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 45 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 48 THR OG1 : rot -169:sc= -1.92! USER MOD Set 1.3: A 50 GLN : amide:sc= 0.0111 K(o=-1.9,f=-3.6!) USER MOD Set 2.1: A 18 SER OG : rot 26:sc= -1.79! USER MOD Set 2.2: A 19 HIS : no HE2:sc= -0.922! C(o=-2.7!,f=-6.3!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= -4.64! K(o=-4.6!,f=-2.5) USER MOD Single : A 7 ASN : amide:sc= -0.356 X(o=-0.36,f=0) USER MOD Single : A 13 HIS : no HD1:sc= -7.38! C(o=-7.4!,f=-5.1!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 42:sc= 1.8 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -158:sc= 0.133 (180deg=0.0544) USER MOD Single : A 44 GLN : amide:sc= -3.95! C(o=-3.9!,f=-12!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -1.44 K(o=-1.4,f=-3.3!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -0.0721 K(o=-0.072,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.882 7.563 14.972 1.00 0.00 N ATOM 2 CA GLY A 1 8.554 7.941 15.533 1.00 0.00 C ATOM 3 C GLY A 1 7.447 7.281 14.709 1.00 0.00 C ATOM 4 O GLY A 1 6.837 7.902 13.860 1.00 0.00 O ATOM 0 H1 GLY A 1 10.635 8.011 15.531 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.992 6.529 15.008 1.00 0.00 H new ATOM 0 H3 GLY A 1 9.946 7.884 13.985 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.484 7.626 16.574 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.436 9.025 15.519 1.00 0.00 H new ATOM 10 N SER A 2 7.181 6.027 14.951 1.00 0.00 N ATOM 11 CA SER A 2 6.112 5.329 14.180 1.00 0.00 C ATOM 12 C SER A 2 4.734 5.699 14.734 1.00 0.00 C ATOM 13 O SER A 2 4.598 6.026 15.896 1.00 0.00 O ATOM 14 CB SER A 2 6.389 3.838 14.381 1.00 0.00 C ATOM 15 OG SER A 2 5.761 3.397 15.575 1.00 0.00 O ATOM 0 H SER A 2 7.657 5.455 15.649 1.00 0.00 H new ATOM 0 HA SER A 2 6.115 5.605 13.126 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.015 3.270 13.529 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.463 3.661 14.436 1.00 0.00 H new ATOM 0 HG SER A 2 5.937 2.441 15.703 1.00 0.00 H new ATOM 21 N PRO A 3 3.753 5.631 13.875 1.00 0.00 N ATOM 22 CA PRO A 3 2.376 5.972 14.321 1.00 0.00 C ATOM 23 C PRO A 3 1.959 5.077 15.491 1.00 0.00 C ATOM 24 O PRO A 3 2.329 3.922 15.564 1.00 0.00 O ATOM 25 CB PRO A 3 1.512 5.698 13.095 1.00 0.00 C ATOM 26 CG PRO A 3 2.279 4.692 12.305 1.00 0.00 C ATOM 27 CD PRO A 3 3.738 4.946 12.573 1.00 0.00 C ATOM 0 HA PRO A 3 2.286 7.000 14.672 1.00 0.00 H new ATOM 0 HB2 PRO A 3 0.532 5.314 13.379 1.00 0.00 H new ATOM 0 HB3 PRO A 3 1.343 6.608 12.519 1.00 0.00 H new ATOM 0 HG2 PRO A 3 2.003 3.679 12.598 1.00 0.00 H new ATOM 0 HG3 PRO A 3 2.059 4.787 11.242 1.00 0.00 H new ATOM 0 HD2 PRO A 3 4.304 4.015 12.606 1.00 0.00 H new ATOM 0 HD3 PRO A 3 4.184 5.563 11.793 1.00 0.00 H new ATOM 35 N LEU A 4 1.191 5.601 16.407 1.00 0.00 N ATOM 36 CA LEU A 4 0.751 4.779 17.571 1.00 0.00 C ATOM 37 C LEU A 4 -0.584 4.095 17.263 1.00 0.00 C ATOM 38 O LEU A 4 -1.513 4.715 16.783 1.00 0.00 O ATOM 39 CB LEU A 4 0.591 5.774 18.721 1.00 0.00 C ATOM 40 CG LEU A 4 0.202 5.021 19.995 1.00 0.00 C ATOM 41 CD1 LEU A 4 1.333 4.070 20.391 1.00 0.00 C ATOM 42 CD2 LEU A 4 -0.041 6.023 21.125 1.00 0.00 C ATOM 0 H LEU A 4 0.849 6.562 16.400 1.00 0.00 H new ATOM 0 HA LEU A 4 1.463 3.990 17.811 1.00 0.00 H new ATOM 0 HB2 LEU A 4 1.522 6.319 18.877 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -0.172 6.512 18.474 1.00 0.00 H new ATOM 0 HG LEU A 4 -0.708 4.448 19.815 1.00 0.00 H new ATOM 0 HD11 LEU A 4 1.056 3.533 21.299 1.00 0.00 H new ATOM 0 HD12 LEU A 4 1.507 3.356 19.586 1.00 0.00 H new ATOM 0 HD13 LEU A 4 2.243 4.642 20.571 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -0.318 5.487 22.033 1.00 0.00 H new ATOM 0 HD22 LEU A 4 0.869 6.596 21.305 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -0.847 6.701 20.843 1.00 0.00 H new ATOM 54 N GLN A 5 -0.688 2.823 17.533 1.00 0.00 N ATOM 55 CA GLN A 5 -1.963 2.102 17.256 1.00 0.00 C ATOM 56 C GLN A 5 -2.222 1.049 18.336 1.00 0.00 C ATOM 57 O GLN A 5 -1.312 0.580 18.991 1.00 0.00 O ATOM 58 CB GLN A 5 -1.752 1.435 15.896 1.00 0.00 C ATOM 59 CG GLN A 5 -0.693 0.338 16.025 1.00 0.00 C ATOM 60 CD GLN A 5 -0.378 -0.233 14.641 1.00 0.00 C ATOM 61 OE1 GLN A 5 -0.345 0.491 13.666 1.00 0.00 O ATOM 62 NE2 GLN A 5 -0.144 -1.510 14.513 1.00 0.00 N ATOM 0 H GLN A 5 0.055 2.251 17.934 1.00 0.00 H new ATOM 0 HA GLN A 5 -2.824 2.771 17.254 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -2.690 1.010 15.538 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -1.436 2.175 15.161 1.00 0.00 H new ATOM 0 HG2 GLN A 5 0.212 0.743 16.478 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -1.052 -0.453 16.683 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -0.172 -2.118 15.331 1.00 0.00 H new ATOM 0 HE22 GLN A 5 0.067 -1.900 13.594 1.00 0.00 H new ATOM 71 N ASP A 6 -3.458 0.675 18.528 1.00 0.00 N ATOM 72 CA ASP A 6 -3.775 -0.347 19.567 1.00 0.00 C ATOM 73 C ASP A 6 -3.537 -1.755 19.013 1.00 0.00 C ATOM 74 O ASP A 6 -3.813 -2.744 19.664 1.00 0.00 O ATOM 75 CB ASP A 6 -5.255 -0.139 19.888 1.00 0.00 C ATOM 76 CG ASP A 6 -6.090 -0.389 18.631 1.00 0.00 C ATOM 77 OD1 ASP A 6 -5.520 -0.815 17.640 1.00 0.00 O ATOM 78 OD2 ASP A 6 -7.286 -0.152 18.681 1.00 0.00 O ATOM 0 H ASP A 6 -4.261 1.032 18.011 1.00 0.00 H new ATOM 0 HA ASP A 6 -3.148 -0.245 20.453 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -5.564 -0.817 20.684 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -5.420 0.875 20.251 1.00 0.00 H new ATOM 83 N ASN A 7 -3.027 -1.853 17.816 1.00 0.00 N ATOM 84 CA ASN A 7 -2.772 -3.196 17.222 1.00 0.00 C ATOM 85 C ASN A 7 -1.413 -3.730 17.682 1.00 0.00 C ATOM 86 O ASN A 7 -0.994 -4.803 17.296 1.00 0.00 O ATOM 87 CB ASN A 7 -2.775 -2.968 15.710 1.00 0.00 C ATOM 88 CG ASN A 7 -4.161 -2.493 15.270 1.00 0.00 C ATOM 89 OD1 ASN A 7 -4.281 -1.579 14.479 1.00 0.00 O ATOM 90 ND2 ASN A 7 -5.222 -3.080 15.753 1.00 0.00 N ATOM 0 H ASN A 7 -2.776 -1.061 17.224 1.00 0.00 H new ATOM 0 HA ASN A 7 -3.519 -3.929 17.525 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -2.022 -2.227 15.442 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -2.513 -3.890 15.192 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -6.151 -2.771 15.466 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -5.122 -3.848 16.417 1.00 0.00 H new ATOM 97 N LEU A 8 -0.723 -2.990 18.506 1.00 0.00 N ATOM 98 CA LEU A 8 0.608 -3.458 18.992 1.00 0.00 C ATOM 99 C LEU A 8 0.429 -4.438 20.154 1.00 0.00 C ATOM 100 O LEU A 8 -0.483 -4.314 20.947 1.00 0.00 O ATOM 101 CB LEU A 8 1.326 -2.193 19.460 1.00 0.00 C ATOM 102 CG LEU A 8 2.781 -2.530 19.798 1.00 0.00 C ATOM 103 CD1 LEU A 8 3.563 -2.765 18.504 1.00 0.00 C ATOM 104 CD2 LEU A 8 3.407 -1.366 20.570 1.00 0.00 C ATOM 0 H LEU A 8 -1.022 -2.083 18.864 1.00 0.00 H new ATOM 0 HA LEU A 8 1.171 -3.982 18.219 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.289 -1.431 18.681 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.824 -1.779 20.335 1.00 0.00 H new ATOM 0 HG LEU A 8 2.814 -3.431 20.410 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.599 -3.005 18.743 1.00 0.00 H new ATOM 0 HD12 LEU A 8 3.116 -3.593 17.954 1.00 0.00 H new