USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 571 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 28 SER OG : rot 180:sc= -0.103 USER MOD Set 1.2: A 62 GLN : amide:sc= 0 X(o=-0.1,f=-0.1) USER MOD Set 2.1: A 29 SER OG : rot 180:sc= -0.128 USER MOD Set 2.2: A 52 MET CE :methyl -149:sc= -3.12! (180deg=-5.29!) USER MOD Set 3.1: A 2 SER OG : rot 59:sc= 1.19 USER MOD Set 3.2: A 3 ASN : amide:sc= -1.2! C(o=-0.011!,f=-10!) USER MOD Single : A 1 SER N :NH3+ -132:sc= 0.0701 (180deg=0) USER MOD Single : A 1 SER OG : rot -120:sc= -0.344 USER MOD Single : A 5 THR OG1 : rot -48:sc= -0.154 USER MOD Single : A 8 GLN : amide:sc= -4.68! C(o=-4.7!,f=-7.6!) USER MOD Single : A 13 LYS NZ :NH3+ 171:sc= 0.0629 (180deg=0.0179) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.153 X(o=-0.15,f=0) USER MOD Single : A 24 ASN : amide:sc= -10! C(o=-10!,f=-8.5!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 62:sc= -0.543 USER MOD Single : A 36 MET CE :methyl -177:sc= 0 (180deg=-0.021) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot -54:sc= 0.026 USER MOD Single : A 44 SER OG : rot 180:sc= -1.26! USER MOD Single : A 49 ASN : amide:sc= -1.26 K(o=-1.3,f=-0.28) USER MOD Single : A 53 ASN : amide:sc= -0.544 K(o=-0.54,f=-1.3!) USER MOD Single : A 60 ASN : amide:sc= -2.25! C(o=-2.2!,f=-7.4!) USER MOD Single : A 61 HIS : no HD1:sc= -1.77! C(o=-1.8!,f=-3.8!) USER MOD Single : A 66 SER OG : rot 180:sc= 0.146 USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0.191 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -11.284 -0.085 -24.874 1.00 0.00 N ATOM 2 CA SER A 1 -11.875 -1.176 -24.047 1.00 0.00 C ATOM 3 C SER A 1 -13.393 -1.228 -24.245 1.00 0.00 C ATOM 4 O SER A 1 -13.918 -0.731 -25.221 1.00 0.00 O ATOM 5 CB SER A 1 -11.535 -0.807 -22.604 1.00 0.00 C ATOM 6 OG SER A 1 -12.400 0.234 -22.170 1.00 0.00 O ATOM 0 H1 SER A 1 -10.461 -0.451 -25.395 1.00 0.00 H new ATOM 0 H2 SER A 1 -11.995 0.263 -25.549 1.00 0.00 H new ATOM 0 H3 SER A 1 -10.983 0.695 -24.256 1.00 0.00 H new ATOM 0 HA SER A 1 -11.486 -2.157 -24.319 1.00 0.00 H new ATOM 0 HB2 SER A 1 -11.643 -1.678 -21.958 1.00 0.00 H new ATOM 0 HB3 SER A 1 -10.496 -0.485 -22.534 1.00 0.00 H new ATOM 0 HG SER A 1 -11.868 1.018 -21.918 1.00 0.00 H new ATOM 14 N SER A 2 -14.101 -1.825 -23.326 1.00 0.00 N ATOM 15 CA SER A 2 -15.584 -1.907 -23.463 1.00 0.00 C ATOM 16 C SER A 2 -16.236 -2.022 -22.083 1.00 0.00 C ATOM 17 O SER A 2 -16.001 -2.963 -21.351 1.00 0.00 O ATOM 18 CB SER A 2 -15.835 -3.172 -24.281 1.00 0.00 C ATOM 19 OG SER A 2 -16.941 -3.877 -23.730 1.00 0.00 O ATOM 0 H SER A 2 -13.718 -2.259 -22.487 1.00 0.00 H new ATOM 0 HA SER A 2 -16.005 -1.022 -23.940 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.036 -2.913 -25.320 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.947 -3.804 -24.276 1.00 0.00 H new ATOM 0 HG SER A 2 -17.735 -3.303 -23.745 1.00 0.00 H new ATOM 25 N ASN A 3 -17.054 -1.071 -21.723 1.00 0.00 N ATOM 26 CA ASN A 3 -17.721 -1.127 -20.391 1.00 0.00 C ATOM 27 C ASN A 3 -16.673 -1.203 -19.277 1.00 0.00 C ATOM 28 O ASN A 3 -16.200 -2.266 -18.928 1.00 0.00 O ATOM 29 CB ASN A 3 -18.565 -2.402 -20.422 1.00 0.00 C ATOM 30 CG ASN A 3 -19.406 -2.428 -21.699 1.00 0.00 C ATOM 31 OD1 ASN A 3 -18.877 -2.352 -22.790 1.00 0.00 O ATOM 32 ND2 ASN A 3 -20.704 -2.530 -21.608 1.00 0.00 N ATOM 0 H ASN A 3 -17.289 -0.258 -22.293 1.00 0.00 H new ATOM 0 HA ASN A 3 -18.327 -0.243 -20.196 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -17.919 -3.279 -20.382 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -19.213 -2.443 -19.547 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -21.275 -2.546 -22.453 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -21.148 -2.594 -20.692 1.00 0.00 H new ATOM 39 N LEU A 4 -16.306 -0.083 -18.717 1.00 0.00 N ATOM 40 CA LEU A 4 -15.289 -0.093 -17.627 1.00 0.00 C ATOM 41 C LEU A 4 -15.954 -0.451 -16.291 1.00 0.00 C ATOM 42 O LEU A 4 -16.311 -1.588 -16.059 1.00 0.00 O ATOM 43 CB LEU A 4 -14.725 1.330 -17.603 1.00 0.00 C ATOM 44 CG LEU A 4 -13.844 1.553 -18.834 1.00 0.00 C ATOM 45 CD1 LEU A 4 -12.828 0.414 -18.950 1.00 0.00 C ATOM 46 CD2 LEU A 4 -14.719 1.582 -20.089 1.00 0.00 C ATOM 0 H LEU A 4 -16.666 0.838 -18.967 1.00 0.00 H new ATOM 0 HA LEU A 4 -14.504 -0.832 -17.790 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -15.539 2.055 -17.590 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -14.144 1.487 -16.694 1.00 0.00 H new ATOM 0 HG LEU A 4 -13.317 2.502 -18.734 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -12.201 0.574 -19.827 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -12.204 0.391 -18.057 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -13.355 -0.535 -19.049 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -14.092 1.741 -20.966 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -15.246 0.633 -20.187 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -15.443 2.393 -20.009 1.00 0.00 H new ATOM 58 N THR A 5 -16.129 0.501 -15.413 1.00 0.00 N ATOM 59 CA THR A 5 -16.779 0.195 -14.104 1.00 0.00 C ATOM 60 C THR A 5 -16.089 -0.999 -13.438 1.00 0.00 C ATOM 61 O THR A 5 -14.896 -1.189 -13.566 1.00 0.00 O ATOM 62 CB THR A 5 -18.233 -0.151 -14.444 1.00 0.00 C ATOM 63 OG1 THR A 5 -18.311 -1.508 -14.859 1.00 0.00 O ATOM 64 CG2 THR A 5 -18.739 0.758 -15.569 1.00 0.00 C ATOM 0 H THR A 5 -15.851 1.474 -15.544 1.00 0.00 H new ATOM 0 HA THR A 5 -16.713 1.033 -13.410 1.00 0.00 H new ATOM 0 HB THR A 5 -18.852 -0.002 -13.560 1.00 0.00 H new ATOM 0 HG1 THR A 5 -17.614 -1.687 -15.524 1.00 0.00 H new ATOM 0 HG21 THR A 5 -19.773 0.505 -15.804 1.00 0.00 H new ATOM 0 HG22 THR A 5 -18.684 1.798 -15.249 1.00 0.00 H new ATOM 0 HG23 THR A 5 -18.121 0.618 -16.456 1.00 0.00 H new ATOM 72 N GLU A 6 -16.832 -1.804 -12.728 1.00 0.00 N ATOM 73 CA GLU A 6 -16.223 -2.987 -12.053 1.00 0.00 C ATOM 74 C GLU A 6 -15.212 -3.663 -12.982 1.00 0.00 C ATOM 75 O GLU A 6 -14.181 -4.141 -12.554 1.00 0.00 O ATOM 76 CB GLU A 6 -17.398 -3.920 -11.762 1.00 0.00 C ATOM 77 CG GLU A 6 -17.847 -4.604 -13.056 1.00 0.00 C ATOM 78 CD GLU A 6 -18.954 -5.613 -12.743 1.00 0.00 C ATOM 79 OE1 GLU A 6 -18.626 -6.718 -12.347 1.00 0.00 O ATOM 80 OE2 GLU A 6 -20.111 -5.260 -12.905 1.00 0.00 O ATOM 0 H GLU A 6 -17.836 -1.694 -12.586 1.00 0.00 H new ATOM 0 HA GLU A 6 -15.684 -2.716 -11.145 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -17.106 -4.669 -11.026 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -18.225 -3.355 -11.332 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -18.208 -3.860 -13.766 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -17.002 -5.109 -13.525 1.00 0.00 H new ATOM 87 N GLU A 7 -15.500 -3.698 -14.252 1.00 0.00 N ATOM 88 CA GLU A 7 -14.557 -4.336 -15.214 1.00 0.00 C ATOM 89 C GLU A 7 -13.222 -3.593 -15.187 1.00 0.00 C ATOM 90 O GLU A 7 -12.169 -4.187 -15.057 1.00 0.00 O ATOM 91 CB GLU A 7 -15.225 -4.195 -16.581 1.00 0.00 C ATOM 92 CG GLU A 7 -15.480 -5.584 -17.171 1.00 0.00 C ATOM 93 CD GLU A 7 -16.830 -6.108 -16.678 1.00 0.00 C ATOM 94 OE1 GLU A 7 -16.904 -6.509 -15.529 1.00 0.00 O ATOM 95 OE2 GLU A 7 -17.767 -6.100 -17.460 1.00 0.00 O ATOM 0 H GLU A 7 -16.348 -3.312 -14.667 1.00 0.00 H new ATOM 0 HA GLU A 7 -14.354 -5.380 -14.974 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -16.165 -3.651 -16.484 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -14.589 -3.615 -17.250 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -15.473 -5.535 -18.260 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -14.683 -6.267 -16.877 1.00 0.00 H new ATOM 102 N GLN A 8 -13.258 -2.292 -15.292 1.00 0.00 N ATOM 103 CA GLN A 8 -11.990 -1.513 -15.257 1.00 0.00 C ATOM 104 C GLN A 8 -11.409 -1.568 -13.842 1.00 0.00 C ATOM 105 O GLN A 8 -10.232 -1.795 -13.648 1.00 0.00 O ATOM 106 CB GLN A 8 -12.385 -0.082 -15.662 1.00 0.00 C ATOM 107 CG GLN A 8 -12.688 0.772 -14.424 1.00 0.00 C ATOM 108 CD GLN A 8 -12.929 2.221 -14.849 1.00 0.00 C ATOM 109 OE1 GLN A 8 -12.145 2.790 -15.583 1.00 0.00 O ATOM 110 NE2 GLN A 8 -13.989 2.848 -14.417 1.00 0.00 N ATOM 0 H GLN A 8 -14.108 -1.738 -15.400 1.00 0.00 H new ATOM 0 HA GLN A 8 -11.224 -1.903 -15.927 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -11.578 0.374 -16.235 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -13.260 -0.112 -16.312 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -13.565 0.383 -13.907 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -11.856 0.722 -13.722 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -14.648 2.372 -13.801 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -14.159 3.814 -14.695 1.00 0.00 H new ATOM 119 N ILE A 9 -12.237 -1.374 -12.853 1.00 0.00 N ATOM 120 CA ILE A 9 -11.751 -1.426 -11.448 1.00 0.00 C ATOM 121 C ILE A 9 -11.059 -2.763 -11.194 1.00 0.00 C ATOM 122 O ILE A 9 -9.878 -2.817 -10.921 