USER MOD reduce.3.24.130724 H: found=0, std=0, add=879, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 872 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 30 ASN : amide:sc= -9.27! C(o=-16!,f=-24!) USER MOD Set 1.2: A 32 HIS : no HE2:sc= -6.43! C(o=-16!,f=-19!) USER MOD Single : A 1 MET CE :methyl 138:sc= -0.139 (180deg=-1.05) USER MOD Single : A 1 MET N :NH3+ -164:sc= -0.238 (180deg=-0.759) USER MOD Single : A 4 GLN : amide:sc= -4.64! C(o=-4.6!,f=-7!) USER MOD Single : A 6 THR OG1 : rot -150:sc= -0.461 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -1.53 K(o=-1.5,f=-6.5!) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= -1.85 K(o=-1.9,f=-8.2!) USER MOD Single : A 21 LYS NZ :NH3+ 135:sc= -2.31! (180deg=-4.34!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.461 X(o=-0.46,f=-0.48) USER MOD Single : A 31 THR OG1 : rot 1:sc= 0.0732 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -7.49! C(o=-7.5!,f=-19!) USER MOD Single : A 45 THR OG1 : rot -170:sc= -0.66 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot -110:sc= -1.8! USER MOD Single : A 54 LYS NZ :NH3+ -149:sc= -0.0436 (180deg=-1.43!) USER MOD Single : A 55 ASN : amide:sc= -0.556 K(o=-0.56,f=-1.4) USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 66 SER OG : rot 40:sc= 0.0511 USER MOD Single : A 67 TYR OH : rot 30:sc= 0.567 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc=-0.000219 X(o=-0.00022,f=-0.23) USER MOD Single : A 82 GLN :FLIP amide:sc= -8.59! C(o=-9.5!,f=-8.6!) USER MOD Single : A 84 GLN : amide:sc= -0.573 K(o=-0.57,f=-1.2!) USER MOD Single : A 86 ASN :FLIP amide:sc= -0.149 F(o=-0.71,f=-0.15) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 SER OG : rot 73:sc= 1.14 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -148:sc= -0.16 (180deg=-0.864) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 104 HIS : no HD1:sc=-0.00329 X(o=-0.0033,f=-0.24) USER MOD Single : A 105 HIS : no HD1:sc= -0.296 K(o=-0.3,f=-1.1) USER MOD Single : A 106 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 107 HIS : no HD1:sc= -0.932 K(o=-0.93,f=-1.8) USER MOD Single : A 108 HIS : no HD1:sc= -0.209 X(o=-0.21,f=-0.71) USER MOD Single : A 109 HIS : no HD1:sc= -0.609 X(o=-0.61,f=-0.25) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.157 5.836 -11.413 1.00 0.00 N ATOM 2 CA MET A 1 -16.260 4.966 -12.223 1.00 0.00 C ATOM 3 C MET A 1 -14.837 5.097 -11.675 1.00 0.00 C ATOM 4 O MET A 1 -13.980 4.268 -11.915 1.00 0.00 O ATOM 5 CB MET A 1 -16.284 5.424 -13.688 1.00 0.00 C ATOM 6 CG MET A 1 -17.657 5.132 -14.300 1.00 0.00 C ATOM 7 SD MET A 1 -17.720 5.786 -15.989 1.00 0.00 S ATOM 8 CE MET A 1 -16.491 4.674 -16.722 1.00 0.00 C ATOM 0 H1 MET A 1 -18.147 5.565 -11.581 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.933 5.722 -10.404 1.00 0.00 H new ATOM 0 H3 MET A 1 -17.018 6.829 -11.688 1.00 0.00 H new ATOM 0 HA MET A 1 -16.594 3.930 -12.167 1.00 0.00 H new ATOM 0 HB2 MET A 1 -16.068 6.491 -13.749 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.507 4.909 -14.253 1.00 0.00 H new ATOM 0 HG2 MET A 1 -17.842 4.058 -14.308 1.00 0.00 H new ATOM 0 HG3 MET A 1 -18.441 5.586 -13.694 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.838 4.343 -17.701 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.543 5.201 -16.832 