544 1.00 0.00 H new ATOM 0 HG LEU A 82 3.747 9.904 -2.185 1.00 0.00 H new ATOM 0 HD11 LEU A 82 5.382 8.558 -3.443 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.765 8.493 -4.183 1.00 0.00 H new ATOM 0 HD13 LEU A 82 5.034 9.510 -4.906 1.00 0.00 H new ATOM 0 HD21 LEU A 82 6.116 10.577 -2.227 1.00 0.00 H new ATOM 0 HD22 LEU A 82 5.795 11.604 -3.644 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.034 11.982 -2.080 1.00 0.00 H new ATOM 1337 N ALA A 83 0.588 13.052 -4.345 1.00 0.00 N ATOM 1338 CA ALA A 83 0.004 14.147 -5.110 1.00 0.00 C ATOM 1339 C ALA A 83 -0.325 15.333 -4.209 1.00 0.00 C ATOM 1340 O ALA A 83 -0.057 16.483 -4.557 1.00 0.00 O ATOM 1341 CB ALA A 83 -1.244 13.674 -5.839 1.00 0.00 C ATOM 0 H ALA A 83 0.056 12.183 -4.379 1.00 0.00 H new ATOM 0 HA ALA A 83 0.739 14.476 -5.845 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.670 14.502 -6.406 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.983 12.864 -6.520 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.975 13.317 -5.114 1.00 0.00 H new ATOM 1347 N LYS A 84 -0.907 15.044 -3.049 1.00 0.00 N ATOM 1348 CA LYS A 84 -1.273 16.087 -2.098 1.00 0.00 C ATOM 1349 C LYS A 84 -0.031 16.705 -1.463 1.00 0.00 C ATOM 1350 O LYS A 84 0.103 17.927 -1.399 1.00 0.00 O ATOM 1351 CB LYS A 84 -2.185 15.516 -1.010 1.00 0.00 C ATOM 1352 CG LYS A 84 -3.663 15.597 -1.352 1.00 0.00 C ATOM 1353 CD LYS A 84 -4.532 15.452 -0.113 1.00 0.00 C ATOM 1354 CE LYS A 84 -5.754 16.353 -0.180 1.00 0.00 C ATOM 1355 NZ LYS A 84 -6.938 15.643 -0.738 1.00 0.00 N ATOM 0 H LYS A 84 -1.135 14.097 -2.746 1.00 0.00 H new ATOM 0 HA LYS A 84 -1.808 16.867 -2.640 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -1.918 14.474 -0.833 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -2.006 16.053 -0.079 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -3.874 16.551 -1.835 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -3.915 14.814 -2.068 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -4.849 14.414 -0.009 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -3.947 15.696 0.774 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -5.989 16.721 0.819 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -5.530 17.224 -0.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -7.750 16.292 -0.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -6.723 15.314 -1.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -7.169 14.827 -0.136 1.00 0.00 H new ATOM 1369 N TYR A 85 0.876 15.853 -0.995 1.00 0.00 N ATOM 1370 CA TYR A 85 2.108 16.315 -0.367 1.00 0.00 C ATOM 1371 C TYR A 85 2.929 17.159 -1.337 1.00 0.00 C ATOM 1372 O TYR A 85 3.554 18.143 -0.943 1.00 0.00 O ATOM 1373 CB TYR A 85 2.934 15.123 0.122 1.00 0.00 C ATOM 1374 CG TYR A 85 2.783 14.846 1.600 1.00 0.00 C ATOM 1375 CD1 TYR A 85 1.604 14.318 2.110 1.00 0.00 C ATOM 1376 CD2 TYR A 85 3.820 15.112 2.486 1.00 0.00 C ATOM 1377 CE1 TYR A 85 1.462 14.063 3.461 1.00 0.00 C ATOM 1378 CE2 TYR A 85 3.685 14.859 3.838 1.00 0.00 C ATOM 1379 CZ TYR A 85 2.506 14.336 4.321 1.00 