1.00 0.00 O ATOM 123 CB ILE A 9 -13.007 -1.310 -10.589 1.00 0.00 C ATOM 124 CG1 ILE A 9 -13.711 0.016 -10.886 1.00 0.00 C ATOM 125 CG2 ILE A 9 -12.617 -1.364 -9.112 1.00 0.00 C ATOM 126 CD1 ILE A 9 -15.192 -0.105 -10.527 1.00 0.00 C ATOM 0 H ILE A 9 -13.233 -1.181 -12.959 1.00 0.00 H new ATOM 0 HA ILE A 9 -11.032 -0.637 -11.226 1.00 0.00 H new ATOM 0 HB ILE A 9 -13.682 -2.135 -10.818 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -13.251 0.821 -10.313 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -13.600 0.271 -11.940 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -13.512 -1.281 -8.496 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -12.118 -2.310 -8.902 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -11.942 -0.539 -8.884 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -15.696 0.838 -10.738 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -15.646 -0.899 -11.119 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -15.291 -0.341 -9.467 1.00 0.00 H new ATOM 138 N ALA A 10 -11.786 -3.843 -11.285 1.00 0.00 N ATOM 139 CA ALA A 10 -11.162 -5.178 -11.052 1.00 0.00 C ATOM 140 C ALA A 10 -9.802 -5.244 -11.750 1.00 0.00 C ATOM 141 O ALA A 10 -8.815 -5.660 -11.175 1.00 0.00 O ATOM 142 CB ALA A 10 -12.134 -6.184 -11.668 1.00 0.00 C ATOM 0 H ALA A 10 -12.781 -3.860 -11.510 1.00 0.00 H new ATOM 0 HA ALA A 10 -10.990 -5.379 -9.995 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -11.744 -7.194 -11.537 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -13.103 -6.102 -11.175 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -12.249 -5.975 -12.732 1.00 0.00 H new ATOM 148 N GLU A 11 -9.743 -4.823 -12.983 1.00 0.00 N ATOM 149 CA GLU A 11 -8.446 -4.849 -13.715 1.00 0.00 C ATOM 150 C GLU A 11 -7.440 -3.941 -13.008 1.00 0.00 C ATOM 151 O GLU A 11 -6.311 -4.318 -12.759 1.00 0.00 O ATOM 152 CB GLU A 11 -8.766 -4.316 -15.112 1.00 0.00 C ATOM 153 CG GLU A 11 -7.802 -4.933 -16.128 1.00 0.00 C ATOM 154 CD GLU A 11 -6.846 -3.857 -16.645 1.00 0.00 C ATOM 155 OE1 GLU A 11 -7.277 -2.724 -16.778 1.00 0.00 O ATOM 156 OE2 GLU A 11 -5.698 -4.184 -16.900 1.00 0.00 O ATOM 0 H GLU A 11 -10.535 -4.463 -13.515 1.00 0.00 H new ATOM 0 HA GLU A 11 -8.008 -5.846 -13.757 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -9.795 -4.558 -15.378 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -8.680 -3.230 -15.127 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.238 -5.743 -15.665 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -8.360 -5.367 -16.957 1.00 0.00 H new ATOM 163 N PHE A 12 -7.847 -2.748 -12.672 1.00 0.00 N ATOM 164 CA PHE A 12 -6.921 -1.815 -11.970 1.00 0.00 C ATOM 165 C PHE A 12 -6.468 -2.439 -10.649 1.00 0.00 C ATOM 166 O PHE A 12 -5.291 -2.503 -10.355 1.00 0.00 O ATOM 167 CB PHE A 12 -7.747 -0.553 -11.721 1.00 0.00 C ATOM 168 CG PHE A 12 -8.005 0.145 -13.036 1.00 0.00 C ATOM 169 CD1 PHE A 12 -6.951 0.358 -13.931 1.00 0.00 C ATOM 170 CD2 PHE A 12 -9.297 0.581 -13.359 1.00 0.00 C ATOM 171 CE1 PHE A 12 -7.187 1.005 -15.150 1.00 0.00 C ATOM 172 CE2 PHE A 12 -9.531 1.228 -14.578 1.00 0.00 C ATOM 173 CZ PHE A 12 -8.477 1.441 -15.473 1.00 0.00 C ATOM 0 H PHE A 12 -8.780 -2.379 -12.853 1.00 0.00 H new ATOM 0 HA PHE A 12 -6.022 -1.598 -12.547 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -8.692 -0.812 -11.242 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -7.217 0.114 -11.041 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -5.955 0.023 -13.682 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -10.111 0.418 -12.668 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -6.373 1.168 -15.841 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -10.527 1.563 -14.828 1.00 0.00 H new ATOM 0 HZ PHE A 12 -8.659 1.942 -16.413 1.00 0.00 H new ATOM 183 N LYS A 13 -7.395 -2.907 -9.856 1.00 0.00 N ATOM 184 CA LYS A 13 -7.020 -3.538 -8.558 1.00 0.00 C ATOM 185 C LYS A 13 -5.799 -4.434 -8.758 1.00 0.00 C ATOM 186 O LYS A 13 -4.786 -4.272 -8.109 1.00 0.00 O ATOM 187 CB LYS A 13 -8.238 -4.371 -8.154 1.00 0.00 C ATOM 188 CG LYS A 13 -9.156 -3.534 -7.261 1.00 0.00 C ATOM 189 CD LYS A 13 -9.813 -4.436 -6.216 1.00 0.00 C ATOM 190 CE LYS A 13 -9.835 -3.720 -4.863 1.00 0.00 C ATOM 191 NZ LYS A 13 -11.221 -3.193 -4.730 1.00 0.00 N ATOM 0 H LYS A 13 -8.396 -2.879 -10.051 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.763 -2.804 -7.794 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -8.778 -4.699 -9.042 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -7.918 -5.269 -7.625 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -8.584 -2.747 -6.769 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -9.919 -3.043 -7.865 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -10.828 -4.686 -6.523 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -9.264 -5.374 -6.134 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -9.593 -4.405 -4.050 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -9.101 -2.914 -4.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -11.361 -2.823 -3.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -11.370 -2.429 -5.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -11.902 -3.958 -4.909 1.00 0.00 H new ATOM 205 N GLU A 14 -5.879 -5.366 -9.668 1.00 0.00 N ATOM 206 CA GLU A 14 -4.708 -6.250 -9.918 1.00 0.00 C ATOM 207 C GLU A 14 -3.472 -5.386 -10.171 1.00 0.00 C ATOM 208 O GLU A 14 -2.397 -5.654 -9.670 1.00 0.00 O ATOM 209 CB GLU A 14 -5.071 -7.055 -11.167 1.00 0.00 C ATOM 210 CG GLU A 14 -5.807 -8.332 -10.757 1.00 0.00 C ATOM 211 CD GLU A 14 -5.224 -9.523 -11.519 1.00 0.00 C ATOM 212 OE1 GLU A 14 -5.702 -9.796 -12.608 1.00 0.00 O ATOM 213 OE2 GLU A 14 -4.311 -10.144 -11.000 1.00 0.00 O ATOM 0 H GLU A 14 -6.699 -5.552 -10.245 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.485 -6.905 -9.076 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -5.699 -6.457 -11.828 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.169 -7.306 -11.725 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.711 -8.491 -9.683 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.871 -8.236 -10.971 1.00 0.00 H new ATOM 220 N ALA A 15 -3.625 -4.338 -10.936 1.00 0.00 N ATOM 221 CA ALA A 15 -2.466 -3.443 -11.214 1.00 0.00 C ATOM 222 C ALA A 15 -2.047 -2.728 -9.929 1.00 0.00 C ATOM 223 O ALA A 15 -0.884 -2.697 -9.577 1.00 0.00 O ATOM 224 CB ALA A 15 -2.978 -2.438 -12.246 1.00 0.00 C ATOM 0 H ALA A 15 -4.502 -4.064 -11.380 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.595 -3.988 -11.579 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -2.180 -1.742 -12.503 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.299 -2.969 -13.142 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -3.821 -1.886 -11.829 1.00 0.00 H new ATOM 230 N PHE A 16 -2.984 -2.158 -9.219 1.00 0.00 N ATOM 231 CA PHE A 16 -2.629 -1.454 -7.955 1.00 0.00 C ATOM 232 C PHE A 16 -1.676 -2.324 -7.137 1.00 0.00 C ATOM 233 O PHE A 16 -0.531 -1.977 -6.923 1.00 0.00 O ATOM 234 CB PHE A 16 -3.950 -1.267 -7.206 1.00 0.00 C ATOM 235 CG PHE A 16 -3.657 -0.804 -5.798 1.00 0.00 C ATOM 236 CD1 PHE A 16 -3.340 0.538 -5.553 1.00 0.00 C ATOM 237 CD2 PHE A 16 -3.697 -1.718 -4.738 1.00 0.00 C ATOM 238 CE1 PHE A 16 -3.064 0.966 -4.248 1.00 0.00 C ATOM 239 CE2 PHE A 16 -3.421 -1.290 -3.434 1.00 0.00 C ATOM 240 CZ PHE A 16 -3.104 0.052 -3.189 1.00 0.00 C ATOM 0 H PHE A 16 -3.975 -2.150 -9.459 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.134 -0.500 -8.138 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.574 -0.536 -7.720 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.507 -2.204 -7.186 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -3.308 1.243 -6.370 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -3.941 -2.753 -4.926 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -2.820 2.001 -4.059 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.453 -1.995 -2.616 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.890 0.381 -2.183 1.00 0.00 H new ATOM 250 N ALA A 17 -2.137 -3.458 -6.683 1.00 0.00 N ATOM 251 CA ALA A 17 -1.253 -4.353 -5.888 1.00 0.00 C ATOM 252 C ALA A 17 0.118 -4.445 -6.558 1.00 0.00 C ATOM 253 O ALA A 17 1.142 -4.286 -5.923 1.00 0.00 O ATOM 254 CB ALA A 17 -1.951 -5.713 -5.896 1.00 0.00 C ATOM 0 H ALA A 17 -3.086 -3.802 -6.829 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.093 -3.991 -4.872 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.358 -6.430 -5.328 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.938 -5.618 -5.443 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -2.056 -6.062 -6.923 1.00 0.00 H new ATOM 260 N LEU A 18 0.146 -4.691 -7.840 1.00 0.00 N ATOM 261 CA LEU A 18 1.453 -4.779 -8.549 1.00 0.00 C ATOM 262 C LEU A 18 2.336 -3.597 -8.147 1.00 0.00 C ATOM 263 O LEU A 18 3.512 -3.749 -7.880 1.00 0.00 O ATOM 