ATOM 0 HD13 LEU A 8 3.532 -1.864 17.891 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.443 -1.605 20.811 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.375 -0.465 19.958 1.00 0.00 H new ATOM 0 HD23 LEU A 8 2.849 -1.199 21.491 1.00 0.00 H new ATOM 116 N VAL A 9 1.292 -5.411 20.264 1.00 0.00 N ATOM 117 CA VAL A 9 1.165 -6.396 21.377 1.00 0.00 C ATOM 118 C VAL A 9 2.542 -6.930 21.775 1.00 0.00 C ATOM 119 O VAL A 9 3.527 -6.706 21.100 1.00 0.00 O ATOM 120 CB VAL A 9 0.300 -7.524 20.810 1.00 0.00 C ATOM 121 CG1 VAL A 9 -1.107 -6.996 20.526 1.00 0.00 C ATOM 122 CG2 VAL A 9 0.924 -8.039 19.512 1.00 0.00 C ATOM 0 H VAL A 9 2.078 -5.567 19.633 1.00 0.00 H new ATOM 0 HA VAL A 9 0.727 -5.952 22.271 1.00 0.00 H new ATOM 0 HB VAL A 9 0.242 -8.337 21.534 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.723 -7.800 20.122 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.551 -6.628 21.451 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.051 -6.183 19.802 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.309 -8.843 19.107 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.982 -7.226 18.788 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.926 -8.416 19.715 1.00 0.00 H new ATOM 132 N ILE A 10 2.614 -7.644 22.865 1.00 0.00 N ATOM 133 CA ILE A 10 3.923 -8.204 23.307 1.00 0.00 C ATOM 134 C ILE A 10 3.900 -9.729 23.185 1.00 0.00 C ATOM 135 O ILE A 10 2.885 -10.361 23.398 1.00 0.00 O ATOM 136 CB ILE A 10 4.062 -7.781 24.770 1.00 0.00 C ATOM 137 CG1 ILE A 10 4.039 -6.254 24.865 1.00 0.00 C ATOM 138 CG2 ILE A 10 5.385 -8.308 25.329 1.00 0.00 C ATOM 139 CD1 ILE A 10 3.942 -5.836 26.333 1.00 0.00 C ATOM 0 H ILE A 10 1.822 -7.864 23.469 1.00 0.00 H new ATOM 0 HA ILE A 10 4.757 -7.846 22.704 1.00 0.00 H new ATOM 0 HB ILE A 10 3.234 -8.192 25.347 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.941 -5.837 24.416 1.00 0.00 H new ATOM 0 HG13 ILE A 10 3.192 -5.857 24.306 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.485 -8.007 26.372 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.401 -9.396 25.262 1.00 0.00 H new ATOM 0 HG23 ILE A 10 6.213 -7.897 24.752 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.926 -4.748 26.401 1.00 0.00 H new ATOM 0 HD12 ILE A 10 3.028 -6.241 26.767 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.804 -6.221 26.879 1.00 0.00 H new ATOM 151 N ALA A 11 5.007 -10.327 22.840 1.00 0.00 N ATOM 152 CA ALA A 11 5.032 -11.810 22.702 1.00 0.00 C ATOM 153 C ALA A 11 5.105 -12.472 24.081 1.00 0.00 C ATOM 154 O ALA A 11 6.078 -12.340 24.792 1.00 0.00 O ATOM 155 CB ALA A 11 6.298 -12.109 21.898 1.00 0.00 C ATOM 0 H ALA A 11 5.891 -9.856 22.649 1.00 0.00 H new ATOM 0 HA ALA A 11 4.136 -12.194 22.214 1.00 0.00 H new ATOM 0 HB1 ALA A 11 6.391 -13.185 21.752 1.00 0.00 H new ATOM 0 HB2 ALA A 11 6.238 -11.615 20.928 1.00 0.00 H new ATOM 0 HB3 ALA A 11 7.169 -11.740 22.440 1.00 0.00 H new ATOM 161 N LEU A 12 4.088 -13.193 24.460 1.00 0.00 N ATOM 162 CA LEU A 12 4.115 -13.869 25.787 1.00 0.00 C ATOM 163 C LEU A 12 5.069 -15.064 25.727 1.00 0.00 C ATOM 164 O LEU A 12 5.607 -15.498 26.726 1.00 0.00 O ATOM 165 CB LEU A 12 2.679 -14.335 26.027 1.00 0.00 C ATOM 166 CG LEU A 12 1.732 -13.136 25.946 1.00 0.00 C ATOM 167 CD1 LEU A 12 0.302 -13.595 26.232 1.00 0.00 C ATOM 168 CD2 LEU A 12 2.147 -12.088 26.980 1.00 0.00 C ATOM 0 H LEU A 12 3.242 -13.344 23.911 1.00 0.00 H new ATOM 0 HA LEU A 12 4.461 -13.215 26.587 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.400 -15.083 25.285 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.598 -14.810 27.005 1.00 0.00 H new ATOM 0 HG LEU A 12 1.781 -12.701 24.948 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.373 -12.741 26.174 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.006 -14.342 25.496 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.252 -14.030 27.230 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.473 -11.233 26.923 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.098 -12.523 27.978 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.166 -11.760 26.777 1.00 0.00 H new ATOM 180 N HIS A 13 5.276 -15.595 24.553 1.00 0.00 N ATOM 181 CA HIS A 13 6.189 -16.761 24.398 1.00 0.00 C ATOM 182 C HIS A 13 6.613 -16.888 22.933 1.00 0.00 C ATOM 183 O HIS A 13 5.853 -16.588 22.035 1.00 0.00 O ATOM 184 CB HIS A 13 5.349 -17.966 24.816 1.00 0.00 C ATOM 185 CG HIS A 13 5.237 -18.008 26.315 1.00 0.00 C ATOM 186 ND1 HIS A 13 6.265 -18.470 27.122 1.00 0.00 N ATOM 187 CD2 HIS A 13 4.224 -17.647 27.169 1.00 0.00 C ATOM 188 CE1 HIS A 13 5.851 -18.377 28.399 1.00 0.00 C ATOM 189 NE2 HIS A 13 4.615 -17.880 28.484 1.00 0.00 N ATOM 0 H HIS A 13 4.847 -15.267 23.687 1.00 0.00 H new ATOM 0 HA HIS A 13 7.098 -16.670 24.992 1.00 0.00 H new ATOM 0 HB2 HIS A 13 4.357 -17.903 24.369 1.00 0.00 H new ATOM 0 HB3 HIS A 13 5.806 -18.885 24.450 1.00 0.00 H new ATOM 0 HD2 HIS A 13 3.269 -17.244 26.866 1.00 0.00 H new ATOM 0 HE1 HIS A 13 6.446 -18.669 29.251 1.00 0.00 H new ATOM 0 HE2 HIS A 13 4.073 -17.708 29.331 1.00 0.00 H new ATOM 197 N SER A 14 7.812 -17.331 22.676 1.00 0.00 N ATOM 198 CA SER A 14 8.258 -17.472 21.259 1.00 0.00 C ATOM 199 C SER A 14 7.348 -18.457 20.522 1.00 0.00 C ATOM 200 O SER A 14 6.922 -19.450 21.076 1.00 0.00 O ATOM 201 CB SER A 14 9.686 -18.012 21.342 1.00 0.00 C ATOM 202 OG SER A 14 9.652 -19.385 21.705 1.00 0.00 O ATOM 0 H SER A 14 8.500 -17.600 23.380 1.00 0.00 H new ATOM 0 HA SER A 14 8.216 -16.529 20.713 1.00 0.00 H new ATOM 0 HB2 SER A 14 10.189 -17.891 20.382 1.00 0.00 H new ATOM 0 HB3 SER A 14 10.259 -17.445 22.076 1.00 0.00 H new ATOM 0 HG SER A 14 10.567 -19.732 21.757 1.00 0.00 H new ATOM 208 N TYR A 15 7.042 -18.196 19.278 1.00 0.00 N ATOM 209 CA TYR A 15 6.154 -19.133 18.529 1.00 0.00 C ATOM 210 C TYR A 15 6.983 -20.070 17.645 1.00 0.00 C ATOM 211 O TYR A 15 8.115 -19.785 17.309 1.00 0.00 O ATOM 212 CB TYR A 15 5.261 -18.240 17.668 1.00 0.00 C ATOM 213 CG TYR A 15 4.432 -19.107 16.752 1.00 0.00 C ATOM 214 CD1 TYR A 15 3.525 -20.026 17.291 1.00 0.00 C ATOM 215 CD2 TYR A 15 4.572 -18.992 15.365 1.00 0.00 C ATOM 216 CE1 TYR A 15 2.757 -20.832 16.442 1.00 0.00 C ATOM 217 CE2 TYR A 15 3.805 -19.799 14.514 1.00 0.00 C ATOM 218 CZ TYR A 15 2.898 -20.718 15.053 1.00 0.00 C ATOM 219 OH TYR A 15 2.142 -21.513 14.216 1.00 0.00 O ATOM 0 H TYR A 15 7.365 -17.383 18.753 1.00 0.00 H new ATOM 0 HA TYR A 15 5.573 -19.765 19.201 1.00 0.00 H new ATOM 0 HB2 TYR A 15 4.613 -17.634 18.301 1.00 0.00 H new ATOM 0 HB3 TYR A 15 5.870 -17.551 17.084 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.417 -20.114 18.362 1.00 0.00 H new ATOM 0 HD2 TYR A 15 5.271 -18.281 14.950 1.00 0.00 H new ATOM 0 HE1 TYR A 15 2.056 -21.541 16.858 1.00 0.00 H new ATOM 0 HE2 TYR A 15 3.914 -19.712 13.443 1.00 0.00 H new ATOM 0 HH TYR A 15 1.222 -21.559 14.551 1.00 0.00 H new ATOM 229 N GLU A 16 6.421 -21.185 17.265 1.00 0.00 N ATOM 230 CA GLU A 16 7.168 -22.143 16.401 1.00 0.00 C ATOM 231 C GLU A 16 6.571 -22.154 14.990 1.00 0.00 C ATOM 232 O GLU A 16 5.776 -23.010 14.657 1.00 0.00 O ATOM 233 CB GLU A 16 6.985 -23.506 17.070 1.00 0.00 C ATOM 234 CG GLU A 16 8.322 -24.251 17.084 1.00 0.00 C ATOM 235 CD GLU