0.00 C ATOM 1380 OH TYR A 85 2.368 14.083 5.666 1.00 0.00 O ATOM 0 H TYR A 85 0.780 14.838 -1.039 1.00 0.00 H new ATOM 0 HA TYR A 85 1.841 16.936 0.488 1.00 0.00 H new ATOM 0 HB2 TYR A 85 2.640 14.235 -0.437 1.00 0.00 H new ATOM 0 HB3 TYR A 85 3.986 15.306 -0.099 1.00 0.00 H new ATOM 0 HD1 TYR A 85 0.785 14.103 1.440 1.00 0.00 H new ATOM 0 HD2 TYR A 85 4.746 15.523 2.112 1.00 0.00 H new ATOM 0 HE1 TYR A 85 0.539 13.652 3.842 1.00 0.00 H new ATOM 0 HE2 TYR A 85 4.501 15.071 4.513 1.00 0.00 H new ATOM 0 HH TYR A 85 2.549 13.136 5.841 1.00 0.00 H new ATOM 1390 N ARG A 86 2.925 16.766 -2.606 1.00 0.00 N ATOM 1391 CA ARG A 86 3.672 17.485 -3.632 1.00 0.00 C ATOM 1392 C ARG A 86 3.185 18.926 -3.750 1.00 0.00 C ATOM 1393 O ARG A 86 3.981 19.865 -3.723 1.00 0.00 O ATOM 1394 CB ARG A 86 3.536 16.777 -4.981 1.00 0.00 C ATOM 1395 CG ARG A 86 4.596 15.714 -5.220 1.00 0.00 C ATOM 1396 CD ARG A 86 5.878 16.318 -5.769 1.00 0.00 C ATOM 1397 NE ARG A 86 6.849 15.294 -6.144 1.00 0.00 N ATOM 1398 CZ ARG A 86 6.715 14.498 -7.202 1.00 0.00 C ATOM 1399 NH1 ARG A 86 5.653 14.604 -7.990 1.00 0.00 N ATOM 1400 NH2 ARG A 86 7.646 13.593 -7.473 1.00 0.00 N ATOM 0 H ARG A 86 2.413 15.953 -2.949 1.00 0.00 H new ATOM 0 HA ARG A 86 4.722 17.498 -3.340 1.00 0.00 H new ATOM 0 HB2 ARG A 86 2.550 16.316 -5.042 1.00 0.00 H new ATOM 0 HB3 ARG A 86 3.591 17.518 -5.778 1.00 0.00 H new ATOM 0 HG2 ARG A 86 4.809 15.194 -4.286 1.00 0.00 H new ATOM 0 HG3 ARG A 86 4.215 14.970 -5.919 1.00 0.00 H new ATOM 0 HD2 ARG A 86 5.646 16.933 -6.639 1.00 0.00 H new ATOM 0 HD3 ARG A 86 6.317 16.977 -5.021 1.00 0.00 H new ATOM 0 HE ARG A 86 7.678 15.182 -5.561 1.00 0.00 H new ATOM 0 HH11 ARG A 86 4.934 15.298 -7.786 1.00 0.00 H new ATOM 0 HH12 ARG A 86 5.555 13.991 -8.800 1.00 0.00 H new ATOM 0 HH21 ARG A 86 8.465 13.507 -6.870 1.00 0.00 H new ATOM 0 HH22 ARG A 86 7.543 12.983 -8.284 1.00 0.00 H new ATOM 1414 N ASP A 87 1.873 19.093 -3.880 1.00 0.00 N ATOM 1415 CA ASP A 87 1.280 20.421 -4.002 1.00 0.00 C ATOM 1416 C ASP A 87 1.329 21.164 -2.670 1.00 0.00 C ATOM 1417 O ASP A 87 1.438 22.390 -2.637 1.00 0.00 O ATOM 1418 CB ASP A 87 -0.166 20.313 -4.486 1.00 0.00 C ATOM 1419 CG ASP A 87 -0.274 20.355 -5.998 1.00 0.00 C ATOM 1420 OD1 ASP A 87 0.360 19.509 -6.662 1.00 0.00 O ATOM 1421 OD2 ASP A 87 -0.993 21.234 -6.517 1.00 0.00 O ATOM 0 H ASP A 87 1.200 18.327 -3.904 1.00 0.00 H new ATOM 0 HA ASP A 87 1.860 20.985 -4.733 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -0.601 19.383 -4.119 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -0.751 21.128 -4.060 1.00 0.00 H new ATOM 1426 N PHE A 88 1.246 20.415 -1.577 1.00 0.00 N ATOM 1427 CA PHE A 88 1.279 21.005 -0.242 1.00 0.00 C ATOM 1428 C PHE A 88 2.681 21.497 0.101 1.00 0.00 C ATOM 1429 O PHE A 88 2.859 22.629 0.550 1.00 0.00 O ATOM 1430 CB PHE A 88 0.814 19.986 0.800 1.00 0.00 C ATOM 1431 CG PHE A 88 0.188 20.612 2.012 1.00 0.00 C ATOM 1432 CD1 PHE A 88 0.943 21.389 2.875 1.00 0.00 C ATOM 1433 CD2 PHE A 88 -1.157 20.423 2.289 1.00 0.00 C ATOM 1434 CE1 PHE A 88 0.369 