USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 468 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 48 THR OG1 : rot 180:sc= -0.163 USER MOD Set 1.2: A 50 GLN : amide:sc= 0 K(o=-0.16,f=-1.3!) USER MOD Set 2.1: A 18 SER OG : rot 180:sc= -1.83! USER MOD Set 2.2: A 19 HIS : no HD1:sc= -2.33! K(o=-4.2!,f=0.43) USER MOD Single : A 1 GLY N :NH3+ -175:sc= 0 (180deg=-0.025) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 7 ASN : amide:sc= -2.5! C(o=-2.5!,f=-5!) USER MOD Single : A 13 HIS : no HD1:sc= -3.27! C(o=-3.3!,f=-3.3!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 22:sc= 1.36 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 36 GLN : amide:sc= -4.25! C(o=-4.2!,f=-2.4!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -146:sc= 0.904 (180deg=-0.949!) USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.0681 K(o=-0.068,f=-1.8!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -0.0174 X(o=-0.017,f=-0.3) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.103 0.528 17.094 1.00 0.00 N ATOM 2 CA GLY A 1 -16.051 -0.231 16.230 1.00 0.00 C ATOM 3 C GLY A 1 -15.288 -1.310 15.460 1.00 0.00 C ATOM 4 O GLY A 1 -15.727 -2.439 15.356 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.633 1.204 17.680 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.588 -0.134 17.709 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.426 1.044 16.497 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.830 -0.687 16.840 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.547 0.446 15.534 1.00 0.00 H new ATOM 10 N SER A 2 -14.149 -0.975 14.920 1.00 0.00 N ATOM 11 CA SER A 2 -13.359 -1.983 14.157 1.00 0.00 C ATOM 12 C SER A 2 -11.912 -2.007 14.655 1.00 0.00 C ATOM 13 O SER A 2 -11.469 -1.095 15.324 1.00 0.00 O ATOM 14 CB SER A 2 -13.417 -1.513 12.703 1.00 0.00 C ATOM 15 OG SER A 2 -14.543 -0.667 12.524 1.00 0.00 O ATOM 0 H SER A 2 -13.731 -0.046 14.974 1.00 0.00 H new ATOM 0 HA SER A 2 -13.753 -2.992 14.276 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.503 -0.979 12.446 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.484 -2.371 12.034 1.00 0.00 H new ATOM 0 HG SER A 2 -14.580 -0.364 11.593 1.00 0.00 H new ATOM 21 N PRO A 3 -11.222 -3.060 14.309 1.00 0.00 N ATOM 22 CA PRO A 3 -9.806 -3.172 14.746 1.00 0.00 C ATOM 23 C PRO A 3 -8.992 -1.985 14.224 1.00 0.00 C ATOM 24 O PRO A 3 -9.192 -1.521 13.119 1.00 0.00 O ATOM 25 CB PRO A 3 -9.326 -4.476 14.116 1.00 0.00 C ATOM 26 CG PRO A 3 -10.214 -4.678 12.935 1.00 0.00 C ATOM 27 CD PRO A 3 -11.542 -4.057 13.276 1.00 0.00 C ATOM 0 HA PRO A 3 -9.696 -3.168 15.830 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -8.280 -4.409 13.817 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -9.405 -5.307 14.817 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -9.787 -4.213 12.047 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -10.329 -5.739 12.715 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -12.000 -3.592 12.403 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -12.246 -4.802 13.647 1.00 0.00 H new ATOM 35 N LEU A 4 -8.077 -1.490 15.010 1.00 0.00 N ATOM 36 CA LEU A 4 -7.251 -0.332 14.558 1.00 0.00 C ATOM 37 C LEU A 4 -5.980 -0.826 13.865 1.00 0.00 C ATOM 38 O LEU A 4 -5.445 -1.867 14.195 1.00 0.00 O ATOM 39 CB LEU A 4 -6.903 0.428 15.839 1.00 0.00 C ATOM 40 CG LEU A 4 -8.189 0.775 16.592 1.00 0.00 C ATOM 41 CD1 LEU A 4 -7.846 1.607 17.829 1.00 0.00 C ATOM 42 CD2 LEU A 4 -9.115 1.577 15.677 1.00 0.00 C ATOM 0 H LEU A 4 -7.864 -1.836 15.946 1.00 0.00 H new ATOM 0 HA LEU A 4 -7.778 0.297 13.840 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -6.253 -0.179 16.469 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -6.354 1.338 15.597 1.00 0.00 H new ATOM 0 HG LEU A 4 -8.690 -0.143 16.899 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -8.762 1.855 18.366 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -7.186 1.035 18.481 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -7.345 2.525 17.522 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -10.031 1.824 16.213 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -8.616 2.496 15.369 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -9.359 0.984 14.796 1.00 0.00 H new ATOM 54 N GLN A 5 -5.490 -0.088 12.907 1.00 0.00 N ATOM 55 CA GLN A 5 -4.252 -0.516 12.194 1.00 0.00 C ATOM 56 C GLN A 5 -3.065 -0.538 13.162 1.00 0.00 C ATOM 57 O GLN A 5 -2.228 -1.417 13.111 1.00 0.00 O ATOM 58 CB GLN A 5 -4.038 0.536 11.106 1.00 0.00 C ATOM 59 CG GLN A 5 -5.155 0.429 10.067 1.00 0.00 C ATOM 60 CD GLN A 5 -4.909 1.442 8.947 1.00 0.00 C ATOM 61 OE1 GLN A 5 -4.478 2.550 9.198 1.00 0.00 O ATOM 62 NE2 GLN A 5 -5.169 1.108 7.712 1.00 0.00 N ATOM 0 H GLN A 5 -5.893 0.793 12.587 1.00 0.00 H new ATOM 0 HA GLN A 5 -4.341 -1.520 11.778 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -4.030 1.533 11.546 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -3.068 0.390 10.630 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -5.190 -0.581 9.658 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -6.121 0.616 10.536 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -5.531 0.178 7.501 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -5.010 1.777 6.959 1.00 0.00 H new ATOM 71 N ASP A 6 -2.988 0.423 14.042 1.00 0.00 N ATOM 72 CA ASP A 6 -1.856 0.455 15.011 1.00 0.00 C ATOM 73 C ASP A 6 -2.087 -0.566 16.130 1.00 0.00 C ATOM 74 O ASP A 6 -2.030 -0.244 17.299 1.00 0.00 O ATOM 75 CB ASP A 6 -1.858 1.876 15.576 1.00 0.00 C ATOM 76 CG ASP A 6 -1.632 2.877 14.441 1.00 0.00 C ATOM 77 OD1 ASP A 6 -1.226 2.449 13.373 1.00 0.00 O ATOM 78 OD2 ASP A 6 -1.867 4.054 14.659 1.00 0.00 O ATOM 0 H ASP A 6 -3.659 1.186 14.132 1.00 0.00 H new ATOM 0 HA ASP A 6 -0.905 0.203 14.542 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -2.807 2.080 16.072 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -1.076 1.981 16.328 1.00 0.00 H new ATOM 83 N ASN A 7 -2.347 -1.795 15.777 1.00 0.00 N ATOM 84 CA ASN A 7 -2.582 -2.835 16.820 1.00 0.00 C ATOM 85 C ASN A 7 -1.252 -3.453 17.260 1.00 0.00 C ATOM 86 O ASN A 7 -0.792 -4.426 16.697 1.00 0.00 O ATOM 87 CB ASN A 7 -3.462 -3.885 16.143 1.00 0.00 C ATOM 88 CG ASN A 7 -4.930 -3.462 16.241 1.00 0.00 C ATOM 89 OD1 ASN A 7 -5.256 -2.513 16.928 1.00 0.00 O ATOM 90 ND2 ASN A 7 -5.835 -4.129 15.579 1.00 0.00 N ATOM 0 H ASN A 7 -2.407 -2.124 14.813 1.00 0.00 H new ATOM 0 HA ASN A 7 -3.052 -2.424 17.713 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -3.174 -3.997 15.098 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -3.320 -4.855 16.619 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -6.816 -3.854 15.638 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -5.562 -4.925 15.003 1.00 0.00 H new ATOM 97 N LEU A 8 -0.631 -2.894 18.262 1.00 0.00 N ATOM 98 CA LEU A 8 0.669 -3.449 18.737 1.00 0.00 C ATOM 99 C LEU A 8 0.438 -4.390 19.924 1.00 0.00 C ATOM 100 O LEU A 8 -0.473 -4.205 20.705 1.00 0.00 O ATOM 101 CB LEU A 8 1.486 -2.231 19.170 1.00 0.00 C ATOM 102 CG LEU A 8 2.876 -2.682 19.619 1.00 0.00 C ATOM 103 CD1 LEU A 8 3.764 -2.898 18.393 1.00 0.00 C ATOM 104 CD2 LEU A 8 3.495 -1.606 20.514 1.00 0.00 C ATOM 0 H LEU A 8 -0.967 -2.077 18.772 1.00 0.00 H new ATOM 0 HA LEU A 8 1.178 -4.027 17.966 