A 16 8.104 -25.677 17.594 1.00 0.00 C ATOM 236 OE1 GLU A 16 8.096 -25.858 18.801 1.00 0.00 O ATOM 237 OE2 GLU A 16 7.952 -26.563 16.770 1.00 0.00 O ATOM 0 H GLU A 16 5.476 -21.474 17.516 1.00 0.00 H new ATOM 0 HA GLU A 16 8.220 -21.877 16.301 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.618 -23.377 18.088 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.237 -24.089 16.533 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.749 -24.273 16.081 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.035 -23.730 17.723 1.00 0.00 H new ATOM 244 N PRO A 17 6.977 -21.191 14.209 1.00 0.00 N ATOM 245 CA PRO A 17 6.453 -21.112 12.820 1.00 0.00 C ATOM 246 C PRO A 17 6.549 -22.477 12.134 1.00 0.00 C ATOM 247 O PRO A 17 7.612 -22.907 11.731 1.00 0.00 O ATOM 248 CB PRO A 17 7.366 -20.100 12.137 1.00 0.00 C ATOM 249 CG PRO A 17 8.639 -20.147 12.914 1.00 0.00 C ATOM 250 CD PRO A 17 8.277 -20.514 14.329 1.00 0.00 C ATOM 0 HA PRO A 17 5.403 -20.821 12.781 1.00 0.00 H new ATOM 0 HB2 PRO A 17 7.531 -20.360 11.091 1.00 0.00 H new ATOM 0 HB3 PRO A 17 6.930 -19.101 12.152 1.00 0.00 H new ATOM 0 HG2 PRO A 17 9.324 -20.880 12.488 1.00 0.00 H new ATOM 0 HG3 PRO A 17 9.146 -19.182 12.883 1.00 0.00 H new ATOM 0 HD2 PRO A 17 9.026 -21.168 14.774 1.00 0.00 H new ATOM 0 HD3 PRO A 17 8.208 -19.630 14.964 1.00 0.00 H new ATOM 258 N SER A 18 5.446 -23.161 11.994 1.00 0.00 N ATOM 259 CA SER A 18 5.476 -24.497 11.330 1.00 0.00 C ATOM 260 C SER A 18 5.492 -24.330 9.809 1.00 0.00 C ATOM 261 O SER A 18 5.515 -25.293 9.069 1.00 0.00 O ATOM 262 CB SER A 18 4.192 -25.193 11.782 1.00 0.00 C ATOM 263 OG SER A 18 3.072 -24.393 11.435 1.00 0.00 O ATOM 0 H SER A 18 4.526 -22.854 12.310 1.00 0.00 H new ATOM 0 HA SER A 18 6.364 -25.071 11.595 1.00 0.00 H new ATOM 0 HB2 SER A 18 4.112 -26.173 11.311 1.00 0.00 H new ATOM 0 HB3 SER A 18 4.215 -25.358 12.859 1.00 0.00 H new ATOM 0 HG SER A 18 3.300 -23.825 10.669 1.00 0.00 H new ATOM 269 N HIS A 19 5.480 -23.113 9.334 1.00 0.00 N ATOM 270 CA HIS A 19 5.495 -22.888 7.860 1.00 0.00 C ATOM 271 C HIS A 19 6.503 -21.791 7.504 1.00 0.00 C ATOM 272 O HIS A 19 7.118 -21.196 8.367 1.00 0.00 O ATOM 273 CB HIS A 19 4.072 -22.447 7.514 1.00 0.00 C ATOM 274 CG HIS A 19 3.099 -23.504 7.960 1.00 0.00 C ATOM 275 ND1 HIS A 19 2.401 -23.410 9.154 1.00 0.00 N ATOM 276 CD2 HIS A 19 2.701 -24.685 7.383 1.00 0.00 C ATOM 277 CE1 HIS A 19 1.625 -24.505 9.256 1.00 0.00 C ATOM 278 NE2 HIS A 19 1.769 -25.315 8.205 1.00 0.00 N ATOM 0 H HIS A 19 5.460 -22.266 9.902 1.00 0.00 H new ATOM 0 HA HIS A 19 5.790 -23.780 7.307 1.00 0.00 H new ATOM 0 HB2 HIS A 19 3.845 -21.499 8.001 1.00 0.00 H new ATOM 0 HB3 HIS A 19 3.981 -22.283 6.440 1.00 0.00 H new ATOM 0 HD1 HIS A 19 2.464 -22.650 9.831 1.00 0.00 H new ATOM 0 HD2 HIS A 19 3.056 -25.067 6.437 1.00 0.00 H new ATOM 0 HE1 HIS A 19 0.966 -24.704 10.088 1.00 0.00 H new ATOM 286 N ASP A 20 6.681 -21.522 6.239 1.00 0.00 N ATOM 287 CA ASP A 20 7.653 -20.467 5.830 1.00 0.00 C ATOM 288 C ASP A 20 7.011 -19.081 5.928 1.00 0.00 C ATOM 289 O ASP A 20 7.681 -18.070 5.846 1.00 0.00 O ATOM 290 CB ASP A 20 8.002 -20.792 4.377 1.00 0.00 C ATOM 291 CG ASP A 20 8.566 -22.212 4.292 1.00 0.00 C ATOM 292 OD1 ASP A 20 8.936 -22.743 5.326 1.00 0.00 O ATOM 293 OD2 ASP A 20 8.618 -22.743 3.195 1.00 0.00 O ATOM 0 H ASP A 20 6.196 -21.987 5.471 1.00 0.00 H new ATOM 0 HA ASP A 20 8.535 -20.452 6.470 1.00 0.00 H new ATOM 0 HB2 ASP A 20 7.114 -20.704 3.750 1.00 0.00 H new ATOM 0 HB3 ASP A 20 8.732 -20.076 3.998 1.00 0.00 H new ATOM 298 N GLY A 21 5.719 -19.021 6.100 1.00 0.00 N ATOM 299 CA GLY A 21 5.042 -17.698 6.199 1.00 0.00 C ATOM 300 C GLY A 21 4.648 -17.429 7.653 1.00 0.00 C ATOM 301 O GLY A 21 3.730 -16.684 7.929 1.00 0.00 O ATOM 0 H GLY A 21 5.103 -19.831 6.176 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.706 -16.911 5.840 1.00 0.00 H new ATOM 0 HA3 GLY A 21 4.157 -17.683 5.563 1.00 0.00 H new ATOM 305 N ASP A 22 5.334 -18.029 8.586 1.00 0.00 N ATOM 306 CA ASP A 22 4.994 -17.804 10.020 1.00 0.00 C ATOM 307 C ASP A 22 6.113 -17.027 10.717 1.00 0.00 C ATOM 308 O ASP A 22 7.229 -16.960 10.240 1.00 0.00 O ATOM 309 CB ASP A 22 4.856 -19.204 10.621 1.00 0.00 C ATOM 310 CG ASP A 22 3.692 -19.935 9.952 1.00 0.00 C ATOM 311 OD1 ASP A 22 3.035 -19.329 9.121 1.00 0.00 O ATOM 312 OD2 ASP A 22 3.475 -21.090 10.282 1.00 0.00 O ATOM 0 H ASP A 22 6.114 -18.664 8.418 1.00 0.00 H new ATOM 0 HA ASP A 22 4.082 -17.218 10.139 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.780 -19.764 10.480 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.686 -19.135 11.695 1.00 0.00 H new ATOM 317 N LEU A 23 5.822 -16.441 11.848 1.00 0.00 N ATOM 318 CA LEU A 23 6.866 -15.673 12.583 1.00 0.00 C ATOM 319 C LEU A 23 7.143 -16.338 13.935 1.00 0.00 C ATOM 320 O LEU A 23 6.262 -16.477 14.758 1.00 0.00 O ATOM 321 CB LEU A 23 6.270 -14.278 12.779 1.00 0.00 C ATOM 322 CG LEU A 23 7.362 -13.316 13.249 1.00 0.00 C ATOM 323 CD1 LEU A 23 8.450 -13.215 12.177 1.00 0.00 C ATOM 324 CD2 LEU A 23 6.756 -11.932 13.490 1.00 0.00 C ATOM 0 H LEU A 23 4.905 -16.462 12.294 1.00 0.00 H new ATOM 0 HA LEU A 23 7.813 -15.634 12.044 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.835 -13.923 11.845 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.464 -14.315 13.512 1.00 0.00 H new ATOM 0 HG LEU A 23 7.798 -13.688 14.176 1.00 0.00 H new ATOM 0 HD11 LEU A 23 9.228 -12.529 12.512 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.884 -14.200 12.005 1.00 0.00 H new ATOM 0 HD13 LEU A 23 8.014 -12.844 11.250 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.535 -11.247 13.825 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.319 -11.560 12.563 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.981 -12.002 14.254 1.00 0.00 H new ATOM 336 N GLY A 24 8.358 -16.748 14.169 1.00 0.00 N ATOM 337 CA GLY A 24 8.684 -17.405 15.467 1.00 0.00 C ATOM 338 C GLY A 24 9.307 -16.382 16.416 1.00 0.00 C ATOM 339 O GLY A 24 10.357 -16.605 16.984 1.00 0.00 O ATOM 0 H GLY A 24 9.139 -16.657 13.519 1.00 0.00 H new ATOM 0 HA2 GLY A 24 7.781 -17.825 15.910 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.374 -18.233 15.304 1.00 0.00 H new ATOM 343 N PHE A 25 8.670 -15.257 16.589 1.00 0.00 N ATOM 344 CA PHE A 25 9.225 -14.211 17.495 1.00 0.00 C ATOM 345 C PHE A 25 9.659 -14.828 18.826 1.00 0.00 C ATOM 346 O PHE A 25 9.393 -15.978 19.106 1.00 0.00 O ATOM 347 CB PHE A 25 8.081 -13.211 17.708 1.00 0.00 C ATOM 348 CG PHE A 25 6.796 -13.943 18.039 1.00 0.00 C ATOM 349 CD1 PHE A 25 6.497 -14.268 19.367 1.00 0.00 C ATOM 350 CD2 PHE A 25 5.903 -14.293 17.017 1.00 0.00 C ATOM 351 CE1 PHE A 25 5.306 -14.942 19.672 1.00 0.00 C ATOM 352 CE2 PHE A 25 4.715 -14.967 17.322 1.00 0.00 C ATOM 353 CZ PHE A 25 4.416 -15.292 18.650 1.00 0.00 C ATOM 0 H PHE A 25 7.786 -15.016 16.141 1.00 0.00 H new ATOM 0 HA PHE A 25 10.107 -13.732 17.071 1.00 0.00 H new ATOM 0 HB2 PHE A 25 8.335 -12.525 18.516 1.00 0.00 H new ATOM 0 HB3 PHE A 25 7.943 -12.609 16.810 1.00 0.00 H new ATOM 0 HD1 PHE A 25 7.183 -14.000 20.157 1.00 0.00 H new ATOM 0 HD2 PHE A 25 6.132 -14.042 15.992 1.00 0.00 H new ATOM 0 HE1 PHE A 25 5.075 -15.191 20.697 1.00 0.00 H new ATOM 0 