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.352 3.808 -16.075 1.00 0.00 H new ATOM 20 N GLU A 2 -14.587 6.150 -10.942 1.00 0.00 N ATOM 21 CA GLU A 2 -13.225 6.369 -10.376 1.00 0.00 C ATOM 22 C GLU A 2 -13.020 5.483 -9.136 1.00 0.00 C ATOM 23 O GLU A 2 -13.953 5.209 -8.405 1.00 0.00 O ATOM 24 CB GLU A 2 -13.081 7.837 -9.965 1.00 0.00 C ATOM 25 CG GLU A 2 -13.254 8.735 -11.190 1.00 0.00 C ATOM 26 CD GLU A 2 -12.011 8.644 -12.077 1.00 0.00 C ATOM 27 OE1 GLU A 2 -10.992 9.192 -11.694 1.00 0.00 O ATOM 28 OE2 GLU A 2 -12.100 8.028 -13.127 1.00 0.00 O ATOM 0 H GLU A 2 -15.271 6.870 -10.711 1.00 0.00 H new ATOM 0 HA GLU A 2 -12.481 6.113 -11.130 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -13.826 8.088 -9.210 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -12.102 8.004 -9.515 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -14.137 8.432 -11.753 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -13.414 9.767 -10.877 1.00 0.00 H new ATOM 35 N PRO A 3 -11.807 5.045 -8.890 1.00 0.00 N ATOM 36 CA PRO A 3 -11.483 4.185 -7.713 1.00 0.00 C ATOM 37 C PRO A 3 -11.575 4.953 -6.388 1.00 0.00 C ATOM 38 O PRO A 3 -11.347 6.146 -6.322 1.00 0.00 O ATOM 39 CB PRO A 3 -10.045 3.720 -7.994 1.00 0.00 C ATOM 40 CG PRO A 3 -9.460 4.802 -8.839 1.00 0.00 C ATOM 41 CD PRO A 3 -10.610 5.315 -9.703 1.00 0.00 C ATOM 0 HA PRO A 3 -12.185 3.359 -7.598 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -9.482 3.590 -7.070 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -10.032 2.761 -8.512 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -9.046 5.600 -8.223 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -8.646 4.421 -9.456 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -10.505 6.378 -9.919 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -10.652 4.797 -10.661 1.00 0.00 H new ATOM 49 N GLN A 4 -11.911 4.267 -5.335 1.00 0.00 N ATOM 50 CA GLN A 4 -12.029 4.939 -4.012 1.00 0.00 C ATOM 51 C GLN A 4 -10.631 5.196 -3.444 1.00 0.00 C ATOM 52 O GLN A 4 -10.058 4.377 -2.748 1.00 0.00 O ATOM 53 CB GLN A 4 -12.828 4.040 -3.068 1.00 0.00 C ATOM 54 CG GLN A 4 -14.144 3.632 -3.743 1.00 0.00 C ATOM 55 CD GLN A 4 -13.886 2.522 -4.767 1.00 0.00 C ATOM 56 OE1 GLN A 4 -13.821 2.777 -5.955 1.00 0.00 O ATOM 57 NE2 GLN A 4 -13.734 1.292 -4.357 1.00 0.00 N ATOM 0 H GLN A 4 -12.110 3.267 -5.332 1.00 0.00 H new ATOM 0 HA GLN A 4 -12.544 5.894 -4.121 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -12.247 3.153 -2.814 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -13.033 4.565 -2.135 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -14.856 3.287 -2.993 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -14.593 4.495 -4.235 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -13.788 1.076 -3.362 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -13.561 0.547 -5.032 1.00 0.00 H new ATOM 66 N LEU A 5 -10.085 6.342 -3.743 1.00 0.00 N ATOM 67 CA LEU A 5 -8.727 6.692 -3.241 1.00 0.00 C ATOM 68 C LEU A 5 -8.829 7.210 -1.810 1.00 0.00 C ATOM 69 O LEU A 5 -9.737 7.945 -1.467 1.00 0.00 O ATOM 70 CB LEU A 5 -8.127 7.781 -4.132 1.00 0.00 C ATOM 71 CG LEU A 5 -8.021 7.266 -5.572 1.00 0.00 C ATOM 72 CD1 LEU A 5 -7.507 8.388 -6.480 1.00 0.00 C ATOM 73 CD2 LEU A 5 -7.057 6.067 -5.633 1.00 0.00 C ATOM 0 H LEU A 5 -10.527 7.058 -4.320 1.00 0.00 H