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.570 -1.524 18.344 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.980 -1.711 19.984 1.00 0.00 H new ATOM 0 HG LEU A 8 2.793 -3.616 20.175 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.755 -3.220 18.714 1.00 0.00 H new ATOM 0 HD12 LEU A 8 3.323 -3.664 17.755 1.00 0.00 H new ATOM 0 HD13 LEU A 8 3.848 -1.965 17.836 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.486 -1.926 20.835 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.578 -0.673 19.957 1.00 0.00 H new ATOM 0 HD23 LEU A 8 2.863 -1.452 21.388 1.00 0.00 H new ATOM 116 N VAL A 9 1.256 -5.396 20.063 1.00 0.00 N ATOM 117 CA VAL A 9 1.082 -6.347 21.198 1.00 0.00 C ATOM 118 C VAL A 9 2.427 -6.963 21.586 1.00 0.00 C ATOM 119 O VAL A 9 3.417 -6.798 20.901 1.00 0.00 O ATOM 120 CB VAL A 9 0.136 -7.428 20.672 1.00 0.00 C ATOM 121 CG1 VAL A 9 -1.293 -6.883 20.633 1.00 0.00 C ATOM 122 CG2 VAL A 9 0.564 -7.841 19.262 1.00 0.00 C ATOM 0 H VAL A 9 2.037 -5.601 19.440 1.00 0.00 H new ATOM 0 HA VAL A 9 0.688 -5.855 22.087 1.00 0.00 H new ATOM 0 HB VAL A 9 0.175 -8.295 21.331 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.966 -7.654 20.258 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.599 -6.591 21.638 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.333 -6.015 19.975 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.110 -8.611 18.888 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.527 -6.974 18.602 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.581 -8.232 19.290 1.00 0.00 H new ATOM 132 N ILE A 10 2.470 -7.676 22.678 1.00 0.00 N ATOM 133 CA ILE A 10 3.749 -8.308 23.107 1.00 0.00 C ATOM 134 C ILE A 10 3.629 -9.832 23.025 1.00 0.00 C ATOM 135 O ILE A 10 2.595 -10.397 23.323 1.00 0.00 O ATOM 136 CB ILE A 10 3.948 -7.861 24.555 1.00 0.00 C ATOM 137 CG1 ILE A 10 3.906 -6.333 24.629 1.00 0.00 C ATOM 138 CG2 ILE A 10 5.305 -8.357 25.060 1.00 0.00 C ATOM 139 CD1 ILE A 10 3.843 -5.895 26.093 1.00 0.00 C ATOM 0 H ILE A 10 1.674 -7.848 23.292 1.00 0.00 H new ATOM 0 HA ILE A 10 4.589 -8.018 22.476 1.00 0.00 H new ATOM 0 HB ILE A 10 3.154 -8.277 25.175 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.789 -5.911 24.150 1.00 0.00 H new ATOM 0 HG13 ILE A 10 3.038 -5.956 24.088 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.447 -8.038 26.093 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.337 -9.445 25.008 1.00 0.00 H new ATOM 0 HG23 ILE A 10 6.098 -7.941 24.439 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.813 -4.807 26.146 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.947 -6.306 26.557 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.724 -6.260 26.620 1.00 0.00 H new ATOM 151 N ALA A 11 4.673 -10.503 22.624 1.00 0.00 N ATOM 152 CA ALA A 11 4.606 -11.989 22.525 1.00 0.00 C ATOM 153 C ALA A 11 4.797 -12.619 23.905 1.00 0.00 C ATOM 154 O ALA A 11 5.854 -12.530 24.497 1.00 0.00 O ATOM 155 CB ALA A 11 5.754 -12.376 21.593 1.00 0.00 C ATOM 0 H ALA A 11 5.567 -10.089 22.361 1.00 0.00 H new ATOM 0 HA ALA A 11 3.643 -12.336 22.149 1.00 0.00 H new ATOM 0 HB1 ALA A 11 5.772 -13.459 21.469 1.00 0.00 H new ATOM 0 HB2 ALA A 11 5.610 -11.902 20.622 1.00 0.00 H new ATOM 0 HB3 ALA A 11 6.699 -12.044 22.023 1.00 0.00 H new ATOM 161 N LEU A 12 3.789 -13.266 24.421 1.00 0.00 N ATOM 162 CA LEU A 12 3.931 -13.908 25.758 1.00 0.00 C ATOM 163 C LEU A 12 4.896 -15.090 25.656 1.00 0.00 C ATOM 164 O LEU A 12 5.487 -15.513 26.631 1.00 0.00 O ATOM 165 CB LEU A 12 2.525 -14.390 26.117 1.00 0.00 C ATOM 166 CG LEU A 12 1.555 -13.208 26.069 1.00 0.00 C ATOM 167 CD1 LEU A 12 0.146 -13.693 26.414 1.00 0.00 C ATOM 168 CD2 LEU A 12 1.992 -12.148 27.081 1.00 0.00 C ATOM 0 H LEU A 12 2.877 -13.378 23.977 1.00 0.00 H new ATOM 0 HA LEU A 12 4.328 -13.228 26.512 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.206 -15.165 25.421 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.524 -14.835 27.112 1.00 0.00 H new ATOM 0 HG LEU A 12 1.556 -12.776 25.068 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.547 -12.852 26.380 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.165 -14.449 25.693 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.145 -14.124 27.415 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.301 -11.306 27.047 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.990 -12.578 28.082 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.997 -11.803 26.836 1.00 0.00 H new ATOM 180 N HIS A 13 5.058 -15.621 24.477 1.00 0.00 N ATOM 181 CA HIS A 13 5.981 -16.774 24.290 1.00 0.00 C ATOM 182 C HIS A 13 6.415 -16.857 22.825 1.00 0.00 C ATOM 183 O HIS A 13 5.705 -16.436 21.935 1.00 0.00 O ATOM 184 CB HIS A 13 5.153 -17.998 24.674 1.00 0.00 C ATOM 185 CG HIS A 13 4.984 -18.041 26.167 1.00 0.00 C ATOM 186 ND1 HIS A 13 6.053 -18.241 27.026 1.00 0.00 N ATOM 187 CD2 HIS A 13 3.878 -17.909 26.968 1.00 0.00 C ATOM 188 CE1 HIS A 13 5.570 -18.225 28.284 1.00 0.00 C ATOM 189 NE2 HIS A 13 4.250 -18.026 28.304 1.00 0.00 N ATOM 0 H HIS A 13 4.588 -15.304 23.629 1.00 0.00 H new ATOM 0 HA HIS A 13 6.888 -16.690 24.889 1.00 0.00 H new ATOM 0 HB2 HIS A 13 4.178 -17.958 24.188 1.00 0.00 H new ATOM 0 HB3 HIS A 13 5.645 -18.907 24.327 1.00 0.00 H new ATOM 0 HD2 HIS A 13 2.871 -17.740 26.615 1.00 0.00 H new ATOM 0 HE1 HIS A 13 6.177 -18.357 29.168 1.00 0.00 H new ATOM 0 HE2 HIS A 13 3.644 -17.971 29.123 1.00 0.00 H new ATOM 197 N SER A 14 7.574 -17.395 22.562 1.00 0.00 N ATOM 198 CA SER A 14 8.039 -17.496 21.149 1.00 0.00 C ATOM 199 C SER A 14 7.126 -18.442 20.361 1.00 0.00 C ATOM 200 O SER A 14 6.633 -19.419 20.886 1.00 0.00 O ATOM 201 CB SER A 14 9.456 -18.065 21.236 1.00 0.00 C ATOM 202 OG SER A 14 9.392 -19.446 21.562 1.00 0.00 O ATOM 0 H SER A 14 8.217 -17.768 23.261 1.00 0.00 H new ATOM 0 HA SER A 14 8.019 -16.534 20.637 1.00 0.00 H new ATOM 0 HB2 SER A 14 9.973 -17.928 20.286 1.00 0.00 H new ATOM 0 HB3 SER A 14 10.029 -17.528 21.992 1.00 0.00 H new ATOM 0 HG SER A 14 10.300 -19.812 21.616 1.00 0.00 H new ATOM 208 N TYR A 15 6.891 -18.159 19.107 1.00 0.00 N ATOM 209 CA TYR A 15 6.005 -19.049 18.303 1.00 0.00 C ATOM 210 C TYR A 15 6.839 -20.035 17.481 1.00 0.00 C ATOM 211 O TYR A 15 7.996 -19.799 17.194 1.00 0.00 O ATOM 212 CB TYR A 15 5.225 -18.111 17.382 1.00 0.00 C ATOM 213 CG TYR A 15 4.327 -18.927 16.483 1.00 0.00 C ATOM 214 CD1 TYR A 15 3.410 -19.827 17.040 1.00 0.00 C ATOM 215 CD2 TYR A 15 4.412 -18.785 15.094 1.00 0.00 C ATOM 216 CE1 TYR A 15 2.578 -20.584 16.205 1.00 0.00 C ATOM 217 CE2 TYR A 15 3.582 -19.543 14.259 1.00 0.00 C ATOM 218 CZ TYR A 15 2.665 -20.443 14.815 1.00 0.00 C ATOM 219 OH TYR A 15 1.845 -21.189 13.993 1.00 0.00 O ATOM 0 H TYR A 15 7.272 -17.355 18.608 1.00 0.00 H new ATOM 0 HA TYR A 15 5.345 -19.644 18.934 1.00 0.00 H new ATOM 0 HB2 TYR A 15 4.631 -17.414 17.973 1.00 0.00 H new ATOM 0 HB3 TYR A 15 5.914 -17.515 16.783 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.344 -19.937 18.112 1.00 0.00 H new ATOM 0 HD2 TYR A 15 5.119 -18.090 14.665 1.00 0.00 H new ATOM 0 HE1 TYR A 15 1.869 -21.277 16.634 1.00 0.00 H new ATOM 0 HE2 TYR A 15 3.649 -19.433 13.187 1.00 0.00 H new ATOM 0 HH TYR A 15 1.058 -21.484 14.497 1.00 0.00 H new ATOM 229 N GLU A 16 6.258 -21.140 17.099 1.00 0.00 N