21.967 3.992 1.00 0.00 C ATOM 1435 CE2 PHE A 88 -1.737 20.998 3.404 1.00 0.00 C ATOM 1436 CZ PHE A 88 -0.972 21.771 4.257 1.00 0.00 C ATOM 0 H PHE A 88 1.155 19.399 -1.587 1.00 0.00 H new ATOM 0 HA PHE A 88 0.602 21.859 -0.232 1.00 0.00 H new ATOM 0 HB2 PHE A 88 0.095 19.309 0.339 1.00 0.00 H new ATOM 0 HB3 PHE A 88 1.666 19.382 1.112 1.00 0.00 H new ATOM 0 HD1 PHE A 88 1.992 21.545 2.673 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -1.759 19.819 1.626 1.00 0.00 H new ATOM 0 HE1 PHE A 88 0.969 22.571 4.657 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -2.786 20.844 3.608 1.00 0.00 H new ATOM 0 HZ PHE A 88 -1.422 22.221 5.129 1.00 0.00 H new ATOM 1446 N LEU A 89 3.673 20.639 -0.111 1.00 0.00 N ATOM 1447 CA LEU A 89 5.060 20.987 0.178 1.00 0.00 C ATOM 1448 C LEU A 89 5.785 21.431 -1.088 1.00 0.00 C ATOM 1449 O LEU A 89 6.173 22.592 -1.219 1.00 0.00 O ATOM 1450 CB LEU A 89 5.786 19.796 0.807 1.00 0.00 C ATOM 1451 CG LEU A 89 4.976 19.019 1.845 1.00 0.00 C ATOM 1452 CD1 LEU A 89 5.778 17.839 2.373 1.00 0.00 C ATOM 1453 CD2 LEU A 89 4.556 19.933 2.986 1.00 0.00 C ATOM 0 H LEU A 89 3.543 19.698 -0.482 1.00 0.00 H new ATOM 0 HA LEU A 89 5.061 21.817 0.884 1.00 0.00 H new ATOM 0 HB2 LEU A 89 6.083 19.111 0.013 1.00 0.00 H new ATOM 0 HB3 LEU A 89 6.701 20.155 1.277 1.00 0.00 H new ATOM 0 HG LEU A 89 4.077 18.635 1.363 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.186 17.298 3.111 1.00 0.00 H new ATOM 0 HD12 LEU A 89 6.029 17.172 1.549 1.00 0.00 H new ATOM 0 HD13 LEU A 89 6.695 18.201 2.839 1.00 0.00 H new ATOM 0 HD21 LEU A 89 3.980 19.363 3.716 1.00 0.00 H new ATOM 0 HD22 LEU A 89 5.443 20.346 3.466 1.00 0.00 H new ATOM 0 HD23 LEU A 89 3.943 20.745 2.595 1.00 0.00 H new ATOM 1465 N LYS A 90 5.966 20.498 -2.019 1.00 0.00 N ATOM 1466 CA LYS A 90 6.645 20.794 -3.275 1.00 0.00 C ATOM 1467 C LYS A 90 6.670 19.568 -4.182 1.00 0.00 C ATOM 1468 O LYS A 90 6.061 19.625 -5.270 1.00 0.00 O ATOM 1469 CB LYS A 90 8.073 21.274 -3.007 1.00 0.00 C ATOM 1470 CG LYS A 90 8.589 22.258 -4.043 1.00 0.00 C ATOM 1471 CD LYS A 90 10.107 22.248 -4.115 1.00 0.00 C ATOM 1472 CE LYS A 90 10.612 21.183 -5.075 1.00 0.00 C ATOM 1473 NZ LYS A 90 10.940 21.751 -6.412 1.00 0.00 N ATOM 1474 OXT LYS A 90 7.300 18.561 -3.796 1.00 1.00 O ATOM 0 H LYS A 90 5.652 19.532 -1.927 1.00 0.00 H new ATOM 0 HA LYS A 90 6.092 21.586 -3.780 1.00 0.00 H new ATOM 0 HB2 LYS A 90 8.111 21.742 -2.023 1.00 0.00 H new ATOM 0 HB3 LYS A 90 8.738 20.411 -2.976 1.00 0.00 H new ATOM 0 HG2 LYS A 90 8.176 22.009 -5.020 1.00 0.00 H new ATOM 0 HG3 LYS A 90 8.242 23.262 -3.797 1.00 0.00 H new ATOM 0 HD2 LYS A 90 10.464 23.227 -4.436 1.00 0.00 H new ATOM 0 HD3 LYS A 90 10.518 22.069 -3.122 1.00 0.00 H new ATOM 0 HE2 LYS A 90 11.498 20.707 -4.655 1.00 0.00 H new ATOM 0 HE3 LYS A 90 9.855 20.406 -5.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 11.281 20.993 -7.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 10.088 22.183 -6.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 11.680 22.474 -6.310 1.00 0.00 H new