USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 545 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 19 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 57 GLN : amide:sc= -0.0353 X(o=-0.035,f=0.24) USER MOD Single : A 1 MET CE :methyl 161:sc= -1.38 (180deg=-2.11) USER MOD Single : A 1 MET N :NH3+ 173:sc= 2.43 (180deg=2.25) USER MOD Single : A 8 ASN : amide:sc= -0.121 X(o=-0.12,f=-0.1) USER MOD Single : A 21 THR OG1 : rot -140:sc= 0.281 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0.691 K(o=0.69,f=-4.5!) USER MOD Single : A 27 LYS NZ :NH3+ 151:sc= 1.24 (180deg=1.22) USER MOD Single : A 32 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0148) USER MOD Single : A 34 GLN :FLIP amide:sc= -0.0696 F(o=-1.4!,f=-0.07) USER MOD Single : A 40 GLN : amide:sc= -0.758 K(o=-0.76,f=-5.4!) USER MOD Single : A 48 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0954) USER MOD Single : A 52 ASN : amide:sc= -0.0358 K(o=-0.036,f=-2.8!) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.0322 USER MOD Single : A 58 ASN : amide:sc= 0.611 K(o=0.61,f=-4.7!) USER MOD Single : A 59 CYS SG : rot 74:sc= -0.0339 USER MOD Single : A 63 GLN : amide:sc= -0.802 K(o=-0.8,f=-5.1!) USER MOD Single : A 64 GLN : amide:sc= -0.0636 X(o=-0.064,f=-0.53) USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 71 GLN : amide:sc= -0.0357 K(o=-0.036,f=-1.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.246 -0.415 -0.066 1.00 0.00 N ATOM 2 CA MET A 1 2.184 -0.439 -1.201 1.00 0.00 C ATOM 3 C MET A 1 1.892 -1.637 -2.087 1.00 0.00 C ATOM 4 O MET A 1 1.294 -2.616 -1.644 1.00 0.00 O ATOM 5 CB MET A 1 3.639 -0.494 -0.710 1.00 0.00 C ATOM 6 CG MET A 1 4.046 -1.826 -0.096 1.00 0.00 C ATOM 7 SD MET A 1 5.768 -1.840 0.439 1.00 0.00 S ATOM 8 CE MET A 1 5.988 -3.572 0.834 1.00 0.00 C ATOM 0 H1 MET A 1 1.524 0.335 0.598 1.00 0.00 H new ATOM 0 H2 MET A 1 0.284 -0.230 -0.415 1.00 0.00 H new ATOM 0 H3 MET A 1 1.267 -1.334 0.421 1.00 0.00 H new ATOM 0 HA MET A 1 2.051 0.478 -1.776 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.301 -0.277 -1.548 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.791 0.294 0.028 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.402 -2.042 0.757 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.888 -2.622 -0.824 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.052 -3.809 0.852 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.553 -3.780 1.812 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.493 -4.183 0.079 1.00 0.00 H new ATOM 20 N ILE A 2 2.310 -1.564 -3.325 1.00 0.00 N ATOM 21 CA ILE A 2 2.078 -2.631 -4.269 1.00 0.00 C ATOM 22 C ILE A 2 3.341 -3.447 -4.482 1.00 0.00 C ATOM 23 O ILE A 2 4.377 -2.916 -4.876 1.00 0.00 O ATOM 24 CB ILE A 2 1.581 -2.078 -5.625 1.00 0.00 C ATOM 25 CG1 ILE A 2 0.247 -1.342 -5.441 1.00 0.00 C ATOM 26 CG2 ILE A 2 1.439 -3.200 -6.641 1.00 0.00 C ATOM 27 CD1 ILE A 2 -0.300 -0.732 -6.714 1.00 0.00 C ATOM 0 H ILE A 2 2.819 -0.767 -3.707 1.00 0.00 H new ATOM 0 HA ILE A 2 1.305 -3.276 -3.851 1.00 0.00 H new ATOM 0 HB ILE A 2 2.318 -1.370 -6.003 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -0.488 -2.039 -5.039 1.00 0.00 H new ATOM 0 HG13 ILE A 2 0.378 -0.554 -4.700 1.00 0.00 H new ATOM 0 HG21 ILE A 2 1.088 -2.791 -7.588 1.00 0.00 H new ATOM 0 HG22 ILE A 2 2.406 -3.681 -6.789 1.00 0.00 H new ATOM 0 HG23 ILE A 2 0.721 -3.934 -6.275 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -1.244 -0.230 -6.501 1.00 0.00 H new ATOM 0 HD12 ILE A 2 0.415 -0.009 -7.107 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -0.465 -1.517 -7.452 1.00 0.00 H new ATOM 39 N VAL A 3 3.258 -4.736 -4.207 1.00 0.00 N ATOM 40 CA VAL A 3 4.386 -5.624 -4.400 1.00 0.00 C ATOM 41 C VAL A 3 4.200 -6.444 -5.667 1.00 0.00 C ATOM 42 O VAL A 3 3.068 -6.744 -6.068 1.00 0.00 O ATOM 43 CB VAL A 3 4.606 -6.573 -3.187 1.00 0.00 C ATOM 44 CG1 VAL A 3 4.911 -5.779 -1.930 1.00 0.00 C ATOM 45 CG2 VAL A 3 3.405 -7.481 -2.962 1.00 0.00 C ATOM 0 H VAL A 3 2.418 -5.191 -3.848 1.00 0.00 H new ATOM 0 HA VAL A 3 5.273 -4.998 -4.493 1.00 0.00 H new ATOM 0 HB VAL A 3 5.464 -7.204 -3.418 1.00 0.00 H new ATOM 0 HG11 VAL A 3 5.061 -6.463 -1.095 1.00 0.00 H new ATOM 0 HG12 VAL A 3 5.815 -5.189 -2.083 1.00 0.00 H new ATOM 0 HG13 VAL A 3 4.076 -5.114 -1.708 1.00 0.00 H new ATOM 0 HG21 VAL A 3 3.595 -8.130 -2.107 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.521 -6.874 -2.768 1.00 0.00 H new ATOM 0 HG23 VAL A 3 3.238 -8.091 -3.850 1.00 0.00 H new ATOM 55 N PHE A 4 5.298 -6.784 -6.305 1.00 0.00 N ATOM 56 CA PHE A 4 5.261 -7.579 -7.516 1.00 0.00 C ATOM 57 C PHE A 4 5.407 -9.038 -7.160 1.00 0.00 C ATOM 58 O PHE A 4 6.339 -9.419 -6.449 1.00 0.00 O ATOM 59 CB PHE A 4 6.372 -7.148 -8.472 1.00 0.00 C ATOM 60 CG PHE A 4 6.337 -5.688 -8.803 1.00 0.00 C ATOM 61 CD1 PHE A 4 7.258 -4.819 -8.248 1.00 0.00 C ATOM 62 CD2 PHE A 4 5.374 -5.183 -9.660 1.00 0.00 C ATOM 63 CE1 PHE A 4 7.223 -3.470 -8.543 1.00 0.00 C ATOM 64 CE2 PHE A 4 5.333 -3.837 -9.960 1.00 0.00 C ATOM 65 CZ PHE A 4 6.259 -2.979 -9.400 1.00 0.00 C ATOM 0 H PHE A 4 6.236 -6.520 -6.003 1.00 0.00 H new ATOM 0 HA PHE A 4 4.305 -7.426 -8.018 1.00 0.00 H new ATOM 0 HB2 PHE A 4 7.338 -7.389 -8.028 1.00 0.00 H new ATOM 0 HB3 PHE A 4 6.292 -7.724 -9.394 1.00 0.00 H new ATOM 0 HD1 PHE A 4 8.013 -5.199 -7.576 1.00 0.00 H new ATOM 0 HD2 PHE A 4 4.647 -5.850 -10.099 1.00 0.00 H new ATOM 0 HE1 PHE A 4 7.948 -2.801 -8.104 1.00 0.00 H new ATOM 0 HE2 PHE A 4 4.578 -3.455 -10.631 1.00 0.00 H new ATOM 0 HZ PHE A 4 6.229 -1.925 -9.632 1.00 0.00 H new ATOM 75 N VAL A 5 4.501 -9.856 -7.643 1.00 0.00 N ATOM 76 CA VAL A 5 4.514 -11.258 -7.302 1.00 0.00 C ATOM 77 C VAL A 5 4.144 -12.143 -8.501 1.00 0.00 C ATOM 78 O VAL A 5 3.231 -11.833 -9.265 1.00 0.00 O ATOM 79 CB VAL A 5 3.562 -11.525 -6.106 1.00 0.00 C ATOM 80 CG1 VAL A 5 2.183 -10.967 -6.375 1.00 0.00 C ATOM 81 CG2 VAL A 5 3.481 -12.998 -5.776 1.00 0.00 C ATOM 0 H VAL A 5 3.748 -9.575 -8.271 1.00 0.00 H new ATOM 0 HA VAL A 5 5.531 -11.521 -7.012 1.00 0.00 H new ATOM 0 HB VAL A 5 3.980 -11.011 -5.240 1.00 0.00 H new ATOM 0 HG11 VAL A 5 1.536 -11.168 -5.521 1.00 0.00 H new ATOM 0 HG12 VAL A 5 2.251 -9.891 -6.534 1.00 0.00 H new ATOM 0 HG13 VAL A 5 1.767 -11.439 -7.265 1.00 0.00 H new ATOM 0 HG21 VAL A 5 2.805 -13.146 -4.934 1.00 0.00 H new ATOM 0 HG22 VAL A 5 3.107 -13.545 -6.642 1.00 0.00 H new ATOM 0 HG23 VAL A 5 4.473 -13.367 -5.515 1.00 0.00 H new ATOM 91 N ARG A 6 4.890 -13.225 -8.665 1.00 0.00 N ATOM 92 CA ARG A 6 4.658 -14.186 -9.728 1.00 0.00 C ATOM 93 C ARG A 6 4.221 -15.519 -9.159 1.00 0.00 C ATOM 94 O ARG A 6 4.987 -16.188 -8.465 1.00 0.00 O ATOM 95 CB ARG A 6 5.923 -14.400 -10.555 1.00 0.00 C ATOM 96 CG ARG A 6 6.182 -13.337 -11.591 1.00 0.00 C ATOM 97 CD ARG A 6 7.424 -13.659 -12.391 1.00 0.00 C ATOM 98 NE ARG A 6 7.678 -12.672 -13.434 1.00 0.00 N ATOM 99 CZ ARG A 6 8.822 -12.569 -14.099 1.00 0.00 C ATOM 100 NH1 ARG A 6 9.828 -13.394 -13.833 1.00 0.00 N1+ ATOM 101 NH2 ARG A 6 8.960 -11.644 -15.034 1.00 0.00 N ATOM 0 H ARG A 6 5.677 -13.461 -8.060 1.00 0.00 H new ATOM 0 HA ARG A 6 3.871 -13.783 -10.365 1.00 0.00 H new ATOM 0 HB2 ARG A 6 6.778 -14.448 -9.881 1.00 0.00 H new ATOM 0 HB3 ARG A 6 5.856 -15.367 -11.054 1.00 0.00 H new ATOM 0 HG2 ARG A 6 5.324 -13.257 -12.259 1.00 0.00 H new ATOM 0 HG3 ARG A 6 6.298 -12.369 -11.104 1.00 0.00 H new ATOM 0 HD2 ARG A 6 8.283 -13.707 -11.722 1.00 0.00 H new ATOM 0 HD3 ARG A 6 7.317 -14.645 -12.844 1.00 0.00 H new ATOM 0 HE ARG A 6 6.929 -12.020 -13.667 1.00 0.00 H new ATOM 0 HH11 ARG A 6 9.723 -14.111 -13.115 1.00 0.00 H new ATOM 0 HH12 ARG A 6 10.705 -13.311 -14.347 1.00 0.00 H new ATOM 0 HH21 ARG A 6 8.188 -11.011 -15.243 1.00 0.00 H new ATOM 0 HH22 ARG A 6 9.839 -11.563 -15.546 1.00 0.00 H new ATOM 115 N PHE A 7 2.999 -15.902 -9.441 1.00 0.00 N ATOM 116 CA PHE A 7 2.511 -17.192 -9.012 1.00 0.00 C ATOM 117 C PHE A 7 2.838 -18.217 -10.090 1.00 0.00 C ATOM 118 O PHE A 7 2.788 -17.907 -11.273 1.00 0.00 O ATOM 119 CB PHE A 7 1.001 -17.143 -8.738 1.00 0.00 C ATOM 120 CG PHE A 7 0.456 -18.377 -8.072 1.00 0.00 C ATOM 121 CD1 PHE A 