264 CB LEU A 18 1.105 -4.712 -10.036 1.00 0.00 C ATOM 265 CG LEU A 18 2.153 -5.482 -10.841 1.00 0.00 C ATOM 266 CD1 LEU A 18 1.566 -5.880 -12.197 1.00 0.00 C ATOM 267 CD2 LEU A 18 3.380 -4.593 -11.060 1.00 0.00 C ATOM 0 H LEU A 18 -0.677 -4.834 -8.425 1.00 0.00 H new ATOM 0 HA LEU A 18 2.001 -5.689 -8.306 1.00 0.00 H new ATOM 0 HB2 LEU A 18 0.116 -5.136 -10.208 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.069 -3.674 -10.365 1.00 0.00 H new ATOM 0 HG LEU A 18 2.444 -6.379 -10.294 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.313 -6.429 -12.770 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.691 -6.512 -12.043 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.275 -4.984 -12.745 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.128 -5.140 -11.634 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.087 -3.697 -11.607 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.800 -4.308 -10.095 1.00 0.00 H new ATOM 279 N PHE A 19 1.775 -2.420 -8.093 1.00 0.00 N ATOM 280 CA PHE A 19 2.578 -1.229 -7.697 1.00 0.00 C ATOM 281 C PHE A 19 3.045 -1.382 -6.248 1.00 0.00 C ATOM 282 O PHE A 19 4.216 -1.268 -5.946 1.00 0.00 O ATOM 283 CB PHE A 19 1.623 -0.039 -7.834 1.00 0.00 C ATOM 284 CG PHE A 19 1.353 0.252 -9.296 1.00 0.00 C ATOM 285 CD1 PHE A 19 1.801 -0.630 -10.291 1.00 0.00 C ATOM 286 CD2 PHE A 19 0.652 1.411 -9.656 1.00 0.00 C ATOM 287 CE1 PHE A 19 1.548 -0.352 -11.640 1.00 0.00 C ATOM 288 CE2 PHE A 19 0.399 1.687 -11.005 1.00 0.00 C ATOM 289 CZ PHE A 19 0.847 0.807 -11.996 1.00 0.00 C ATOM 0 H PHE A 19 0.795 -2.232 -8.306 1.00 0.00 H new ATOM 0 HA PHE A 19 3.469 -1.102 -8.312 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.686 -0.255 -7.320 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.055 0.840 -7.355 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.341 -1.524 -10.016 1.00 0.00 H new ATOM 0 HD2 PHE A 19 0.307 2.092 -8.892 1.00 0.00 H new ATOM 0 HE1 PHE A 19 1.893 -1.031 -12.406 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.142 2.580 -11.281 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.652 1.022 -13.036 1.00 0.00 H new ATOM 299 N ASP A 20 2.134 -1.646 -5.351 1.00 0.00 N ATOM 300 CA ASP A 20 2.523 -1.816 -3.921 1.00 0.00 C ATOM 301 C ASP A 20 3.437 -3.036 -3.772 1.00 0.00 C ATOM 302 O ASP A 20 3.640 -3.787 -4.706 1.00 0.00 O ATOM 303 CB ASP A 20 1.205 -2.036 -3.178 1.00 0.00 C ATOM 304 CG ASP A 20 1.491 -2.544 -1.764 1.00 0.00 C ATOM 305 OD1 ASP A 20 1.778 -1.723 -0.908 1.00 0.00 O ATOM 306 OD2 ASP A 20 1.419 -3.744 -1.562 1.00 0.00 O ATOM 0 H ASP A 20 1.138 -1.751 -5.546 1.00 0.00 H new ATOM 0 HA ASP A 20 3.070 -0.957 -3.531 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.641 -1.104 -3.133 1.00 0.00 H new ATOM 0 HB3 ASP A 20 0.588 -2.756 -3.716 1.00 0.00 H new ATOM 311 N LYS A 21 3.995 -3.241 -2.609 1.00 0.00 N ATOM 312 CA LYS A 21 4.896 -4.415 -2.416 1.00 0.00 C ATOM 313 C LYS A 21 4.500 -5.196 -1.160 1.00 0.00 C ATOM 314 O LYS A 21 5.314 -5.860 -0.550 1.00 0.00 O ATOM 315 CB LYS A 21 6.294 -3.816 -2.255 1.00 0.00 C ATOM 316 CG LYS A 21 6.916 -3.592 -3.635 1.00 0.00 C ATOM 317 CD LYS A 21 8.427 -3.818 -3.555 1.00 0.00 C ATOM 318 CE LYS A 21 9.108 -2.549 -3.038 1.00 0.00 C ATOM 319 NZ LYS A 21 9.587 -2.899 -1.671 1.00 0.00 N ATOM 0 H LYS A 21 3.867 -2.650 -1.788 1.00 0.00 H new ATOM 0 HA LYS A 21 4.842 -5.115 -3.250 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.236 -2.872 -1.713 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.922 -4.484 -1.666 1.00 0.00 H new ATOM 0 HG2 LYS A 21 6.473 -4.274 -4.361 1.00 0.00 H new ATOM 0 HG3 LYS A 21 6.707 -2.580 -3.980 1.00 0.00 H new ATOM 0 HD2 LYS A 21 8.645 -4.656 -2.893 1.00 0.00 H new ATOM 0 HD3 LYS A 21 8.819 -4.079 -4.538 1.00 0.00 H new ATOM 0 HE2 LYS A 21 9.936 -2.254 -3.683 1.00 0.00 H new ATOM 0 HE3 LYS A 21 8.412 -1.711 -3.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 10.066 -2.077 -1.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 8.777 -3.169 -1.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 10.253 -3.695 -1.730 1.00 0.00 H new ATOM 333 N ASP A 22 3.258 -5.123 -0.766 1.00 0.00 N ATOM 334 CA ASP A 22 2.820 -5.863 0.455 1.00 0.00 C ATOM 335 C ASP A 22 1.292 -5.988 0.494 1.00 0.00 C ATOM 336 O ASP A 22 0.706 -6.217 1.533 1.00 0.00 O ATOM 337 CB ASP A 22 3.319 -5.019 1.629 1.00 0.00 C ATOM 338 CG ASP A 22 3.042 -3.539 1.351 1.00 0.00 C ATOM 339 OD1 ASP A 22 1.969 -3.242 0.854 1.00 0.00 O ATOM 340 OD2 ASP A 22 3.910 -2.731 1.639 1.00 0.00 O ATOM 0 H ASP A 22 2.529 -4.585 -1.234 1.00 0.00 H new ATOM 0 HA ASP A 22 3.216 -6.878 0.481 1.00 0.00 H new ATOM 0 HB2 ASP A 22 2.821 -5.326 2.549 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.387 -5.178 1.776 1.00 0.00 H new ATOM 345 N ASN A 23 0.645 -5.847 -0.630 1.00 0.00 N ATOM 346 CA ASN A 23 -0.845 -5.962 -0.659 1.00 0.00 C ATOM 347 C ASN A 23 -1.466 -5.255 0.550 1.00 0.00 C ATOM 348 O ASN A 23 -2.541 -5.602 0.995 1.00 0.00 O ATOM 349 CB ASN A 23 -1.139 -7.461 -0.595 1.00 0.00 C ATOM 350 CG ASN A 23 -0.143 -8.227 -1.469 1.00 0.00 C ATOM 351 OD1 ASN A 23 -0.322 -8.333 -2.667 1.00 0.00 O ATOM 352 ND2 ASN A 23 0.908 -8.771 -0.918 1.00 0.00 N ATOM 0 H ASN A 23 1.082 -5.657 -1.532 1.00 0.00 H new ATOM 0 HA ASN A 23 -1.264 -5.498 -1.552 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -1.074 -7.809 0.436 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -2.157 -7.655 -0.933 1.00 0.00 H new ATOM 0 HD21 ASN A 23 1.577 -9.284 -1.492 1.00 0.00 H new ATOM 0 HD22 ASN A 23 1.060 -8.683 0.087 1.00 0.00 H new ATOM 359 N ASN A 24 -0.805 -4.263 1.082 1.00 0.00 N ATOM 360 CA ASN A 24 -1.376 -3.537 2.256 1.00 0.00 C ATOM 361 C ASN A 24 -2.527 -2.635 1.804 1.00 0.00 C ATOM 362 O ASN A 24 -3.107 -1.914 2.591 1.00 0.00 O ATOM 363 CB ASN A 24 -0.231 -2.681 2.800 1.00 0.00 C ATOM 364 CG ASN A 24 0.887 -3.569 3.353 1.00 0.00 C ATOM 365 OD1 ASN A 24 1.969 -3.091 3.630 1.00 0.00 O ATOM 366 ND2 ASN A 24 0.677 -4.847 3.533 1.00 0.00 N ATOM 0 H ASN A 24 0.101 -3.924 0.758 1.00 0.00 H new ATOM 0 HA ASN A 24 -1.768 -4.223 3.007 1.00 0.00 H new ATOM 0 HB2 ASN A 24 0.162 -2.043 2.008 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -0.603 -2.023 3.585 1.00 0.00 H new ATOM 0 HD21 ASN A 24 1.420 -5.439 3.905 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -0.230 -5.252 3.302 1.00 0.00 H new ATOM 373 N GLY A 25 -2.846 -2.652 0.539 1.00 0.00 N ATOM 374 CA GLY A 25 -3.943 -1.777 0.040 1.00 0.00 C ATOM 375 C GLY A 25 -3.434 -0.337 -0.024 1.00 0.00 C ATOM 376 O GLY A 25 -4.165 0.578 -0.348 1.00 0.00 O ATOM 0 H GLY A 25 -2.396 -3.232 -0.169 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.269 -2.106 -0.947 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -4.808 -1.843 0.700 1.00 0.00 H new ATOM 380 N SER A 26 -2.181 -0.131 0.285 1.00 0.00 N ATOM 381 CA SER A 26 -1.612 1.242 0.247 1.00 0.00 C ATOM 382 C SER A 26 -0.236 1.213 -0.424 1.00 0.00 C ATOM 383 O SER A 26 0.522 0.275 -0.264 1.00 0.00 O ATOM 384 CB SER A 26 -1.490 1.654 1.713 1.00 0.00 C ATOM 385 OG SER A 26 -0.200 2.206 1.943 1.00 0.00 O ATOM 0 H SER A 26 -1.526 -0.861 0.563 1.00 0.00 H new ATOM 0 HA SER A 26 -2.229 1.939 -0.320 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.260 2.384 1.962 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.649 0.791 2.359 1.00 0.00 H new ATOM 0 HG SER A 26 -0.121 2.472 2.883 1.00 0.00 H new ATOM 391 N ILE A 27 0.090 2.226 -1.177 1.00 0.00 N ATOM 392 CA ILE A 27 1.415 2.243 -1.863 1.00 0.00 C ATOM 393 C ILE A 27 2.258 3.425 -1.379 1.00 0.00 C ATOM 394 O ILE A 27 1.842 4.564 -1.439 1.00 0.00 O ATOM 395 CB ILE A 27 1.088 2.399 -3.347 1.00 0.00 C ATOM 396 CG1 ILE A 27 0.498 1.095 -3.881 1.00 0.00 C ATOM 397 CG2 ILE A 27 2.364 2.735 -4.119 1.00 0.00 C ATOM 398 CD1 ILE A 27 -0.416 1.404 -5.066 1.00 0.00 C ATOM 0 H ILE A 27 -0.500 3.040 -1.348 1.00 0.00 H new ATOM 0 HA ILE A 27 1.991 1.341 -1.659 1.00 0.00 H new ATOM 0 HB ILE A 27 0.364 3.204 -3.475 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.297 0.420 -4.189 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.063 0.588 -3.096 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.130 2.846 -5.178 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.784 3.667 -3.740 1.00 0.00 H new ATOM 0 HG23 ILE A 27 3.089 1.932 -3.990 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.839 0.476 -5.451 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.221 2.064 -4.742 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.160 1.893 -5.852 1.00 0.00 H new ATOM 410 N SER A 28 3.446 3.161 -0.908 1.00 0.00 N ATOM 411 CA SER A 28 4.323 4.268 -0.431 1.00 0.00 C ATOM 412 C SER A 28 5.188 4.785 -1.584 1.00 0.00 C ATOM 413 O SER A 28 4.920 4.520 -2.740 1.00 0.00 O ATOM 414 CB SER A 28 5.194 3.642 0.656 1.00 0.00 C ATOM 415 OG SER A 28 5.217 4.499 1.791 1.00 0.00 O ATOM 0 