ATOM 230 CA GLU A 16 7.013 -22.143 16.293 1.00 0.00 C ATOM 231 C GLU A 16 6.455 -22.201 14.867 1.00 0.00 C ATOM 232 O GLU A 16 5.614 -23.023 14.562 1.00 0.00 O ATOM 233 CB GLU A 16 6.791 -23.474 17.010 1.00 0.00 C ATOM 234 CG GLU A 16 7.460 -24.598 16.218 1.00 0.00 C ATOM 235 CD GLU A 16 7.812 -25.749 17.163 1.00 0.00 C ATOM 236 OE1 GLU A 16 8.530 -25.506 18.119 1.00 0.00 O ATOM 237 OE2 GLU A 16 7.357 -26.854 16.914 1.00 0.00 O ATOM 0 H GLU A 16 5.292 -21.392 17.310 1.00 0.00 H new ATOM 0 HA GLU A 16 8.072 -21.896 16.211 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.204 -23.429 18.018 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.724 -23.671 17.111 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.792 -24.950 15.432 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.361 -24.227 15.729 1.00 0.00 H new ATOM 244 N PRO A 17 6.947 -21.318 14.043 1.00 0.00 N ATOM 245 CA PRO A 17 6.467 -21.293 12.635 1.00 0.00 C ATOM 246 C PRO A 17 6.658 -22.663 11.979 1.00 0.00 C ATOM 247 O PRO A 17 7.758 -23.169 11.884 1.00 0.00 O ATOM 248 CB PRO A 17 7.348 -20.245 11.964 1.00 0.00 C ATOM 249 CG PRO A 17 8.594 -20.209 12.786 1.00 0.00 C ATOM 250 CD PRO A 17 8.196 -20.559 14.194 1.00 0.00 C ATOM 0 HA PRO A 17 5.405 -21.061 12.554 1.00 0.00 H new ATOM 0 HB2 PRO A 17 7.564 -20.514 10.930 1.00 0.00 H new ATOM 0 HB3 PRO A 17 6.859 -19.271 11.945 1.00 0.00 H new ATOM 0 HG2 PRO A 17 9.329 -20.918 12.405 1.00 0.00 H new ATOM 0 HG3 PRO A 17 9.054 -19.221 12.748 1.00 0.00 H new ATOM 0 HD2 PRO A 17 8.965 -21.153 14.688 1.00 0.00 H new ATOM 0 HD3 PRO A 17 8.047 -19.664 14.799 1.00 0.00 H new ATOM 258 N SER A 18 5.594 -23.266 11.525 1.00 0.00 N ATOM 259 CA SER A 18 5.714 -24.601 10.873 1.00 0.00 C ATOM 260 C SER A 18 5.886 -24.435 9.361 1.00 0.00 C ATOM 261 O SER A 18 5.814 -25.387 8.610 1.00 0.00 O ATOM 262 CB SER A 18 4.399 -25.315 11.187 1.00 0.00 C ATOM 263 OG SER A 18 3.325 -24.625 10.564 1.00 0.00 O ATOM 0 H SER A 18 4.646 -22.892 11.577 1.00 0.00 H new ATOM 0 HA SER A 18 6.577 -25.161 11.233 1.00 0.00 H new ATOM 0 HB2 SER A 18 4.438 -26.345 10.832 1.00 0.00 H new ATOM 0 HB3 SER A 18 4.243 -25.355 12.265 1.00 0.00 H new ATOM 0 HG SER A 18 2.482 -25.083 10.764 1.00 0.00 H new ATOM 269 N HIS A 19 6.113 -23.232 8.909 1.00 0.00 N ATOM 270 CA HIS A 19 6.289 -23.005 7.446 1.00 0.00 C ATOM 271 C HIS A 19 7.389 -21.969 7.200 1.00 0.00 C ATOM 272 O HIS A 19 8.238 -21.739 8.037 1.00 0.00 O ATOM 273 CB HIS A 19 4.939 -22.476 6.962 1.00 0.00 C ATOM 274 CG HIS A 19 3.888 -23.534 7.151 1.00 0.00 C ATOM 275 ND1 HIS A 19 3.779 -24.628 6.306 1.00 0.00 N ATOM 276 CD2 HIS A 19 2.891 -23.680 8.083 1.00 0.00 C ATOM 277 CE1 HIS A 19 2.750 -25.376 6.742 1.00 0.00 C ATOM 278 NE2 HIS A 19 2.172 -24.843 7.822 1.00 0.00 N ATOM 0 H HIS A 19 6.184 -22.396 9.489 1.00 0.00 H new ATOM 0 HA HIS A 19 6.584 -23.913 6.920 1.00 0.00 H new ATOM 0 HB2 HIS A 19 4.669 -21.577 7.516 1.00 0.00 H new ATOM 0 HB3 HIS A 19 5.002 -22.195 5.911 1.00 0.00 H new ATOM 0 HD2 HIS A 19 2.694 -22.996 8.896 1.00 0.00 H new ATOM 0 HE1 HIS A 19 2.430 -26.296 6.276 1.00 0.00 H new ATOM 0 HE2 HIS A 19 1.375 -25.209 8.343 1.00 0.00 H new ATOM 286 N ASP A 20 7.378 -21.342 6.054 1.00 0.00 N ATOM 287 CA ASP A 20 8.421 -20.321 5.753 1.00 0.00 C ATOM 288 C ASP A 20 7.791 -18.927 5.689 1.00 0.00 C ATOM 289 O ASP A 20 8.444 -17.953 5.369 1.00 0.00 O ATOM 290 CB ASP A 20 8.983 -20.719 4.387 1.00 0.00 C ATOM 291 CG ASP A 20 7.863 -20.679 3.345 1.00 0.00 C ATOM 292 OD1 ASP A 20 6.775 -20.248 3.689 1.00 0.00 O ATOM 293 OD2 ASP A 20 8.114 -21.082 2.221 1.00 0.00 O ATOM 0 H ASP A 20 6.692 -21.493 5.314 1.00 0.00 H new ATOM 0 HA ASP A 20 9.197 -20.285 6.517 1.00 0.00 H new ATOM 0 HB2 ASP A 20 9.786 -20.040 4.100 1.00 0.00 H new ATOM 0 HB3 ASP A 20 9.414 -21.719 4.436 1.00 0.00 H new ATOM 298 N GLY A 21 6.525 -18.823 5.989 1.00 0.00 N ATOM 299 CA GLY A 21 5.854 -17.493 5.942 1.00 0.00 C ATOM 300 C GLY A 21 5.341 -17.123 7.337 1.00 0.00 C ATOM 301 O GLY A 21 4.691 -16.114 7.520 1.00 0.00 O ATOM 0 H GLY A 21 5.926 -19.602 6.265 1.00 0.00 H new ATOM 0 HA2 GLY A 21 6.553 -16.735 5.588 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.025 -17.518 5.234 1.00 0.00 H new ATOM 305 N ASP A 22 5.628 -17.931 8.323 1.00 0.00 N ATOM 306 CA ASP A 22 5.153 -17.617 9.702 1.00 0.00 C ATOM 307 C ASP A 22 6.244 -16.880 10.484 1.00 0.00 C ATOM 308 O ASP A 22 7.394 -16.855 10.090 1.00 0.00 O ATOM 309 CB ASP A 22 4.858 -18.974 10.341 1.00 0.00 C ATOM 310 CG ASP A 22 3.806 -19.711 9.510 1.00 0.00 C ATOM 311 OD1 ASP A 22 3.253 -19.097 8.612 1.00 0.00 O ATOM 312 OD2 ASP A 22 3.572 -20.877 9.783 1.00 0.00 O ATOM 0 H ASP A 22 6.169 -18.791 8.234 1.00 0.00 H new ATOM 0 HA ASP A 22 4.275 -16.971 9.697 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.771 -19.566 10.400 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.500 -18.837 11.362 1.00 0.00 H new ATOM 317 N LEU A 23 5.893 -16.279 11.587 1.00 0.00 N ATOM 318 CA LEU A 23 6.909 -15.543 12.394 1.00 0.00 C ATOM 319 C LEU A 23 7.117 -16.244 13.740 1.00 0.00 C ATOM 320 O LEU A 23 6.218 -16.327 14.551 1.00 0.00 O ATOM 321 CB LEU A 23 6.314 -14.149 12.596 1.00 0.00 C ATOM 322 CG LEU A 23 7.394 -13.208 13.134 1.00 0.00 C ATOM 323 CD1 LEU A 23 8.633 -13.291 12.242 1.00 0.00 C ATOM 324 CD2 LEU A 23 6.862 -11.773 13.140 1.00 0.00 C ATOM 0 H LEU A 23 4.946 -16.265 11.966 1.00 0.00 H new ATOM 0 HA LEU A 23 7.882 -15.502 11.905 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.922 -13.769 11.653 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.477 -14.196 13.293 1.00 0.00 H new ATOM 0 HG LEU A 23 7.659 -13.501 14.150 1.00 0.00 H new ATOM 0 HD11 LEU A 23 9.403 -12.621 12.625 1.00 0.00 H new ATOM 0 HD12 LEU A 23 9.011 -14.313 12.239 1.00 0.00 H new ATOM 0 HD13 LEU A 23 8.370 -12.998 11.226 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.631 -11.102 13.523 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.597 -11.479 12.124 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.979 -11.715 13.777 1.00 0.00 H new ATOM 336 N GLY A 24 8.297 -16.746 13.981 1.00 0.00 N ATOM 337 CA GLY A 24 8.561 -17.441 15.274 1.00 0.00 C ATOM 338 C GLY A 24 9.210 -16.465 16.255 1.00 0.00 C ATOM 339 O GLY A 24 10.243 -16.741 16.829 1.00 0.00 O ATOM 0 H GLY A 24 9.089 -16.705 13.340 1.00 0.00 H new ATOM 0 HA2 GLY A 24 7.629 -17.825 15.689 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.215 -18.298 15.111 1.00 0.00 H new ATOM 343 N PHE A 25 8.615 -15.320 16.446 1.00 0.00 N ATOM 344 CA PHE A 25 9.194 -14.315 17.382 1.00 0.00 C ATOM 345 C PHE A 25 9.529 -14.955 18.730 1.00 0.00 C ATOM 346 O PHE A 25 9.181 -16.088 18.995 1.00 0.00 O ATOM 347 CB PHE A 25 8.098 -13.255 17.549 1.00 0.00 C ATOM 348 CG PHE A 25 6.774 -13.922 17.858 1.00 0.00 C ATOM 349 CD1 PHE A 25 6.448 -14.254 19.179 1.00 0.00 C ATOM 350 CD2 PHE A 25 5.873 -14.208 16.824 1.00 0.00 C ATOM 351 CE1 PHE A 25 5.222 -14.871 19.463 1.00 0.00 C ATOM 352 CE2 PHE A 25 4.650 -14.825 17.109 1.00 0.00 C ATOM 353 CZ PHE A 25 4.325 -15.156 18.428 1.00 0.00 C ATOM 0 H PHE A 25 7.747 -15.036 15.991 1.00 0.00 H new ATOM 0 HA PHE A 25 10.124 -13.892 17.001 1.00 0.00 H new ATOM 0 HB2 PHE A 25 8.365 -12.568 18.352 1.00 0.00 H new ATOM 0 HB3 PHE A 25 8.012 -12.662 16.638 1.00 