7 0.558 -18.542 -6.703 1.00 0.00 C ATOM 122 CD2 PHE A 7 -0.162 -19.369 -8.816 1.00 0.00 C ATOM 123 CE1 PHE A 7 0.058 -19.671 -6.088 1.00 0.00 C ATOM 124 CE2 PHE A 7 -0.666 -20.500 -8.206 1.00 0.00 C ATOM 125 CZ PHE A 7 -0.554 -20.652 -6.840 1.00 0.00 C ATOM 0 H PHE A 7 2.326 -15.342 -9.964 1.00 0.00 H new ATOM 0 HA PHE A 7 2.997 -17.477 -8.079 1.00 0.00 H new ATOM 0 HB2 PHE A 7 0.785 -16.279 -8.110 1.00 0.00 H new ATOM 0 HB3 PHE A 7 0.476 -16.991 -9.681 1.00 0.00 H new ATOM 0 HD1 PHE A 7 1.035 -17.777 -6.108 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -0.250 -19.256 -9.886 1.00 0.00 H new ATOM 0 HE1 PHE A 7 0.146 -19.787 -5.018 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -1.147 -21.265 -8.798 1.00 0.00 H new ATOM 0 HZ PHE A 7 -0.945 -21.537 -6.360 1.00 0.00 H new ATOM 135 N ASN A 8 3.183 -19.424 -9.669 1.00 0.00 N ATOM 136 CA ASN A 8 3.568 -20.514 -10.583 1.00 0.00 C ATOM 137 C ASN A 8 2.572 -20.704 -11.736 1.00 0.00 C ATOM 138 O ASN A 8 2.964 -20.993 -12.862 1.00 0.00 O ATOM 139 CB ASN A 8 3.719 -21.822 -9.802 1.00 0.00 C ATOM 140 CG ASN A 8 4.154 -22.988 -10.677 1.00 0.00 C ATOM 141 OD1 ASN A 8 5.347 -23.199 -10.897 1.00 0.00 O ATOM 142 ND2 ASN A 8 3.195 -23.763 -11.159 1.00 0.00 N ATOM 0 H ASN A 8 3.207 -19.686 -8.684 1.00 0.00 H new ATOM 0 HA ASN A 8 4.522 -20.234 -11.029 1.00 0.00 H new ATOM 0 HB2 ASN A 8 4.449 -21.681 -9.005 1.00 0.00 H new ATOM 0 HB3 ASN A 8 2.770 -22.066 -9.326 1.00 0.00 H new ATOM 0 HD21 ASN A 8 3.433 -24.570 -11.736 1.00 0.00 H new ATOM 0 HD22 ASN A 8 2.218 -23.553 -10.953 1.00 0.00 H new ATOM 188 N GLY A 12 3.300 -12.073 -13.567 1.00 0.00 N ATOM 189 CA GLY A 12 3.743 -11.132 -12.564 1.00 0.00 C ATOM 190 C GLY A 12 2.681 -10.101 -12.279 1.00 0.00 C ATOM 191 O GLY A 12 2.619 -9.063 -12.937 1.00 0.00 O ATOM 0 HA2 GLY A 12 3.992 -11.665 -11.646 1.00 0.00 H new ATOM 0 HA3 GLY A 12 4.653 -10.637 -12.902 1.00 0.00 H new ATOM 195 N PHE A 13 1.843 -10.381 -11.305 1.00 0.00 N ATOM 196 CA PHE A 13 0.748 -9.498 -10.971 1.00 0.00 C ATOM 197 C PHE A 13 1.087 -8.632 -9.762 1.00 0.00 C ATOM 198 O PHE A 13 1.902 -9.016 -8.923 1.00 0.00 O ATOM 199 CB PHE A 13 -0.556 -10.296 -10.743 1.00 0.00 C ATOM 200 CG PHE A 13 -0.446 -11.435 -9.759 1.00 0.00 C ATOM 201 CD1 PHE A 13 -0.753 -11.250 -8.422 1.00 0.00 C ATOM 202 CD2 PHE A 13 -0.053 -12.693 -10.179 1.00 0.00 C ATOM 203 CE1 PHE A 13 -0.668 -12.298 -7.524 1.00 0.00 C ATOM 204 CE2 PHE A 13 0.038 -13.742 -9.286 1.00 0.00 C ATOM 205 CZ PHE A 13 -0.270 -13.544 -7.958 1.00 0.00 C ATOM 0 H PHE A 13 1.900 -11.219 -10.727 1.00 0.00 H new ATOM 0 HA PHE A 13 0.586 -8.831 -11.817 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -1.328 -9.609 -10.395 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -0.892 -10.695 -11.700 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.063 -10.275 -8.076 1.00 0.00 H new ATOM 0 HD2 PHE A 13 0.186 -12.857 -11.219 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -0.913 -12.140 -6.484 1.00 0.00 H new ATOM 0 HE2 PHE A 13 0.351 -14.717 -9.628 1.00 0.00 H new ATOM 0 HZ PHE A 13 -0.200 -14.364 -7.258 1.00 0.00 H new ATOM 215 N PRO A 14 0.498 -7.433 -9.682 1.00 0.00 N ATOM 216 CA PRO A 14 0.724 -6.520 -8.582 1.00 0.00 C ATOM 217 C PRO A 14 -0.291 -6.709 -7.446 1.00 0.00 C ATOM 218 O PRO A 14 -1.503 -6.695 -7.669 1.00 0.00 O ATOM 219 CB PRO A 14 0.538 -5.160 -9.248 1.00 0.00 C ATOM 220 CG PRO A 14 -0.479 -5.390 -10.324 1.00 0.00 C ATOM 221 CD PRO A 14 -0.432 -6.862 -10.678 1.00 0.00 C ATOM 0 HA PRO A 14 1.696 -6.662 -8.110 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.193 -4.414 -8.532 1.00 0.00 H new ATOM 0 HB3 PRO A 14 1.476 -4.793 -9.664 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -1.474 -5.109 -9.979 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -0.260 -4.777 -11.198 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -1.419 -7.321 -10.614 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -0.074 -7.018 -11.696 1.00 0.00 H new ATOM 229 N VAL A 15 0.210 -6.894 -6.238 1.00 0.00 N ATOM 230 CA VAL A 15 -0.653 -7.063 -5.081 1.00 0.00 C ATOM 231 C VAL A 15 -0.469 -5.909 -4.099 1.00 0.00 C ATOM 232 O VAL A 15 0.645 -5.636 -3.644 1.00 0.00 O ATOM 233 CB VAL A 15 -0.409 -8.426 -4.367 1.00 0.00 C ATOM 234 CG1 VAL A 15 -1.191 -8.506 -3.062 1.00 0.00 C ATOM 235 CG2 VAL A 15 -0.815 -9.568 -5.277 1.00 0.00 C ATOM 0 H VAL A 15 1.208 -6.931 -6.032 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.682 -7.060 -5.442 1.00 0.00 H new ATOM 0 HB VAL A 15 0.654 -8.504 -4.138 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.003 -9.467 -2.584 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.874 -7.702 -2.398 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -2.256 -8.406 -3.270 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.641 -10.517 -4.770 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.873 -9.478 -5.525 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.224 -9.532 -6.192 1.00 0.00 H new ATOM 245 N GLU A 16 -1.561 -5.224 -3.800 1.00 0.00 N ATOM 246 CA GLU A 16 -1.536 -4.105 -2.875 1.00 0.00 C ATOM 247 C GLU A 16 -1.611 -4.634 -1.447 1.00 0.00 C ATOM 248 O GLU A 16 -2.558 -5.348 -1.087 1.00 0.00 O ATOM 249 CB GLU A 16 -2.721 -3.163 -3.162 1.00 0.00 C ATOM 250 CG GLU A 16 -2.494 -1.694 -2.779 1.00 0.00 C ATOM 251 CD GLU A 16 -2.232 -1.473 -1.301 1.00 0.00 C ATOM 252 OE1 GLU A 16 -3.010 -1.985 -0.471 1.00 0.00 O ATOM 253 OE2 GLU A 16 -1.254 -0.761 -0.964 1.00 0.00 O1- ATOM 0 H GLU A 16 -2.482 -5.426 -4.189 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.610 -3.544 -3.001 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.955 -3.213 -4.225 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.596 -3.531 -2.626 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.649 -1.308 -3.349 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.369 -1.114 -3.073 1.00 0.00 H new ATOM 260 N VAL A 17 -0.613 -4.309 -0.653 1.00 0.00 N ATOM 261 CA VAL A 17 -0.550 -4.752 0.729 1.00 0.00 C ATOM 262 C VAL A 17 -0.201 -3.592 1.641 1.00 0.00 C ATOM 263 O VAL A 17 0.360 -2.587 1.197 1.00 0.00 O ATOM 264 CB VAL A 17 0.506 -5.872 0.929 1.00 0.00 C ATOM 265 CG1 VAL A 17 0.182 -7.078 0.077 1.00 0.00 C ATOM 266 CG2 VAL A 17 1.907 -5.360 0.620 1.00 0.00 C ATOM 0 H VAL A 17 0.177 -3.732 -0.943 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.534 -5.148 0.980 1.00 0.00 H new ATOM 0 HB VAL A 17 0.477 -6.176 1.975 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.937 -7.849 0.235 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -0.798 -7.467 0.355 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.173 -6.789 -0.974 1.00 0.00 H new ATOM 0 HG21 VAL A 17 2.629 -6.163 0.768 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.950 -5.019 -0.414 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.146 -4.531 1.285 1.00 0.00 H new ATOM 276 N ASP A 18 -0.519 -3.730 2.906 1.00 0.00 N ATOM 277 CA ASP A 18 -0.198 -2.706 3.874 1.00 0.00 C ATOM 278 C ASP A 18 1.186 -2.946 4.426 1.00 0.00 C ATOM 279 O ASP A 18 1.723 -4.041 4.306 1.00 0.00 O ATOM 280 CB ASP A 18 -1.227 -2.669 5.008 1.00 0.00 C ATOM 281 CG ASP A 18 -2.518 -1.990 4.604 1.00 0.00 C ATOM 282 OD1 ASP A 18 -3.439 -2.683 4.121 1.00 0.00 O ATOM 283 OD2 ASP A 18 -2.618 -0.754 4.771 1.00 0.00 O1- ATOM 0 H ASP A 18 -1.001 -4.543 3.291 1.00 0.00 H new ATOM 0 HA ASP A 18 -0.225 -1.738 3.373 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -1.443 -3.688 5.331 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -0.799 -2.147 5.864 1.00 0.00 H new ATOM 288 N SER A 19 1.759 -1.941 5.034 1.00 0.00 N ATOM 289 CA SER A 19 3.099 -2.046 5.572 1.00 0.00 C ATOM 290 C SER A 19 3.153 -3.029 6.738 1.00 0.00 C ATOM 291 O SER A 19 4.177 -3.674 6.976 1.00 0.00 O ATOM 292 CB SER A 19 3.586 -0.669 6.003 1.00 0.00 C ATOM 293 OG SER A 19 3.411 0.265 4.947 1.00 0.00 O ATOM 0 H SER A 19 1.318 -1.031 5.172 1.00 0.00 H new ATOM 0 HA SER A 19 3.757 -2.430 4.793 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.036 -0.340 6.884 1.00 0.00 H new ATOM 0 HB3 SER A 19 4.638 -0.719 6.284 1.00 0.00 H new ATOM 0 HG SER A 19 3.726 