H SER A 28 3.847 2.226 -0.833 1.00 0.00 H new ATOM 0 HA SER A 28 3.753 5.117 -0.055 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.803 2.663 0.933 1.00 0.00 H new ATOM 0 HB3 SER A 28 6.206 3.487 0.283 1.00 0.00 H new ATOM 0 HG SER A 28 5.774 4.099 2.491 1.00 0.00 H new ATOM 421 N SER A 29 6.223 5.520 -1.281 1.00 0.00 N ATOM 422 CA SER A 29 7.100 6.053 -2.362 1.00 0.00 C ATOM 423 C SER A 29 7.871 4.914 -3.037 1.00 0.00 C ATOM 424 O SER A 29 7.862 4.776 -4.244 1.00 0.00 O ATOM 425 CB SER A 29 8.063 7.005 -1.655 1.00 0.00 C ATOM 426 OG SER A 29 7.803 8.337 -2.078 1.00 0.00 O ATOM 0 H SER A 29 6.499 5.774 -0.333 1.00 0.00 H new ATOM 0 HA SER A 29 6.529 6.553 -3.144 1.00 0.00 H new ATOM 0 HB2 SER A 29 7.944 6.925 -0.575 1.00 0.00 H new ATOM 0 HB3 SER A 29 9.094 6.734 -1.883 1.00 0.00 H new ATOM 0 HG SER A 29 8.418 8.950 -1.625 1.00 0.00 H new ATOM 432 N SER A 30 8.542 4.100 -2.267 1.00 0.00 N ATOM 433 CA SER A 30 9.316 2.974 -2.867 1.00 0.00 C ATOM 434 C SER A 30 8.367 1.899 -3.406 1.00 0.00 C ATOM 435 O SER A 30 8.671 1.213 -4.361 1.00 0.00 O ATOM 436 CB SER A 30 10.156 2.419 -1.719 1.00 0.00 C ATOM 437 OG SER A 30 11.266 3.279 -1.491 1.00 0.00 O ATOM 0 H SER A 30 8.588 4.165 -1.250 1.00 0.00 H new ATOM 0 HA SER A 30 9.931 3.299 -3.706 1.00 0.00 H new ATOM 0 HB2 SER A 30 9.551 2.340 -0.816 1.00 0.00 H new ATOM 0 HB3 SER A 30 10.503 1.414 -1.960 1.00 0.00 H new ATOM 0 HG SER A 30 11.807 2.927 -0.753 1.00 0.00 H new ATOM 443 N GLU A 31 7.221 1.746 -2.801 1.00 0.00 N ATOM 444 CA GLU A 31 6.258 0.713 -3.280 1.00 0.00 C ATOM 445 C GLU A 31 5.829 1.012 -4.720 1.00 0.00 C ATOM 446 O GLU A 31 6.096 0.250 -5.627 1.00 0.00 O ATOM 447 CB GLU A 31 5.062 0.815 -2.336 1.00 0.00 C ATOM 448 CG GLU A 31 5.545 0.717 -0.887 1.00 0.00 C ATOM 449 CD GLU A 31 4.420 0.160 -0.010 1.00 0.00 C ATOM 450 OE1 GLU A 31 3.272 0.456 -0.296 1.00 0.00 O ATOM 451 OE2 GLU A 31 4.727 -0.551 0.932 1.00 0.00 O ATOM 0 H GLU A 31 6.910 2.291 -1.997 1.00 0.00 H new ATOM 0 HA GLU A 31 6.695 -0.286 -3.279 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.540 1.759 -2.494 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.349 0.018 -2.548 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.421 0.071 -0.827 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.849 1.700 -0.527 1.00 0.00 H new ATOM 458 N LEU A 32 5.167 2.116 -4.935 1.00 0.00 N ATOM 459 CA LEU A 32 4.722 2.457 -6.317 1.00 0.00 C ATOM 460 C LEU A 32 5.922 2.480 -7.268 1.00 0.00 C ATOM 461 O LEU A 32 5.877 1.938 -8.353 1.00 0.00 O ATOM 462 CB LEU A 32 4.100 3.849 -6.202 1.00 0.00 C ATOM 463 CG LEU A 32 2.710 3.839 -6.842 1.00 0.00 C ATOM 464 CD1 LEU A 32 1.990 5.151 -6.521 1.00 0.00 C ATOM 465 CD2 LEU A 32 2.849 3.695 -8.359 1.00 0.00 C ATOM 0 H LEU A 32 4.915 2.795 -4.216 1.00 0.00 H new ATOM 0 HA LEU A 32 4.016 1.728 -6.715 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.028 4.142 -5.155 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.735 4.585 -6.696 1.00 0.00 H new ATOM 0 HG LEU A 32 2.135 3.002 -6.447 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.000 5.144 -6.977 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.891 5.257 -5.441 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.565 5.988 -6.916 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.859 3.688 -8.816 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.424 4.533 -8.753 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.362 2.762 -8.590 1.00 0.00 H new ATOM 477 N ALA A 33 6.996 3.105 -6.867 1.00 0.00 N ATOM 478 CA ALA A 33 8.198 3.160 -7.749 1.00 0.00 C ATOM 479 C ALA A 33 8.660 1.743 -8.098 1.00 0.00 C ATOM 480 O ALA A 33 9.312 1.521 -9.099 1.00 0.00 O ATOM 481 CB ALA A 33 9.261 3.884 -6.924 1.00 0.00 C ATOM 0 H ALA A 33 7.093 3.579 -5.969 1.00 0.00 H new ATOM 0 HA ALA A 33 7.998 3.670 -8.691 1.00 0.00 H new ATOM 0 HB1 ALA A 33 10.180 3.965 -7.505 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.905 4.882 -6.667 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.458 3.322 -6.011 1.00 0.00 H new ATOM 487 N THR A 34 8.327 0.782 -7.280 1.00 0.00 N ATOM 488 CA THR A 34 8.748 -0.620 -7.564 1.00 0.00 C ATOM 489 C THR A 34 8.494 -0.962 -9.035 1.00 0.00 C ATOM 490 O THR A 34 9.298 -1.608 -9.678 1.00 0.00 O ATOM 491 CB THR A 34 7.875 -1.486 -6.654 1.00 0.00 C ATOM 492 OG1 THR A 34 8.158 -1.178 -5.297 1.00 0.00 O ATOM 493 CG2 THR A 34 8.171 -2.963 -6.917 1.00 0.00 C ATOM 0 H THR A 34 7.782 0.907 -6.427 1.00 0.00 H new ATOM 0 HA THR A 34 9.811 -0.777 -7.381 1.00 0.00 H new ATOM 0 HB THR A 34 6.823 -1.286 -6.860 1.00 0.00 H new ATOM 0 HG1 THR A 34 7.942 -0.238 -5.123 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.549 -3.580 -6.268 1.00 0.00 H new ATOM 0 HG22 THR A 34 7.953 -3.198 -7.959 1.00 0.00 H new ATOM 0 HG23 THR A 34 9.222 -3.166 -6.711 1.00 0.00 H new ATOM 501 N VAL A 35 7.384 -0.536 -9.571 1.00 0.00 N ATOM 502 CA VAL A 35 7.082 -0.838 -11.000 1.00 0.00 C ATOM 503 C VAL A 35 8.329 -0.623 -11.861 1.00 0.00 C ATOM 504 O VAL A 35 8.482 -1.219 -12.909 1.00 0.00 O ATOM 505 CB VAL A 35 5.982 0.148 -11.391 1.00 0.00 C ATOM 506 CG1 VAL A 35 4.684 -0.222 -10.670 1.00 0.00 C ATOM 507 CG2 VAL A 35 6.401 1.564 -10.989 1.00 0.00 C ATOM 0 H VAL A 35 6.673 0.008 -9.082 1.00 0.00 H new ATOM 0 HA VAL A 35 6.771 -1.872 -11.146 1.00 0.00 H new ATOM 0 HB VAL A 35 5.824 0.106 -12.469 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.900 0.481 -10.949 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.385 -1.231 -10.954 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.842 -0.181 -9.592 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.617 2.268 -11.267 1.00 0.00 H new ATOM 0 HG22 VAL A 35 6.559 1.604 -9.911 1.00 0.00 H new ATOM 0 HG23 VAL A 35 7.326 1.829 -11.502 1.00 0.00 H new ATOM 517 N MET A 36 9.221 0.226 -11.430 1.00 0.00 N ATOM 518 CA MET A 36 10.456 0.479 -12.226 1.00 0.00 C ATOM 519 C MET A 36 11.381 -0.740 -12.167 1.00 0.00 C ATOM 520 O MET A 36 12.241 -0.921 -13.006 1.00 0.00 O ATOM 521 CB MET A 36 11.118 1.686 -11.560 1.00 0.00 C ATOM 522 CG MET A 36 11.610 2.656 -12.636 1.00 0.00 C ATOM 523 SD MET A 36 10.505 4.088 -12.708 1.00 0.00 S ATOM 524 CE MET A 36 9.329 3.408 -13.903 1.00 0.00 C ATOM 0 H MET A 36 9.148 0.756 -10.561 1.00 0.00 H new ATOM 0 HA MET A 36 10.238 0.663 -13.278 1.00 0.00 H new ATOM 0 HB2 MET A 36 10.408 2.186 -10.901 1.00 0.00 H new ATOM 0 HB3 MET A 36 11.953 1.360 -10.940 1.00 0.00 H new ATOM 0 HG2 MET A 36 12.627 2.979 -12.412 1.00 0.00 H new ATOM 0 HG3 MET A 36 11.640 2.157 -13.605 1.00 0.00 H new ATOM 0 HE1 MET A 36 8.575 4.159 -14.139 1.00 0.00 H new ATOM 0 HE2 MET A 36 9.858 3.126 -14.814 1.00 0.00 H new ATOM 0 HE3 MET A 36 8.845 2.529 -13.477 1.00 0.00 H new ATOM 534 N ARG A 37 11.211 -1.578 -11.180 1.00 0.00 N ATOM 535 CA ARG A 37 12.080 -2.785 -11.068 1.00 0.00 C ATOM 536 C ARG A 37 11.748 -3.782 -12.181 1.00 0.00 C ATOM 537 O ARG A 37 12.616 -4.448 -12.710 1.00 0.00 O ATOM 538 CB ARG A 37 11.755 -3.381 -9.698 1.00 0.00 C ATOM 539 CG ARG A 37 12.917 -4.259 -9.233 1.00 0.00 C ATOM 540 CD ARG A 37 12.402 -5.310 -8.247 1.00 0.00 C ATOM 541 NE ARG A 37 13.544 -5.564 -7.325 1.00 0.00 N ATOM 542 CZ ARG A 37 13.540 -6.619 -6.558 1.00 0.00 C ATOM 543 NH1 ARG A 37 12.670 -6.718 -5.589 1.00 0.00 N ATOM 544 NH2 ARG A 37 14.404 -7.576 -6.758 1.00 0.00 N ATOM 0 H ARG A 37 10.509 -1.479 -10.447 1.00 0.00 H new ATOM 0 HA ARG A 37 13.138 -2.543 -11.166 1.00 0.00 H new ATOM 0 HB2 ARG A 37 11.577 -2.584 -8.976 1.00 0.00 H new ATOM 0 HB3 ARG A 37 10.840 -3.971 -9.754 1.00 0.00 H new ATOM 0 HG2 ARG A 37 13.383 -4.746 -10.089 1.00 0.00 H new ATOM 0 HG3 ARG A 37 13.683 -3.645 -8.759 1.00 0.00 H new ATOM 0 HD2 ARG A 37 11.529 -4.948 -7.704 1.00 0.00 H new ATOM 0 HD3 ARG A 37 12.101 -6.222 -8.763 1.00 0.00 H new ATOM 0 HE ARG A 37 14.329 -4.913 -7.293 1.00 0.00 H new ATOM 0 HH11 ARG A 37 11.994 -5.970 -5.432 1.00 0.00 H new ATOM 0 HH12 ARG A 37 12.667 -7.543 -4.989 1.00 0.00 H new ATOM 0 HH21 ARG A 37 15.084 -7.500 -7.515 1.00 0.00 H new ATOM 0 HH22 ARG A 37 14.400 -8.401 -6.158 1.00 0.00 H new ATOM 558 N SER A 38 10.498 -3.892 -12.540 1.00 0.00 N ATOM 559 CA SER A 38 10.113 -4.846 -13.619 1.00 0.00 C ATOM 560 C SER A 38 11.114 -4.769 -14.774 1.00 0.00 C ATOM 561 O SER A 38 11.340 -5.733 -15.479 1.00 0.00 O ATOM 562 CB SER A 38 8.729 -4.390 -14.076 1.00 0.00 C ATOM 563 OG SER A 38 7.885 -5.525 -14.224 1.00 0.00 O ATOM 0 H SER A 38 9.727 -3.363 -12.133 1.00 0.00 H new ATOM 0 HA SER A 38 10.107 -5.880 -13.274 1.00 0.00 H new ATOM 0 HB2 SER A 38 8.303 -3.698 -13.349 1.00 0.00 H new ATOM 0 HB3 SER A 38 8.804 -3.853 -15.021 1.00 0.00 H new ATOM 0 HG SER A 38 6.995 -5.235 -14.516 1.00 0.00 H new ATOM 569 N LEU A 39 11.714 -3.628 -14.975 1.00 0.00 N ATOM 570 CA LEU A 39 12.701 -3.490 -16.085 1.00 0.00 C ATOM 571 C LEU A 39 13.953 -2.758 -15.594 1.00 0.00 C ATOM 572 O LEU A 39 15.039 -3.302 -15.587 1.00 0.00 O ATOM 573 CB LEU A 39 11.982 -2.665 -17.153 1.00 0.00 C ATOM 574 CG LEU A 39 11.555 -3.579 -18.303 1.00 0.00 C ATOM 575 CD1 LEU A 39 10.146 -4.112 -18.035 1.00 0.00 C ATOM 576 CD2 LEU A 39 11.558 -2.786 -19.612 1.00 0.00 C ATOM 0 H LEU A 39 11.564 -2.786 -14.420 1.00 0.00 H new ATOM 0 HA LEU A 39 13.029 -4.456 -16.468 1.00 0.00 H new ATOM 0 HB2 LEU A 39 11.110 -2.174 -16.722 1.00 0.00 H new ATOM 0 HB3 LEU A 39 12.640 -1.879 -17.524 1.00 0.00 H new ATOM 0 HG LEU A 39 12.251 -4.414 -18.381 1.00 0.00 H new ATOM 0 HD11 LEU A 39 9.841 -4.763 -18.854 1.00 0.00 H new ATOM 0 HD12 LEU A 39 10.142 -4.676 -17.102 1.00 0.00 H new ATOM 0 HD13 LEU A 39 9.450 -3.277 -17.957 1.00 0.00 H new ATOM 0 HD21 LEU A 39 11.254 -3.436 -20.432 1.00 0.00 H new ATOM 0 HD22 LEU A 39 10.861 -1.951 -19.533 1.00 0.00 H new ATOM 0 HD23 LEU A 39 12.561 -2.405 -19.804 1.00 0.00 H new ATOM 588 N GLY A 40 13.809 -1.529 -15.181 1.00 0.00 N ATOM 589 CA GLY A 40 14.991 -0.764 -14.690 1.00 0.00 C ATOM 590 C GLY A 40 14.628 -0.042 -13.392 1.00 0.00 C ATOM 591 O GLY A 40 13.928 0.951 -13.397 1.00 0.00 O ATOM 0 H GLY A 40 12.925 -1.021 -15.162 1.00 0.00 H new ATOM 0 HA2 GLY A 40 15.830 -1.439 -14.521 1.00 0.00 H new ATOM 0 HA3 GLY A 40 15.309 -0.043 -15.443 1.00 0.00 H new ATOM 595 N LEU A 41 15.097 -0.533 -12.279 1.00 0.00 N ATOM 596 CA LEU A 41 14.776 0.126 -10.980 1.00 0.00 C ATOM 597 C LEU A 41 15.637 1.379 -10.793 1.00 0.00 C ATOM 598 O LEU A 41 16.718 1.325 -10.239 1.00 0.00 O ATOM 599 CB LEU A 41 15.110 -0.915 -9.912 1.00 0.00 C ATOM 600 CG LEU A 41 14.935 -0.296 -8.525 1.00 0.00 C ATOM 601 CD1 LEU A 41 13.479 -0.446 -8.079 1.00 0.00 C ATOM 602 CD2 LEU A 41 15.849 -1.011 -7.528 1.00 0.00 C ATOM 0 H LEU A 41 15.688 -1.361 -12.211 1.00 0.00 H new ATOM 0 HA LEU A 41 13.735 0.445 -10.928 1.00 0.00 H new ATOM 0 HB2 LEU A 41 14.460 -1.783 -10.019 1.00 0.00 H new ATOM 0 HB3 LEU A 41 16.134 -1.266 -10.039 1.00 0.00 H new ATOM 0 HG LEU A 41 15.196 0.762 -8.564 1.00 0.00 H new ATOM 0 HD11 LEU A 41 13.354 -0.005 -7.090 1.00 0.00 H new ATOM 0 HD12 LEU A 41 12.827 0.063 -8.789 1.00 0.00 H new ATOM 0 HD13 LEU A 41 13.217 -1.503 -8.040 1.00 0.00 H new ATOM 0 HD21 LEU A 41 15.724 -0.570 -6.539 1.00 0.00 H new ATOM 0 HD22 LEU A 41 15.588 -2.069 -7.489 1.00 0.00 H new ATOM 0 HD23 LEU A 41 16.887 -0.905 -7.845 1.00 0.00 H new ATOM 614 N SER A 42 15.164 2.507 -11.247 1.00 0.00 N ATOM 615 CA SER A 42 15.953 3.763 -11.093 1.00 0.00 C ATOM 616 C SER A 42 15.029 4.981 -11.183 1.00 0.00 C ATOM 617 O SER A 42 15.309 5.920 -11.900 1.00 0.00 O ATOM 618 CB SER A 42 16.943 3.753 -12.256 1.00 0.00 C ATOM 619 OG SER A 42 17.983 4.687 -11.994 1.00 0.00 O ATOM 0 H SER A 42 14.266 2.614 -11.718 1.00 0.00 H new ATOM 0 HA SER A 42 16.459 3.819 -10.129 1.00 0.00 H new ATOM 0 HB2 SER A 42 17.359 2.754 -12.386 1.00 0.00 H new ATOM 0 HB3 SER A 42 16.434 4.009 -13.185 1.00 0.00 H new ATOM 0 HG SER A 42 17.593 5.565 -11.801 1.00 0.00 H new ATOM 625 N PRO A 43 13.952 4.920 -10.446 1.00 0.00 N ATOM 626 CA PRO A 43 12.971 6.032 -10.439 1.00 0.00 C ATOM 627 C PRO A 43 13.523 7.229 -9.659 1.00 0.00 C ATOM 628 O PRO A 43 13.329 8.369 -10.031 1.00 0.00 O ATOM 629 CB PRO A 43 11.760 5.436 -9.729 1.00 0.00 C ATOM 630 CG PRO A 43 12.313 4.339 -8.875 1.00 0.00 C ATOM 631 CD PRO A 43 13.551 3.821 -9.560 1.00 0.00 C ATOM 0 HA PRO A 43 12.737 6.402 -11.437 1.00 0.00 H new ATOM 0 HB2 PRO A 43 11.248 6.186 -9.126 1.00 0.00 H new ATOM 0 HB3 PRO A 43 11.033 5.051 -10.444 1.00 0.00 H new ATOM 0 HG2 PRO A 43 12.552 4.711 -7.879 1.00 0.00 H new ATOM 0 HG3 PRO A 43 11.580 3.542 -8.751 1.00 0.00 H new ATOM 0 HD2 PRO A 43 14.335 3.582 -8.841 1.00 0.00 H new ATOM 0 HD3 PRO A 43 13.345 2.910 -10.122 1.00 0.00 H new ATOM 639 N SER A 44 14.209 6.978 -8.578 1.00 0.00 N ATOM 640 CA SER A 44 14.772 8.099 -7.769 1.00 0.00 C ATOM 641 C SER A 44 13.641 8.867 -7.080 1.00 0.00 C ATOM 642 O SER A 44 12.559 8.998 -7.616 1.00 0.00 O ATOM 643 CB SER A 44 15.499 8.996 -8.771 1.00 0.00 C ATOM 644 OG SER A 44 15.888 8.220 -9.897 1.00 0.00 O ATOM 0 H SER A 44 14.405 6.044 -8.218 1.00 0.00 H new ATOM 0 HA SER A 44 15.443 7.746 -6.986 1.00 0.00 H new ATOM 0 HB2 SER A 44 14.849 9.813 -9.084 1.00 0.00 H new ATOM 0 HB3 SER A 44 16.375 9.447 -8.305 1.00 0.00 H new ATOM 0 HG SER A 44 16.353 8.791 -10.543 1.00 0.00 H new ATOM 650 N GLU A 45 13.887 9.364 -5.893 1.00 0.00 N ATOM 651 CA GLU A 45 12.834 10.122 -5.147 1.00 0.00 C ATOM 652 C GLU A 45 11.956 10.926 -6.110 1.00 0.00 C ATOM 653 O GLU A 45 10.745 10.914 -6.015 1.00 0.00 O ATOM 654 CB GLU A 45 13.608 11.060 -4.222 1.00 0.00 C ATOM 655 CG GLU A 45 14.619 11.866 -5.040 1.00 0.00 C ATOM 656 CD GLU A 45 15.627 12.528 -4.099 1.00 0.00 C ATOM 657 OE1 GLU A 45 15.316 12.658 -2.926 1.00 0.00 O ATOM 658 OE2 GLU A 45 16.693 12.894 -4.566 1.00 0.00 O ATOM 0 H GLU A 45 14.778 9.277 -5.405 1.00 0.00 H new ATOM 0 HA GLU A 45 12.166 9.458 -4.599 1.00 0.00 H new ATOM 0 HB2 GLU A 45 12.920 11.733 -3.710 1.00 0.00 H new ATOM 0 HB3 GLU A 45 14.123 10.485 -3.452 1.00 0.00 H new ATOM 0 HG2 GLU A 45 15.136 11.213 -5.743 1.00 0.00 H new ATOM 0 HG3 GLU A 45 14.104 12.624 -5.629 1.00 0.00 H new ATOM 665 N ALA A 46 12.551 11.618 -7.040 1.00 0.00 N ATOM 666 CA ALA A 46 11.736 12.409 -8.005 1.00 0.00 C ATOM 667 C ALA A 46 10.600 11.543 -8.553 1.00 0.00 C ATOM 668 O ALA A 46 9.448 11.924 -8.528 1.00 0.00 O ATOM 669 CB ALA A 46 12.706 12.796 -9.121 1.00 0.00 C ATOM 0 H ALA A 46 13.561 11.671 -7.174 1.00 0.00 H new ATOM 0 HA ALA A 46 11.280 13.286 -7.547 1.00 0.00 H new ATOM 0 HB1 ALA A 46 12.179 13.383 -9.874 1.00 0.00 H new ATOM 0 HB2 ALA A 46 13.522 13.387 -8.705 1.00 0.00 H new ATOM 0 HB3 ALA A 46 13.110 11.894 -9.581 1.00 0.00 H new ATOM 675 N GLU A 47 10.920 10.375 -9.042 1.00 0.00 N ATOM 676 CA GLU A 47 9.861 9.476 -9.585 1.00 0.00 C ATOM 677 C GLU A 47 9.153 8.754 -8.437 1.00 0.00 C ATOM 678 O GLU A 47 7.961 8.521 -8.476 1.00 0.00 O ATOM 679 CB GLU A 47 10.606 8.478 -10.469 1.00 0.00 C ATOM 680 CG GLU A 47 11.389 9.231 -11.546 1.00 0.00 C ATOM 681 CD GLU A 47 10.432 9.684 -12.650 1.00 0.00 C ATOM 682 OE1 GLU A 47 9.237 9.681 -12.409 1.00 0.00 O ATOM 683 OE2 GLU A 47 10.911 10.026 -13.718 1.00 0.00 O ATOM 0 H GLU A 47 11.869 10.005 -9.089 1.00 0.00 H new ATOM 0 HA GLU A 47 9.097 10.019 -10.142 1.00 0.00 H new ATOM 0 HB2 GLU A 47 11.285 7.878 -9.864 1.00 0.00 H new ATOM 0 HB3 GLU A 47 9.900 7.790 -10.933 1.00 0.00 H new ATOM 0 HG2 GLU A 47 11.891 10.094 -11.109 1.00 0.00 H new ATOM 0 HG3 GLU A 47 12.164 8.588 -11.963 1.00 0.00 H new ATOM 690 N VAL A 48 9.881 8.403 -7.413 1.00 0.00 N ATOM 691 CA VAL A 48 9.258 7.704 -6.253 1.00 0.00 C ATOM 692 C VAL A 48 8.230 8.622 -5.597 1.00 0.00 C ATOM 693 O VAL A 48 7.043 8.363 -5.607 1.00 0.00 O ATOM 694 CB VAL A 48 10.414 7.435 -5.288 1.00 0.00 C ATOM 695 CG1 VAL A 48 9.952 6.490 -4.180 1.00 0.00 C ATOM 696 CG2 VAL A 48 11.579 6.795 -6.043 1.00 0.00 C ATOM 0 H VAL A 48 10.884 8.571 -7.329 1.00 0.00 H new ATOM 0 HA VAL A 48 8.745 6.787 -6.543 1.00 0.00 H new ATOM 0 HB VAL A 48 10.738 8.379 -4.850 1.00 0.00 H new ATOM 0 HG11 VAL A 48 10.778 6.301 -3.495 1.00 0.00 H new ATOM 0 HG12 VAL A 48 9.125 6.945 -3.635 1.00 0.00 H new ATOM 0 HG13 VAL A 48 9.622 5.548 -4.619 1.00 0.00 H new ATOM 0 HG21 VAL A 48 12.400 6.605 -5.352 1.00 0.00 H new ATOM 0 HG22 VAL A 48 11.253 5.854 -6.486 1.00 0.00 H new ATOM 0 HG23 VAL A 48 11.916 7.469 -6.831 1.00 0.00 H new ATOM 706 N ASN A 49 8.691 9.699 -5.031 1.00 0.00 N ATOM 707 CA ASN A 49 7.770 10.661 -4.371 1.00 0.00 C ATOM 708 C ASN A 49 6.702 11.134 -5.366 1.00 0.00 C ATOM 709 O ASN A 49 5.546 11.283 -5.025 1.00 0.00 O ATOM 710 CB ASN A 49 8.685 11.812 -3.945 1.00 0.00 C ATOM 711 CG ASN A 49 7.892 13.119 -3.851 1.00 0.00 C ATOM 712 OD1 ASN A 49 7.505 13.533 -2.777 1.00 0.00 O ATOM 713 ND2 ASN A 49 7.632 13.790 -4.941 1.00 0.00 N ATOM 0 H ASN A 49 9.677 9.957 -4.997 1.00 0.00 H new ATOM 0 HA ASN A 49 7.230 10.233 -3.527 1.00 0.00 H new ATOM 0 HB2 ASN A 49 9.140 11.585 -2.981 1.00 0.00 H new ATOM 0 HB3 ASN A 49 9.498 11.923 -4.663 1.00 0.00 H new ATOM 0 HD21 ASN A 49 7.104 14.661 -4.890 1.00 0.00 H new ATOM 0 HD22 ASN A 49 7.957 13.443 -5.843 1.00 0.00 H new ATOM 720 N ASP A 50 7.080 11.372 -6.592 1.00 0.00 N ATOM 721 CA ASP A 50 6.085 11.836 -7.602 1.00 0.00 C ATOM 722 C ASP A 50 5.095 10.713 -7.922 1.00 0.00 C ATOM 723 O ASP A 50 3.921 10.947 -8.127 1.00 0.00 O ATOM 724 CB ASP A 50 6.910 12.191 -8.839 1.00 0.00 C ATOM 725 CG ASP A 50 5.975 12.644 -9.962 1.00 0.00 C ATOM 726 OD1 ASP A 50 5.494 13.764 -9.891 1.00 0.00 O ATOM 727 OD2 ASP A 50 5.757 11.865 -10.875 1.00 0.00 O ATOM 0 H ASP A 50 8.033 11.266 -6.938 1.00 0.00 H new ATOM 0 HA ASP A 50 5.500 12.684 -7.246 1.00 0.00 H new ATOM 0 HB2 ASP A 50 7.620 12.983 -8.601 1.00 0.00 H new ATOM 0 