new ATOM 0 HA LEU A 5 -8.091 5.807 -3.261 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -8.749 8.675 -4.100 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -7.141 8.065 -3.763 1.00 0.00 H new ATOM 0 HG LEU A 5 -9.006 6.946 -5.911 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -7.432 8.022 -7.504 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -8.199 9.230 -6.446 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -6.524 8.712 -6.137 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -6.988 5.708 -6.660 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -6.070 6.376 -5.289 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -7.430 5.267 -4.993 1.00 0.00 H new ATOM 85 N THR A 6 -7.901 6.825 -0.974 1.00 0.00 N ATOM 86 CA THR A 6 -7.918 7.280 0.449 1.00 0.00 C ATOM 87 C THR A 6 -6.569 7.895 0.813 1.00 0.00 C ATOM 88 O THR A 6 -5.518 7.337 0.558 1.00 0.00 O ATOM 89 CB THR A 6 -8.210 6.094 1.363 1.00 0.00 C ATOM 90 OG1 THR A 6 -9.488 5.563 1.044 1.00 0.00 O ATOM 91 CG2 THR A 6 -8.198 6.565 2.814 1.00 0.00 C ATOM 0 H THR A 6 -7.125 6.209 -1.218 1.00 0.00 H new ATOM 0 HA THR A 6 -8.697 8.032 0.576 1.00 0.00 H new ATOM 0 HB THR A 6 -7.452 5.323 1.225 1.00 0.00 H new ATOM 0 HG1 THR A 6 -9.888 5.169 1.847 1.00 0.00 H new ATOM 0 HG21 THR A 6 -8.406 5.721 3.472 1.00 0.00 H new ATOM 0 HG22 THR A 6 -7.219 6.979 3.054 1.00 0.00 H new ATOM 0 HG23 THR A 6 -8.960 7.331 2.954 1.00 0.00 H new ATOM 99 N LYS A 7 -6.606 9.053 1.404 1.00 0.00 N ATOM 100 CA LYS A 7 -5.352 9.753 1.793 1.00 0.00 C ATOM 101 C LYS A 7 -4.842 9.199 3.124 1.00 0.00 C ATOM 102 O LYS A 7 -5.595 8.690 3.935 1.00 0.00 O ATOM 103 CB LYS A 7 -5.648 11.247 1.942 1.00 0.00 C ATOM 104 CG LYS A 7 -6.301 11.782 0.660 1.00 0.00 C ATOM 105 CD LYS A 7 -5.326 11.661 -0.515 1.00 0.00 C ATOM 106 CE LYS A 7 -5.800 12.543 -1.670 1.00 0.00 C ATOM 107 NZ LYS A 7 -4.813 12.466 -2.786 1.00 0.00 N ATOM 0 H LYS A 7 -7.464 9.552 1.638 1.00 0.00 H new ATOM 0 HA LYS A 7 -4.591 9.598 1.028 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -6.309 11.412 2.793 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.725 11.791 2.144 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -7.212 11.223 0.446 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.590 12.824 0.797 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.326 11.961 -0.203 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.261 10.623 -0.841 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -6.781 12.216 -2.014 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -5.907 13.575 -1.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -5.132 13.065 -3.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -3.885 12.798 -2.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -4.732 11.481 -3.111 1.00 0.00 H new ATOM 121 N ILE A 8 -3.564 9.303 3.348 1.00 0.00 N ATOM 122 CA ILE A 8 -2.974 8.792 4.617 1.00 0.00 C ATOM 123 C ILE A 8 -3.554 9.572 5.804 1.00 0.00 C ATOM 124 O ILE A 8 -3.906 9.010 6.826 1.00 0.00 O ATOM 125 CB ILE A 8 -1.454 8.974 4.566 1.00 0.00 C ATOM 126 CG1 ILE A 8 -0.867 8.044 3.500 1.00 0.00 C ATOM 127 CG2 ILE A 8 -0.843 8.635 5.929 1.00 0.00 C ATOM 128 CD1 ILE A 8 0.602 8.394 3.251 1.00 0.00 C ATOM 0 H ILE A 8 -2.896 9.723 2.702 1.00 0.00 H new ATOM 0 HA ILE A 8 -3.212 7.735 4.738 1.00 0.00 