0.00 H new ATOM 0 HD1 PHE A 25 7.141 -14.035 19.978 1.00 0.00 H new ATOM 0 HD2 PHE A 25 6.123 -13.952 15.805 1.00 0.00 H new ATOM 0 HE1 PHE A 25 4.970 -15.127 20.482 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.957 -15.046 16.310 1.00 0.00 H new ATOM 0 HZ PHE A 25 3.381 -15.632 18.648 1.00 0.00 H new ATOM 363 N GLU A 26 10.204 -14.232 19.583 1.00 0.00 N ATOM 364 CA GLU A 26 10.566 -14.785 20.918 1.00 0.00 C ATOM 365 C GLU A 26 9.644 -14.204 21.993 1.00 0.00 C ATOM 366 O GLU A 26 8.789 -13.385 21.715 1.00 0.00 O ATOM 367 CB GLU A 26 12.010 -14.338 21.151 1.00 0.00 C ATOM 368 CG GLU A 26 12.907 -14.914 20.054 1.00 0.00 C ATOM 369 CD GLU A 26 14.362 -14.527 20.330 1.00 0.00 C ATOM 370 OE1 GLU A 26 14.580 -13.702 21.202 1.00 0.00 O ATOM 371 OE2 GLU A 26 15.234 -15.063 19.666 1.00 0.00 O ATOM 0 H GLU A 26 10.521 -13.278 19.411 1.00 0.00 H new ATOM 0 HA GLU A 26 10.463 -15.869 20.961 1.00 0.00 H new ATOM 0 HB2 GLU A 26 12.069 -13.250 21.150 1.00 0.00 H new ATOM 0 HB3 GLU A 26 12.353 -14.675 22.129 1.00 0.00 H new ATOM 0 HG2 GLU A 26 12.808 -15.999 20.021 1.00 0.00 H new ATOM 0 HG3 GLU A 26 12.597 -14.536 19.080 1.00 0.00 H new ATOM 378 N LYS A 27 9.812 -14.616 23.219 1.00 0.00 N ATOM 379 CA LYS A 27 8.945 -14.082 24.306 1.00 0.00 C ATOM 380 C LYS A 27 9.263 -12.606 24.562 1.00 0.00 C ATOM 381 O LYS A 27 10.409 -12.220 24.680 1.00 0.00 O ATOM 382 CB LYS A 27 9.287 -14.925 25.534 1.00 0.00 C ATOM 383 CG LYS A 27 8.430 -14.475 26.719 1.00 0.00 C ATOM 384 CD LYS A 27 8.636 -15.436 27.891 1.00 0.00 C ATOM 385 CE LYS A 27 7.618 -15.125 28.990 1.00 0.00 C ATOM 386 NZ LYS A 27 8.440 -14.850 30.203 1.00 0.00 N ATOM 0 H LYS A 27 10.511 -15.298 23.515 1.00 0.00 H new ATOM 0 HA LYS A 27 7.886 -14.138 24.054 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.111 -15.980 25.324 1.00 0.00 H new ATOM 0 HB3 LYS A 27 10.345 -14.821 25.776 1.00 0.00 H new ATOM 0 HG2 LYS A 27 8.702 -13.461 27.014 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.378 -14.453 26.433 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.521 -16.466 27.555 1.00 0.00 H new ATOM 0 HD3 LYS A 27 9.649 -15.339 28.281 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.002 -14.266 28.727 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.942 -15.964 29.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.814 -14.628 31.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 9.011 -15.688 30.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 9.069 -14.042 30.020 1.00 0.00 H new ATOM 400 N GLY A 28 8.258 -11.781 24.650 1.00 0.00 N ATOM 401 CA GLY A 28 8.503 -10.333 24.898 1.00 0.00 C ATOM 402 C GLY A 28 8.689 -9.609 23.565 1.00 0.00 C ATOM 403 O GLY A 28 8.729 -8.397 23.508 1.00 0.00 O ATOM 0 H GLY A 28 7.277 -12.047 24.561 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.665 -9.900 25.445 1.00 0.00 H new ATOM 0 HA3 GLY A 28 9.389 -10.205 25.520 1.00 0.00 H new ATOM 407 N GLU A 29 8.804 -10.340 22.488 1.00 0.00 N ATOM 408 CA GLU A 29 8.986 -9.679 21.164 1.00 0.00 C ATOM 409 C GLU A 29 7.738 -8.873 20.800 1.00 0.00 C ATOM 410 O GLU A 29 6.636 -9.385 20.792 1.00 0.00 O ATOM 411 CB GLU A 29 9.196 -10.820 20.169 1.00 0.00 C ATOM 412 CG GLU A 29 9.778 -10.256 18.871 1.00 0.00 C ATOM 413 CD GLU A 29 10.368 -11.395 18.037 1.00 0.00 C ATOM 414 OE1 GLU A 29 11.219 -12.101 18.552 1.00 0.00 O ATOM 415 OE2 GLU A 29 9.958 -11.541 16.896 1.00 0.00 O ATOM 0 H GLU A 29 8.780 -11.360 22.468 1.00 0.00 H new ATOM 0 HA GLU A 29 9.826 -8.984 21.165 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.870 -11.566 20.590 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.250 -11.323 19.969 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.001 -9.742 18.305 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.549 -9.519 19.096 1.00 0.00 H new ATOM 422 N GLN A 30 7.902 -7.614 20.499 1.00 0.00 N ATOM 423 CA GLN A 30 6.723 -6.777 20.134 1.00 0.00 C ATOM 424 C GLN A 30 6.329 -7.033 18.679 1.00 0.00 C ATOM 425 O GLN A 30 7.170 -7.140 17.808 1.00 0.00 O ATOM 426 CB GLN A 30 7.189 -5.333 20.320 1.00 0.00 C ATOM 427 CG GLN A 30 7.603 -5.115 21.777 1.00 0.00 C ATOM 428 CD GLN A 30 8.116 -3.684 21.951 1.00 0.00 C ATOM 429 OE1 GLN A 30 8.230 -2.946 20.993 1.00 0.00 O ATOM 430 NE2 GLN A 30 8.434 -3.259 23.144 1.00 0.00 N ATOM 0 H GLN A 30 8.799 -7.129 20.490 1.00 0.00 H new ATOM 0 HA GLN A 30 5.849 -7.002 20.745 1.00 0.00 H new ATOM 0 HB2 GLN A 30 8.028 -5.122 19.657 1.00 0.00 H new ATOM 0 HB3 GLN A 30 6.389 -4.644 20.051 1.00 0.00 H new ATOM 0 HG2 GLN A 30 6.755 -5.292 22.438 1.00 0.00 H new ATOM 0 HG3 GLN A 30 8.379 -5.828 22.057 1.00 0.00 H new ATOM 0 HE21 GLN A 30 8.338 -3.879 23.948 1.00 0.00 H new ATOM 0 HE22 GLN A 30 8.778 -2.307 23.271 1.00 0.00 H new ATOM 439 N LEU A 31 5.058 -7.137 18.407 1.00 0.00 N ATOM 440 CA LEU A 31 4.614 -7.391 17.007 1.00 0.00 C ATOM 441 C LEU A 31 3.343 -6.596 16.699 1.00 0.00 C ATOM 442 O LEU A 31 2.661 -6.125 17.587 1.00 0.00 O ATOM 443 CB LEU A 31 4.330 -8.892 16.947 1.00 0.00 C ATOM 444 CG LEU A 31 5.507 -9.662 17.549 1.00 0.00 C ATOM 445 CD1 LEU A 31 5.154 -11.149 17.633 1.00 0.00 C ATOM 446 CD2 LEU A 31 6.741 -9.480 16.664 1.00 0.00 C ATOM 0 H LEU A 31 4.307 -7.057 19.093 1.00 0.00 H new ATOM 0 HA LEU A 31 5.364 -7.086 16.277 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.415 -9.121 17.493 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.170 -9.201 15.914 1.00 0.00 H new ATOM 0 HG LEU A 31 5.717 -9.281 18.549 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.992 -11.698 18.062 1.00 0.00 H new ATOM 0 HD12 LEU A 31 4.274 -11.279 18.263 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.944 -11.530 16.634 1.00 0.00 H new ATOM 0 HD21 LEU A 31 7.580 -10.028 17.092 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.531 -9.861 15.664 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.993 -8.421 16.604 1.00 0.00 H new ATOM 458 N ARG A 32 3.017 -6.454 15.445 1.00 0.00 N ATOM 459 CA ARG A 32 1.784 -5.701 15.072 1.00 0.00 C ATOM 460 C ARG A 32 0.713 -6.682 14.590 1.00 0.00 C ATOM 461 O ARG A 32 0.983 -7.571 13.812 1.00 0.00 O ATOM 462 CB ARG A 32 2.215 -4.768 13.939 1.00 0.00 C ATOM 463 CG ARG A 32 0.977 -4.267 13.191 1.00 0.00 C ATOM 464 CD ARG A 32 1.413 -3.383 12.020 1.00 0.00 C ATOM 465 NE ARG A 32 0.414 -2.277 11.986 1.00 0.00 N ATOM 466 CZ ARG A 32 0.726 -1.134 11.438 1.00 0.00 C ATOM 467 NH1 ARG A 32 0.784 -0.054 12.169 1.00 0.00 N ATOM 468 NH2 ARG A 32 0.982 -1.072 10.160 1.00 0.00 N ATOM 0 H ARG A 32 3.551 -6.827 14.660 1.00 0.00 H new ATOM 0 HA ARG A 32 1.360 -5.145 15.908 1.00 0.00 H new ATOM 0 HB2 ARG A 32 2.776 -3.924 14.342 1.00 0.00 H new ATOM 0 HB3 ARG A 32 2.879 -5.294 13.253 1.00 0.00 H new ATOM 0 HG2 ARG A 32 0.393 -5.112 12.825 1.00 0.00 H new ATOM 0 HG3 ARG A 32 0.334 -3.703 13.867 1.00 0.00 H new ATOM 0 HD2 ARG A 32 2.423 -3.000 12.168 1.00 0.00 H new ATOM 0 HD3 ARG A 32 1.418 -3.941 11.084 1.00 0.00 H new ATOM 0 HE ARG A 32 -0.512 -2.413 12.391 1.00 0.00 H new ATOM 0 HH11 ARG A 32 0.586 -0.103 13.168 1.00 0.00 H new ATOM 0 HH12 ARG A 32 1.028 0.839 11.741 1.00 0.00 H new ATOM 0 HH21 ARG A 32 0.938 -1.916 9.590 1.00 0.00 H new ATOM 0 HH22 ARG A 32 1.226 -0.179 9.731 1.00 0.00 H new ATOM 482 N ILE A 33 -0.499 -6.533 15.050 1.00 