HB3 ASP A 50 7.492 11.327 -9.162 1.00 0.00 H new ATOM 732 N LEU A 51 5.559 9.494 -7.966 1.00 0.00 N ATOM 733 CA LEU A 51 4.645 8.358 -8.272 1.00 0.00 C ATOM 734 C LEU A 51 3.556 8.256 -7.201 1.00 0.00 C ATOM 735 O LEU A 51 2.382 8.166 -7.502 1.00 0.00 O ATOM 736 CB LEU A 51 5.535 7.116 -8.253 1.00 0.00 C ATOM 737 CG LEU A 51 6.121 6.886 -9.647 1.00 0.00 C ATOM 738 CD1 LEU A 51 7.062 5.681 -9.614 1.00 0.00 C ATOM 739 CD2 LEU A 51 4.985 6.617 -10.637 1.00 0.00 C ATOM 0 H LEU A 51 6.532 9.236 -7.803 1.00 0.00 H new ATOM 0 HA LEU A 51 4.139 8.480 -9.230 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.337 7.242 -7.526 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.957 6.246 -7.942 1.00 0.00 H new ATOM 0 HG LEU A 51 6.676 7.771 -9.958 1.00 0.00 H new ATOM 0 HD11 LEU A 51 7.479 5.518 -10.608 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.870 5.870 -8.908 1.00 0.00 H new ATOM 0 HD13 LEU A 51 6.508 4.795 -9.303 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.400 6.453 -11.631 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.432 5.732 -10.324 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.313 7.475 -10.662 1.00 0.00 H new ATOM 751 N MET A 52 3.935 8.271 -5.952 1.00 0.00 N ATOM 752 CA MET A 52 2.918 8.177 -4.867 1.00 0.00 C ATOM 753 C MET A 52 2.054 9.440 -4.844 1.00 0.00 C ATOM 754 O MET A 52 0.845 9.376 -4.765 1.00 0.00 O ATOM 755 CB MET A 52 3.727 8.057 -3.574 1.00 0.00 C ATOM 756 CG MET A 52 2.820 8.334 -2.375 1.00 0.00 C ATOM 757 SD MET A 52 2.845 10.102 -1.994 1.00 0.00 S ATOM 758 CE MET A 52 4.628 10.251 -1.727 1.00 0.00 C ATOM 0 H MET A 52 4.902 8.344 -5.637 1.00 0.00 H new ATOM 0 HA MET A 52 2.243 7.332 -5.005 1.00 0.00 H new ATOM 0 HB2 MET A 52 4.158 7.059 -3.494 1.00 0.00 H new ATOM 0 HB3 MET A 52 4.557 8.763 -3.586 1.00 0.00 H new ATOM 0 HG2 MET A 52 1.802 8.013 -2.594 1.00 0.00 H new ATOM 0 HG3 MET A 52 3.156 7.760 -1.511 1.00 0.00 H new ATOM 0 HE1 MET A 52 4.822 11.030 -0.989 1.00 0.00 H new ATOM 0 HE2 MET A 52 5.022 9.302 -1.364 1.00 0.00 H new ATOM 0 HE3 MET A 52 5.116 10.511 -2.666 1.00 0.00 H new ATOM 768 N ASN A 53 2.668 10.590 -4.916 1.00 0.00 N ATOM 769 CA ASN A 53 1.882 11.856 -4.902 1.00 0.00 C ATOM 770 C ASN A 53 0.972 11.924 -6.132 1.00 0.00 C ATOM 771 O ASN A 53 -0.119 12.456 -6.080 1.00 0.00 O ATOM 772 CB ASN A 53 2.926 12.972 -4.945 1.00 0.00 C ATOM 773 CG ASN A 53 3.031 13.625 -3.565 1.00 0.00 C ATOM 774 OD1 ASN A 53 2.603 13.061 -2.578 1.00 0.00 O ATOM 775 ND2 ASN A 53 3.588 14.801 -3.455 1.00 0.00 N ATOM 0 H ASN A 53 3.679 10.707 -4.984 1.00 0.00 H new ATOM 0 HA ASN A 53 1.239 11.934 -4.025 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.894 12.568 -5.243 1.00 0.00 H new ATOM 0 HB3 ASN A 53 2.648 13.716 -5.691 1.00 0.00 H new ATOM 0 HD21 ASN A 53 3.664 15.246 -2.540 1.00 0.00 H new ATOM 0 HD22 ASN A 53 3.947 15.275 -4.284 1.00 0.00 H new ATOM 782 N GLU A 54 1.413 11.389 -7.238 1.00 0.00 N ATOM 783 CA GLU A 54 0.570 11.424 -8.468 1.00 0.00 C ATOM 784 C GLU A 54 -0.854 10.969 -8.143 1.00 0.00 C ATOM 785 O GLU A 54 -1.814 11.439 -8.721 1.00 0.00 O ATOM 786 CB GLU A 54 1.240 10.445 -9.434 1.00 0.00 C ATOM 787 CG GLU A 54 1.709 11.197 -10.680 1.00 0.00 C ATOM 788 CD GLU A 54 2.450 10.233 -11.609 1.00 0.00 C ATOM 789 OE1 GLU A 54 3.632 10.026 -11.394 1.00 0.00 O ATOM 790 OE2 GLU A 54 1.822 9.719 -12.520 1.00 0.00 O ATOM 0 H GLU A 54 2.318 10.930 -7.343 1.00 0.00 H new ATOM 0 HA GLU A 54 0.495 12.426 -8.891 1.00 0.00 H new ATOM 0 HB2 GLU A 54 2.087 9.961 -8.948 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.540 9.657 -9.714 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.855 11.633 -11.198 1.00 0.00 H new ATOM 0 HG3 GLU A 54 2.364 12.021 -10.396 1.00 0.00 H new ATOM 797 N ILE A 55 -0.999 10.059 -7.220 1.00 0.00 N ATOM 798 CA ILE A 55 -2.361 9.574 -6.857 1.00 0.00 C ATOM 799 C ILE A 55 -2.594 9.733 -5.351 1.00 0.00 C ATOM 800 O ILE A 55 -3.567 9.247 -4.810 1.00 0.00 O ATOM 801 CB ILE A 55 -2.374 8.097 -7.251 1.00 0.00 C ATOM 802 CG1 ILE A 55 -1.354 7.333 -6.403 1.00 0.00 C ATOM 803 CG2 ILE A 55 -2.008 7.960 -8.730 1.00 0.00 C ATOM 804 CD1 ILE A 55 -1.155 5.930 -6.981 1.00 0.00 C ATOM 0 H ILE A 55 -0.233 9.630 -6.701 1.00 0.00 H new ATOM 0 HA ILE A 55 -3.148 10.135 -7.360 1.00 0.00 H new ATOM 0 HB ILE A 55 -3.369 7.686 -7.082 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.405 7.869 -6.387 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.700 7.267 -5.372 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.017 6.907 -9.011 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.733 8.504 -9.336 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.013 8.372 -8.898 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -0.429 5.387 -6.376 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -2.105 5.395 -6.974 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -0.790 6.007 -8.005 1.00 0.00 H new ATOM 816 N ASP A 56 -1.708 10.410 -4.673 1.00 0.00 N ATOM 817 CA ASP A 56 -1.882 10.601 -3.203 1.00 0.00 C ATOM 818 C ASP A 56 -2.982 11.631 -2.933 1.00 0.00 C ATOM 819 O ASP A 56 -2.718 12.801 -2.743 1.00 0.00 O ATOM 820 CB ASP A 56 -0.531 11.117 -2.707 1.00 0.00 C ATOM 821 CG ASP A 56 -0.522 11.135 -1.178 1.00 0.00 C ATOM 822 OD1 ASP A 56 -1.519 10.745 -0.594 1.00 0.00 O ATOM 823 OD2 ASP A 56 0.484 11.539 -0.616 1.00 0.00 O ATOM 0 H ASP A 56 -0.873 10.839 -5.071 1.00 0.00 H new ATOM 0 HA ASP A 56 -2.176 9.681 -2.698 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.272 10.480 -3.078 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.348 12.119 -3.094 1.00 0.00 H new ATOM 828 N VAL A 57 -4.215 11.203 -2.916 1.00 0.00 N ATOM 829 CA VAL A 57 -5.332 12.157 -2.661 1.00 0.00 C ATOM 830 C VAL A 57 -5.250 12.708 -1.235 1.00 0.00 C ATOM 831 O VAL A 57 -5.566 13.853 -0.982 1.00 0.00 O ATOM 832 CB VAL A 57 -6.606 11.331 -2.843 1.00 0.00 C ATOM 833 CG1 VAL A 57 -6.672 10.799 -4.275 1.00 0.00 C ATOM 834 CG2 VAL A 57 -6.591 10.153 -1.866 1.00 0.00 C ATOM 0 H VAL A 57 -4.497 10.235 -3.068 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.300 13.015 -3.332 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.475 11.959 -2.648 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -7.581 10.211 -4.403 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -6.680 11.635 -4.974 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -5.803 10.171 -4.470 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -7.498 9.563 -1.994 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.720 9.528 -2.063 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -6.544 10.529 -0.844 1.00 0.00 H new ATOM 844 N ASP A 58 -4.829 11.900 -0.300 1.00 0.00 N ATOM 845 CA ASP A 58 -4.730 12.378 1.109 1.00 0.00 C ATOM 846 C ASP A 58 -3.425 13.151 1.321 1.00 0.00 C ATOM 847 O ASP A 58 -3.388 14.145 2.019 1.00 0.00 O ATOM 848 CB ASP A 58 -4.743 11.106 1.959 1.00 0.00 C ATOM 849 CG ASP A 58 -5.887 10.199 1.503 1.00 0.00 C ATOM 850 OD1 ASP A 58 -6.958 10.718 1.239 1.00 0.00 O ATOM 851 OD2 ASP A 58 -5.672 9.000 1.428 1.00 0.00 O ATOM 0 H ASP A 58 -4.550 10.931 -0.450 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.543 13.055 1.371 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.791 10.583 1.865 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.864 11.361 3.012 1.00 0.00 H new ATOM 856 N GLY A 59 -2.354 12.703 0.724 1.00 0.00 N ATOM 857 CA GLY A 59 -1.055 13.414 0.893 1.00 0.00 C ATOM 858 C GLY A 59 -0.273 12.783 2.046 1.00 0.00 C ATOM 859 O GLY A 59 0.545 13.423 2.678 1.00 0.00 O ATOM 0 H GLY A 59 -2.322 11.876 0.127 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -0.475 13.357 -0.028 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.230 14.471 1.094 1.00 0.00 H new ATOM 863 N ASN A 60 -0.515 11.532 2.324 1.00 0.00 N ATOM 864 CA ASN A 60 0.218 10.860 3.436 1.00 0.00 C ATOM 865 C ASN A 60 1.400 10.062 2.881 1.00 0.00 C ATOM 866 O ASN A 60 1.747 9.014 3.388 1.00 0.00 O ATOM 867 CB ASN A 60 -0.806 9.924 4.078 1.00 0.00 C ATOM 868 CG ASN A 60 -1.346 8.957 3.023 1.00 0.00 C ATOM 869 OD1 ASN A 60 -1.811 9.374 1.982 1.00 0.00 O ATOM 870 ND2 ASN A 60 -1.305 7.673 3.251 1.00 0.00 N ATOM 0 H ASN A 60 -1.188 10.945 1.830 1.00 0.00 H new ATOM 0 HA ASN A 60 0.624 11.573 4.154 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -0.345 9.368 4.894 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -1.623 10.502 4.509 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.664 7.020 2.555 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -0.914 7.323 4.126 1.00 0.00 H new ATOM 877 N HIS A 61 2.018 10.552 1.839 1.00 0.00 N ATOM 878 CA HIS A 61 3.179 9.826 1.244 1.00 0.00 C ATOM 879 C HIS A 61 2.761 8.415 0.814 1.00 0.00 C ATOM 880 O HIS A 61 3.589 7.572 0.532 1.00 0.00 O ATOM 881 CB HIS A 61 4.226 9.766 2.357 1.00 0.00 C ATOM 882 CG HIS A 61 4.614 