H new ATOM 0 HB ILE A 8 -1.224 10.010 4.318 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -0.952 7.007 3.824 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -1.433 8.136 2.573 1.00 0.00 H new ATOM 0 HG21 ILE A 8 0.238 8.766 5.886 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -1.259 9.297 6.689 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -1.073 7.600 6.184 1.00 0.00 H new ATOM 0 HD11 ILE A 8 1.011 7.728 2.492 1.00 0.00 H new ATOM 0 HD12 ILE A 8 0.677 9.426 2.907 1.00 0.00 H new ATOM 0 HD13 ILE A 8 1.166 8.278 4.177 1.00 0.00 H new ATOM 140 N VAL A 9 -3.651 10.864 5.669 1.00 0.00 N ATOM 141 CA VAL A 9 -4.208 11.704 6.773 1.00 0.00 C ATOM 142 C VAL A 9 -5.690 11.358 6.996 1.00 0.00 C ATOM 143 O VAL A 9 -6.238 11.564 8.063 1.00 0.00 O ATOM 144 CB VAL A 9 -4.067 13.181 6.393 1.00 0.00 C ATOM 145 CG1 VAL A 9 -4.933 13.493 5.170 1.00 0.00 C ATOM 146 CG2 VAL A 9 -4.505 14.063 7.565 1.00 0.00 C ATOM 0 H VAL A 9 -3.367 11.381 4.837 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.661 11.509 7.696 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.023 13.385 6.155 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.826 14.545 4.907 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.613 12.875 4.331 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -5.977 13.281 5.400 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.402 15.112 7.289 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.546 13.852 7.810 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -3.879 13.853 8.432 1.00 0.00 H new ATOM 156 N ASP A 10 -6.336 10.833 5.990 1.00 0.00 N ATOM 157 CA ASP A 10 -7.780 10.469 6.120 1.00 0.00 C ATOM 158 C ASP A 10 -7.911 9.128 6.860 1.00 0.00 C ATOM 159 O ASP A 10 -9.001 8.655 7.125 1.00 0.00 O ATOM 160 CB ASP A 10 -8.382 10.355 4.715 1.00 0.00 C ATOM 161 CG ASP A 10 -9.894 10.127 4.799 1.00 0.00 C ATOM 162 OD1 ASP A 10 -10.438 10.273 5.879 1.00 0.00 O ATOM 163 OD2 ASP A 10 -10.480 9.815 3.775 1.00 0.00 O ATOM 0 H ASP A 10 -5.924 10.639 5.077 1.00 0.00 H new ATOM 0 HA ASP A 10 -8.311 11.233 6.688 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -8.176 11.264 4.149 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -7.913 9.531 4.177 1.00 0.00 H new ATOM 168 N ILE A 11 -6.807 8.514 7.200 1.00 0.00 N ATOM 169 CA ILE A 11 -6.872 7.208 7.920 1.00 0.00 C ATOM 170 C ILE A 11 -7.178 7.444 9.401 1.00 0.00 C ATOM 171 O ILE A 11 -6.420 8.068 10.119 1.00 0.00 O ATOM 172 CB ILE A 11 -5.532 6.473 7.783 1.00 0.00 C ATOM 173 CG1 ILE A 11 -5.313 6.096 6.316 1.00 0.00 C ATOM 174 CG2 ILE A 11 -5.547 5.202 8.639 1.00 0.00 C ATOM 175 CD1 ILE A 11 -3.883 5.587 6.115 1.00 0.00 C ATOM 0 H ILE A 11 -5.866 8.860 7.011 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.664 6.600 7.483 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.726 7.123 8.122 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.027 5.328 6.019 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.493 6.962 5.679 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.593 4.684 8.538 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.706 5.469 9.684 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -6.352 4.548 8.305 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -3.735 5.321 5.068 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.176 