HE2 PHE A 25 4.029 -15.236 16.533 1.00 0.00 H new ATOM 0 HZ PHE A 25 3.499 -15.812 18.886 1.00 0.00 H new ATOM 363 N GLU A 26 10.335 -14.068 19.644 1.00 0.00 N ATOM 364 CA GLU A 26 10.798 -14.604 20.956 1.00 0.00 C ATOM 365 C GLU A 26 9.860 -14.147 22.077 1.00 0.00 C ATOM 366 O GLU A 26 8.908 -13.425 21.849 1.00 0.00 O ATOM 367 CB GLU A 26 12.194 -14.013 21.153 1.00 0.00 C ATOM 368 CG GLU A 26 13.117 -14.497 20.033 1.00 0.00 C ATOM 369 CD GLU A 26 14.533 -13.976 20.280 1.00 0.00 C ATOM 370 OE1 GLU A 26 14.695 -13.155 21.168 1.00 0.00 O ATOM 371 OE2 GLU A 26 15.432 -14.406 19.576 1.00 0.00 O ATOM 0 H GLU A 26 10.587 -13.097 19.460 1.00 0.00 H new ATOM 0 HA GLU A 26 10.808 -15.694 20.976 1.00 0.00 H new ATOM 0 HB2 GLU A 26 12.143 -12.924 21.151 1.00 0.00 H new ATOM 0 HB3 GLU A 26 12.593 -14.312 22.122 1.00 0.00 H new ATOM 0 HG2 GLU A 26 13.120 -15.586 19.995 1.00 0.00 H new ATOM 0 HG3 GLU A 26 12.752 -14.145 19.068 1.00 0.00 H new ATOM 378 N LYS A 27 10.127 -14.555 23.286 1.00 0.00 N ATOM 379 CA LYS A 27 9.256 -14.140 24.421 1.00 0.00 C ATOM 380 C LYS A 27 9.478 -12.660 24.738 1.00 0.00 C ATOM 381 O LYS A 27 10.573 -12.239 25.057 1.00 0.00 O ATOM 382 CB LYS A 27 9.694 -15.014 25.596 1.00 0.00 C ATOM 383 CG LYS A 27 8.792 -14.740 26.800 1.00 0.00 C ATOM 384 CD LYS A 27 8.981 -15.845 27.841 1.00 0.00 C ATOM 385 CE LYS A 27 7.913 -15.709 28.927 1.00 0.00 C ATOM 386 NZ LYS A 27 8.673 -15.705 30.209 1.00 0.00 N ATOM 0 H LYS A 27 10.910 -15.158 23.537 1.00 0.00 H new ATOM 0 HA LYS A 27 8.196 -14.262 24.198 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.640 -16.067 25.320 1.00 0.00 H new ATOM 0 HB3 LYS A 27 10.733 -14.805 25.851 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.033 -13.770 27.235 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.749 -14.697 26.485 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.909 -16.823 27.366 1.00 0.00 H new ATOM 0 HD3 LYS A 27 9.975 -15.777 28.283 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.339 -14.791 28.805 1.00 0.00 H new ATOM 0 HE3 LYS A 27 7.204 -16.536 28.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 8.010 -15.615 31.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 9.205 -16.594 30.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 9.335 -14.903 30.217 1.00 0.00 H new ATOM 400 N GLY A 28 8.447 -11.868 24.650 1.00 0.00 N ATOM 401 CA GLY A 28 8.594 -10.415 24.941 1.00 0.00 C ATOM 402 C GLY A 28 8.788 -9.654 23.629 1.00 0.00 C ATOM 403 O GLY A 28 8.769 -8.439 23.597 1.00 0.00 O ATOM 0 H GLY A 28 7.507 -12.165 24.389 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.711 -10.046 25.462 1.00 0.00 H new ATOM 0 HA3 GLY A 28 9.446 -10.249 25.601 1.00 0.00 H new ATOM 407 N GLU A 29 8.979 -10.356 22.544 1.00 0.00 N ATOM 408 CA GLU A 29 9.179 -9.664 21.239 1.00 0.00 C ATOM 409 C GLU A 29 7.951 -8.820 20.893 1.00 0.00 C ATOM 410 O GLU A 29 6.827 -9.271 20.991 1.00 0.00 O ATOM 411 CB GLU A 29 9.360 -10.786 20.216 1.00 0.00 C ATOM 412 CG GLU A 29 9.805 -10.187 18.880 1.00 0.00 C ATOM 413 CD GLU A 29 10.253 -11.308 17.941 1.00 0.00 C ATOM 414 OE1 GLU A 29 11.132 -12.061 18.328 1.00 0.00 O ATOM 415 OE2 GLU A 29 9.710 -11.395 16.852 1.00 0.00 O ATOM 0 H GLU A 29 9.005 -11.375 22.505 1.00 0.00 H new ATOM 0 HA GLU A 29 10.034 -8.989 21.260 1.00 0.00 H new ATOM 0 HB2 GLU A 29 10.101 -11.501 20.572 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.425 -11.332 20.089 1.00 0.00 H new ATOM 0 HG2 GLU A 29 8.985 -9.627 18.430 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.622 -9.483 19.039 1.00 0.00 H new ATOM 422 N GLN A 30 8.157 -7.597 20.485 1.00 0.00 N ATOM 423 CA GLN A 30 7.001 -6.726 20.130 1.00 0.00 C ATOM 424 C GLN A 30 6.505 -7.067 18.723 1.00 0.00 C ATOM 425 O GLN A 30 7.271 -7.127 17.781 1.00 0.00 O ATOM 426 CB GLN A 30 7.550 -5.299 20.176 1.00 0.00 C ATOM 427 CG GLN A 30 8.168 -5.034 21.550 1.00 0.00 C ATOM 428 CD GLN A 30 8.243 -3.526 21.797 1.00 0.00 C ATOM 429 OE1 GLN A 30 7.755 -3.037 22.797 1.00 0.00 O ATOM 430 NE2 GLN A 30 8.836 -2.761 20.920 1.00 0.00 N ATOM 0 H GLN A 30 9.075 -7.164 20.382 1.00 0.00 H new ATOM 0 HA GLN A 30 6.157 -6.857 20.808 1.00 0.00 H new ATOM 0 HB2 GLN A 30 8.299 -5.161 19.396 1.00 0.00 H new ATOM 0 HB3 GLN A 30 6.751 -4.584 19.981 1.00 0.00 H new ATOM 0 HG2 GLN A 30 7.570 -5.511 22.327 1.00 0.00 H new ATOM 0 HG3 GLN A 30 9.165 -5.471 21.602 1.00 0.00 H new ATOM 0 HE21 GLN A 30 9.246 -3.170 20.080 1.00 0.00 H new ATOM 0 HE22 GLN A 30 8.889 -1.754 21.075 1.00 0.00 H new ATOM 439 N LEU A 31 5.230 -7.297 18.572 1.00 0.00 N ATOM 440 CA LEU A 31 4.691 -7.640 17.225 1.00 0.00 C ATOM 441 C LEU A 31 3.480 -6.764 16.895 1.00 0.00 C ATOM 442 O LEU A 31 2.751 -6.337 17.769 1.00 0.00 O ATOM 443 CB LEU A 31 4.279 -9.107 17.327 1.00 0.00 C ATOM 444 CG LEU A 31 5.432 -9.921 17.917 1.00 0.00 C ATOM 445 CD1 LEU A 31 4.943 -11.333 18.248 1.00 0.00 C ATOM 446 CD2 LEU A 31 6.572 -10.002 16.900 1.00 0.00 C ATOM 0 H LEU A 31 4.539 -7.263 19.321 1.00 0.00 H new ATOM 0 HA LEU A 31 5.423 -7.474 16.435 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.393 -9.204 17.954 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.016 -9.491 16.342 1.00 0.00 H new ATOM 0 HG LEU A 31 5.790 -9.438 18.826 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.764 -11.913 18.668 1.00 0.00 H new ATOM 0 HD12 LEU A 31 4.131 -11.276 18.973 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.585 -11.817 17.339 1.00 0.00 H new ATOM 0 HD21 LEU A 31 7.394 -10.582 17.320 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.215 -10.485 15.991 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.921 -8.997 16.664 1.00 0.00 H new ATOM 458 N ARG A 32 3.258 -6.500 15.637 1.00 0.00 N ATOM 459 CA ARG A 32 2.092 -5.659 15.244 1.00 0.00 C ATOM 460 C ARG A 32 1.002 -6.539 14.625 1.00 0.00 C ATOM 461 O ARG A 32 1.284 -7.458 13.884 1.00 0.00 O ATOM 462 CB ARG A 32 2.646 -4.673 14.212 1.00 0.00 C ATOM 463 CG ARG A 32 1.492 -4.061 13.415 1.00 0.00 C ATOM 464 CD ARG A 32 2.028 -2.941 12.520 1.00 0.00 C ATOM 465 NE ARG A 32 2.605 -3.641 11.337 1.00 0.00 N ATOM 466 CZ ARG A 32 3.463 -3.026 10.569 1.00 0.00 C ATOM 467 NH1 ARG A 32 3.052 -2.413 9.494 1.00 0.00 N ATOM 468 NH2 ARG A 32 4.731 -3.026 10.878 1.00 0.00 N ATOM 0 H ARG A 32 3.834 -6.831 14.863 1.00 0.00 H new ATOM 0 HA ARG A 32 1.642 -5.144 16.092 1.00 0.00 H new ATOM 0 HB2 ARG A 32 3.212 -3.888 14.712 1.00 0.00 H new ATOM 0 HB3 ARG A 32 3.335 -5.184 13.539 1.00 0.00 H new ATOM 0 HG2 ARG A 32 1.009 -4.827 12.808 1.00 0.00 H new ATOM 0 HG3 ARG A 32 0.735 -3.668 14.094 1.00 0.00 H new ATOM 0 HD2 ARG A 32 1.233 -2.256 12.225 1.00 0.00 H new ATOM 0 HD3 ARG A 32 2.784 -2.349 13.037 1.00 0.00 H new ATOM 0 HE ARG A 32 2.329 -4.600 11.128 1.00 0.00 H new ATOM 0 HH11 ARG A 32 2.061 -2.414 9.254 1.00 0.00 H new ATOM 0 HH12 ARG A 32 3.722 -1.932 8.893 1.00 0.00 H new ATOM 0 HH21 ARG A 32 5.051 -3.506 11.719 1.00 0.00 H new ATOM 0 HH22 ARG A 32 5.402 -2.546 10.278 1.00 0.00 H new ATOM 482 N ILE A 33 -0.238 -6.266 14.923 1.00 0.00 N ATOM 483 CA ILE A 33 -1.339 -7.092 14.350 1.00 0.00 C ATOM 484 C ILE A 33 -1.831 -6.478 13.036 1.00 0.00 C ATOM 485 O ILE A 33 -2.016 -5.282 12.930 1.00 