0.00 N ATOM 483 CA ILE A 33 -1.578 -7.467 14.615 1.00 0.00 C ATOM 484 C ILE A 33 -2.374 -6.864 13.455 1.00 0.00 C ATOM 485 O ILE A 33 -3.314 -6.120 13.655 1.00 0.00 O ATOM 486 CB ILE A 33 -2.468 -7.641 15.846 1.00 0.00 C ATOM 487 CG1 ILE A 33 -1.639 -8.209 17.000 1.00 0.00 C ATOM 488 CG2 ILE A 33 -3.612 -8.602 15.517 1.00 0.00 C ATOM 489 CD1 ILE A 33 -0.836 -9.414 16.508 1.00 0.00 C ATOM 0 H ILE A 33 -0.789 -5.808 15.706 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.180 -8.418 14.260 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.879 -6.674 16.136 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.966 -7.445 17.389 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.293 -8.505 17.820 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -4.247 -8.726 16.394 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.203 -8.196 14.696 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.202 -9.569 15.226 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.246 -9.818 17.330 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.518 -10.180 16.140 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.171 -9.104 15.702 1.00 0.00 H new ATOM 501 N LEU A 34 -1.999 -7.172 12.244 1.00 0.00 N ATOM 502 CA LEU A 34 -2.729 -6.610 11.070 1.00 0.00 C ATOM 503 C LEU A 34 -4.026 -7.386 10.818 1.00 0.00 C ATOM 504 O LEU A 34 -4.968 -6.864 10.256 1.00 0.00 O ATOM 505 CB LEU A 34 -1.769 -6.776 9.892 1.00 0.00 C ATOM 506 CG LEU A 34 -0.406 -6.185 10.257 1.00 0.00 C ATOM 507 CD1 LEU A 34 0.614 -7.316 10.418 1.00 0.00 C ATOM 508 CD2 LEU A 34 0.054 -5.240 9.146 1.00 0.00 C ATOM 0 H LEU A 34 -1.219 -7.788 12.016 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.013 -5.569 11.226 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.664 -7.831 9.641 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.169 -6.277 9.010 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.489 -5.633 11.193 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.585 -6.896 10.678 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.287 -7.991 11.209 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.696 -7.868 9.482 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.025 -4.819 9.406 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.137 -5.792 8.210 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.671 -4.435 9.030 1.00 0.00 H new ATOM 520 N GLU A 35 -4.086 -8.626 11.223 1.00 0.00 N ATOM 521 CA GLU A 35 -5.329 -9.418 10.998 1.00 0.00 C ATOM 522 C GLU A 35 -5.685 -10.219 12.252 1.00 0.00 C ATOM 523 O GLU A 35 -4.829 -10.773 12.911 1.00 0.00 O ATOM 524 CB GLU A 35 -4.996 -10.358 9.839 1.00 0.00 C ATOM 525 CG GLU A 35 -4.648 -9.534 8.597 1.00 0.00 C ATOM 526 CD GLU A 35 -5.223 -10.217 7.355 1.00 0.00 C ATOM 527 OE1 GLU A 35 -5.835 -11.262 7.507 1.00 0.00 O ATOM 528 OE2 GLU A 35 -5.042 -9.684 6.273 1.00 0.00 O ATOM 0 H GLU A 35 -3.332 -9.123 11.698 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.186 -8.782 10.776 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.158 -11.002 10.108 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.844 -11.010 9.630 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.052 -8.526 8.691 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.566 -9.436 8.504 1.00 0.00 H new ATOM 535 N GLN A 36 -6.946 -10.286 12.582 1.00 0.00 N ATOM 536 CA GLN A 36 -7.360 -11.053 13.791 1.00 0.00 C ATOM 537 C GLN A 36 -8.569 -11.934 13.465 1.00 0.00 C ATOM 538 O GLN A 36 -9.591 -11.870 14.121 1.00 0.00 O ATOM 539 CB GLN A 36 -7.730 -9.993 14.828 1.00 0.00 C ATOM 540 CG GLN A 36 -6.465 -9.248 15.264 1.00 0.00 C ATOM 541 CD GLN A 36 -6.854 -8.030 16.105 1.00 0.00 C ATOM 542 OE1 GLN A 36 -7.889 -7.431 15.887 1.00 0.00 O ATOM 543 NE2 GLN A 36 -6.062 -7.635 17.066 1.00 0.00 N ATOM 0 H GLN A 36 -7.707 -9.843 12.067 1.00 0.00 H new ATOM 0 HA GLN A 36 -6.572 -11.714 14.152 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.452 -9.293 14.407 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -8.205 -10.461 15.690 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -5.821 -9.911 15.841 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -5.896 -8.933 14.389 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -5.193 -8.137 17.250 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -6.312 -6.825 17.633 1.00 0.00 H new ATOM 552 N SER A 37 -8.459 -12.754 12.456 1.00 0.00 N ATOM 553 CA SER A 37 -9.601 -13.641 12.086 1.00 0.00 C ATOM 554 C SER A 37 -9.242 -15.104 12.352 1.00 0.00 C ATOM 555 O SER A 37 -8.103 -15.507 12.223 1.00 0.00 O ATOM 556 CB SER A 37 -9.815 -13.407 10.590 1.00 0.00 C ATOM 557 OG SER A 37 -10.992 -14.082 10.169 1.00 0.00 O ATOM 0 H SER A 37 -7.629 -12.849 11.871 1.00 0.00 H new ATOM 0 HA SER A 37 -10.498 -13.423 12.666 1.00 0.00 H new ATOM 0 HB2 SER A 37 -9.903 -12.340 10.387 1.00 0.00 H new ATOM 0 HB3 SER A 37 -8.954 -13.769 10.028 1.00 0.00 H new ATOM 0 HG SER A 37 -11.131 -13.931 9.211 1.00 0.00 H new ATOM 563 N GLY A 38 -10.204 -15.902 12.725 1.00 0.00 N ATOM 564 CA GLY A 38 -9.916 -17.337 13.000 1.00 0.00 C ATOM 565 C GLY A 38 -8.989 -17.448 14.211 1.00 0.00 C ATOM 566 O GLY A 38 -8.777 -16.494 14.931 1.00 0.00 O ATOM 0 H GLY A 38 -11.177 -15.622 12.851 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.845 -17.876 13.189 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.451 -17.799 12.129 1.00 0.00 H new ATOM 570 N GLU A 39 -8.434 -18.606 14.439 1.00 0.00 N ATOM 571 CA GLU A 39 -7.519 -18.775 15.603 1.00 0.00 C ATOM 572 C GLU A 39 -6.149 -18.173 15.288 1.00 0.00 C ATOM 573 O GLU A 39 -5.479 -17.642 16.152 1.00 0.00 O ATOM 574 CB GLU A 39 -7.408 -20.287 15.804 1.00 0.00 C ATOM 575 CG GLU A 39 -8.762 -20.844 16.249 1.00 0.00 C ATOM 576 CD GLU A 39 -8.656 -22.360 16.425 1.00 0.00 C ATOM 577 OE1 GLU A 39 -7.632 -22.910 16.051 1.00 0.00 O ATOM 578 OE2 GLU A 39 -9.598 -22.946 16.932 1.00 0.00 O ATOM 0 H GLU A 39 -8.574 -19.441 13.871 1.00 0.00 H new ATOM 0 HA GLU A 39 -7.889 -18.272 16.496 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -7.093 -20.766 14.877 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.647 -20.510 16.552 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -9.069 -20.379 17.186 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -9.526 -20.605 15.509 1.00 0.00 H new ATOM 585 N TRP A 40 -5.724 -18.253 14.057 1.00 0.00 N ATOM 586 CA TRP A 40 -4.394 -17.686 13.688 1.00 0.00 C ATOM 587 C TRP A 40 -4.549 -16.247 13.191 1.00 0.00 C ATOM 588 O TRP A 40 -5.453 -15.931 12.444 1.00 0.00 O ATOM 589 CB TRP A 40 -3.877 -18.587 12.567 1.00 0.00 C ATOM 590 CG TRP A 40 -3.585 -19.948 13.112 1.00 0.00 C ATOM 591 CD1 TRP A 40 -4.343 -21.048 12.898 1.00 0.00 C ATOM 592 CD2 TRP A 40 -2.475 -20.373 13.954 1.00 0.00 C ATOM 593 NE1 TRP A 40 -3.767 -22.121 13.556 1.00 0.00 N ATOM 594 CE2 TRP A 40 -2.614 -21.755 14.221 1.00 0.00 C ATOM 595 CE3 TRP A 40 -1.371 -19.699 14.508 1.00 0.00 C ATOM 596 CZ2 TRP A 40 -1.691 -22.445 15.008 1.00 0.00 C ATOM 597 CZ3 TRP A 40 -0.440 -20.390 15.300 1.00 0.00 C ATOM 598 CH2 TRP A 40 -0.600 -21.760 15.549 1.00 0.00 C ATOM 0 H TRP A 40 -6.239 -18.686 13.290 1.00 0.00 H new ATOM 0 HA TRP A 40 -3.710 -17.655 14.536 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -4.618 -18.655 11.770 