6.368 6.394 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -3.718 4.709 6.739 1.00 0.00 H new ATOM 187 N VAL A 12 -8.292 6.934 9.855 1.00 0.00 N ATOM 188 CA VAL A 12 -8.687 7.093 11.286 1.00 0.00 C ATOM 189 C VAL A 12 -9.207 5.752 11.811 1.00 0.00 C ATOM 190 O VAL A 12 -9.527 5.613 12.974 1.00 0.00 O ATOM 191 CB VAL A 12 -9.790 8.155 11.403 1.00 0.00 C ATOM 192 CG1 VAL A 12 -9.169 9.547 11.292 1.00 0.00 C ATOM 193 CG2 VAL A 12 -10.821 7.967 10.283 1.00 0.00 C ATOM 0 H VAL A 12 -8.955 6.406 9.287 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.824 7.409 11.873 1.00 0.00 H new ATOM 0 HB VAL A 12 -10.286 8.049 12.368 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.951 10.302 11.375 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.443 9.687 12.093 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.669 9.647 10.329 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -11.599 8.725 10.374 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -10.329 8.066 9.315 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -11.268 6.976 10.363 1.00 0.00 H new ATOM 203 N GLU A 13 -9.299 4.761 10.957 1.00 0.00 N ATOM 204 CA GLU A 13 -9.806 3.426 11.406 1.00 0.00 C ATOM 205 C GLU A 13 -8.994 2.308 10.757 1.00 0.00 C ATOM 206 O GLU A 13 -8.675 2.349 9.583 1.00 0.00 O ATOM 207 CB GLU A 13 -11.276 3.277 11.011 1.00 0.00 C ATOM 208 CG GLU A 13 -12.138 4.245 11.830 1.00 0.00 C ATOM 209 CD GLU A 13 -12.075 3.870 13.313 1.00 0.00 C ATOM 210 OE1 GLU A 13 -11.746 2.731 13.603 1.00 0.00 O ATOM 211 OE2 GLU A 13 -12.354 4.728 14.134 1.00 0.00 O ATOM 0 H GLU A 13 -9.046 4.819 9.971 1.00 0.00 H new ATOM 0 HA GLU A 13 -9.706 3.358 12.489 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -11.398 3.479 9.947 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -11.605 2.252 11.180 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -11.787 5.267 11.689 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -13.170 4.212 11.481 1.00 0.00 H new ATOM 218 N ASN A 14 -8.667 1.307 11.528 1.00 0.00 N ATOM 219 CA ASN A 14 -7.878 0.159 10.997 1.00 0.00 C ATOM 220 C ASN A 14 -8.819 -0.941 10.494 1.00 0.00 C ATOM 221 O ASN A 14 -9.979 -1.004 10.858 1.00 0.00 O ATOM 222 CB ASN A 14 -6.992 -0.402 12.113 1.00 0.00 C ATOM 223 CG ASN A 14 -7.858 -0.843 13.301 1.00 0.00 C ATOM 224 OD1 ASN A 14 -8.805 -0.172 13.664 1.00 0.00 O ATOM 225 ND2 ASN A 14 -7.566 -1.953 13.927 1.00 0.00 N ATOM 0 H ASN A 14 -8.916 1.235 12.515 1.00 0.00 H new ATOM 0 HA ASN A 14 -7.259 0.503 10.168 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -6.415 -1.248 11.740 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -6.277 0.355 12.435 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -8.132 -2.256 14.719 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -6.772 -2.516 13.623 1.00 0.00 H new ATOM 232 N GLY A 15 -8.316 -1.805 9.654 1.00 0.00 N ATOM 233 CA GLY A 15 -9.153 -2.914 9.107 1.00 0.00 C ATOM 234 C GLY A 15 -10.049 -2.376 7.988 1.00 0.00 C ATOM 235 O GLY A 15 -10.858 -3.088 7.422 1.00 0.00 O ATOM 0 H GLY A 15 -7.352 -1.790 9.320 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -8.515 -3.711 8.725 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -9.764 -3.347 9.899 1.00 0.00 H new ATOM 239 N GLN A 16 -9.914 -1.116 7.677 1.00 0.00 N ATOM 240 