1.147 5.235 1.00 0.00 H new ATOM 299 N ASP A 20 2.032 -3.167 7.435 1.00 0.00 N ATOM 300 CA ASP A 20 1.959 -4.049 8.592 1.00 0.00 C ATOM 301 C ASP A 20 1.478 -5.434 8.212 1.00 0.00 C ATOM 302 O ASP A 20 1.270 -6.280 9.082 1.00 0.00 O ATOM 303 CB ASP A 20 1.049 -3.466 9.669 1.00 0.00 C ATOM 304 CG ASP A 20 1.528 -2.134 10.171 1.00 0.00 C ATOM 305 OD1 ASP A 20 2.509 -2.099 10.943 1.00 0.00 O ATOM 306 OD2 ASP A 20 0.932 -1.103 9.788 1.00 0.00 O1- ATOM 0 H ASP A 20 1.162 -2.680 7.219 1.00 0.00 H new ATOM 0 HA ASP A 20 2.970 -4.135 8.989 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.041 -3.358 9.268 1.00 0.00 H new ATOM 0 HB3 ASP A 20 0.987 -4.164 10.504 1.00 0.00 H new ATOM 311 N THR A 21 1.285 -5.670 6.924 1.00 0.00 N ATOM 312 CA THR A 21 0.868 -6.973 6.463 1.00 0.00 C ATOM 313 C THR A 21 1.995 -7.974 6.690 1.00 0.00 C ATOM 314 O THR A 21 3.068 -7.850 6.111 1.00 0.00 O ATOM 315 CB THR A 21 0.489 -6.946 4.965 1.00 0.00 C ATOM 316 OG1 THR A 21 -0.539 -5.968 4.745 1.00 0.00 O ATOM 317 CG2 THR A 21 -0.009 -8.310 4.501 1.00 0.00 C ATOM 0 H THR A 21 1.411 -4.976 6.187 1.00 0.00 H new ATOM 0 HA THR A 21 -0.015 -7.270 7.028 1.00 0.00 H new ATOM 0 HB THR A 21 1.380 -6.688 4.393 1.00 0.00 H new ATOM 0 HG1 THR A 21 -1.190 -6.317 4.101 1.00 0.00 H new ATOM 0 HG21 THR A 21 -0.269 -8.262 3.443 1.00 0.00 H new ATOM 0 HG22 THR A 21 0.775 -9.053 4.649 1.00 0.00 H new ATOM 0 HG23 THR A 21 -0.890 -8.592 5.078 1.00 0.00 H new ATOM 325 N SER A 22 1.760 -8.929 7.562 1.00 0.00 N ATOM 326 CA SER A 22 2.754 -9.927 7.871 1.00 0.00 C ATOM 327 C SER A 22 2.956 -10.867 6.684 1.00 0.00 C ATOM 328 O SER A 22 2.037 -11.077 5.890 1.00 0.00 O ATOM 329 CB SER A 22 2.330 -10.704 9.110 1.00 0.00 C ATOM 330 OG SER A 22 1.976 -9.814 10.160 1.00 0.00 O ATOM 0 H SER A 22 0.883 -9.034 8.072 1.00 0.00 H new ATOM 0 HA SER A 22 3.705 -9.434 8.073 1.00 0.00 H new ATOM 0 HB2 SER A 22 1.484 -11.348 8.871 1.00 0.00 H new ATOM 0 HB3 SER A 22 3.143 -11.354 9.435 1.00 0.00 H new ATOM 0 HG SER A 22 1.704 -10.329 10.948 1.00 0.00 H new ATOM 336 N ILE A 23 4.159 -11.416 6.563 1.00 0.00 N ATOM 337 CA ILE A 23 4.491 -12.326 5.462 1.00 0.00 C ATOM 338 C ILE A 23 3.512 -13.499 5.391 1.00 0.00 C ATOM 339 O ILE A 23 3.038 -13.857 4.311 1.00 0.00 O ATOM 340 CB ILE A 23 5.939 -12.862 5.583 1.00 0.00 C ATOM 341 CG1 ILE A 23 6.937 -11.696 5.645 1.00 0.00 C ATOM 342 CG2 ILE A 23 6.276 -13.795 4.420 1.00 0.00 C ATOM 343 CD1 ILE A 23 6.873 -10.767 4.448 1.00 0.00 C ATOM 0 H ILE A 23 4.926 -11.249 7.214 1.00 0.00 H new ATOM 0 HA ILE A 23 4.410 -11.747 4.542 1.00 0.00 H new ATOM 0 HB ILE A 23 6.014 -13.435 6.507 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.750 -11.119 6.551 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.947 -12.099 5.726 1.00 0.00 H new ATOM 0 HG21 ILE A 23 7.298 -14.157 4.529 1.00 0.00 H new ATOM 0 HG22 ILE A 23 5.589 -14.641 4.421 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.182 -13.253 3.479 1.00 0.00 H new ATOM 0 HD11 ILE A 23 7.607 -9.970 4.566 1.00 0.00 H new ATOM 0 HD12 ILE A 23 7.090 -11.329 3.539 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.875 -10.333 4.377 1.00 0.00 H new ATOM 355 N PHE A 24 3.194 -14.088 6.543 1.00 0.00 N ATOM 356 CA PHE A 24 2.249 -15.195 6.580 1.00 0.00 C ATOM 357 C PHE A 24 0.865 -14.722 6.156 1.00 0.00 C ATOM 358 O PHE A 24 0.159 -15.419 5.433 1.00 0.00 O ATOM 359 CB PHE A 24 2.198 -15.834 7.968 1.00 0.00 C ATOM 360 CG PHE A 24 1.335 -17.066 8.041 1.00 0.00 C ATOM 361 CD1 PHE A 24 1.549 -18.132 7.179 1.00 0.00 C ATOM 362 CD2 PHE A 24 0.311 -17.159 8.969 1.00 0.00 C ATOM 363 CE1 PHE A 24 0.759 -19.263 7.244 1.00 0.00 C ATOM 364 CE2 PHE A 24 -0.482 -18.289 9.037 1.00 0.00 C ATOM 365 CZ PHE A 24 -0.257 -19.340 8.173 1.00 0.00 C ATOM 0 H PHE A 24 3.573 -13.819 7.451 1.00 0.00 H new ATOM 0 HA PHE A 24 2.590 -15.955 5.877 1.00 0.00 H new ATOM 0 HB2 PHE A 24 3.211 -16.093 8.275 1.00 0.00 H new ATOM 0 HB3 PHE A 24 1.826 -15.099 8.682 1.00 0.00 H new ATOM 0 HD1 PHE A 24 2.343 -18.077 6.449 1.00 0.00 H new ATOM 0 HD2 PHE A 24 0.130 -16.339 9.648 1.00 0.00 H new ATOM 0 HE1 PHE A 24 0.937 -20.086 6.568 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -1.277 -18.349 9.766 1.00 0.00 H new ATOM 0 HZ PHE A 24 -0.876 -20.223 8.224 1.00 0.00 H new ATOM 375 N GLN A 25 0.492 -13.520 6.595 1.00 0.00 N ATOM 376 CA GLN A 25 -0.787 -12.934 6.217 1.00 0.00 C ATOM 377 C GLN A 25 -0.851 -12.744 4.714 1.00 0.00 C ATOM 378 O GLN A 25 -1.873 -13.019 4.096 1.00 0.00 O ATOM 379 CB GLN A 25 -1.013 -11.599 6.923 1.00 0.00 C ATOM 380 CG GLN A 25 -1.237 -11.720 8.416 1.00 0.00 C ATOM 381 CD GLN A 25 -1.449 -10.378 9.083 1.00 0.00 C ATOM 382 OE1 GLN A 25 -0.917 -9.358 8.636 1.00 0.00 O ATOM 383 NE2 GLN A 25 -2.230 -10.365 10.144 1.00 0.00 N ATOM 0 H GLN A 25 1.058 -12.937 7.211 1.00 0.00 H new ATOM 0 HA GLN A 25 -1.576 -13.619 6.526 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -0.151 -10.956 6.747 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -1.876 -11.105 6.476 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -2.105 -12.354 8.599 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -0.379 -12.216 8.870 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -2.649 -11.232 10.479 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -2.415 -9.488 10.630 1.00 0.00 H new ATOM 392 N LEU A 26 0.253 -12.275 4.131 1.00 0.00 N ATOM 393 CA LEU A 26 0.339 -12.090 2.686 1.00 0.00 C ATOM 394 C LEU A 26 0.228 -13.434 1.975 1.00 0.00 C ATOM 395 O LEU A 26 -0.421 -13.544 0.932 1.00 0.00 O ATOM 396 CB LEU A 26 1.643 -11.380 2.300 1.00 0.00 C ATOM 397 CG LEU A 26 1.902 -11.237 0.794 1.00 0.00 C ATOM 398 CD1 LEU A 26 0.730 -10.556 0.104 1.00 0.00 C ATOM 399 CD2 LEU A 26 3.183 -10.467 0.545 1.00 0.00 C ATOM 0 H LEU A 26 1.099 -12.017 4.639 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.492 -11.459 2.371 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.639 -10.385 2.745 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.477 -11.925 2.743 1.00 0.00 H new ATOM 0 HG LEU A 26 2.011 -12.237 0.373 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.938 -10.466 -0.962 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.173 -11.150 0.249 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.584 -9.563 0.530 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.350 -10.376 -0.528 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.102 -9.473 0.985 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.020 -10.997 0.999 1.00 0.00 H new ATOM 411 N LYS A 27 0.862 -14.453 2.550 1.00 0.00 N ATOM 412 CA LYS A 27 0.769 -15.808 2.024 1.00 0.00 C ATOM 413 C LYS A 27 -0.697 -16.222 1.972 1.00 0.00 C ATOM 414 O LYS A 27 -1.179 -16.748 0.969 1.00 0.00 O ATOM 415 CB LYS A 27 1.550 -16.782 2.921 1.00 0.00 C ATOM 416 CG LYS A 27 1.551 -18.226 2.420 1.00 0.00 C ATOM 417 CD LYS A 27 2.298 -19.170 3.367 1.00 0.00 C ATOM 418 CE LYS A 27 3.799 -18.892 3.391 1.00 0.00 C ATOM 419 NZ LYS A 27 4.529 -19.879 4.232 1.00 0.00 N1+ ATOM 0 H LYS A 27 1.446 -14.363 3.381 1.00 0.00 H new ATOM 0 HA LYS A 27 1.198 -15.836 1.022 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.580 -16.436 3.004 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.124 -16.757 3.924 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.523 -18.569 2.305 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.012 -18.265 1.433 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.895 -19.066 4.374 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.126 -20.202 3.060 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.191 -18.920 2.374 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.977 -17.887 3.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.497 -19.995 3.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.565 -19.539 5.