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -2.976 -18.159 12.129 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -5.249 -21.083 12.310 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -4.148 -23.067 13.550 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -1.239 -18.643 14.323 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -1.819 -23.501 15.197 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 0.404 -19.863 15.720 1.00 0.00 H new ATOM 0 HH2 TRP A 40 0.120 -22.286 16.159 1.00 0.00 H new ATOM 609 N TRP A 41 -3.669 -15.374 13.598 1.00 0.00 N ATOM 610 CA TRP A 41 -3.758 -13.955 13.147 1.00 0.00 C ATOM 611 C TRP A 41 -2.481 -13.561 12.402 1.00 0.00 C ATOM 612 O TRP A 41 -1.431 -14.137 12.603 1.00 0.00 O ATOM 613 CB TRP A 41 -3.900 -13.140 14.433 1.00 0.00 C ATOM 614 CG TRP A 41 -5.232 -13.411 15.056 1.00 0.00 C ATOM 615 CD1 TRP A 41 -6.294 -13.953 14.416 1.00 0.00 C ATOM 616 CD2 TRP A 41 -5.662 -13.162 16.426 1.00 0.00 C ATOM 617 NE1 TRP A 41 -7.349 -14.051 15.306 1.00 0.00 N ATOM 618 CE2 TRP A 41 -7.008 -13.577 16.557 1.00 0.00 C ATOM 619 CE3 TRP A 41 -5.021 -12.621 17.555 1.00 0.00 C ATOM 620 CZ2 TRP A 41 -7.694 -13.460 17.767 1.00 0.00 C ATOM 621 CZ3 TRP A 41 -5.709 -12.502 18.774 1.00 0.00 C ATOM 622 CH2 TRP A 41 -7.043 -12.920 18.879 1.00 0.00 C ATOM 0 H TRP A 41 -2.891 -15.582 14.224 1.00 0.00 H new ATOM 0 HA TRP A 41 -4.591 -13.788 12.464 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -3.102 -13.399 15.129 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -3.799 -12.077 14.214 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -6.315 -14.259 13.380 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -8.266 -14.427 15.067 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -3.994 -12.295 17.484 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -8.721 -13.785 17.843 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -5.207 -12.086 19.635 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -7.567 -12.825 19.819 1.00 0.00 H new ATOM 633 N LYS A 42 -2.559 -12.574 11.551 1.00 0.00 N ATOM 634 CA LYS A 42 -1.343 -12.138 10.809 1.00 0.00 C ATOM 635 C LYS A 42 -0.737 -10.921 11.505 1.00 0.00 C ATOM 636 O LYS A 42 -1.445 -10.042 11.957 1.00 0.00 O ATOM 637 CB LYS A 42 -1.837 -11.769 9.409 1.00 0.00 C ATOM 638 CG LYS A 42 -2.715 -12.895 8.860 1.00 0.00 C ATOM 639 CD LYS A 42 -2.916 -12.697 7.357 1.00 0.00 C ATOM 640 CE LYS A 42 -3.632 -13.915 6.771 1.00 0.00 C ATOM 641 NZ LYS A 42 -5.050 -13.486 6.612 1.00 0.00 N ATOM 0 H LYS A 42 -3.409 -12.053 11.338 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.574 -12.910 10.769 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.403 -10.838 9.446 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -0.988 -11.600 8.746 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -2.248 -13.861 9.051 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.679 -12.900 9.369 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -3.501 -11.796 7.174 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.953 -12.558 6.866 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -3.198 -14.206 5.815 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -3.552 -14.777 7.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -5.679 -14.296 6.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -5.263 -12.732 7.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.199 -13.129 5.646 1.00 0.00 H new ATOM 655 N ALA A 43 0.560 -10.856 11.605 1.00 0.00 N ATOM 656 CA ALA A 43 1.182 -9.686 12.285 1.00 0.00 C ATOM 657 C ALA A 43 2.548 -9.369 11.674 1.00 0.00 C ATOM 658 O ALA A 43 3.048 -10.088 10.832 1.00 0.00 O ATOM 659 CB ALA A 43 1.337 -10.117 13.744 1.00 0.00 C ATOM 0 H ALA A 43 1.212 -11.555 11.249 1.00 0.00 H new ATOM 0 HA ALA A 43 0.578 -8.785 12.182 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.790 -9.308 14.316 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.357 -10.351 14.160 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.974 -11.000 13.797 1.00 0.00 H new ATOM 665 N GLN A 44 3.155 -8.294 12.098 1.00 0.00 N ATOM 666 CA GLN A 44 4.491 -7.924 11.551 1.00 0.00 C ATOM 667 C GLN A 44 5.381 -7.382 12.672 1.00 0.00 C ATOM 668 O GLN A 44 4.908 -6.786 13.620 1.00 0.00 O ATOM 669 CB GLN A 44 4.208 -6.835 10.515 1.00 0.00 C ATOM 670 CG GLN A 44 5.532 -6.308 9.957 1.00 0.00 C ATOM 671 CD GLN A 44 5.271 -5.049 9.128 1.00 0.00 C ATOM 672 OE1 GLN A 44 4.136 -4.702 8.868 1.00 0.00 O ATOM 673 NE2 GLN A 44 6.282 -4.344 8.700 1.00 0.00 N ATOM 0 H GLN A 44 2.783 -7.655 12.801 1.00 0.00 H new ATOM 0 HA GLN A 44 5.011 -8.775 11.112 1.00 0.00 H new ATOM 0 HB2 GLN A 44 3.594 -7.236 9.708 1.00 0.00 H new ATOM 0 HB3 GLN A 44 3.643 -6.022 10.971 1.00 0.00 H new ATOM 0 HG2 GLN A 44 6.219 -6.083 10.773 1.00 0.00 H new ATOM 0 HG3 GLN A 44 6.008 -7.070 9.340 1.00 0.00 H new ATOM 0 HE21 GLN A 44 7.235 -4.635 8.918 1.00 0.00 H new ATOM 0 HE22 GLN A 44 6.119 -3.502 8.148 1.00 0.00 H new ATOM 682 N SER A 45 6.665 -7.580 12.571 1.00 0.00 N ATOM 683 CA SER A 45 7.581 -7.074 13.633 1.00 0.00 C ATOM 684 C SER A 45 8.159 -5.717 13.228 1.00 0.00 C ATOM 685 O SER A 45 8.956 -5.618 12.317 1.00 0.00 O ATOM 686 CB SER A 45 8.689 -8.123 13.731 1.00 0.00 C ATOM 687 OG SER A 45 9.348 -7.998 14.984 1.00 0.00 O ATOM 0 H SER A 45 7.120 -8.069 11.801 1.00 0.00 H new ATOM 0 HA SER A 45 7.072 -6.930 14.586 1.00 0.00 H new ATOM 0 HB2 SER A 45 8.268 -9.123 13.627 1.00 0.00 H new ATOM 0 HB3 SER A 45 9.403 -7.991 12.918 1.00 0.00 H new ATOM 0 HG SER A 45 10.057 -8.671 15.049 1.00 0.00 H new ATOM 693 N LEU A 46 7.764 -4.669 13.899 1.00 0.00 N ATOM 694 CA LEU A 46 8.293 -3.319 13.553 1.00 0.00 C ATOM 695 C LEU A 46 9.758 -3.198 13.978 1.00 0.00 C ATOM 696 O LEU A 46 10.400 -2.192 13.748 1.00 0.00 O ATOM 697 CB LEU A 46 7.421 -2.340 14.341 1.00 0.00 C ATOM 698 CG LEU A 46 5.953 -2.547 13.964 1.00 0.00 C ATOM 699 CD1 LEU A 46 5.066 -1.696 14.875 1.00 0.00 C ATOM 700 CD2 LEU A 46 5.737 -2.131 12.508 1.00 0.00 C ATOM 0 H LEU A 46 7.098 -4.689 14.671 1.00 0.00 H new ATOM 0 HA LEU A 46 8.259 -3.124 12.481 1.00 0.00 H new ATOM 0 HB2 LEU A 46 7.558 -2.495 15.411 1.00 0.00 H new ATOM 0 HB3 LEU A 46 7.722 -1.315 14.126 1.00 0.00 H new ATOM 0 HG LEU A 46 5.692 -3.599 14.084 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.020 -1.844 14.606 1.00 0.00 H new ATOM 0 HD12 LEU A 46 5.219 -1.993 15.913 1.00 0.00 H new ATOM 0 HD13 LEU A 46 5.326 -0.644 14.756 1.00 0.00 H new ATOM 0 HD21 LEU A 46 4.691 -2.278 12.239 1.00 0.00 H new ATOM 0 HD22 LEU A 46 5.998 -1.080 12.387 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.368 -2.738 11.859 1.00 0.00 H new ATOM 712 N THR A 47 10.295 -4.216 14.593 1.00 0.00 N ATOM 713 CA THR A 47 11.720 -4.159 15.027 1.00 0.00 C ATOM 714 C THR A 47 12.634 -4.591 13.877 1.00 0.00 C ATOM 715 O THR A 47 13.771 -4.173 13.783 1.00 0.00 O ATOM 716 CB THR A 47 11.818 -5.145 16.192 1.00 0.00 C ATOM 717 OG1 THR A 47 10.896 -4.772 17.206 1.00 0.00 O ATOM 718 CG2 THR A 47 13.238 -5.127 16.759 1.00 0.00 C ATOM 0 H THR A 47 9.809 -5.085 14.814 1.00 0.00 H new ATOM 0 HA THR A 47 12.027 -3.155 15.319 1.00 0.00 H new ATOM 0 HB THR A 47 11.583 -6.149 15.839 1.00 0.00 H new ATOM 0 HG1 THR A 47 10.957 -5.404 17.952 1.00 0.00 