CA GLN A 16 -10.761 -0.508 6.609 1.00 0.00 C ATOM 241 C GLN A 16 -10.224 -0.864 5.220 1.00 0.00 C ATOM 242 O GLN A 16 -9.032 -0.837 4.966 1.00 0.00 O ATOM 243 CB GLN A 16 -10.772 1.012 6.780 1.00 0.00 C ATOM 244 CG GLN A 16 -11.637 1.645 5.686 1.00 0.00 C ATOM 245 CD GLN A 16 -11.821 3.140 5.968 1.00 0.00 C ATOM 246 OE1 GLN A 16 -12.641 3.519 6.783 1.00 0.00 O ATOM 247 NE2 GLN A 16 -11.083 4.008 5.331 1.00 0.00 N ATOM 0 H GLN A 16 -9.251 -0.478 8.118 1.00 0.00 H new ATOM 0 HA GLN A 16 -11.774 -0.901 6.698 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -11.162 1.275 7.763 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -9.756 1.402 6.725 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -11.168 1.505 4.712 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -12.608 1.151 5.646 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -10.396 3.689 4.648 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -11.194 5.005 5.516 1.00 0.00 H new ATOM 256 N TRP A 17 -11.113 -1.188 4.318 1.00 0.00 N ATOM 257 CA TRP A 17 -10.699 -1.544 2.931 1.00 0.00 C ATOM 258 C TRP A 17 -10.749 -0.300 2.043 1.00 0.00 C ATOM 259 O TRP A 17 -11.718 0.435 2.041 1.00 0.00 O ATOM 260 CB TRP A 17 -11.663 -2.591 2.371 1.00 0.00 C ATOM 261 CG TRP A 17 -11.477 -3.888 3.089 1.00 0.00 C ATOM 262 CD1 TRP A 17 -11.964 -4.173 4.320 1.00 0.00 C ATOM 263 CD2 TRP A 17 -10.773 -5.081 2.641 1.00 0.00 C ATOM 264 NE1 TRP A 17 -11.599 -5.466 4.654 1.00 0.00 N ATOM 265 CE2 TRP A 17 -10.865 -6.066 3.652 1.00 0.00 C ATOM 266 CE3 TRP A 17 -10.068 -5.400 1.465 1.00 0.00 C ATOM 267 CZ2 TRP A 17 -10.280 -7.324 3.501 1.00 0.00 C ATOM 268 CZ3 TRP A 17 -9.478 -6.665 1.311 1.00 0.00 C ATOM 269 CH2 TRP A 17 -9.584 -7.625 2.327 1.00 0.00 C ATOM 0 H TRP A 17 -12.118 -1.221 4.486 1.00 0.00 H new ATOM 0 HA TRP A 17 -9.684 -1.941 2.949 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -12.692 -2.248 2.482 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -11.486 -2.727 1.304 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -12.542 -3.502 4.939 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -11.843 -5.920 5.534 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -9.980 -4.667 0.676 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -10.365 -8.060 4.286 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -8.940 -6.900 0.405 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -9.128 -8.596 2.203 1.00 0.00 H new ATOM 280 N ALA A 18 -9.713 -0.067 1.286 1.00 0.00 N ATOM 281 CA ALA A 18 -9.702 1.130 0.393 1.00 0.00 C ATOM 282 C ALA A 18 -8.455 1.113 -0.493 1.00 0.00 C ATOM 283 O ALA A 18 -7.609 0.242 -0.383 1.00 0.00 O ATOM 284 CB ALA A 18 -9.705 2.410 1.230 1.00 0.00 C ATOM 0 H ALA A 18 -8.876 -0.649 1.245 1.00 0.00 H new ATOM 0 HA ALA A 18 -10.594 1.103 -0.233 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -9.697 3.277 0.569 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -10.600 2.436 1.852 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -8.820 2.431 1.866 1.00 0.00 H new ATOM 290 N ASN A 19 -8.348 2.074 -1.375 1.00 0.00 N ATOM 291 CA ASN A 19 -7.172 2.141 -2.295 1.00 0.00 C ATOM 292 C ASN A 19 -6.210 3.239 -1.839 1.00 0.00 C ATOM 293 O ASN A 19 -6.614 4.290 -1.377 1.00 0.00 O ATOM 294 CB ASN A 19 -7.659 2.456 -3.708 1.00 0.00 C ATOM 295 CG ASN