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.036 -20.794 4.200 1.00 0.00 H new ATOM 433 N GLU A 28 -1.398 -15.944 3.060 1.00 0.00 N ATOM 434 CA GLU A 28 -2.808 -16.244 3.180 1.00 0.00 C ATOM 435 C GLU A 28 -3.641 -15.398 2.204 1.00 0.00 C ATOM 436 O GLU A 28 -4.686 -15.837 1.732 1.00 0.00 O ATOM 437 CB GLU A 28 -3.257 -16.007 4.615 1.00 0.00 C ATOM 438 CG GLU A 28 -2.612 -16.941 5.625 1.00 0.00 C ATOM 439 CD GLU A 28 -3.067 -16.671 7.043 1.00 0.00 C ATOM 440 OE1 GLU A 28 -3.940 -17.413 7.543 1.00 0.00 O ATOM 441 OE2 GLU A 28 -2.565 -15.713 7.661 1.00 0.00 O1- ATOM 0 H GLU A 28 -0.998 -15.501 3.887 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.966 -17.291 2.922 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -3.030 -14.977 4.891 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -4.340 -16.120 4.670 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -2.847 -17.972 5.362 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.528 -16.837 5.569 1.00 0.00 H new ATOM 448 N VAL A 29 -3.168 -14.181 1.911 1.00 0.00 N ATOM 449 CA VAL A 29 -3.842 -13.292 0.960 1.00 0.00 C ATOM 450 C VAL A 29 -3.791 -13.886 -0.443 1.00 0.00 C ATOM 451 O VAL A 29 -4.812 -13.986 -1.126 1.00 0.00 O ATOM 452 CB VAL A 29 -3.207 -11.870 0.939 1.00 0.00 C ATOM 453 CG1 VAL A 29 -3.760 -11.040 -0.212 1.00 0.00 C ATOM 454 CG2 VAL A 29 -3.450 -11.156 2.257 1.00 0.00 C ATOM 0 H VAL A 29 -2.320 -13.790 2.320 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.877 -13.197 1.288 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.133 -11.988 0.794 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.299 -10.052 -0.202 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.538 -11.535 -1.157 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -4.840 -10.938 -0.101 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.999 -10.164 2.222 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.522 -11.061 2.427 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.003 -11.730 3.069 1.00 0.00 H new ATOM 464 N VAL A 30 -2.599 -14.286 -0.864 1.00 0.00 N ATOM 465 CA VAL A 30 -2.418 -14.894 -2.174 1.00 0.00 C ATOM 466 C VAL A 30 -3.190 -16.207 -2.245 1.00 0.00 C ATOM 467 O VAL A 30 -3.812 -16.529 -3.268 1.00 0.00 O ATOM 468 CB VAL A 30 -0.924 -15.144 -2.481 1.00 0.00 C ATOM 469 CG1 VAL A 30 -0.749 -15.767 -3.864 1.00 0.00 C ATOM 470 CG2 VAL A 30 -0.139 -13.844 -2.379 1.00 0.00 C ATOM 0 H VAL A 30 -1.743 -14.200 -0.317 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.802 -14.202 -2.923 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.536 -15.845 -1.742 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.311 -15.933 -4.057 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.279 -16.719 -3.904 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.154 -15.094 -4.620 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.912 -14.035 -2.598 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.534 -13.124 -3.096 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.232 -13.441 -1.371 1.00 0.00 H new ATOM 480 N ALA A 31 -3.167 -16.950 -1.142 1.00 0.00 N ATOM 481 CA ALA A 31 -3.896 -18.200 -1.039 1.00 0.00 C ATOM 482 C ALA A 31 -5.391 -17.957 -1.197 1.00 0.00 C ATOM 483 O ALA A 31 -6.095 -18.741 -1.825 1.00 0.00 O ATOM 484 CB ALA A 31 -3.604 -18.874 0.292 1.00 0.00 C ATOM 0 H ALA A 31 -2.645 -16.700 -0.302 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.567 -18.861 -1.841 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.158 -19.811 0.355 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.536 -19.078 0.370 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.908 -18.217 1.107 1.00 0.00 H new ATOM 490 N LYS A 32 -5.853 -16.856 -0.637 1.00 0.00 N ATOM 491 CA LYS A 32 -7.247 -16.459 -0.716 1.00 0.00 C ATOM 492 C LYS A 32 -7.613 -16.056 -2.145 1.00 0.00 C ATOM 493 O LYS A 32 -8.614 -16.517 -2.699 1.00 0.00 O ATOM 494 CB LYS A 32 -7.483 -15.271 0.226 1.00 0.00 C ATOM 495 CG LYS A 32 -8.849 -14.614 0.098 1.00 0.00 C ATOM 496 CD LYS A 32 -8.831 -13.202 0.675 1.00 0.00 C ATOM 497 CE LYS A 32 -8.542 -13.195 2.171 1.00 0.00 C ATOM 498 NZ LYS A 32 -9.665 -13.752 2.960 1.00 0.00 N1+ ATOM 0 H LYS A 32 -5.268 -16.207 -0.111 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.873 -17.302 -0.422 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -7.354 -15.610 1.254 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -6.716 -14.520 0.039 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.143 -14.579 -0.951 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.596 -15.214 0.618 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -8.076 -12.610 0.158 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -9.793 -12.724 0.490 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -7.640 -13.774 2.368 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -8.343 -12.174 2.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -9.461 -13.650 3.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -10.540 -13.238 2.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -9.784 -14.759 2.731 1.00 0.00 H new ATOM 512 N ARG A 33 -6.773 -15.213 -2.736 1.00 0.00 N ATOM 513 CA ARG A 33 -7.020 -14.650 -4.059 1.00 0.00 C ATOM 514 C ARG A 33 -7.208 -15.732 -5.130 1.00 0.00 C ATOM 515 O ARG A 33 -8.167 -15.684 -5.905 1.00 0.00 O ATOM 516 CB ARG A 33 -5.878 -13.707 -4.458 1.00 0.00 C ATOM 517 CG ARG A 33 -6.267 -12.689 -5.518 1.00 0.00 C ATOM 518 CD ARG A 33 -5.097 -11.790 -5.894 1.00 0.00 C ATOM 519 NE ARG A 33 -5.542 -10.586 -6.604 1.00 0.00 N ATOM 520 CZ ARG A 33 -5.018 -10.125 -7.745 1.00 0.00 C ATOM 521 NH1 ARG A 33 -4.058 -10.794 -8.370 1.00 0.00 N1+ ATOM 522 NH2 ARG A 33 -5.472 -8.996 -8.268 1.00 0.00 N ATOM 0 H ARG A 33 -5.900 -14.900 -2.311 1.00 0.00 H new ATOM 0 HA ARG A 33 -7.952 -14.089 -3.998 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -5.528 -13.179 -3.571 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -5.041 -14.300 -4.827 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -6.627 -13.208 -6.406 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -7.091 -12.078 -5.150 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -4.556 -11.502 -4.993 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -4.399 -12.345 -6.521 1.00 0.00 H new ATOM 0 HE ARG A 33 -6.313 -10.058 -6.195 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -3.711 -11.671 -7.981 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -3.667 -10.432 -9.240 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -6.219 -8.481 -7.801 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -5.075 -8.641 -9.138 1.00 0.00 H new ATOM 536 N GLN A 34 -6.307 -16.707 -5.171 1.00 0.00 N ATOM 537 CA GLN A 34 -6.390 -17.752 -6.191 1.00 0.00 C ATOM 538 C GLN A 34 -6.978 -19.053 -5.649 1.00 0.00 C ATOM 539 O GLN A 34 -7.019 -20.062 -6.357 1.00 0.00 O ATOM 540 CB GLN A 34 -5.032 -17.999 -6.847 1.00 0.00 C ATOM 541 CG GLN A 34 -4.533 -16.812 -7.659 1.00 0.00 C ATOM 542 CD GLN A 34 -3.355 -17.146 -8.558 1.00 0.00 C ATOM 543 OE1 GLN A 34 -3.306 -18.372 -9.051 1.00 0.00 O flip ATOM 544 NE2 GLN A 34 -2.504 -16.296 -8.826 1.00 0.00 N flip ATOM 0 H GLN A 34 -5.524 -16.798 -4.524 1.00 0.00 H new ATOM 0 HA GLN A 34 -7.076 -17.386 -6.954 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -4.300 -18.236 -6.074 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -5.103 -18.871 -7.497 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -5.351 -16.431 -8.271 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -4.245 -16.011 -6.978 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -2.575 -15.360 -8.427 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -1.729 -16.528 -9.447 1.00 0.00 H new ATOM 553 N GLY A 35 -7.436 -19.019 -4.406 1.00 0.00 N ATOM 554 CA GLY A 35 -8.057 -20.185 -3.799 1.00 0.00 C ATOM 555 C GLY A 35 -7.139 -21.392 -3.742 1.00 0.00 C ATOM 556 O GLY A 35 -7.489 -22.472 -4.220 1.00 0.00 O ATOM 0 H GLY A 35 -7.389 -18.199 -3.801 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -8.377 -19.933 -2.788 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.953 -20.445 -4.362 1.00 0.00 H new ATOM 560 N VAL A 36 -5.973 -21.214 -3.158 1.00 0.00 N ATOM 561 CA VAL A 36 -5.004 -22.291 -3.041 1.00 0.00 C ATOM 562 C VAL A 36 -4.717 -22.592 -1.570 1.00 0.00 C ATOM 563 O VAL A 36 -4.852 -21.712 -0.717 1.00 0.00 O ATOM 564 CB VAL A 36 -3.678 -21.962 -3.782 1.00 0.00 C ATOM 565 CG1 VAL A 36 -3.928 -21.795 -5.272 1.00 0.00 C ATOM 566 CG2 VAL A 36 -3.031 -20.712 -3.212 1.00 0.00 C ATOM 0 H VAL A 36 -5.669 -20.329 -2.753 1.00 0.00 H new ATOM 0 HA VAL A 36 -5.440 -23.172 -3.513 1.00 0.00 H new ATOM 0 HB VAL A 36 -2.993 -22.797 -3.634 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.989 -21.565 -5.775 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -4.340 -22.719 -5.678 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -4.635 -20.981 -5.433 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.105 -20.505 -3.748 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -3.711 -19.868 -3.322 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -2.812 -20.865 -2.155 1.00 0.00 H new ATOM 576 N PRO A 37 -4.343 -23.842 -1.248 1.00 0.00 N ATOM 577 CA PRO A 37 -4.040 -24.241 0.131 1.00 0.00 C ATOM 578 C PRO A 37 -2.795 -23.533 0.667 1.00 0.00 C ATOM 579 O PRO A 37 -1.686 -23.762 0.189 1.00 0.00 O ATOM 580 CB PRO A 37 -3.799 -25.753 0.028 1.00 0.00 C ATOM 581 CG PRO A 37 -3.443 -25.990 -1.402 1.00 0.00 C ATOM 582 CD PRO A 37 -4.192 -24.960 -2.196 1.00 0.00 C ATOM 0 HA PRO A 37 -4.843 -23.978 0.820 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -2.996 -26.071 0.693 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -4.689 -26.315 0.312 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -2.368 -25.895 -1.557 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -3.721 -26.998 -1.711 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.640 -24.660 -3.087 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -5.159 -25.336 -2.531 1.00 0.00 H new ATOM 590 N ALA A 38 -2.992 -22.678 1.661 1.00 0.00 N ATOM 591 CA ALA A 38 -1.901 -21.911 2.249 1.00 0.00 C ATOM 592 C ALA A 38 -0.901 -22.815 2.963 1.00 0.00 C ATOM 593 O ALA A 38 0.284 -22.495 3.043 1.00 0.00 O ATOM 594 CB ALA A 38 -2.443 -20.858 3.198 1.00 0.00 C ATOM 0 H ALA A 38 -3.904 -22.497 2.080 1.00 0.00 H new ATOM 0 HA ALA A 38 -1.372 -21.411 1.438 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -1.615 -20.295 3.628 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.099 -20.179 2.652 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.005 -21.342 3.996 1.00 0.00 H new ATOM 600 N ASP A 39 -1.379 -23.951 3.463 1.00 0.00 N ATOM 601 CA ASP A 39 -0.511 -24.919 4.149 1.00 0.00 C ATOM 602 C ASP A 39 0.462 -25.549 3.176 1.00 0.00 C ATOM 603 O ASP A 39 1.508 -26.062 3.568 1.00 0.00 O ATOM 604 CB ASP A 39 -1.332 -26.030 4.814 1.00 0.00 C ATOM 605 CG ASP A 39 -2.178 -25.546 5.961 1.00 0.00 C ATOM 606 OD1 ASP A 39 -1.613 -25.091 6.968 1.00 0.00 O ATOM 607 OD2 ASP A 39 -3.421 -25.639 5.866 1.00 0.00 O1- ATOM 0 H ASP A 39 -2.359 -24.229 3.409 1.00 0.00 H new ATOM 0 HA ASP A 39 0.037 -24.372 4.916 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.977 -26.491 4.066 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.656 -26.805 5.174 1.00 0.00 H new ATOM 612 N GLN A 40 0.107 -25.508 1.906 1.00 0.00 N ATOM 613 CA GLN A 40 0.919 -26.093 0.862 1.00 0.00 C ATOM 614 C GLN A 40 1.465 -25.002 -0.046 1.00 0.00 C ATOM 615 O GLN A 40 1.981 -25.276 -1.132 1.00 0.00 O ATOM 616 CB GLN A 40 0.080 -27.076 0.038 1.00 0.00 C ATOM 617 CG GLN A 40 -0.630 -28.149 0.863 1.00 0.00 C ATOM 618 CD GLN A 40 0.318 -29.155 1.500 1.00 0.00 C ATOM 619 OE1 GLN A 40 1.463 -28.840 1.834 1.00 0.00 O ATOM 620 NE2 GLN A 40 -0.153 -30.376 1.664 1.00 0.00 N ATOM 0 H GLN A 40 -0.751 -25.069 1.572 1.00 0.00 H new ATOM 0 HA GLN A 40 1.752 -26.627 1.320 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -0.666 -26.515 -0.524 1.00 0.00 H new ATOM 0 HB3 GLN A 40 0.727 -27.565 -0.691 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -1.214 -27.666 1.647 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -1.334 -28.681 0.223 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -1.106 -30.598 1.375 1.00 0.00 H new ATOM 0 HE22 GLN A 40 0.435 -31.098 2.080 1.00 0.00 H new ATOM 629 N LEU A 41 1.354 -23.767 0.403 1.00 0.00 N ATOM 630 CA LEU A 41 1.799 -22.638 -0.381 1.00 0.00 C ATOM 631 C LEU A 41 3.232 -22.266 -0.026 1.00 0.00 C ATOM 632 O LEU A 41 3.574 -22.099 1.148 1.00 0.00 O ATOM 633 CB LEU A 41 0.861 -21.444 -0.187 1.00 0.00 C ATOM 634 CG LEU A 41 1.077 -20.273 -1.140 1.00 0.00 C ATOM 635 CD1 LEU A 41 0.922 -20.727 -2.581 1.00 0.00 C ATOM 636 CD2 LEU A 41 0.102 -19.151 -0.836 1.00 0.00 C ATOM 0 H LEU A 41 0.958 -23.522 1.310 1.00 0.00 H new ATOM 0 HA LEU A 41 1.775 -22.921 -1.433 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.167 -21.791 -0.294 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.970 -21.082 0.835 1.00 0.00 H new ATOM 0 HG LEU A 41 2.091 -19.899 -0.999 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.079 -19.880 -3.248 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.657 -21.502 -2.799 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.081 -21.126 -2.731 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.272 -18.325 -1.526 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.919 -19.515 -0.950 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.252 -18.806 0.187 1.00 0.00 H new ATOM 648 N ARG A 42 4.056 -22.137 -1.042 1.00 0.00 N ATOM 649 CA ARG A 42 5.462 -21.835 -0.874 1.00 0.00 C ATOM 650 C ARG A 42 5.793 -20.475 -1.482 1.00 0.00 C ATOM 651 O ARG A 42 5.560 -20.243 -2.669 1.00 0.00 O ATOM 652 CB ARG A 42 6.287 -22.938 -1.550 1.00 0.00 C ATOM 653 CG ARG A 42 7.786 -22.695 -1.607 1.00 0.00 C ATOM 654 CD ARG A 42 8.417 -22.668 -0.229 1.00 0.00 C ATOM 655 NE ARG A 42 9.839 -23.006 -0.292 1.00 0.00 N ATOM 656 CZ ARG A 42 10.674 -22.981 0.745 1.00 0.00 C ATOM 657 NH1 ARG A 42 10.271 -22.531 1.924 1.00 0.00 N1+ ATOM 658 NH2 ARG A 42 11.927 -23.390 0.591 1.00 0.00 N ATOM 0 H ARG A 42 3.768 -22.239 -2.015 1.00 0.00 H new ATOM 0 HA ARG A 42 5.703 -21.795 0.188 1.00 0.00 H new ATOM 0 HB2 ARG A 42 6.109 -23.875 -1.023 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.919 -23.070 -2.568 1.00 0.00 H new ATOM 0 HG2 ARG A 42 8.256 -23.476 -2.204 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.979 -21.748 -2.111 1.00 0.00 H new ATOM 0 HD2 ARG A 42 8.295 -21.678 0.211 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.902 -23.372 0.424 1.00 0.00 H new ATOM 0 HE ARG A 42 10.219 -23.281 -1.198 1.00 0.00 H new ATOM 0 HH11 ARG A 42 9.314 -22.200 2.043 1.00 0.00 H new ATOM 0 HH12 ARG A 42 10.918 -22.516 2.712 1.00 0.00 H new ATOM 0 HH21 ARG A 42 12.247 -23.722 -0.319 1.00 0.00 H new ATOM 0 HH22 ARG A 42 12.570 -23.373 1.383 1.00 0.00 H new ATOM 672 N VAL A 43 6.324 -19.581 -0.670 1.00 0.00 N ATOM 673 CA VAL A 43 6.705 -18.268 -1.149 1.00 0.00 C ATOM 674 C VAL A 43 8.226 -18.146 -1.184 1.00 0.00 C ATOM 675 O VAL A 43 8.913 -18.569 -0.256 1.00 0.00 O ATOM 676 CB VAL A 43 6.079 -17.117 -0.301 1.00 0.00 C ATOM 677 CG1 VAL A 43 4.561 -17.221 -0.293 1.00 0.00 C ATOM 678 CG2 VAL A 43 6.615 -17.114 1.123 1.00 0.00 C ATOM 0 H VAL A 43 6.501 -19.740 0.322 1.00 0.00 H new ATOM 0 HA VAL A 43 6.310 -18.162 -2.160 1.00 0.00 H new ATOM 0 HB VAL A 43 6.365 -16.174 -0.767 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.144 -16.410 0.303 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.186 -17.151 -1.314 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.264 -18.177 0.137 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.156 -16.299 1.683 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.377 -18.063 1.603 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.696 -16.978 1.104 1.00 0.00 H new ATOM 688 N ILE A 44 8.744 -17.604 -2.263 1.00 0.00 N ATOM 689 CA ILE A 44 10.176 -17.482 -2.441 1.00 0.00 C ATOM 690 C ILE A 44 10.595 -16.032 -2.651 1.00 0.00 C ATOM 691 O ILE A 44 10.072 -15.333 -3.527 1.00 0.00 O ATOM 692 CB ILE A 44 10.667 -18.341 -3.638 1.00 0.00 C ATOM 693 CG1 ILE A 44 10.435 -19.838 -3.367 1.00 0.00 C ATOM 694 CG2 ILE A 44 12.136 -18.071 -3.949 1.00 0.00 C ATOM 695 CD1 ILE A 44 11.211 -20.378 -2.178 1.00 0.00 C ATOM 0 H ILE A 44 8.191 -17.237 -3.037 1.00 0.00 H new ATOM 0 HA ILE A 44 10.640 -17.848 -1.525 1.00 0.00 H new ATOM 0 HB ILE A 44 10.083 -18.055 -4.513 1.00 0.00 H new ATOM 0 HG12 ILE A 44 9.371 -20.006 -3.200 1.00 0.00 H new ATOM 0 HG13 ILE A 44 10.711 -20.405 -4.256 1.00 0.00 H new ATOM 0 HG21 ILE A 44 12.449 -18.688 -4.792 1.00 0.00 H new ATOM 0 HG22 ILE A 44 12.267 -17.019 -4.201 1.00 0.00 H new ATOM 0 HG23 ILE A 44 12.743 -18.313 -3.077 1.00 0.00 H new ATOM 0 HD11 ILE A 44 10.994 -21.439 -2.053 1.00 0.00 H new ATOM 0 HD12 ILE A 44 12.279 -20.244 -2.349 1.00 0.00 H new ATOM 0 HD13 ILE A 44 10.918 -19.839 -1.277 1.00 0.00 H new ATOM 707 N PHE A 45 11.529 -15.594 -1.835 1.00 0.00 N ATOM 708 CA PHE A 45 12.091 -14.268 -1.926 1.00 0.00 C ATOM 709 C PHE A 45 13.601 -14.371 -1.799 1.00 0.00 C ATOM 710 O PHE A 45 14.111 -14.858 -0.785 1.00 0.00 O ATOM 711 CB PHE A 45 11.512 -13.370 -0.829 1.00 0.00 C ATOM 712 CG PHE A 45 12.105 -11.984 -0.777 1.00 0.00 C ATOM 713 CD1 PHE A 45 11.555 -10.952 -1.518 1.00 0.00 C ATOM 714 CD2 PHE A 45 13.209 -11.717 0.019 1.00 0.00 C ATOM 715 CE1 PHE A 45 12.094 -9.681 -1.462 1.00 0.00 C ATOM 716 CE2 PHE A 45 13.752 -10.452 0.077 1.00 0.00 C ATOM 717 CZ PHE A 45 13.194 -9.433 -0.663 1.00 0.00 C ATOM 0 H PHE A 45 11.923 -16.157 -1.081 1.00 0.00 H new ATOM 0 HA PHE A 45 11.838 -13.822 -2.888 1.00 0.00 H new ATOM 0 HB2 PHE A 45 10.435 -13.285 -0.977 1.00 0.00 H new ATOM 0 HB3 PHE A 45 11.664 -13.853 0.136 1.00 0.00 H new ATOM 0 HD1 PHE A 45 10.697 -11.142 -2.146 1.00 0.00 H new ATOM 0 HD2 PHE A 45 13.650 -12.512 0.602 1.00 0.00 H new ATOM 0 HE1 PHE A 45 11.656 -8.882 -2.042 1.00 0.00 H new ATOM 0 HE2 PHE A 45 14.612 -10.260 0.701 1.00 0.00 H new ATOM 0 HZ PHE A 45 13.616 -8.440 -0.619 1.00 0.00 H new ATOM 727 N ALA A 46 14.310 -13.948 -2.844 1.00 0.00 N ATOM 728 CA ALA A 46 15.777 -14.020 -2.892 1.00 0.00 C ATOM 729 C ALA A 46 16.268 -15.473 -2.852 1.00 0.00 C ATOM 730 O ALA A 46 17.454 -15.735 -2.640 1.00 0.00 O ATOM 731 CB ALA A 46 16.402 -13.204 -1.760 1.00 0.00 C ATOM 0 H ALA A 46 13.889 -13.546 -3.682 1.00 0.00 H new ATOM 0 HA ALA A 46 16.097 -13.588 -3.840 1.00 0.00 H new ATOM 0 HB1 ALA A 46 17.488 -13.274 -1.818 1.00 0.00 H new ATOM 0 HB2 ALA A 46 16.100 -12.161 -1.854 1.00 0.00 H new ATOM 0 HB3 ALA A 46 16.064 -13.595 -0.800 1.00 0.00 H new ATOM 737 N GLY A 47 15.351 -16.410 -3.060 1.00 0.00 N ATOM 738 CA GLY A 47 15.705 -17.815 -3.064 1.00 0.00 C ATOM 739 C GLY A 47 15.154 -18.566 -1.863 1.00 0.00 C ATOM 740 O GLY A 47 14.883 -19.764 -1.941 1.00 0.00 O ATOM 0 H GLY A 47 14.363 -16.219 -3.227 1.00 0.00 H new ATOM 0 HA2 GLY A 47 15.331 -18.276 -3.978 1.00 0.00 H new ATOM 0 HA3 GLY A 47 16.791 -17.911 -3.080 1.00 0.00 H new ATOM 744 N LYS A 48 14.968 -17.864 -0.761 1.00 0.00 N ATOM 745 CA LYS A 48 14.491 -18.484 0.469 1.00 0.00 C ATOM 746 C LYS A 48 13.105 -17.975 0.846 1.00 0.00 C ATOM 747 O LYS A 48 12.598 -17.032 0.241 1.00 0.00 O ATOM 748 CB LYS A 48 15.503 -18.242 1.614 1.00 0.00 C ATOM 749 CG LYS A 48 15.971 -16.787 1.764 1.00 0.00 C ATOM 750 CD LYS A 48 14.929 -15.907 2.440 1.00 0.00 C ATOM 751 CE LYS A 48 15.337 -14.441 2.408 1.00 0.00 C ATOM 752 NZ LYS A 48 16.638 -14.203 3.079 1.00 0.00 N1+ ATOM 0 H LYS A 48 15.139 -16.861 -0.689 1.00 0.00 H new ATOM 0 HA LYS A 48 14.407 -19.558 0.301 1.00 0.00 H new ATOM 0 HB2 LYS A 48 15.051 -18.562 2.553 1.00 0.00 H new ATOM 0 HB3 LYS A 48 16.375 -18.874 1.448 1.00 0.00 H new ATOM 0 HG2 LYS A 48 16.894 -16.763 2.344 1.00 0.00 H new ATOM 0 HG3 LYS A 48 16.203 -16.380 0.780 1.00 0.00 H new ATOM 0 HD2 LYS A 48 13.968 -16.030 1.941 1.00 0.00 H new ATOM 0 HD3 LYS A 48 14.795 -16.227 3.473 1.00 0.00 H new ATOM 0 HE2 LYS A 48 15.398 -14.106 1.373 1.00 0.00 H new ATOM 0 HE3 LYS A 48 14.566 -13.841 2.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 16.809 -13.180 3.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 16.619 -14.619 4.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 17.400 -14.643 2.525 1.00 0.00 H new ATOM 766 N GLU A 49 12.493 -18.608 1.830 1.00 0.00 N ATOM 767 CA GLU A 49 11.197 -18.173 2.307 1.00 0.00 C ATOM 768 C GLU A 49 11.384 -17.214 3.469 1.00 0.00 C ATOM 769 O GLU A 49 12.272 -17.403 4.304 1.00 0.00 O ATOM 770 CB GLU A 49 10.328 -19.363 2.724 1.00 0.00 C ATOM 771 CG GLU A 49 8.890 -18.977 3.024 1.00 0.00 C ATOM 772 CD GLU A 49 7.989 -20.161 3.285 1.00 0.00 C ATOM 773 OE1 GLU A 49 7.209 -20.112 4.257 1.00 0.00 O ATOM 774 OE2 GLU A 49 8.045 -21.141 2.514 1.00 0.00 O1- ATOM 0 H GLU A 49 12.873 -19.423 2.312 1.00 0.00 H new ATOM 0 HA GLU A 49 10.680 -17.662 1.495 1.00 0.00 H new ATOM 0 HB2 GLU A 49 10.339 -20.109 1.929 1.00 0.00 H new ATOM 0 HB3 GLU A 49 10.764 -19.831 3.607 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.873 -18.319 3.893 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.493 -18.407 2.184 1.00 0.00 H new ATOM 781 N LEU A 50 10.561 -16.190 3.518 1.00 0.00 N ATOM 782 CA LEU A 50 10.672 -15.176 4.551 1.00 0.00 C ATOM 783 C LEU A 50 10.038 -15.626 5.847 1.00 0.00 C ATOM 784 O LEU A 50 9.201 -16.536 5.864 1.00 0.00 O ATOM 785 CB LEU A 50 10.023 -13.879 4.092 1.00 0.00 C ATOM 786 CG LEU A 50 10.629 -13.244 2.858 1.00 0.00 C ATOM 787 CD1 LEU A 50 9.870 -11.994 2.480 1.00 0.00 C ATOM 788 CD2 LEU A 50 12.098 -12.937 3.083 1.00 0.00 C ATOM 0 H LEU A 50 9.803 -16.034 2.853 1.00 0.00 H new ATOM 0 HA LEU A 50 11.734 -15.011 4.730 1.00 0.00 H new ATOM 0 HB2 LEU A 50 8.967 -14.071 3.899 1.00 0.00 H new ATOM 0 HB3 LEU A 50 10.072 -13.160 4.910 1.00 0.00 H new ATOM 0 HG LEU A 50 10.553 -13.951 2.032 1.00 0.00 H new ATOM 0 HD11 LEU A 50 10.319 -11.551 1.591 1.00 0.00 H new ATOM 0 HD12 LEU A 50 8.830 -12.248 2.273 1.00 0.00 H new ATOM 0 HD13 LEU A 50 9.912 -11.280 3.303 1.00 0.00 H new ATOM 0 HD21 LEU A 50 12.516 -12.481 2.185 1.00 0.00 H new ATOM 0 HD22 LEU A 50 12.202 -12.248 3.922 1.00 0.00 H new ATOM 0 HD23 LEU A 50 12.633 -13.861 3.304 1.00 0.00 H new ATOM 800 N ARG A 51 10.453 -14.984 6.932 1.00 0.00 N ATOM 801 CA ARG A 51 9.896 -15.246 8.245 1.00 0.00 C ATOM 802 C ARG A 51 8.380 -15.026 8.219 1.00 0.00 C ATOM 803 O ARG A 51 7.896 -14.061 7.632 1.00 0.00 O ATOM 804 CB ARG A 51 10.566 -14.349 9.313 1.00 0.00 C ATOM 805 CG ARG A 51 10.195 -12.863 9.245 1.00 0.00 C ATOM 806 CD ARG A 51 10.813 -12.149 8.043 1.00 0.00 C ATOM 807 NE ARG A 51 12.275 -12.096 8.119 1.00 0.00 N ATOM 808 CZ ARG A 51 13.042 -11.238 7.429 1.00 0.00 C ATOM 809 NH1 ARG A 51 12.488 -10.350 6.613 1.00 0.00 N1+ ATOM 810 NH2 ARG A 51 14.361 -11.267 7.564 1.00 0.00 N ATOM 0 H ARG A 51 11.182 -14.271 6.923 1.00 0.00 H new ATOM 0 HA ARG A 51 10.094 -16.284 8.512 1.00 0.00 H new ATOM 0 HB2 ARG A 51 10.302 -14.728 10.300 1.00 0.00 H new ATOM 0 HB3 ARG A 51 11.648 -14.442 9.215 1.00 0.00 H new ATOM 0 HG2 ARG A 51 9.110 -12.766 9.200 1.00 0.00 H new ATOM 0 HG3 ARG A 51 10.521 -12.370 10.161 1.00 0.00 H new ATOM 0 HD2 ARG A 51 10.517 -12.661 7.127 1.00 0.00 H new ATOM 0 HD3 ARG A 51 10.418 -11.135 7.983 1.00 0.00 H new ATOM 0 HE ARG A 51 12.742 -12.757 8.739 1.00 0.00 H new ATOM 0 HH11 ARG A 51 11.474 -10.317 6.508 1.00 0.00 H new ATOM 0 HH12 ARG A 51 13.076 -9.700 6.091 1.00 0.00 H new ATOM 0 HH21 ARG A 51 14.795 -11.943 8.193 1.00 0.00 H new ATOM 0 HH22 ARG A 51 14.942 -10.614 7.038 1.00 0.00 H new ATOM 824 N ASN A 52 7.645 -15.920 8.847 1.00 0.00 N ATOM 825 CA ASN A 52 6.182 -15.868 8.819 1.00 0.00 C ATOM 826 C ASN A 52 5.615 -14.710 9.649 1.00 0.00 C ATOM 827 O ASN A 52 4.490 -14.269 9.417 1.00 0.00 O ATOM 828 CB ASN A 52 5.574 -17.204 9.291 1.00 0.00 C ATOM 829 CG ASN A 52 5.832 -17.502 10.761 1.00 0.00 C ATOM 830 OD1 ASN A 52 6.869 -17.135 11.314 1.00 0.00 O ATOM 831 ND2 ASN A 52 4.886 -18.161 11.402 1.00 0.00 N ATOM 0 H ASN A 52 8.029 -16.696 9.386 1.00 0.00 H new ATOM 0 HA ASN A 52 5.900 -15.692 7.781 1.00 0.00 H new ATOM 0 HB2 ASN A 52 4.498 -17.187 9.115 1.00 0.00 H new ATOM 0 HB3 ASN A 52 5.983 -18.014 8.687 1.00 0.00 H new ATOM 0 HD21 ASN A 52 5.000 -18.383 12.391 1.00 0.00 H new ATOM 0 HD22 ASN A 52 4.041 -18.448 10.909 1.00 0.00 H new ATOM 838 N ASP A 53 6.388 -14.198 10.587 1.00 0.00 N ATOM 839 CA ASP A 53 5.901 -13.149 11.461 1.00 0.00 C ATOM 840 C ASP A 53 6.769 -11.911 11.388 1.00 0.00 C ATOM 841 O ASP A 53 7.709 -11.746 