H new ATOM 0 HG21 THR A 47 13.307 -5.830 17.589 1.00 0.00 H new ATOM 0 HG22 THR A 47 13.944 -5.415 15.980 1.00 0.00 H new ATOM 0 HG23 THR A 47 13.476 -4.124 17.112 1.00 0.00 H new ATOM 726 N THR A 48 12.143 -5.427 13.002 1.00 0.00 N ATOM 727 CA THR A 48 12.980 -5.887 11.857 1.00 0.00 C ATOM 728 C THR A 48 12.233 -5.674 10.538 1.00 0.00 C ATOM 729 O THR A 48 12.764 -5.901 9.469 1.00 0.00 O ATOM 730 CB THR A 48 13.210 -7.378 12.107 1.00 0.00 C ATOM 731 OG1 THR A 48 11.976 -8.073 11.986 1.00 0.00 O ATOM 732 CG2 THR A 48 13.776 -7.581 13.513 1.00 0.00 C ATOM 0 H THR A 48 11.199 -5.811 13.031 1.00 0.00 H new ATOM 0 HA THR A 48 13.918 -5.337 11.784 1.00 0.00 H new ATOM 0 HB THR A 48 13.918 -7.764 11.374 1.00 0.00 H new ATOM 0 HG1 THR A 48 12.122 -9.029 12.144 1.00 0.00 H new ATOM 0 HG21 THR A 48 13.939 -8.644 13.689 1.00 0.00 H new ATOM 0 HG22 THR A 48 14.723 -7.048 13.605 1.00 0.00 H new ATOM 0 HG23 THR A 48 13.070 -7.195 14.249 1.00 0.00 H new ATOM 740 N GLY A 49 11.005 -5.237 10.604 1.00 0.00 N ATOM 741 CA GLY A 49 10.226 -5.010 9.355 1.00 0.00 C ATOM 742 C GLY A 49 9.876 -6.355 8.716 1.00 0.00 C ATOM 743 O GLY A 49 9.915 -6.509 7.511 1.00 0.00 O ATOM 0 H GLY A 49 10.508 -5.027 11.470 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.315 -4.454 9.579 1.00 0.00 H new ATOM 0 HA3 GLY A 49 10.806 -4.405 8.658 1.00 0.00 H new ATOM 747 N GLN A 50 9.531 -7.331 9.511 1.00 0.00 N ATOM 748 CA GLN A 50 9.180 -8.665 8.944 1.00 0.00 C ATOM 749 C GLN A 50 7.706 -8.983 9.211 1.00 0.00 C ATOM 750 O GLN A 50 7.145 -8.582 10.211 1.00 0.00 O ATOM 751 CB GLN A 50 10.082 -9.658 9.676 1.00 0.00 C ATOM 752 CG GLN A 50 11.366 -9.872 8.871 1.00 0.00 C ATOM 753 CD GLN A 50 12.378 -10.641 9.720 1.00 0.00 C ATOM 754 OE1 GLN A 50 12.037 -11.181 10.753 1.00 0.00 O ATOM 755 NE2 GLN A 50 13.621 -10.714 9.326 1.00 0.00 N ATOM 0 H GLN A 50 9.477 -7.263 10.527 1.00 0.00 H new ATOM 0 HA GLN A 50 9.323 -8.704 7.864 1.00 0.00 H new ATOM 0 HB2 GLN A 50 10.322 -9.282 10.671 1.00 0.00 H new ATOM 0 HB3 GLN A 50 9.562 -10.607 9.811 1.00 0.00 H new ATOM 0 HG2 GLN A 50 11.147 -10.425 7.957 1.00 0.00 H new ATOM 0 HG3 GLN A 50 11.783 -8.911 8.570 1.00 0.00 H new ATOM 0 HE21 GLN A 50 13.908 -10.261 8.459 1.00 0.00 H new ATOM 0 HE22 GLN A 50 14.304 -11.224 9.886 1.00 0.00 H new ATOM 764 N GLU A 51 7.076 -9.705 8.324 1.00 0.00 N ATOM 765 CA GLU A 51 5.639 -10.051 8.527 1.00 0.00 C ATOM 766 C GLU A 51 5.469 -11.573 8.559 1.00 0.00 C ATOM 767 O GLU A 51 6.148 -12.297 7.857 1.00 0.00 O ATOM 768 CB GLU A 51 4.912 -9.453 7.323 1.00 0.00 C ATOM 769 CG GLU A 51 3.462 -9.940 7.307 1.00 0.00 C ATOM 770 CD GLU A 51 2.871 -9.734 5.911 1.00 0.00 C ATOM 771 OE1 GLU A 51 3.619 -9.363 5.021 1.00 0.00 O ATOM 772 OE2 GLU A 51 1.681 -9.952 5.754 1.00 0.00 O ATOM 0 H GLU A 51 7.494 -10.070 7.468 1.00 0.00 H new ATOM 0 HA GLU A 51 5.247 -9.665 9.468 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.940 -8.364 7.372 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.414 -9.744 6.400 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.418 -10.994 7.580 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.876 -9.394 8.046 1.00 0.00 H new ATOM 779 N GLY A 52 4.569 -12.067 9.366 1.00 0.00 N ATOM 780 CA GLY A 52 4.368 -13.541 9.434 1.00 0.00 C ATOM 781 C GLY A 52 3.015 -13.853 10.077 1.00 0.00 C ATOM 782 O GLY A 52 2.086 -13.071 10.011 1.00 0.00 O ATOM 0 H GLY A 52 3.967 -11.516 9.978 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.412 -13.969 8.433 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.170 -14.000 10.012 1.00 0.00 H new ATOM 786 N PHE A 53 2.902 -14.992 10.703 1.00 0.00 N ATOM 787 CA PHE A 53 1.617 -15.367 11.358 1.00 0.00 C ATOM 788 C PHE A 53 1.858 -15.688 12.835 1.00 0.00 C ATOM 789 O PHE A 53 2.842 -16.303 13.192 1.00 0.00 O ATOM 790 CB PHE A 53 1.137 -16.611 10.611 1.00 0.00 C ATOM 791 CG PHE A 53 0.864 -16.259 9.169 1.00 0.00 C ATOM 792 CD1 PHE A 53 -0.341 -15.639 8.816 1.00 0.00 C ATOM 793 CD2 PHE A 53 1.815 -16.553 8.185 1.00 0.00 C ATOM 794 CE1 PHE A 53 -0.594 -15.312 7.478 1.00 0.00 C ATOM 795 CE2 PHE A 53 1.562 -16.226 6.847 1.00 0.00 C ATOM 796 CZ PHE A 53 0.357 -15.606 6.493 1.00 0.00 C ATOM 0 H PHE A 53 3.648 -15.682 10.789 1.00 0.00 H new ATOM 0 HA PHE A 53 0.882 -14.563 11.320 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.891 -17.396 10.668 1.00 0.00 H new ATOM 0 HB3 PHE A 53 0.233 -17.002 11.078 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.075 -15.413 9.575 1.00 0.00 H new ATOM 0 HD2 PHE A 53 2.744 -17.032 8.458 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.523 -14.833 7.206 1.00 0.00 H new ATOM 0 HE2 PHE A 53 2.296 -16.452 6.088 1.00 0.00 H new ATOM 0 HZ PHE A 53 0.161 -15.355 5.461 1.00 0.00 H new ATOM 806 N ILE A 54 0.970 -15.275 13.697 1.00 0.00 N ATOM 807 CA ILE A 54 1.158 -15.557 15.147 1.00 0.00 C ATOM 808 C ILE A 54 -0.157 -16.025 15.777 1.00 0.00 C ATOM 809 O ILE A 54 -1.208 -15.478 15.504 1.00 0.00 O ATOM 810 CB ILE A 54 1.601 -14.225 15.753 1.00 0.00 C ATOM 811 CG1 ILE A 54 0.420 -13.250 15.767 1.00 0.00 C ATOM 812 CG2 ILE A 54 2.735 -13.634 14.913 1.00 0.00 C ATOM 813 CD1 ILE A 54 -0.142 -13.152 17.186 1.00 0.00 C ATOM 0 H ILE A 54 0.125 -14.756 13.460 1.00 0.00 H new ATOM 0 HA ILE A 54 1.887 -16.349 15.321 1.00 0.00 H new ATOM 0 HB ILE A 54 1.949 -14.390 16.773 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.742 -12.267 15.423 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.355 -13.590 15.080 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.051 -12.684 15.345 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.578 -14.325 14.901 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.386 -13.471 13.894 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.983 -12.458 17.197 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.479 -14.136 17.513 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.635 -12.792 17.861 1.00 0.00 H new ATOM 825 N PRO A 55 -0.049 -17.025 16.609 1.00 0.00 N ATOM 826 CA PRO A 55 -1.272 -17.546 17.276 1.00 0.00 C ATOM 827 C PRO A 55 -1.862 -16.474 18.198 1.00 0.00 C ATOM 828 O PRO A 55 -1.163 -15.612 18.690 1.00 0.00 O ATOM 829 CB PRO A 55 -0.776 -18.744 18.078 1.00 0.00 C ATOM 830 CG PRO A 55 0.671 -18.469 18.314 1.00 0.00 C ATOM 831 CD PRO A 55 1.160 -17.682 17.129 1.00 0.00 C ATOM 0 HA PRO A 55 -2.060 -17.819 16.574 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -1.319 -18.843 19.018 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -0.918 -19.675 17.528 1.00 0.00 H new ATOM 0 HG2 PRO A 55 0.813 -17.907 19.237 1.00 0.00 H new ATOM 0 HG3 PRO A 55 1.230 -19.399 18.418 1.00 0.00 H new ATOM 0 HD2 PRO A 55 1.916 -16.953 17.420 1.00 0.00 H new ATOM 0 HD3 PRO A 55 1.614 -18.331 16.380 1.00 0.00 H new ATOM 839 N PHE A 56 -3.146 -16.512 18.420 1.00 0.00 N ATOM 840 CA PHE A 56 -3.784 -15.486 19.295 1.00 0.00 C ATOM 841 C PHE A 56 -3.425 -15.711 20.769 1.00 0.00 C ATOM 842 O PHE A 56 -3.742 -14.901 21.617 1.00 0.00 O ATOM 843 CB PHE A 56 -5.287 -15.667 19.078 1.00 0.00 C ATOM 844 CG PHE A 56 -5.756 -16.917 19.788 1.00 0.00 C ATOM 845 CD1 PHE A 56 -5.660 -18.161 19.153 1.00 0.00 C ATOM 846 CD2 PHE A 56 -6.283 -16.830 21.081 1.00 0.00 C ATOM 847 CE1 PHE A 56 -6.094 -19.318 19.812 1.00 0.00 C ATOM 