0.00 O ATOM 486 CB ILE A 33 -2.445 -7.065 15.405 1.00 0.00 C ATOM 487 CG1 ILE A 33 -1.872 -7.495 16.757 1.00 0.00 C ATOM 488 CG2 ILE A 33 -3.562 -8.029 14.997 1.00 0.00 C ATOM 489 CD1 ILE A 33 -2.936 -7.320 17.841 1.00 0.00 C ATOM 0 H ILE A 33 -0.537 -5.508 15.537 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.019 -8.109 14.124 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.846 -6.055 15.484 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.550 -8.535 16.713 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.992 -6.899 16.997 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -4.351 -8.011 15.749 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.971 -7.725 14.034 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.160 -9.039 14.918 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.528 -7.626 18.804 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -3.236 -6.273 17.890 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -3.803 -7.935 17.602 1.00 0.00 H new ATOM 501 N LEU A 34 -2.044 -7.288 12.035 1.00 0.00 N ATOM 502 CA LEU A 34 -2.523 -6.750 10.729 1.00 0.00 C ATOM 503 C LEU A 34 -3.740 -7.542 10.240 1.00 0.00 C ATOM 504 O LEU A 34 -4.605 -7.016 9.567 1.00 0.00 O ATOM 505 CB LEU A 34 -1.344 -6.931 9.771 1.00 0.00 C ATOM 506 CG LEU A 34 -0.215 -5.976 10.165 1.00 0.00 C ATOM 507 CD1 LEU A 34 1.032 -6.294 9.339 1.00 0.00 C ATOM 508 CD2 LEU A 34 -0.651 -4.534 9.898 1.00 0.00 C ATOM 0 H LEU A 34 -1.907 -8.298 12.065 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.834 -5.708 10.802 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.991 -7.962 9.803 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.660 -6.734 8.747 1.00 0.00 H new ATOM 0 HG LEU A 34 0.011 -6.096 11.225 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.837 -5.614 9.619 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.342 -7.321 9.529 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.807 -6.173 8.279 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.153 -3.853 10.178 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.877 -4.412 8.839 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.540 -4.308 10.487 1.00 0.00 H new ATOM 520 N GLU A 35 -3.813 -8.802 10.570 1.00 0.00 N ATOM 521 CA GLU A 35 -4.974 -9.623 10.121 1.00 0.00 C ATOM 522 C GLU A 35 -5.606 -10.346 11.313 1.00 0.00 C ATOM 523 O GLU A 35 -4.931 -10.733 12.246 1.00 0.00 O ATOM 524 CB GLU A 35 -4.387 -10.631 9.132 1.00 0.00 C ATOM 525 CG GLU A 35 -5.523 -11.407 8.461 1.00 0.00 C ATOM 526 CD GLU A 35 -4.935 -12.534 7.609 1.00 0.00 C ATOM 527 OE1 GLU A 35 -3.724 -12.568 7.460 1.00 0.00 O ATOM 528 OE2 GLU A 35 -5.705 -13.344 7.120 1.00 0.00 O ATOM 0 H GLU A 35 -3.120 -9.299 11.130 1.00 0.00 H new ATOM 0 HA GLU A 35 -5.758 -9.016 9.668 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -3.791 -10.114 8.380 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -3.719 -11.319 9.650 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -6.193 -11.819 9.216 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.117 -10.738 7.839 1.00 0.00 H new ATOM 535 N GLN A 36 -6.897 -10.533 11.288 1.00 0.00 N ATOM 536 CA GLN A 36 -7.573 -11.233 12.419 1.00 0.00 C ATOM 537 C GLN A 36 -8.693 -12.131 11.889 1.00 0.00 C ATOM 538 O GLN A 36 -9.843 -11.988 12.255 1.00 0.00 O ATOM 539 CB GLN A 36 -8.146 -10.116 13.290 1.00 0.00 C ATOM 540 CG GLN A 36 -8.585 -10.695 14.637 1.00 0.00 C ATOM 541 CD GLN A 36 -9.130 -9.572 15.523 1.00 0.00 C ATOM 542 OE1 GLN A 36 -8.882 -8.410 15.273 1.00 0.00 O ATOM 543 NE2 GLN A 36 -9.867 -9.873 16.557 1.00 0.00 N ATOM 0 H GLN A 36 -7.514 -10.232 10.534 1.00 0.00 H new ATOM 0 HA GLN A 36 -6.890 -11.874 12.977 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -7.397 -9.339 13.443 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -8.994 -9.648 12.789 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -9.350 -11.457 14.485 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -7.742 -11.183 15.127 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -10.076 -10.849 16.768 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -10.234 -9.132 17.154 1.00 0.00 H new ATOM 552 N SER A 37 -8.366 -13.056 11.027 1.00 0.00 N ATOM 553 CA SER A 37 -9.414 -13.962 10.474 1.00 0.00 C ATOM 554 C SER A 37 -9.113 -15.413 10.854 1.00 0.00 C ATOM 555 O SER A 37 -8.130 -15.986 10.426 1.00 0.00 O ATOM 556 CB SER A 37 -9.337 -13.777 8.958 1.00 0.00 C ATOM 557 OG SER A 37 -10.392 -14.499 8.340 1.00 0.00 O ATOM 0 H SER A 37 -7.421 -13.223 10.682 1.00 0.00 H new ATOM 0 HA SER A 37 -10.406 -13.732 10.863 1.00 0.00 H new ATOM 0 HB2 SER A 37 -9.409 -12.719 8.706 1.00 0.00 H new ATOM 0 HB3 SER A 37 -8.375 -14.128 8.586 1.00 0.00 H new ATOM 0 HG SER A 37 -10.345 -14.380 7.368 1.00 0.00 H new ATOM 563 N GLY A 38 -9.951 -16.013 11.654 1.00 0.00 N ATOM 564 CA GLY A 38 -9.711 -17.426 12.060 1.00 0.00 C ATOM 565 C GLY A 38 -9.051 -17.457 13.439 1.00 0.00 C ATOM 566 O GLY A 38 -9.102 -16.498 14.184 1.00 0.00 O ATOM 0 H GLY A 38 -10.791 -15.586 12.044 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.653 -17.973 12.084 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.073 -17.922 11.329 1.00 0.00 H new ATOM 570 N GLU A 39 -8.430 -18.551 13.787 1.00 0.00 N ATOM 571 CA GLU A 39 -7.767 -18.641 15.119 1.00 0.00 C ATOM 572 C GLU A 39 -6.364 -18.031 15.055 1.00 0.00 C ATOM 573 O GLU A 39 -5.857 -17.514 16.029 1.00 0.00 O ATOM 574 CB GLU A 39 -7.689 -20.138 15.421 1.00 0.00 C ATOM 575 CG GLU A 39 -9.100 -20.729 15.435 1.00 0.00 C ATOM 576 CD GLU A 39 -9.019 -22.240 15.658 1.00 0.00 C ATOM 577 OE1 GLU A 39 -7.934 -22.781 15.521 1.00 0.00 O ATOM 578 OE2 GLU A 39 -10.042 -22.830 15.962 1.00 0.00 O ATOM 0 H GLU A 39 -8.353 -19.386 13.207 1.00 0.00 H new ATOM 0 HA GLU A 39 -8.313 -18.097 15.890 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -7.080 -20.640 14.669 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -7.205 -20.301 16.384 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -9.692 -20.266 16.224 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -9.604 -20.516 14.492 1.00 0.00 H new ATOM 585 N TRP A 40 -5.734 -18.089 13.913 1.00 0.00 N ATOM 586 CA TRP A 40 -4.363 -17.511 13.787 1.00 0.00 C ATOM 587 C TRP A 40 -4.439 -16.090 13.221 1.00 0.00 C ATOM 588 O TRP A 40 -5.278 -15.784 12.398 1.00 0.00 O ATOM 589 CB TRP A 40 -3.633 -18.436 12.813 1.00 0.00 C ATOM 590 CG TRP A 40 -3.486 -19.791 13.425 1.00 0.00 C ATOM 591 CD1 TRP A 40 -4.390 -20.792 13.326 1.00 0.00 C ATOM 592 CD2 TRP A 40 -2.385 -20.312 14.224 1.00 0.00 C ATOM 593 NE1 TRP A 40 -3.915 -21.894 14.015 1.00 0.00 N ATOM 594 CE2 TRP A 40 -2.682 -21.647 14.586 1.00 0.00 C ATOM 595 CE3 TRP A 40 -1.170 -19.760 14.667 1.00 0.00 C ATOM 596 CZ2 TRP A 40 -1.805 -22.408 15.360 1.00 0.00 C ATOM 597 CZ3 TRP A 40 -0.284 -20.522 15.446 1.00 0.00 C ATOM 598 CH2 TRP A 40 -0.601 -21.844 15.791 1.00 0.00 C ATOM 0 H TRP A 40 -6.108 -18.511 13.063 1.00 0.00 H new ATOM 0 HA TRP A 40 -3.852 -17.444 14.748 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -4.188 -18.507 11.877 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -2.652 -18.026 12.572 