12.165 1.00 0.00 O ATOM 842 CB ASP A 53 5.785 -13.643 12.910 1.00 0.00 C ATOM 843 CG ASP A 53 5.261 -12.576 13.857 1.00 0.00 C ATOM 844 OD1 ASP A 53 4.074 -12.197 13.741 1.00 0.00 O ATOM 845 OD2 ASP A 53 6.031 -12.114 14.727 1.00 0.00 O1- ATOM 0 H ASP A 53 7.350 -14.489 10.763 1.00 0.00 H new ATOM 0 HA ASP A 53 4.905 -12.877 11.111 1.00 0.00 H new ATOM 0 HB2 ASP A 53 5.122 -14.508 12.942 1.00 0.00 H new ATOM 0 HB3 ASP A 53 6.763 -13.978 13.254 1.00 0.00 H new ATOM 850 N TRP A 54 6.479 -11.081 10.410 1.00 0.00 N ATOM 851 CA TRP A 54 7.144 -9.793 10.248 1.00 0.00 C ATOM 852 C TRP A 54 6.454 -8.980 9.152 1.00 0.00 C ATOM 853 O TRP A 54 5.727 -9.539 8.326 1.00 0.00 O ATOM 854 CB TRP A 54 8.639 -9.967 9.942 1.00 0.00 C ATOM 855 CG TRP A 54 9.412 -8.685 9.995 1.00 0.00 C ATOM 856 CD1 TRP A 54 10.239 -8.188 9.037 1.00 0.00 C ATOM 857 CD2 TRP A 54 9.406 -7.723 11.062 1.00 0.00 C ATOM 858 NE1 TRP A 54 10.753 -6.984 9.441 1.00 0.00 N ATOM 859 CE2 TRP A 54 10.255 -6.676 10.677 1.00 0.00 C ATOM 860 CE3 TRP A 54 8.766 -7.649 12.304 1.00 0.00 C ATOM 861 CZ2 TRP A 54 10.480 -5.566 11.483 1.00 0.00 C ATOM 862 CZ3 TRP A 54 8.991 -6.548 13.102 1.00 0.00 C ATOM 863 CH2 TRP A 54 9.840 -5.520 12.689 1.00 0.00 C ATOM 0 H TRP A 54 5.774 -11.275 9.699 1.00 0.00 H new ATOM 0 HA TRP A 54 7.067 -9.249 11.190 1.00 0.00 H new ATOM 0 HB2 TRP A 54 9.068 -10.671 10.655 1.00 0.00 H new ATOM 0 HB3 TRP A 54 8.750 -10.409 8.952 1.00 0.00 H new ATOM 0 HD1 TRP A 54 10.458 -8.671 8.096 1.00 0.00 H new ATOM 0 HE1 TRP A 54 11.403 -6.409 8.905 1.00 0.00 H new ATOM 0 HE3 TRP A 54 8.108 -8.440 12.631 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 11.137 -4.769 11.167 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 8.502 -6.480 14.063 1.00 0.00 H new ATOM 0 HH2 TRP A 54 9.994 -4.670 13.337 1.00 0.00 H new ATOM 874 N THR A 55 6.687 -7.672 9.158 1.00 0.00 N ATOM 875 CA THR A 55 6.076 -6.756 8.209 1.00 0.00 C ATOM 876 C THR A 55 6.593 -6.999 6.791 1.00 0.00 C ATOM 877 O THR A 55 7.781 -7.254 6.587 1.00 0.00 O ATOM 878 CB THR A 55 6.361 -5.285 8.602 1.00 0.00 C ATOM 879 OG1 THR A 55 7.772 -5.035 8.567 1.00 0.00 O ATOM 880 CG2 THR A 55 5.850 -4.992 10.000 1.00 0.00 C ATOM 0 H THR A 55 7.309 -7.217 9.826 1.00 0.00 H new ATOM 0 HA THR A 55 5.002 -6.939 8.233 1.00 0.00 H new ATOM 0 HB THR A 55 5.847 -4.640 7.889 1.00 0.00 H new ATOM 0 HG1 THR A 55 7.945 -4.103 8.815 1.00 0.00 H new ATOM 0 HG21 THR A 55 6.061 -3.953 10.254 1.00 0.00 H new ATOM 0 HG22 THR A 55 4.774 -5.163 10.037 1.00 0.00 H new ATOM 0 HG23 THR A 55 6.347 -5.649 10.714 1.00 0.00 H new ATOM 888 N VAL A 56 5.702 -6.913 5.816 1.00 0.00 N ATOM 889 CA VAL A 56 6.072 -7.112 4.427 1.00 0.00 C ATOM 890 C VAL A 56 6.893 -5.923 3.916 1.00 0.00 C ATOM 891 O VAL A 56 7.709 -6.061 2.998 1.00 0.00 O ATOM 892 CB VAL A 56 4.816 -7.332 3.534 1.00 0.00 C ATOM 893 CG1 VAL A 56 3.898 -6.128 3.561 1.00 0.00 C ATOM 894 CG2 VAL A 56 5.207 -7.673 2.109 1.00 0.00 C ATOM 0 H VAL A 56 4.714 -6.706 5.964 1.00 0.00 H new ATOM 0 HA VAL A 56 6.685 -8.011 4.369 1.00 0.00 H new ATOM 0 HB VAL A 56 4.270 -8.179 3.949 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.032 -6.317 2.927 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.566 -5.946 4.583 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.434 -5.253 3.192 1.00 0.00 H new ATOM 0 HG21 VAL A 56 4.308 -7.821 1.510 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.794 -6.857 1.687 1.00 0.00 H new ATOM 0 HG23 VAL A 56 5.801 -8.587 2.103 1.00 0.00 H new ATOM 904 N GLN A 57 6.694 -4.762 4.537 1.00 0.00 N ATOM 905 CA GLN A 57 7.413 -3.558 4.156 1.00 0.00 C ATOM 906 C GLN A 57 8.906 -3.700 4.424 1.00 0.00 C ATOM 907 O GLN A 57 9.731 -3.470 3.543 1.00 0.00 O ATOM 908 CB GLN A 57 6.866 -2.334 4.901 1.00 0.00 C ATOM 909 CG GLN A 57 7.731 -1.088 4.746 1.00 0.00 C ATOM 910 CD GLN A 57 7.232 0.088 5.557 1.00 0.00 C ATOM 911 OE1 GLN A 57 7.574 0.236 6.730 1.00 0.00 O ATOM 912 NE2 GLN A 57 6.445 0.941 4.938 1.00 0.00 N ATOM 0 H GLN A 57 6.038 -4.634 5.308 1.00 0.00 H new ATOM 0 HA GLN A 57 7.264 -3.415 3.086 1.00 0.00 H new ATOM 0 HB2 GLN A 57 5.862 -2.116 4.537 1.00 0.00 H new ATOM 0 HB3 GLN A 57 6.776 -2.574 5.960 1.00 0.00 H new ATOM 0 HG2 GLN A 57 8.752 -1.322 5.048 1.00 0.00 H new ATOM 0 HG3 GLN A 57 7.766 -0.807 3.694 1.00 0.00 H new ATOM 0 HE21 GLN A 57 6.185 0.781 3.965 1.00 0.00 H new ATOM 0 HE22 GLN A 57 6.095 1.762 5.431 1.00 0.00 H new ATOM 921 N ASN A 58 9.242 -4.117 5.635 1.00 0.00 N ATOM 922 CA ASN A 58 10.636 -4.227 6.055 1.00 0.00 C ATOM 923 C ASN A 58 11.312 -5.469 5.450 1.00 0.00 C ATOM 924 O ASN A 58 12.497 -5.714 5.665 1.00 0.00 O ATOM 925 CB ASN A 58 10.713 -4.235 7.592 1.00 0.00 C ATOM 926 CG ASN A 58 12.133 -4.205 8.136 1.00 0.00 C ATOM 927 OD1 ASN A 58 12.723 -5.244 8.421 1.00 0.00 O ATOM 928 ND2 ASN A 58 12.681 -3.018 8.290 1.00 0.00 N ATOM 0 H ASN A 58 8.566 -4.387 6.350 1.00 0.00 H new ATOM 0 HA ASN A 58 11.182 -3.361 5.682 1.00 0.00 H new ATOM 0 HB2 ASN A 58 10.168 -3.374 7.978 1.00 0.00 H new ATOM 0 HB3 ASN A 58 10.209 -5.126 7.967 1.00 0.00 H new ATOM 0 HD21 ASN A 58 13.629 -2.938 8.658 1.00 0.00 H new ATOM 0 HD22 ASN A 58 12.158 -2.179 8.041 1.00 0.00 H new ATOM 935 N CYS A 59 10.560 -6.244 4.689 1.00 0.00 N ATOM 936 CA CYS A 59 11.117 -7.417 4.038 1.00 0.00 C ATOM 937 C CYS A 59 11.516 -7.110 2.587 1.00 0.00 C ATOM 938 O CYS A 59 12.147 -7.931 1.927 1.00 0.00 O ATOM 939 CB CYS A 59 10.147 -8.589 4.104 1.00 0.00 C ATOM 940 SG CYS A 59 9.803 -9.177 5.778 1.00 0.00 S ATOM 0 H CYS A 59 9.569 -6.085 4.507 1.00 0.00 H new ATOM 0 HA CYS A 59 12.021 -7.700 4.577 1.00 0.00 H new ATOM 0 HB2 CYS A 59 9.208 -8.295 3.635 1.00 0.00 H new ATOM 0 HB3 CYS A 59 10.552 -9.414 3.518 1.00 0.00 H new ATOM 0 HG CYS A 59 9.027 -8.329 6.385 1.00 0.00 H new ATOM 946 N ASP A 60 11.132 -5.915 2.105 1.00 0.00 N ATOM 947 CA ASP A 60 11.520 -5.416 0.758 1.00 0.00 C ATOM 948 C ASP A 60 10.918 -6.223 -0.404 1.00 0.00 C ATOM 949 O ASP A 60 11.558 -6.356 -1.451 1.00 0.00 O ATOM 950 CB ASP A 60 13.049 -5.396 0.593 1.00 0.00 C ATOM 951 CG ASP A 60 13.755 -4.429 1.511 1.00 0.00 C ATOM 952 OD1 ASP A 60 13.760 -3.222 1.210 1.00 0.00 O ATOM 953 OD2 ASP A 60 14.347 -4.886 2.521 1.00 0.00 O1- ATOM 0 H ASP A 60 10.547 -5.265 2.629 1.00 0.00 H new ATOM 0 HA ASP A 60 11.113 -4.406 0.708 1.00 0.00 H new ATOM 0 HB2 ASP A 60 13.436 -6.399 0.772 1.00 0.00 H new ATOM 0 HB3 ASP A 60 13.289 -5.141 -0.439 1.00 0.00 H new ATOM 958 N LEU A 61 9.687 -6.713 -0.260 1.00 0.00 N ATOM 959 CA LEU A 61 9.058 -7.500 -1.351 1.00 0.00 C ATOM 960 C LEU A 61 8.746 -6.639 -2.573 1.00 0.00 C ATOM 961 O LEU A 61 8.476 -7.154 -3.655 1.00 0.00 O ATOM 962 CB LEU A 61 7.782 -8.223 -0.887 1.00 0.00 C ATOM 963 CG LEU A 61 7.994 -9.453 0.000 1.00 0.00 C ATOM 964 CD1 LEU A 61 8.448 -9.049 1.377 1.00 0.00 C ATOM 965 CD2 LEU A 61 6.730 -10.294 0.072 1.00 0.00 C ATOM 0 H LEU A 61 9.109 -6.591 0.572 1.00 0.00 H new ATOM 0 HA LEU A 61 9.794 -8.252 -1.636 1.00 0.00 H new ATOM 0 HB2 LEU A 61 7.161 -7.510 -0.344 1.00 0.00 H new ATOM 0 HB3 LEU A 61 7.220 -8.528 -1.769 1.00 0.00 H new ATOM 0 HG LEU A 61 8.779 -10.062 -0.450 1.00 0.00 H new ATOM 0 HD11 LEU A 61 8.592 -9.940 1.989 1.00 0.00 H new ATOM 0 HD12 LEU A 61 9.389 -8.503 1.304 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.693 -8.411 1.837 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.906 -11.162 0.708 1.00 0.00 H new ATOM 0 HD22 LEU A 61 5.919 -9.697 0.489 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.457 -10.627 -0.929 1.00 0.00 H new ATOM 977 N ASP A 62 8.777 -5.338 -2.394 1.00 0.00 N ATOM 978 CA ASP A 62 8.512 -4.411 -3.482 1.00 0.00 C ATOM 979 C ASP A 62 9.818 -3.884 -4.058 1.00 0.00 C ATOM 980 O ASP A 62 9.875 -3.447 -5.211 1.00 0.00 O ATOM 981 CB ASP A 62 7.687 -3.229 -2.970 1.00 0.00 C ATOM 982 CG ASP A 62 8.494 -2.315 -2.067 1.00 0.00 C ATOM 983 OD1 ASP A 62 8.870 -2.747 -0.954 1.00 0.00 O ATOM 984 OD2 ASP A 62 8.762 -1.159 -2.469 1.00 0.00 O1- ATOM 0 H ASP A 62 8.984 -4.891 -1.501 1.00 0.00 H new ATOM 0 HA ASP A 62 7.960 -4.941 -4.258 1.00 0.00 H new ATOM 0 HB2 ASP A 62 7.309 -2.658 -3.818 