11.166 2.750 1.00 0.00 C ATOM 883 ND1 HIS A 61 3.696 12.074 3.252 1.00 0.00 N ATOM 884 CD2 HIS A 61 5.816 11.827 2.716 1.00 0.00 C ATOM 885 CE1 HIS A 61 4.354 13.223 3.495 1.00 0.00 C ATOM 886 NE2 HIS A 61 5.649 13.127 3.187 1.00 0.00 N ATOM 0 H HIS A 61 1.769 11.425 1.373 1.00 0.00 H new ATOM 0 HA HIS A 61 3.564 10.324 0.354 1.00 0.00 H new ATOM 0 HB2 HIS A 61 3.827 9.231 3.219 1.00 0.00 H new ATOM 0 HB3 HIS A 61 5.103 9.215 2.018 1.00 0.00 H new ATOM 0 HD2 HIS A 61 6.749 11.404 2.376 1.00 0.00 H new ATOM 0 HE1 HIS A 61 3.890 14.114 3.891 1.00 0.00 H new ATOM 0 HE2 HIS A 61 6.363 13.850 3.277 1.00 0.00 H new ATOM 894 N GLN A 62 1.483 8.157 0.756 1.00 0.00 N ATOM 895 CA GLN A 62 1.009 6.807 0.337 1.00 0.00 C ATOM 896 C GLN A 62 -0.404 6.908 -0.241 1.00 0.00 C ATOM 897 O GLN A 62 -1.137 7.834 0.048 1.00 0.00 O ATOM 898 CB GLN A 62 0.997 5.962 1.612 1.00 0.00 C ATOM 899 CG GLN A 62 2.358 6.051 2.304 1.00 0.00 C ATOM 900 CD GLN A 62 2.408 5.051 3.461 1.00 0.00 C ATOM 901 OE1 GLN A 62 2.390 3.855 3.247 1.00 0.00 O ATOM 902 NE2 GLN A 62 2.471 5.493 4.687 1.00 0.00 N ATOM 0 H GLN A 62 0.745 8.824 0.981 1.00 0.00 H new ATOM 0 HA GLN A 62 1.648 6.370 -0.431 1.00 0.00 H new ATOM 0 HB2 GLN A 62 0.213 6.312 2.284 1.00 0.00 H new ATOM 0 HB3 GLN A 62 0.769 4.924 1.369 1.00 0.00 H new ATOM 0 HG2 GLN A 62 3.155 5.839 1.591 1.00 0.00 H new ATOM 0 HG3 GLN A 62 2.524 7.062 2.676 1.00 0.00 H new ATOM 0 HE21 GLN A 62 2.486 6.497 4.867 1.00 0.00 H new ATOM 0 HE22 GLN A 62 2.505 4.835 5.465 1.00 0.00 H new ATOM 911 N ILE A 63 -0.790 5.968 -1.053 1.00 0.00 N ATOM 912 CA ILE A 63 -2.151 6.012 -1.648 1.00 0.00 C ATOM 913 C ILE A 63 -2.805 4.631 -1.577 1.00 0.00 C ATOM 914 O ILE A 63 -2.136 3.619 -1.497 1.00 0.00 O ATOM 915 CB ILE A 63 -1.925 6.419 -3.102 1.00 0.00 C ATOM 916 CG1 ILE A 63 -1.338 5.240 -3.878 1.00 0.00 C ATOM 917 CG2 ILE A 63 -0.957 7.603 -3.159 1.00 0.00 C ATOM 918 CD1 ILE A 63 -2.475 4.446 -4.526 1.00 0.00 C ATOM 0 H ILE A 63 -0.220 5.169 -1.331 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.811 6.703 -1.124 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.876 6.708 -3.548 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.648 5.599 -4.642 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.766 4.598 -3.209 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.797 7.892 -4.198 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.378 8.444 -2.609 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.005 7.317 -2.711 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.061 3.604 -5.081 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.147 4.075 -3.752 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.028 5.093 -5.207 1.00 0.00 H new ATOM 930 N GLU A 64 -4.106 4.580 -1.619 1.00 0.00 N ATOM 931 CA GLU A 64 -4.802 3.266 -1.567 1.00 0.00 C ATOM 932 C GLU A 64 -5.315 2.907 -2.963 1.00 0.00 C ATOM 933 O GLU A 64 -5.223 3.692 -3.886 1.00 0.00 O ATOM 934 CB GLU A 64 -5.967 3.466 -0.597 1.00 0.00 C ATOM 935 CG GLU A 64 -5.483 4.233 0.635 1.00 0.00 C ATOM 936 CD GLU A 64 -6.151 3.660 1.887 1.00 0.00 C ATOM 937 OE1 GLU A 64 -7.274 3.198 1.777 1.00 0.00 O ATOM 938 OE2 GLU A 64 -5.526 3.695 2.936 1.00 0.00 O ATOM 0 H GLU A 64 -4.718 5.393 -1.687 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.148 2.457 -1.242 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.771 4.015 -1.087 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.376 2.500 -0.299 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.399 4.157 0.721 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.722 5.292 0.535 1.00 0.00 H new ATOM 945 N PHE A 65 -5.851 1.731 -3.131 1.00 0.00 N ATOM 946 CA PHE A 65 -6.359 1.343 -4.476 1.00 0.00 C ATOM 947 C PHE A 65 -7.275 2.436 -5.034 1.00 0.00 C ATOM 948 O PHE A 65 -6.934 3.118 -5.978 1.00 0.00 O ATOM 949 CB PHE A 65 -7.145 0.052 -4.256 1.00 0.00 C ATOM 950 CG PHE A 65 -7.927 -0.250 -5.506 1.00 0.00 C ATOM 951 CD1 PHE A 65 -7.250 -0.496 -6.706 1.00 0.00 C ATOM 952 CD2 PHE A 65 -9.325 -0.267 -5.473 1.00 0.00 C ATOM 953 CE1 PHE A 65 -7.972 -0.760 -7.873 1.00 0.00 C ATOM 954 CE2 PHE A 65 -10.047 -0.533 -6.641 1.00 0.00 C ATOM 955 CZ PHE A 65 -9.370 -0.779 -7.839 1.00 0.00 C ATOM 0 H PHE A 65 -5.959 1.026 -2.402 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.549 1.208 -5.193 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.467 -0.770 -4.026 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.818 0.158 -3.405 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.170 -0.482 -6.730 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -9.846 -0.075 -4.547 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -7.451 -0.949 -8.800 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -11.127 -0.548 -6.617 1.00 0.00 H new ATOM 0 HZ PHE A 65 -9.928 -0.984 -8.741 1.00 0.00 H new ATOM 965 N SER A 66 -8.439 2.593 -4.458 1.00 0.00 N ATOM 966 CA SER A 66 -9.399 3.632 -4.943 1.00 0.00 C ATOM 967 C SER A 66 -8.655 4.875 -5.445 1.00 0.00 C ATOM 968 O SER A 66 -8.991 5.434 -6.470 1.00 0.00 O ATOM 969 CB SER A 66 -10.253 3.979 -3.723 1.00 0.00 C ATOM 970 OG SER A 66 -10.437 2.812 -2.933 1.00 0.00 O ATOM 0 H SER A 66 -8.769 2.042 -3.666 1.00 0.00 H new ATOM 0 HA SER A 66 -9.998 3.271 -5.779 1.00 0.00 H new ATOM 0 HB2 SER A 66 -9.768 4.758 -3.135 1.00 0.00 H new ATOM 0 HB3 SER A 66 -11.218 4.374 -4.040 1.00 0.00 H new ATOM 0 HG SER A 66 -10.983 3.031 -2.149 1.00 0.00 H new ATOM 976 N GLU A 67 -7.642 5.307 -4.743 1.00 0.00 N ATOM 977 CA GLU A 67 -6.884 6.503 -5.205 1.00 0.00 C ATOM 978 C GLU A 67 -6.223 6.192 -6.549 1.00 0.00 C ATOM 979 O GLU A 67 -6.280 6.973 -7.480 1.00 0.00 O ATOM 980 CB GLU A 67 -5.833 6.755 -4.124 1.00 0.00 C ATOM 981 CG GLU A 67 -6.523 6.874 -2.765 1.00 0.00 C ATOM 982 CD GLU A 67 -5.574 7.536 -1.765 1.00 0.00 C ATOM 983 OE1 GLU A 67 -4.437 7.782 -2.131 1.00 0.00 O ATOM 984 OE2 GLU A 67 -6.000 7.786 -0.650 1.00 0.00 O ATOM 0 H GLU A 67 -7.309 4.886 -3.876 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.519 7.377 -5.349 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -5.110 5.940 -4.107 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.280 7.668 -4.345 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.436 7.462 -2.859 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.815 5.887 -2.406 1.00 0.00 H new ATOM 991 N PHE A 68 -5.614 5.043 -6.662 1.00 0.00 N ATOM 992 CA PHE A 68 -4.968 4.664 -7.948 1.00 0.00 C ATOM 993 C PHE A 68 -6.001 4.764 -9.074 1.00 0.00 C ATOM 994 O PHE A 68 -5.690 5.143 -10.186 1.00 0.00 O ATOM 995 CB PHE A 68 -4.510 3.215 -7.738 1.00 0.00 C ATOM 996 CG PHE A 68 -4.398 2.496 -9.064 1.00 0.00 C ATOM 997 CD1 PHE A 68 -3.634 3.044 -10.101 1.00 0.00 C ATOM 998 CD2 PHE A 68 -5.054 1.272 -9.250 1.00 0.00 C ATOM 999 CE1 PHE A 68 -3.525 2.368 -11.322 1.00 0.00 C ATOM 1000 CE2 PHE A 68 -4.946 0.598 -10.471 1.00 0.00 C ATOM 1001 CZ PHE A 68 -4.180 1.145 -11.507 1.00 0.00 C ATOM 0 H PHE A 68 -5.537 4.350 -5.917 1.00 0.00 H new ATOM 0 HA PHE A 68 -4.132 5.308 -8.222 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -3.546 3.202 -7.229 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -5.218 2.694 -7.094 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.129 3.988 -9.959 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.643 0.849 -8.450 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.935 2.791 -12.122 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.454 -0.344 -10.614 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.094 0.623 -12.449 1.00 0.00 H new ATOM 1011 N LEU A 69 -7.231 4.436 -8.785 1.00 0.00 N ATOM 1012 CA LEU A 69 -8.294 4.520 -9.825 1.00 0.00 C ATOM 1013 C LEU A 69 -8.571 5.984 -10.163 1.00 0.00 C ATOM 1014 O LEU A 69 -8.574 6.378 -11.312 1.00 0.00 O ATOM 1015 CB LEU A 69 -9.523 3.874 -9.184 1.00 0.00 C ATOM 1016 CG LEU A 69 -9.561 2.387 -9.536 1.00 0.00 C ATOM 1017 CD1 LEU A 69 -9.951 2.220 -11.005 1.00 0.00 C ATOM 1018 CD2 LEU A 69 -8.181 1.769 -9.303 1.00 0.00 C ATOM 0 H LEU A 69 -7.546 4.113 -7.870 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.013 4.023 -10.754 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -9.491 4.001 -8.102 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -10.430 4.365 -9.536 1.00 0.00 H new ATOM 0 HG LEU A 69 -10.294 1.885 -8.905 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -9.978 1.160 -11.256 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.935 2.658 -11.172 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -9.218 2.723 -11.636 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.210 0.709 -9.554 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -7.446 2.271 -9.932 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.902 1.886 -8.256 1.00 0.00 H new ATOM 1030 N ALA A 70 -8.798 6.797 -9.166 1.00 0.00 N ATOM 1031 CA ALA A 70 -9.066 8.238 -9.427 1.00 0.00 C ATOM 1032 C ALA A 70 -8.082 8.767 -10.472 1.00 0.00 C ATOM 1033 O ALA A 70 -8.448 9.494 -11.374 1.00 0.00 O ATOM 1034 CB ALA A 70 -8.849 8.931 -8.081 1.00 0.00 C ATOM 0 H ALA A 70 -8.809 6.524 -8.183 1.00 0.00 H new ATOM 0 HA ALA A 70 -10.070 8.414 -9.814 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -9.028 10.001 -8.190 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -9.540 8.520 -7.345 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.824 8.766 -7.748 1.00 0.00 H new ATOM 1040 N LEU A 71 -6.834 8.402 -10.357 1.00 0.00 N ATOM 1041 CA LEU A 71 -5.824 8.879 -11.345 1.00 0.00 C ATOM 1042 C LEU A 71 -5.813 7.963 -12.572 1.00 0.00 C ATOM 1043 O LEU A 71 -5.450 8.370 -13.658 1.00 0.00 O ATOM 1044 CB LEU A 71 -4.485 8.806 -10.610 1.00 0.00 C ATOM 1045 CG LEU A 71 -3.387 9.401 -11.492 1.00 0.00 C ATOM 1046 CD1 LEU A 71 -2.953 10.754 -10.925 1.00 0.00 C ATOM 1047 CD2 LEU A 71 -2.186 8.452 -11.518 1.00 0.00 C ATOM 0 H LEU A 71 -6.470 7.795 -9.623 1.00 0.00 H new ATOM 0 HA LEU A 71 -6.038 9.886 -11.702 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.545 9.351 -9.668 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.248 7.771 -10.365 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.768 9.537 -12.504 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.170 11.178 -11.554 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.807 11.430 -10.904 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.572 10.619 -9.913 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.402 8.874 -12.146 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.806 8.318 -10.505 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.493 7.487 -11.921 1.00 0.00 H new ATOM 1059 N MET A 72 -6.208 6.729 -12.409 1.00 0.00 N ATOM 1060 CA MET A 72 -6.218 5.790 -13.569 1.00 0.00 C ATOM 1061 C MET A 72 -7.294 6.205 -14.575 1.00 0.00 C ATOM 1062 O MET A 72 -7.011 6.820 -15.584 1.00 0.00 O ATOM 1063 CB MET A 72 -6.544 4.422 -12.974 1.00 0.00 C ATOM 1064 CG MET A 72 -5.383 3.463 -13.240 1.00 0.00 C ATOM 1065 SD MET A 72 -5.189 3.231 -15.024 1.00 0.00 S ATOM 1066 CE MET A 72 -3.490 2.606 -14.986 1.00 0.00 C ATOM 0 H MET A 72 -6.524 6.331 -11.525 1.00 0.00 H new ATOM 0 HA MET A 72 -5.267 5.785 -14.102 1.00 0.00 H new ATOM 0 HB2 MET A 72 -6.718 4.512 -11.902 1.00 0.00 H new ATOM 0 HB3 MET A 72 -7.461 4.031 -13.414 1.00 0.00 H new ATOM 0 HG2 MET A 72 -4.463 3.861 -12.812 1.00 0.00 H new ATOM 0 HG3 MET A 72 -5.571 2.505 -12.756 1.00 0.00 H new ATOM 0 HE1 MET A 72 -3.158 2.392 -16.002 1.00 0.00 H new ATOM 0 HE2 MET A 72 -2.836 3.356 -14.541 1.00 0.00 H new ATOM 0 HE3 MET A 72 -3.451 1.693 -14.392 1.00 0.00 H new ATOM 1076 N SER A 73 -8.528 5.871 -14.309 1.00 0.00 N ATOM 1077 CA SER A 73 -9.621 6.245 -15.251 1.00 0.00 C ATOM 1078 C SER A 73 -9.936 7.738 -15.130 1.00 0.00 C ATOM 1079 O SER A 73 -9.387 8.433 -14.298 1.00 0.00 O ATOM 1080 CB SER A 73 -10.823 5.408 -14.815 1.00 0.00 C ATOM 1081 OG SER A 73 -10.657 5.019 -13.458 1.00 0.00 O ATOM 0 H SER A 73 -8.826 5.356 -13.481 1.00 0.00 H new ATOM 0 HA SER A 73 -9.351 6.061 -16.291 1.00 0.00 H new ATOM 0 HB2 SER A 73 -11.742 5.983 -14.931 1.00 0.00 H new ATOM 0 HB3 SER A 73 -10.916 4.526 -15.449 1.00 0.00 H new ATOM 0 HG SER A 73 -11.427 4.483 -13.175 1.00 0.00 H new ATOM 1087 N ARG A 74 -10.815 8.237 -15.955 1.00 0.00 N ATOM 1088 CA ARG A 74 -11.164 9.686 -15.888 1.00 0.00 C ATOM 1089 C ARG A 74 -12.684 9.865 -15.900 1.00 0.00 C ATOM 1090 O ARG A 74 -13.220 10.649 -16.659 1.00 0.00 O ATOM 1091 CB ARG A 74 -10.540 10.303 -17.140 1.00 0.00 C ATOM 1092 CG ARG A 74 -9.817 11.599 -16.766 1.00 0.00 C ATOM 1093 CD ARG A 74 -10.825 12.748 -16.710 1.00 0.00 C ATOM 1094 NE ARG A 74 -10.044 13.921 -16.230 1.00 0.00 N ATOM 1095 CZ ARG A 74 -9.794 14.913 -17.040 1.00 0.00 C ATOM 1096 NH1 ARG A 74 -10.775 15.637 -17.507 1.00 0.00 N ATOM 1097 NH2 ARG A 74 -8.564 15.183 -17.381 1.00 0.00 N ATOM 0 H ARG A 74 -11.307 7.705 -16.673 1.00 0.00 H new ATOM 0 HA ARG A 74 -10.797 10.157 -14.976 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -9.840 9.602 -17.593 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -11.313 10.506 -17.882 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -9.323 11.487 -15.801 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -9.040 11.818 -17.498 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -11.261 12.939 -17.690 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -11.648 12.518 -16.034 1.00 0.00 H new ATOM 0 HE ARG A 74 -9.705 13.949 -15.269 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -11.736 15.427 -17.239 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -10.580 16.413 -18.140 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -7.798 14.619 -17.014 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -8.369 15.958 -18.014 1.00 0.00 H new ATOM 1111 N GLN A 75 -13.383 9.144 -15.068 1.00 0.00 N ATOM 1112 CA GLN A 75 -14.868 9.274 -15.033 1.00 0.00 C ATOM 1113 C GLN A 75 -15.470 8.819 -16.365 1.00 0.00 C ATOM 1114 O GLN A 75 -14.960 7.930 -17.017 1.00 0.00 O ATOM 1115 CB GLN A 75 -15.130 10.763 -14.805 1.00 0.00 C ATOM 1116 CG GLN A 75 -16.328 10.935 -13.869 1.00 0.00 C ATOM 1117 CD GLN A 75 -15.832 11.092 -12.431 1.00 0.00 C ATOM 1118 OE1 GLN A 75 -15.427 12.165 -12.030 1.00 0.00 O ATOM 1119 NE2 GLN A 75 -15.847 10.060 -11.631 1.00 0.00 N ATOM 0 H GLN A 75 -12.991 8.470 -14.410 1.00 0.00 H new ATOM 0 HA GLN A 75 -15.319 8.658 -14.255 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -14.248 11.236 -14.374 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -15.325 11.258 -15.756 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -16.910 11.809 -14.162 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -16.989 10.072 -13.945 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -16.187 9.159 -11.967 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -15.519 10.155 -10.670 1.00 0.00 H new ATOM 1128 N LEU A 76 -16.552 9.424 -16.775 1.00 0.00 N ATOM 1129 CA LEU A 76 -17.185 9.025 -18.065 1.00 0.00 C ATOM 1130 C LEU A 76 -16.538 9.782 -19.228 1.00 0.00 C ATOM 1131 O LEU A 76 -17.211 10.376 -20.046 1.00 0.00 O ATOM 1132 CB LEU A 76 -18.656 9.418 -17.922 1.00 0.00 C ATOM 1133 CG LEU A 76 -19.529 8.165 -18.008 1.00 0.00 C ATOM 1134 CD1 LEU A 76 -20.070 7.823 -16.618 1.00 0.00 C ATOM 1135 CD2 LEU A 76 -20.699 8.425 -18.959 1.00 0.00 C ATOM 0 H LEU A 76 -17.024 10.176 -16.273 1.00 0.00 H new ATOM 0 HA LEU A 76 -17.065 7.962 -18.273 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -18.818 9.922 -16.969 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -18.933 10.122 -18.707 1.00 0.00 H new ATOM 0 HG LEU A 76 -18.933 7.332 -18.381 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -20.692 6.930 -16.679 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -19.238 7.639 -15.939 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -20.666 8.656 -16.245 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -21.322 7.533 -19.021 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -21.294 9.258 -18.585 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -20.315 8.670 -19.949 1.00 0.00 H new ATOM 1147 N LYS A 77 -15.235 9.766 -19.307 1.00 0.00 N ATOM 1148 CA LYS A 77 -14.547 10.486 -20.417 1.00 0.00 C ATOM 1149 C LYS A 77 -14.785 9.761 -21.745 1.00 0.00 C ATOM 1150 O LYS A 77 -14.425 10.313 -22.772 1.00 0.00 O ATOM 1151 CB LYS A 77 -13.064 10.457 -20.049 1.00 0.00 C ATOM 1152 CG LYS A 77 -12.361 11.672 -20.658 1.00 0.00 C ATOM 1153 CD LYS A 77 -11.093 11.219 -21.383 1.00 0.00 C ATOM 1154 CE LYS A 77 -10.263 12.444 -21.775 1.00 0.00 C ATOM 1155 NZ LYS A 77 -9.343 11.959 -22.840 1.00 0.00 N ATOM 1156 OXT LYS A 77 -15.322 8.666 -21.711 1.00 0.00 O ATOM 0 H LYS A 77 -14.618 9.286 -18.652 1.00 0.00 H new ATOM 0 HA LYS A 77 -14.916 11.504 -20.540 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -12.948 10.462 -18.965 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -12.606 9.538 -20.415 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -13.028 12.180 -21.354 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -12.109 12.389 -19.877 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -10.509 10.562 -20.739 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -11.355 10.645 -22.272 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -10.898 13.251 -22.139 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -9.708 12.835 -20.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -8.740 12.743 -23.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -8.746 11.196 -22.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -9.899 11.599 -23.642 1.00 0.00 H new TER 1170 LYS A 77 HETATM 1171 CA CA A 101 2.079 -0.947 1.767 1.00 0.00 CA HETATM 1172 CA CA A 102 -3.502 8.871 -0.044 1.00 0.00 CA