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -5.329 -20.740 12.796 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -4.414 -22.780 14.092 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -0.916 -18.743 14.406 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -2.055 -23.425 15.624 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 0.646 -20.088 15.781 1.00 0.00 H new ATOM 0 HH2 TRP A 40 0.085 -22.426 16.389 1.00 0.00 H new ATOM 609 N TRP A 41 -3.569 -15.219 13.657 1.00 0.00 N ATOM 610 CA TRP A 41 -3.595 -13.819 13.141 1.00 0.00 C ATOM 611 C TRP A 41 -2.272 -13.485 12.445 1.00 0.00 C ATOM 612 O TRP A 41 -1.239 -14.045 12.754 1.00 0.00 O ATOM 613 CB TRP A 41 -3.782 -12.944 14.380 1.00 0.00 C ATOM 614 CG TRP A 41 -5.163 -13.131 14.922 1.00 0.00 C ATOM 615 CD1 TRP A 41 -6.195 -13.687 14.248 1.00 0.00 C ATOM 616 CD2 TRP A 41 -5.681 -12.770 16.236 1.00 0.00 C ATOM 617 NE1 TRP A 41 -7.312 -13.693 15.063 1.00 0.00 N ATOM 618 CE2 TRP A 41 -7.045 -13.137 16.300 1.00 0.00 C ATOM 619 CE3 TRP A 41 -5.103 -12.166 17.367 1.00 0.00 C ATOM 620 CZ2 TRP A 41 -7.810 -12.913 17.445 1.00 0.00 C ATOM 621 CZ3 TRP A 41 -5.869 -11.939 18.521 1.00 0.00 C ATOM 622 CH2 TRP A 41 -7.220 -12.311 18.560 1.00 0.00 C ATOM 0 H TRP A 41 -2.843 -15.415 14.346 1.00 0.00 H new ATOM 0 HA TRP A 41 -4.387 -13.665 12.408 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -3.044 -13.207 15.138 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -3.619 -11.897 14.126 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -6.154 -14.065 13.237 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -8.221 -14.062 14.785 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -4.063 -11.875 17.347 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -8.850 -13.203 17.470 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -5.415 -11.475 19.384 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -7.804 -12.133 19.451 1.00 0.00 H new ATOM 633 N LYS A 42 -2.296 -12.575 11.509 1.00 0.00 N ATOM 634 CA LYS A 42 -1.042 -12.201 10.795 1.00 0.00 C ATOM 635 C LYS A 42 -0.468 -10.909 11.384 1.00 0.00 C ATOM 636 O LYS A 42 -1.032 -9.844 11.230 1.00 0.00 O ATOM 637 CB LYS A 42 -1.465 -11.988 9.341 1.00 0.00 C ATOM 638 CG LYS A 42 -0.266 -12.218 8.419 1.00 0.00 C ATOM 639 CD LYS A 42 -0.685 -11.975 6.967 1.00 0.00 C ATOM 640 CE LYS A 42 0.555 -11.976 6.071 1.00 0.00 C ATOM 641 NZ LYS A 42 0.472 -13.253 5.307 1.00 0.00 N ATOM 0 H LYS A 42 -3.132 -12.074 11.208 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.268 -12.963 10.886 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.272 -12.673 9.082 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -1.850 -10.977 9.208 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.549 -11.547 8.691 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.106 -13.236 8.536 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -1.381 -12.749 6.644 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.207 -11.022 6.883 1.00 0.00 H new ATOM 0 HE2 LYS A 42 0.561 -11.115 5.403 1.00 0.00 H new ATOM 0 HE3 LYS A 42 1.470 -11.927 6.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 1.419 -13.515 4.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 0.107 -14.005 5.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -0.167 -13.131 4.496 1.00 0.00 H new ATOM 655 N ALA A 43 0.644 -10.994 12.062 1.00 0.00 N ATOM 656 CA ALA A 43 1.241 -9.766 12.665 1.00 0.00 C ATOM 657 C ALA A 43 2.561 -9.410 11.974 1.00 0.00 C ATOM 658 O ALA A 43 3.041 -10.125 11.116 1.00 0.00 O ATOM 659 CB ALA A 43 1.487 -10.126 14.130 1.00 0.00 C ATOM 0 H ALA A 43 1.164 -11.856 12.225 1.00 0.00 H new ATOM 0 HA ALA A 43 0.588 -8.900 12.557 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.927 -9.272 14.646 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.541 -10.388 14.604 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.169 -10.975 14.187 1.00 0.00 H new ATOM 665 N GLN A 44 3.148 -8.302 12.342 1.00 0.00 N ATOM 666 CA GLN A 44 4.434 -7.884 11.713 1.00 0.00 C ATOM 667 C GLN A 44 5.387 -7.340 12.783 1.00 0.00 C ATOM 668 O GLN A 44 4.965 -6.740 13.751 1.00 0.00 O ATOM 669 CB GLN A 44 4.044 -6.780 10.730 1.00 0.00 C ATOM 670 CG GLN A 44 5.209 -6.499 9.778 1.00 0.00 C ATOM 671 CD GLN A 44 4.858 -5.304 8.889 1.00 0.00 C ATOM 672 OE1 GLN A 44 3.698 -5.004 8.685 1.00 0.00 O ATOM 673 NE2 GLN A 44 5.817 -4.605 8.346 1.00 0.00 N ATOM 0 H GLN A 44 2.790 -7.666 13.055 1.00 0.00 H new ATOM 0 HA GLN A 44 4.947 -8.709 11.219 1.00 0.00 H new ATOM 0 HB2 GLN A 44 3.163 -7.080 10.163 1.00 0.00 H new ATOM 0 HB3 GLN A 44 3.780 -5.873 11.274 1.00 0.00 H new ATOM 0 HG2 GLN A 44 6.116 -6.291 10.346 1.00 0.00 H new ATOM 0 HG3 GLN A 44 5.412 -7.377 9.164 1.00 0.00 H new ATOM 0 HE21 GLN A 44 6.791 -4.856 8.517 1.00 0.00 H new ATOM 0 HE22 GLN A 44 5.593 -3.808 7.751 1.00 0.00 H new ATOM 682 N SER A 45 6.668 -7.545 12.621 1.00 0.00 N ATOM 683 CA SER A 45 7.632 -7.035 13.636 1.00 0.00 C ATOM 684 C SER A 45 7.870 -5.539 13.432 1.00 0.00 C ATOM 685 O SER A 45 8.019 -5.068 12.322 1.00 0.00 O ATOM 686 CB SER A 45 8.920 -7.821 13.387 1.00 0.00 C ATOM 687 OG SER A 45 9.768 -7.710 14.520 1.00 0.00 O ATOM 0 H SER A 45 7.085 -8.041 11.833 1.00 0.00 H new ATOM 0 HA SER A 45 7.266 -7.163 14.655 1.00 0.00 H new ATOM 0 HB2 SER A 45 8.688 -8.868 13.194 1.00 0.00 H new ATOM 0 HB3 SER A 45 9.427 -7.438 12.501 1.00 0.00 H new ATOM 0 HG SER A 45 10.593 -8.215 14.362 1.00 0.00 H new ATOM 693 N LEU A 46 7.915 -4.787 14.497 1.00 0.00 N ATOM 694 CA LEU A 46 8.153 -3.323 14.363 1.00 0.00 C ATOM 695 C LEU A 46 9.649 -3.061 14.181 1.00 0.00 C ATOM 696 O LEU A 46 10.055 -2.030 13.683 1.00 0.00 O ATOM 697 CB LEU A 46 7.656 -2.717 15.675 1.00 0.00 C ATOM 698 CG LEU A 46 7.557 -1.198 15.528 1.00 0.00 C ATOM 699 CD1 LEU A 46 6.618 -0.857 14.370 1.00 0.00 C ATOM 700 CD2 LEU A 46 7.009 -0.596 16.823 1.00 0.00 C ATOM 0 H LEU A 46 7.797 -5.123 15.453 1.00 0.00 H new ATOM 0 HA LEU A 46 7.641 -2.892 13.502 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.682 -3.132 15.934 1.00 0.00 H new ATOM 0 HB3 LEU A 46 8.337 -2.971 16.487 1.00 0.00 H new ATOM 0 HG LEU A 46 8.546 -0.787 15.326 1.00 0.00 H new ATOM 0 HD11 LEU A 46 6.548 0.226 14.265 1.00 0.00 H new ATOM 0 HD12 LEU A 46 7.008 -1.286 13.447 1.00 0.00 H new ATOM 0 HD13 LEU A 46 5.628 -1.267 14.571 1.00 0.00 H new ATOM 0 HD21 LEU A 46 6.938 0.487 16.719 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.020 -1.007 17.025 1.00 0.00 H new ATOM 0 HD23 LEU A 46 7.678 -0.838 17.649 1.00 0.00 H new ATOM 712 N THR A 47 10.469 -3.992 14.581 1.00 0.00 N ATOM 713 CA THR A 47 11.940 -3.806 14.435 1.00 0.00 C ATOM 714 C THR A 47 12.385 -4.192 13.022 1.00 0.00 C ATOM 715 O THR A 47 13.076 -3.447 12.355 1.00 0.00 O ATOM 716 CB THR A 47 12.565 -4.744 15.469 1.00 0.00 C ATOM 717 OG1 THR A 47 12.123 -4.375 16.768 1.00 0.00 O ATOM 718 CG2 THR A 47 14.088 -4.642 15.398 1.00 0.00 C ATOM 0 H THR A 47 10.184 -4.875 15.004 1.00 0.00 H new ATOM 0 HA THR A 47 12.241 -2.770 14.591 1.00 0.00 H new ATOM 0 HB THR A 47 12.263 -5.770 15.260 1.00 0.00 H new ATOM 0 HG1 THR A 47 12.521 -4.976 17.432 1.00 0.00 H new ATOM 0 HG21 THR A 47 14.532 -5.311 16.135 1.00 0.00 H new ATOM 