1.00 0.00 H new ATOM 0 HB3 ASP A 62 6.820 -3.602 -2.425 1.00 0.00 H new ATOM 989 N GLN A 63 10.864 -3.941 -3.258 1.00 0.00 N ATOM 990 CA GLN A 63 12.142 -3.365 -3.631 1.00 0.00 C ATOM 991 C GLN A 63 13.090 -4.392 -4.251 1.00 0.00 C ATOM 992 O GLN A 63 13.688 -4.140 -5.299 1.00 0.00 O ATOM 993 CB GLN A 63 12.800 -2.723 -2.404 1.00 0.00 C ATOM 994 CG GLN A 63 14.071 -1.948 -2.714 1.00 0.00 C ATOM 995 CD GLN A 63 13.808 -0.652 -3.459 1.00 0.00 C ATOM 996 OE1 GLN A 63 12.831 -0.524 -4.197 1.00 0.00 O ATOM 997 NE2 GLN A 63 14.679 0.314 -3.273 1.00 0.00 N ATOM 0 H GLN A 63 10.854 -4.383 -2.339 1.00 0.00 H new ATOM 0 HA GLN A 63 11.946 -2.608 -4.390 1.00 0.00 H new ATOM 0 HB2 GLN A 63 12.084 -2.051 -1.931 1.00 0.00 H new ATOM 0 HB3 GLN A 63 13.031 -3.504 -1.679 1.00 0.00 H new ATOM 0 HG2 GLN A 63 14.591 -1.726 -1.782 1.00 0.00 H new ATOM 0 HG3 GLN A 63 14.736 -2.574 -3.309 1.00 0.00 H new ATOM 0 HE21 GLN A 63 15.476 0.170 -2.653 1.00 0.00 H new ATOM 0 HE22 GLN A 63 14.558 1.208 -3.748 1.00 0.00 H new ATOM 1006 N GLN A 64 13.223 -5.542 -3.617 1.00 0.00 N ATOM 1007 CA GLN A 64 14.183 -6.537 -4.072 1.00 0.00 C ATOM 1008 C GLN A 64 13.574 -7.526 -5.050 1.00 0.00 C ATOM 1009 O GLN A 64 12.996 -8.544 -4.649 1.00 0.00 O ATOM 1010 CB GLN A 64 14.806 -7.271 -2.888 1.00 0.00 C ATOM 1011 CG GLN A 64 15.495 -6.347 -1.895 1.00 0.00 C ATOM 1012 CD GLN A 64 16.621 -5.555 -2.522 1.00 0.00 C ATOM 1013 OE1 GLN A 64 17.297 -6.025 -3.434 1.00 0.00 O ATOM 1014 NE2 GLN A 64 16.826 -4.347 -2.045 1.00 0.00 N ATOM 0 H GLN A 64 12.685 -5.811 -2.793 1.00 0.00 H new ATOM 0 HA GLN A 64 14.966 -5.998 -4.605 1.00 0.00 H new ATOM 0 HB2 GLN A 64 14.029 -7.834 -2.370 1.00 0.00 H new ATOM 0 HB3 GLN A 64 15.530 -7.996 -3.260 1.00 0.00 H new ATOM 0 HG2 GLN A 64 14.761 -5.659 -1.475 1.00 0.00 H new ATOM 0 HG3 GLN A 64 15.888 -6.937 -1.067 1.00 0.00 H new ATOM 0 HE21 GLN A 64 16.243 -3.992 -1.287 1.00 0.00 H new ATOM 0 HE22 GLN A 64 17.568 -3.765 -2.433 1.00 0.00 H new ATOM 1037 N ILE A 66 11.278 -9.462 -7.816 1.00 0.00 N ATOM 1038 CA ILE A 66 9.880 -9.838 -7.775 1.00 0.00 C ATOM 1039 C ILE A 66 9.707 -11.090 -6.911 1.00 0.00 C ATOM 1040 O ILE A 66 10.587 -11.951 -6.870 1.00 0.00 O ATOM 1041 CB ILE A 66 9.323 -10.077 -9.215 1.00 0.00 C ATOM 1042 CG1 ILE A 66 7.806 -10.234 -9.198 1.00 0.00 C ATOM 1043 CG2 ILE A 66 9.963 -11.298 -9.853 1.00 0.00 C ATOM 1044 CD1 ILE A 66 7.172 -10.142 -10.569 1.00 0.00 C ATOM 0 HA ILE A 66 9.310 -9.021 -7.332 1.00 0.00 H new ATOM 0 HB ILE A 66 9.575 -9.200 -9.812 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.554 -11.197 -8.754 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.377 -9.465 -8.556 1.00 0.00 H new ATOM 0 HG21 ILE A 66 9.557 -11.440 -10.854 1.00 0.00 H new ATOM 0 HG22 ILE A 66 11.041 -11.152 -9.916 1.00 0.00 H new ATOM 0 HG23 ILE A 66 9.751 -12.179 -9.247 1.00 0.00 H new ATOM 0 HD11 ILE A 66 6.092 -10.263 -10.479 1.00 0.00 H new ATOM 0 HD12 ILE A 66 7.393 -9.169 -11.008 1.00 0.00 H new ATOM 0 HD13 ILE A 66 7.573 -10.928 -11.209 1.00 0.00 H new ATOM 1056 N VAL A 67 8.594 -11.177 -6.211 1.00 0.00 N ATOM 1057 CA VAL A 67 8.333 -12.310 -5.335 1.00 0.00 C ATOM 1058 C VAL A 67 7.804 -13.491 -6.137 1.00 0.00 C ATOM 1059 O VAL A 67 6.982 -13.320 -7.030 1.00 0.00 O ATOM 1060 CB VAL A 67 7.306 -11.940 -4.241 1.00 0.00 C ATOM 1061 CG1 VAL A 67 7.148 -13.072 -3.231 1.00 0.00 C ATOM 1062 CG2 VAL A 67 7.711 -10.652 -3.549 1.00 0.00 C ATOM 0 H VAL A 67 7.852 -10.477 -6.229 1.00 0.00 H new ATOM 0 HA VAL A 67 9.275 -12.584 -4.859 1.00 0.00 H new ATOM 0 HB VAL A 67 6.339 -11.785 -4.720 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.420 -12.784 -2.473 1.00 0.00 H new ATOM 0 HG12 VAL A 67 6.803 -13.971 -3.743 1.00 0.00 H new ATOM 0 HG13 VAL A 67 8.108 -13.271 -2.755 1.00 0.00 H new ATOM 0 HG21 VAL A 67 6.978 -10.405 -2.781 1.00 0.00 H new ATOM 0 HG22 VAL A 67 8.690 -10.779 -3.088 1.00 0.00 H new ATOM 0 HG23 VAL A 67 7.757 -9.845 -4.280 1.00 0.00 H new ATOM 1072 N HIS A 68 8.287 -14.680 -5.829 1.00 0.00 N ATOM 1073 CA HIS A 68 7.837 -15.882 -6.522 1.00 0.00 C ATOM 1074 C HIS A 68 6.989 -16.717 -5.578 1.00 0.00 C ATOM 1075 O HIS A 68 7.361 -16.920 -4.427 1.00 0.00 O ATOM 1076 CB HIS A 68 9.029 -16.727 -7.004 1.00 0.00 C ATOM 1077 CG HIS A 68 10.153 -15.948 -7.625 1.00 0.00 C ATOM 1078 ND1 HIS A 68 11.459 -16.234 -7.321 1.00 0.00 N ATOM 1079 CD2 HIS A 68 10.117 -14.925 -8.512 1.00 0.00 C ATOM 1080 CE1 HIS A 68 12.186 -15.388 -8.022 1.00 0.00 C ATOM 1081 NE2 HIS A 68 11.424 -14.573 -8.758 1.00 0.00 N ATOM 0 H HIS A 68 8.989 -14.844 -5.107 1.00 0.00 H new ATOM 0 HA HIS A 68 7.254 -15.577 -7.391 1.00 0.00 H new ATOM 0 HB2 HIS A 68 9.422 -17.289 -6.157 1.00 0.00 H new ATOM 0 HB3 HIS A 68 8.668 -17.455 -7.730 1.00 0.00 H new ATOM 0 HD2 HIS A 68 9.235 -14.474 -8.942 1.00 0.00 H new ATOM 0 HE1 HIS A 68 13.265 -15.357 -8.004 1.00 0.00 H new ATOM 0 HE2 HIS A 68 11.749 -13.834 -9.381 1.00 0.00 H new ATOM 1089 N ILE A 69 5.850 -17.183 -6.044 1.00 0.00 N ATOM 1090 CA ILE A 69 4.986 -18.008 -5.217 1.00 0.00 C ATOM 1091 C ILE A 69 4.531 -19.250 -5.973 1.00 0.00 C ATOM 1092 O ILE A 69 3.967 -19.160 -7.062 1.00 0.00 O ATOM 1093 CB ILE A 69 3.755 -17.222 -4.698 1.00 0.00 C ATOM 1094 CG1 ILE A 69 4.205 -16.037 -3.833 1.00 0.00 C ATOM 1095 CG2 ILE A 69 2.832 -18.139 -3.906 1.00 0.00 C ATOM 1096 CD1 ILE A 69 3.067 -15.290 -3.173 1.00 0.00 C ATOM 0 H ILE A 69 5.499 -17.008 -6.986 1.00 0.00 H new ATOM 0 HA ILE A 69 5.575 -18.315 -4.353 1.00 0.00 H new ATOM 0 HB ILE A 69 3.204 -16.836 -5.555 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.883 -16.401 -3.061 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.771 -15.342 -4.453 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.973 -17.571 -3.549 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.489 -18.951 -4.547 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.373 -18.552 -3.055 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.467 -14.468 -2.580 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.399 -14.894 -3.938 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.513 -15.969 -2.525 1.00 0.00 H new ATOM 1108 N VAL A 70 4.776 -20.400 -5.386 1.00 0.00 N ATOM 1109 CA VAL A 70 4.412 -21.666 -5.987 1.00 0.00 C ATOM 1110 C VAL A 70 3.636 -22.515 -4.981 1.00 0.00 C ATOM 1111 O VAL A 70 3.930 -22.497 -3.788 1.00 0.00 O ATOM 1112 CB VAL A 70 5.680 -22.434 -6.482 1.00 0.00 C ATOM 1113 CG1 VAL A 70 6.656 -22.684 -5.341 1.00 0.00 C ATOM 1114 CG2 VAL A 70 5.304 -23.742 -7.163 1.00 0.00 C ATOM 0 H VAL A 70 5.233 -20.485 -4.478 1.00 0.00 H new ATOM 0 HA VAL A 70 3.778 -21.469 -6.851 1.00 0.00 H new ATOM 0 HB VAL A 70 6.176 -21.801 -7.218 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.527 -23.220 -5.718 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.972 -21.731 -4.917 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.169 -23.281 -4.570 1.00 0.00 H new ATOM 0 HG21 VAL A 70 6.208 -24.252 -7.496 1.00 0.00 H new ATOM 0 HG22 VAL A 70 4.767 -24.378 -6.459 1.00 0.00 H new ATOM 0 HG23 VAL A 70 4.667 -23.535 -8.023 1.00 0.00 H new ATOM 1124 N GLN A 71 2.631 -23.228 -5.447 1.00 0.00 N ATOM 1125 CA GLN A 71 1.856 -24.076 -4.565 1.00 0.00 C ATOM 1126 C GLN A 71 2.246 -25.528 -4.757 1.00 0.00 C ATOM 1127 O GLN A 71 2.516 -25.968 -5.881 1.00 0.00 O ATOM 1128 CB GLN A 71 0.344 -23.901 -4.789 1.00 0.00 C ATOM 1129 CG GLN A 71 -0.135 -24.320 -6.171 1.00 0.00 C ATOM 1130 CD GLN A 71 -1.642 -24.442 -6.261 1.00 0.00 C ATOM 1131 OE1 GLN A 71 -2.313 -24.755 -5.278 1.00 0.00 O ATOM 1132 NE2 GLN A 71 -2.180 -24.207 -7.440 1.00 0.00 N ATOM 0 H GLN A 71 2.334 -23.238 -6.423 1.00 0.00 H new ATOM 0 HA GLN A 71 2.077 -23.775 -3.541 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -0.193 -24.482 -4.039 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.083 -22.855 -4.628 1.00 0.00 H new ATOM 0 HG2 GLN A 71 0.210 -23.592 -6.906 1.00 0.00 H new ATOM 0 HG3 GLN A 71 0.318 -25.276 -6.433 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -1.587 -23.950 -8.229 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -3.190 -24.282 -7.564 1.00 0.00 H new