848 CE2 PHE A 56 -6.717 -17.987 21.740 1.00 0.00 C ATOM 849 CZ PHE A 56 -6.622 -19.231 21.105 1.00 0.00 C ATOM 0 H PHE A 56 -3.783 -17.209 18.034 1.00 0.00 H new ATOM 0 HA PHE A 56 -3.445 -14.480 19.049 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -5.826 -14.798 19.456 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -5.505 -15.739 18.012 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -5.251 -18.228 18.156 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -6.355 -15.870 21.571 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -6.021 -20.278 19.322 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -7.125 -17.920 22.738 1.00 0.00 H new ATOM 0 HZ PHE A 56 -6.956 -20.124 21.613 1.00 0.00 H new ATOM 859 N ASN A 57 -2.783 -16.801 21.092 1.00 0.00 N ATOM 860 CA ASN A 57 -2.433 -17.056 22.519 1.00 0.00 C ATOM 861 C ASN A 57 -1.017 -16.561 22.834 1.00 0.00 C ATOM 862 O ASN A 57 -0.703 -16.239 23.963 1.00 0.00 O ATOM 863 CB ASN A 57 -2.516 -18.573 22.680 1.00 0.00 C ATOM 864 CG ASN A 57 -2.571 -18.927 24.168 1.00 0.00 C ATOM 865 OD1 ASN A 57 -2.450 -18.064 25.015 1.00 0.00 O ATOM 866 ND2 ASN A 57 -2.751 -20.170 24.524 1.00 0.00 N ATOM 0 H ASN A 57 -2.487 -17.522 20.434 1.00 0.00 H new ATOM 0 HA ASN A 57 -3.102 -16.530 23.200 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -3.401 -18.955 22.172 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -1.652 -19.046 22.215 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -2.790 -20.417 25.513 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -2.853 -20.894 23.813 1.00 0.00 H new ATOM 873 N PHE A 58 -0.158 -16.500 21.853 1.00 0.00 N ATOM 874 CA PHE A 58 1.232 -16.029 22.117 1.00 0.00 C ATOM 875 C PHE A 58 1.275 -14.498 22.139 1.00 0.00 C ATOM 876 O PHE A 58 2.312 -13.898 22.338 1.00 0.00 O ATOM 877 CB PHE A 58 2.071 -16.576 20.959 1.00 0.00 C ATOM 878 CG PHE A 58 2.294 -18.060 21.151 1.00 0.00 C ATOM 879 CD1 PHE A 58 1.200 -18.931 21.263 1.00 0.00 C ATOM 880 CD2 PHE A 58 3.598 -18.566 21.221 1.00 0.00 C ATOM 881 CE1 PHE A 58 1.413 -20.303 21.443 1.00 0.00 C ATOM 882 CE2 PHE A 58 3.809 -19.938 21.399 1.00 0.00 C ATOM 883 CZ PHE A 58 2.717 -20.807 21.511 1.00 0.00 C ATOM 0 H PHE A 58 -0.357 -16.754 20.885 1.00 0.00 H new ATOM 0 HA PHE A 58 1.606 -16.372 23.082 1.00 0.00 H new ATOM 0 HB2 PHE A 58 1.564 -16.394 20.011 1.00 0.00 H new ATOM 0 HB3 PHE A 58 3.028 -16.057 20.913 1.00 0.00 H new ATOM 0 HD1 PHE A 58 0.193 -18.543 21.210 1.00 0.00 H new ATOM 0 HD2 PHE A 58 4.442 -17.897 21.138 1.00 0.00 H new ATOM 0 HE1 PHE A 58 0.570 -20.973 21.529 1.00 0.00 H new ATOM 0 HE2 PHE A 58 4.815 -20.327 21.450 1.00 0.00 H new ATOM 0 HZ PHE A 58 2.881 -21.865 21.650 1.00 0.00 H new ATOM 893 N VAL A 59 0.152 -13.864 21.938 1.00 0.00 N ATOM 894 CA VAL A 59 0.123 -12.373 21.950 1.00 0.00 C ATOM 895 C VAL A 59 -1.194 -11.881 22.555 1.00 0.00 C ATOM 896 O VAL A 59 -2.108 -12.649 22.781 1.00 0.00 O ATOM 897 CB VAL A 59 0.226 -11.961 20.481 1.00 0.00 C ATOM 898 CG1 VAL A 59 0.365 -10.441 20.387 1.00 0.00 C ATOM 899 CG2 VAL A 59 1.450 -12.627 19.849 1.00 0.00 C ATOM 0 H VAL A 59 -0.747 -14.314 21.766 1.00 0.00 H new ATOM 0 HA VAL A 59 0.929 -11.947 22.547 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.672 -12.277 19.951 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.439 -10.146 19.340 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -0.508 -9.967 20.837 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.263 -10.124 20.917 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.524 -12.334 18.802 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.349 -12.312 20.378 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.350 -13.710 19.916 1.00 0.00 H new ATOM 909 N ALA A 60 -1.300 -10.608 22.819 1.00 0.00 N ATOM 910 CA ALA A 60 -2.562 -10.074 23.408 1.00 0.00 C ATOM 911 C ALA A 60 -2.691 -8.577 23.119 1.00 0.00 C ATOM 912 O ALA A 60 -1.710 -7.874 22.975 1.00 0.00 O ATOM 913 CB ALA A 60 -2.432 -10.321 24.912 1.00 0.00 C ATOM 0 H ALA A 60 -0.570 -9.915 22.653 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.447 -10.554 22.990 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.324 -9.955 25.419 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.322 -11.390 25.097 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.556 -9.795 25.293 1.00 0.00 H new ATOM 919 N LYS A 61 -3.896 -8.083 23.033 1.00 0.00 N ATOM 920 CA LYS A 61 -4.088 -6.631 22.754 1.00 0.00 C ATOM 921 C LYS A 61 -3.548 -5.793 23.916 1.00 0.00 C ATOM 922 O LYS A 61 -3.957 -5.948 25.050 1.00 0.00 O ATOM 923 CB LYS A 61 -5.601 -6.453 22.624 1.00 0.00 C ATOM 924 CG LYS A 61 -5.903 -5.067 22.049 1.00 0.00 C ATOM 925 CD LYS A 61 -7.416 -4.894 21.902 1.00 0.00 C ATOM 926 CE LYS A 61 -7.716 -3.527 21.284 1.00 0.00 C ATOM 927 NZ LYS A 61 -8.034 -3.815 19.857 1.00 0.00 N ATOM 0 H LYS A 61 -4.755 -8.621 23.144 1.00 0.00 H new ATOM 0 HA LYS A 61 -3.559 -6.308 21.857 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.015 -7.226 21.976 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.076 -6.566 23.598 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.500 -4.294 22.704 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -5.417 -4.950 21.080 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -7.824 -5.686 21.274 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -7.899 -4.979 22.876 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -8.553 -3.041 21.785 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -6.860 -2.857 21.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.252 -2.926 19.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -7.216 -4.271 19.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.856 -4.449 19.806 1.00 0.00 H new ATOM 941 N ALA A 62 -2.631 -4.905 23.643 1.00 0.00 N ATOM 942 CA ALA A 62 -2.066 -4.058 24.732 1.00 0.00 C ATOM 943 C ALA A 62 -3.184 -3.281 25.433 1.00 0.00 C ATOM 944 O ALA A 62 -3.146 -3.061 26.627 1.00 0.00 O ATOM 945 CB ALA A 62 -1.106 -3.099 24.029 1.00 0.00 C ATOM 0 H ALA A 62 -2.249 -4.729 22.714 1.00 0.00 H new ATOM 0 HA ALA A 62 -1.564 -4.650 25.497 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -0.647 -2.439 24.765 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -0.330 -3.670 23.520 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.656 -2.503 23.300 1.00 0.00 H new ATOM 951 N ASN A 63 -4.180 -2.863 24.698 1.00 0.00 N ATOM 952 CA ASN A 63 -5.299 -2.101 25.324 1.00 0.00 C ATOM 953 C ASN A 63 -6.611 -2.876 25.181 1.00 0.00 C ATOM 954 O ASN A 63 -6.942 -3.241 24.065 1.00 0.00 O ATOM 955 CB ASN A 63 -5.366 -0.787 24.545 1.00 0.00 C ATOM 956 CG ASN A 63 -6.174 0.238 25.344 1.00 0.00 C ATOM 957 OD1 ASN A 63 -5.930 0.441 26.518 1.00 0.00 O ATOM 958 ND2 ASN A 63 -7.133 0.897 24.755 1.00 0.00 N ATOM 959 OXT ASN A 63 -7.262 -3.091 26.190 1.00 0.00 O ATOM 0 H ASN A 63 -4.267 -3.016 23.693 1.00 0.00 H new ATOM 0 HA ASN A 63 -5.142 -1.936 26.390 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -4.360 -0.409 24.360 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -5.828 -0.952 23.572 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -7.678 1.582 25.279 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -7.338 0.727 23.770 1.00 0.00 H new TER 966 ASN A 63