0 HG22 THR A 47 14.426 -4.925 14.401 1.00 0.00 H new ATOM 0 HG23 THR A 47 14.394 -3.617 15.607 1.00 0.00 H new ATOM 726 N THR A 48 12.003 -5.353 12.559 1.00 0.00 N ATOM 727 CA THR A 48 12.417 -5.777 11.190 1.00 0.00 C ATOM 728 C THR A 48 11.276 -5.551 10.196 1.00 0.00 C ATOM 729 O THR A 48 11.390 -5.859 9.027 1.00 0.00 O ATOM 730 CB THR A 48 12.729 -7.270 11.319 1.00 0.00 C ATOM 731 OG1 THR A 48 11.515 -7.997 11.427 1.00 0.00 O ATOM 732 CG2 THR A 48 13.584 -7.508 12.564 1.00 0.00 C ATOM 0 H THR A 48 11.425 -6.023 13.067 1.00 0.00 H new ATOM 0 HA THR A 48 13.272 -5.210 10.822 1.00 0.00 H new ATOM 0 HB THR A 48 13.276 -7.606 10.438 1.00 0.00 H new ATOM 0 HG1 THR A 48 11.710 -8.923 11.682 1.00 0.00 H new ATOM 0 HG21 THR A 48 13.806 -8.571 12.655 1.00 0.00 H new ATOM 0 HG22 THR A 48 14.516 -6.949 12.478 1.00 0.00 H new ATOM 0 HG23 THR A 48 13.041 -7.174 13.448 1.00 0.00 H new ATOM 740 N GLY A 49 10.177 -5.017 10.651 1.00 0.00 N ATOM 741 CA GLY A 49 9.032 -4.773 9.732 1.00 0.00 C ATOM 742 C GLY A 49 8.673 -6.073 9.015 1.00 0.00 C ATOM 743 O GLY A 49 8.021 -6.068 7.989 1.00 0.00 O ATOM 0 H GLY A 49 10.023 -4.739 11.620 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.173 -4.405 10.293 1.00 0.00 H new ATOM 0 HA3 GLY A 49 9.292 -4.003 9.005 1.00 0.00 H new ATOM 747 N GLN A 50 9.094 -7.189 9.544 1.00 0.00 N ATOM 748 CA GLN A 50 8.777 -8.489 8.889 1.00 0.00 C ATOM 749 C GLN A 50 7.339 -8.906 9.206 1.00 0.00 C ATOM 750 O GLN A 50 6.782 -8.530 10.218 1.00 0.00 O ATOM 751 CB GLN A 50 9.768 -9.486 9.489 1.00 0.00 C ATOM 752 CG GLN A 50 11.020 -9.551 8.612 1.00 0.00 C ATOM 753 CD GLN A 50 12.069 -10.439 9.285 1.00 0.00 C ATOM 754 OE1 GLN A 50 11.882 -10.878 10.402 1.00 0.00 O ATOM 755 NE2 GLN A 50 13.173 -10.722 8.649 1.00 0.00 N ATOM 0 H GLN A 50 9.643 -7.257 10.401 1.00 0.00 H new ATOM 0 HA GLN A 50 8.859 -8.435 7.803 1.00 0.00 H new ATOM 0 HB2 GLN A 50 10.036 -9.184 10.502 1.00 0.00 H new ATOM 0 HB3 GLN A 50 9.310 -10.472 9.561 1.00 0.00 H new ATOM 0 HG2 GLN A 50 10.768 -9.949 7.629 1.00 0.00 H new ATOM 0 HG3 GLN A 50 11.421 -8.549 8.457 1.00 0.00 H new ATOM 0 HE21 GLN A 50 13.330 -10.353 7.711 1.00 0.00 H new ATOM 0 HE22 GLN A 50 13.879 -11.312 9.090 1.00 0.00 H new ATOM 764 N GLU A 51 6.735 -9.680 8.348 1.00 0.00 N ATOM 765 CA GLU A 51 5.334 -10.121 8.599 1.00 0.00 C ATOM 766 C GLU A 51 5.267 -11.648 8.668 1.00 0.00 C ATOM 767 O GLU A 51 5.951 -12.344 7.942 1.00 0.00 O ATOM 768 CB GLU A 51 4.534 -9.603 7.403 1.00 0.00 C ATOM 769 CG GLU A 51 3.042 -9.837 7.646 1.00 0.00 C ATOM 770 CD GLU A 51 2.245 -9.350 6.433 1.00 0.00 C ATOM 771 OE1 GLU A 51 2.867 -8.935 5.469 1.00 0.00 O ATOM 772 OE2 GLU A 51 1.028 -9.400 6.490 1.00 0.00 O ATOM 0 H GLU A 51 7.151 -10.027 7.483 1.00 0.00 H new ATOM 0 HA GLU A 51 4.944 -9.742 9.544 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.727 -8.540 7.256 1.00 0.00 H new ATOM 0 HB3 GLU A 51 4.849 -10.113 6.493 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.852 -10.897 7.818 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.721 -9.306 8.542 1.00 0.00 H new ATOM 779 N GLY A 52 4.448 -12.177 9.534 1.00 0.00 N ATOM 780 CA GLY A 52 4.337 -13.657 9.648 1.00 0.00 C ATOM 781 C GLY A 52 3.089 -14.012 10.455 1.00 0.00 C ATOM 782 O GLY A 52 2.597 -13.220 11.236 1.00 0.00 O ATOM 0 H GLY A 52 3.850 -11.647 10.168 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.282 -14.106 8.656 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.225 -14.063 10.133 1.00 0.00 H new ATOM 786 N PHE A 53 2.573 -15.196 10.279 1.00 0.00 N ATOM 787 CA PHE A 53 1.358 -15.598 11.042 1.00 0.00 C ATOM 788 C PHE A 53 1.716 -15.825 12.513 1.00 0.00 C ATOM 789 O PHE A 53 2.761 -16.357 12.830 1.00 0.00 O ATOM 790 CB PHE A 53 0.893 -16.900 10.392 1.00 0.00 C ATOM 791 CG PHE A 53 0.128 -16.585 9.129 1.00 0.00 C ATOM 792 CD1 PHE A 53 -1.163 -16.047 9.208 1.00 0.00 C ATOM 793 CD2 PHE A 53 0.709 -16.827 7.879 1.00 0.00 C ATOM 794 CE1 PHE A 53 -1.871 -15.752 8.037 1.00 0.00 C ATOM 795 CE2 PHE A 53 0.001 -16.533 6.709 1.00 0.00 C ATOM 796 CZ PHE A 53 -1.289 -15.994 6.787 1.00 0.00 C ATOM 0 H PHE A 53 2.939 -15.902 9.641 1.00 0.00 H new ATOM 0 HA PHE A 53 0.580 -14.835 11.018 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.751 -17.531 10.162 1.00 0.00 H new ATOM 0 HB3 PHE A 53 0.262 -17.459 11.083 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.612 -15.860 10.172 1.00 0.00 H new ATOM 0 HD2 PHE A 53 1.705 -17.241 7.818 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.866 -15.338 8.098 1.00 0.00 H new ATOM 0 HE2 PHE A 53 0.450 -16.722 5.745 1.00 0.00 H new ATOM 0 HZ PHE A 53 -1.835 -15.765 5.883 1.00 0.00 H new ATOM 806 N ILE A 54 0.860 -15.425 13.411 1.00 0.00 N ATOM 807 CA ILE A 54 1.157 -15.618 14.859 1.00 0.00 C ATOM 808 C ILE A 54 -0.116 -16.011 15.610 1.00 0.00 C ATOM 809 O ILE A 54 -1.111 -15.317 15.553 1.00 0.00 O ATOM 810 CB ILE A 54 1.668 -14.261 15.343 1.00 0.00 C ATOM 811 CG1 ILE A 54 0.517 -13.252 15.345 1.00 0.00 C ATOM 812 CG2 ILE A 54 2.774 -13.769 14.408 1.00 0.00 C ATOM 813 CD1 ILE A 54 -0.040 -13.116 16.764 1.00 0.00 C ATOM 0 H ILE A 54 -0.031 -14.973 13.206 1.00 0.00 H new ATOM 0 HA ILE A 54 1.885 -16.411 15.030 1.00 0.00 H new ATOM 0 HB ILE A 54 2.064 -14.363 16.353 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.867 -12.284 14.986 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.269 -13.579 14.664 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.138 -12.801 14.753 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.595 -14.486 14.406 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.378 -13.668 13.397 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.860 -12.398 16.766 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.406 -14.084 17.106 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.748 -12.769 17.432 1.00 0.00 H new ATOM 825 N PRO A 55 -0.039 -17.119 16.295 1.00 0.00 N ATOM 826 CA PRO A 55 -1.229 -17.576 17.057 1.00 0.00 C ATOM 827 C PRO A 55 -1.830 -16.409 17.843 1.00 0.00 C ATOM 828 O PRO A 55 -1.228 -15.363 17.979 1.00 0.00 O ATOM 829 CB PRO A 55 -0.682 -18.643 17.997 1.00 0.00 C ATOM 830 CG PRO A 55 0.763 -18.306 18.161 1.00 0.00 C ATOM 831 CD PRO A 55 1.204 -17.642 16.883 1.00 0.00 C ATOM 0 HA PRO A 55 -2.024 -17.959 16.417 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -1.202 -18.630 18.955 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -0.810 -19.641 17.579 1.00 0.00 H new ATOM 0 HG2 PRO A 55 0.911 -17.642 19.012 1.00 0.00 H new ATOM 0 HG3 PRO A 55 1.350 -19.204 18.352 1.00 0.00 H new ATOM 0 HD2 PRO A 55 1.919 -16.842 17.077 1.00 0.00 H new ATOM 0 HD3 PRO A 55 1.692 -18.351 16.215 1.00 0.00 H new ATOM 839 N PHE A 56 -3.015 -16.579 18.360 1.00 0.00 N ATOM 840 CA PHE A 56 -3.654 -15.477 19.134 1.00 0.00 C ATOM 841 C PHE A 56 -3.404 -15.659 20.635 1.00 0.00 C ATOM 842 O PHE A 56 -3.816 -14.852 21.443 1.00 0.00 O ATOM 843 CB PHE A 56 -5.148 -15.585 18.819 1.00 0.00 C ATOM 844 CG PHE A 56 -5.739 -16.763 19.559 1.00 0.00 C ATOM 845 CD1 PHE A 56 -5.657 -18.048 19.009 1.00 0.00 C ATOM 846 CD2 PHE A 56 -6.370 -16.570 20.793 1.00 0.00 C ATOM 847 CE1 PHE A 56 -6.205 -19.140 19.694 1.00 0.00 C ATOM 848 CE2 PHE A 56 -6.919 -17.660 21.478 1.00 0.00 C ATOM 849 CZ PHE A 56 -6.836 -18.945 20.929 1.00 0.00 C ATOM 0 H PHE A 56 -3.568 -17.432 18.280 1.00 0.00 H new ATOM 0 HA PHE A 56 -3.250 -14.501 18.867 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -5.658 -14.667 19.110 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -5.296 -15.706 17.746 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -5.171 -18.197 18.056 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -6.433 -15.579 21.217 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -6.141 -20.131 19.270 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -7.407 -17.510 22.430 1.00 0.00 H new ATOM 0 HZ PHE A 56 -7.259 -19.786 21.458 1.00 0.00 H new ATOM 859 N ASN A 57 -2.737 -16.714 21.015 1.00 0.00 N ATOM 860 CA ASN A 57 -2.471 -16.943 22.465 1.00 0.00 C ATOM 861 C ASN A 57 -1.053 -16.493 22.834 1.00 0.00 C ATOM 862 O ASN A 57 -0.771 -16.178 23.974 1.00 0.00 O ATOM 863 CB ASN A 57 -2.619 -18.452 22.658 1.00 0.00 C ATOM 864 CG ASN A 57 -4.079 -18.786 22.972 1.00 0.00 C ATOM 865 OD1 ASN A 57 -4.789 -17.983 23.544 1.00 0.00 O ATOM 866 ND2 ASN A 57 -4.560 -19.946 22.618 1.00 0.00 N ATOM 0 H ASN A 57 -2.365 -17.426 20.387 1.00 0.00 H new ATOM 0 HA ASN A 57 -3.153 -16.376 23.099 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -2.300 -18.977 21.758 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -1.975 -18.790 23.470 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -5.532 -20.179 22.821 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -3.964 -20.620 22.138 1.00 0.00 H new ATOM 873 N PHE A 58 -0.154 -16.464 21.886 1.00 0.00 N ATOM 874 CA PHE A 58 1.242 -16.040 22.199 1.00 0.00 C ATOM 875 C PHE A 58 1.335 -14.515 22.274 1.00 0.00 C ATOM 876 O PHE A 58 2.313 -13.965 22.740 1.00 0.00 O ATOM 877 CB PHE A 58 2.091 -16.569 21.041 1.00 0.00 C ATOM 878 CG PHE A 58 2.237 -18.068 21.163 1.00 0.00 C ATOM 879 CD1 PHE A 58 1.132 -18.901 20.945 1.00 0.00 C ATOM 880 CD2 PHE A 58 3.479 -18.625 21.492 1.00 0.00 C ATOM 881 CE1 PHE A 58 1.271 -20.290 21.059 1.00 0.00 C ATOM 882 CE2 PHE A 58 3.616 -20.013 21.605 1.00 0.00 C ATOM 883 CZ PHE A 58 2.512 -20.846 21.388 1.00 0.00 C ATOM 0 H PHE A 58 -0.325 -16.715 20.912 1.00 0.00 H new ATOM 0 HA PHE A 58 1.578 -16.425 23.162 1.00 0.00 H new ATOM 0 HB2 PHE A 58 1.624 -16.315 20.089 1.00 0.00 H new ATOM 0 HB3 PHE A 58 3.073 -16.096 21.051 1.00 0.00 H new ATOM 0 HD1 PHE A 58 0.174 -18.473 20.689 1.00 0.00 H new ATOM 0 HD2 PHE A 58 4.331 -17.983 21.659 1.00 0.00 H new ATOM 0 HE1 PHE A 58 0.419 -20.933 20.893 1.00 0.00 H new ATOM 0 HE2 PHE A 58 4.574 -20.442 21.860 1.00 0.00 H new ATOM 0 HZ PHE A 58 2.618 -21.917 21.475 1.00 0.00 H new ATOM 893 N VAL A 59 0.325 -13.824 21.820 1.00 0.00 N ATOM 894 CA VAL A 59 0.362 -12.334 21.870 1.00 0.00 C ATOM 895 C VAL A 59 -0.939 -11.793 22.469 1.00 0.00 C ATOM 896 O VAL A 59 -2.007 -12.324 22.238 1.00 0.00 O ATOM 897 CB VAL A 59 0.507 -11.892 20.413 1.00 0.00 C ATOM 898 CG1 VAL A 59 1.859 -12.359 19.870 1.00 0.00 C ATOM 899 CG2 VAL A 59 -0.618 -12.507 19.579 1.00 0.00 C ATOM 0 H VAL A 59 -0.522 -14.225 21.418 1.00 0.00 H new ATOM 0 HA VAL A 59 1.176 -11.961 22.491 1.00 0.00 H new ATOM 0 HB VAL A 59 0.449 -10.805 20.356 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.962 -12.044 18.832 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.661 -11.920 20.464 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.918 -13.446 19.927 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.515 -12.192 18.541 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.561 -13.594 19.636 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.581 -12.174 19.965 1.00 0.00 H new ATOM 909 N ALA A 60 -0.857 -10.741 23.236 1.00 0.00 N ATOM 910 CA ALA A 60 -2.090 -10.169 23.850 1.00 0.00 C ATOM 911 C ALA A 60 -2.160 -8.661 23.588 1.00 0.00 C ATOM 912 O ALA A 60 -1.151 -7.999 23.449 1.00 0.00 O ATOM 913 CB ALA A 60 -1.954 -10.448 25.347 1.00 0.00 C ATOM 0 H ALA A 60 0.009 -10.253 23.464 1.00 0.00 H new ATOM 0 HA ALA A 60 -2.999 -10.606 23.436 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.826 -10.056 25.871 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.885 -11.523 25.512 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.054 -9.964 25.727 1.00 0.00 H new ATOM 919 N LYS A 61 -3.343 -8.115 23.522 1.00 0.00 N ATOM 920 CA LYS A 61 -3.476 -6.651 23.270 1.00 0.00 C ATOM 921 C LYS A 61 -2.951 -5.856 24.470 1.00 0.00 C ATOM 922 O LYS A 61 -3.493 -5.923 25.555 1.00 0.00 O ATOM 923 CB LYS A 61 -4.974 -6.415 23.085 1.00 0.00 C ATOM 924 CG LYS A 61 -5.210 -4.972 22.636 1.00 0.00 C ATOM 925 CD LYS A 61 -6.714 -4.702 22.544 1.00 0.00 C ATOM 926 CE LYS A 61 -6.947 -3.290 22.006 1.00 0.00 C ATOM 927 NZ LYS A 61 -8.386 -3.011 22.276 1.00 0.00 N ATOM 0 H LYS A 61 -4.223 -8.618 23.632 1.00 0.00 H new ATOM 0 HA LYS A 61 -2.902 -6.329 22.401 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.374 -7.108 22.344 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.502 -6.608 24.019 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -4.749 -4.281 23.342 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.740 -4.800 21.668 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -7.186 -5.434 21.889 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -7.174 -4.809 23.526 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.303 -2.566 22.505 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -6.726 -3.232 20.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.625 -2.058 21.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -8.974 -3.713 21.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.565 -3.067 23.299 1.00 0.00 H new ATOM 941 N ALA A 62 -1.900 -5.106 24.283 1.00 0.00 N ATOM 942 CA ALA A 62 -1.343 -4.309 25.413 1.00 0.00 C ATOM 943 C ALA A 62 -1.163 -5.196 26.648 1.00 0.00 C ATOM 944 O ALA A 62 -0.852 -6.365 26.543 1.00 0.00 O ATOM 945 CB ALA A 62 -2.383 -3.221 25.681 1.00 0.00 C ATOM 0 H ALA A 62 -1.403 -5.010 23.397 1.00 0.00 H new ATOM 0 HA ALA A 62 -0.365 -3.889 25.179 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -2.045 -2.590 26.503 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -2.512 -2.613 24.786 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -3.334 -3.684 25.946 1.00 0.00 H new ATOM 951 N ASN A 63 -1.357 -4.649 27.816 1.00 0.00 N ATOM 952 CA ASN A 63 -1.196 -5.461 29.057 1.00 0.00 C ATOM 953 C ASN A 63 -2.547 -5.628 29.757 1.00 0.00 C ATOM 954 O ASN A 63 -3.062 -4.640 30.252 1.00 0.00 O ATOM 955 CB ASN A 63 -0.233 -4.660 29.933 1.00 0.00 C ATOM 956 CG ASN A 63 0.377 -5.579 30.993 1.00 0.00 C ATOM 957 OD1 ASN A 63 0.105 -6.763 31.016 1.00 0.00 O ATOM 958 ND2 ASN A 63 1.194 -5.081 31.880 1.00 0.00 N ATOM 959 OXT ASN A 63 -3.042 -6.744 29.788 1.00 0.00 O ATOM 0 H ASN A 63 -1.620 -3.675 27.966 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.820 -6.463 28.850 1.00 0.00 H new ATOM 0 HB2 ASN A 63 0.554 -4.222 29.320 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -0.761 -3.835 30.412 1.00 0.00 H new ATOM 0 HD21 ASN A 63 1.604 -5.686 32.592 1.00 0.00 H new ATOM 0 HD22 ASN A 63 1.423 -4.087 31.861 1.00 0.00 H new TER 966 ASN A 63