A 19 -8.658 1.386 -4.148 1.00 0.00 C ATOM 296 OD1 ASN A 19 -8.890 0.425 -3.441 1.00 0.00 O ATOM 297 ND2 ASN A 19 -9.262 1.508 -5.298 1.00 0.00 N ATOM 0 H ASN A 19 -9.031 2.822 -1.498 1.00 0.00 H new ATOM 0 HA ASN A 19 -6.653 1.183 -2.283 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -8.128 3.440 -3.733 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -6.815 2.488 -4.397 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -9.928 0.798 -5.602 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -9.069 2.314 -5.893 1.00 0.00 H new ATOM 304 N LEU A 20 -4.935 2.988 -1.971 1.00 0.00 N ATOM 305 CA LEU A 20 -3.907 3.989 -1.558 1.00 0.00 C ATOM 306 C LEU A 20 -2.851 4.119 -2.657 1.00 0.00 C ATOM 307 O LEU A 20 -2.420 3.141 -3.239 1.00 0.00 O ATOM 308 CB LEU A 20 -3.231 3.519 -0.266 1.00 0.00 C ATOM 309 CG LEU A 20 -2.193 4.555 0.200 1.00 0.00 C ATOM 310 CD1 LEU A 20 -2.889 5.877 0.566 1.00 0.00 C ATOM 311 CD2 LEU A 20 -1.449 4.008 1.423 1.00 0.00 C ATOM 0 H LEU A 20 -4.557 2.121 -2.352 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.386 4.954 -1.394 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.980 3.370 0.511 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.746 2.557 -0.430 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.486 4.743 -0.608 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.144 6.602 0.894 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.414 6.266 -0.307 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.603 5.702 1.370 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.712 4.738 1.757 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.161 3.817 2.226 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.944 3.079 1.157 1.00 0.00 H new ATOM 323 N LYS A 21 -2.426 5.326 -2.929 1.00 0.00 N ATOM 324 CA LYS A 21 -1.381 5.560 -3.974 1.00 0.00 C ATOM 325 C LYS A 21 -0.164 6.218 -3.328 1.00 0.00 C ATOM 326 O LYS A 21 -0.286 7.139 -2.540 1.00 0.00 O ATOM 327 CB LYS A 21 -1.936 6.474 -5.063 1.00 0.00 C ATOM 328 CG LYS A 21 -0.824 6.800 -6.064 1.00 0.00 C ATOM 329 CD LYS A 21 -1.420 7.470 -7.303 1.00 0.00 C ATOM 330 CE LYS A 21 -2.139 8.762 -6.905 1.00 0.00 C ATOM 331 NZ LYS A 21 -1.317 9.504 -5.909 1.00 0.00 N ATOM 0 H LYS A 21 -2.762 6.171 -2.466 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.092 4.608 -4.419 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.769 5.989 -5.572 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.324 7.392 -4.621 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.088 7.458 -5.602 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.300 5.888 -6.349 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -0.631 7.690 -8.023 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.118 6.792 -7.793 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.309 9.382 -7.785 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.118 8.531 -6.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -1.287 10.512 -6.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.739 9.399 -4.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.351 9.120 -5.901 1.00 0.00 H new ATOM 345 N ALA A 22 1.007 5.751 -3.652 1.00 0.00 N ATOM 346 CA ALA A 22 2.233 6.352 -3.049 1.00 0.00 C ATOM 347 C ALA A 22 3.459 6.000 -3.888 1.00 0.00 C ATOM 348 O ALA A 22 3.393 5.203 -4.807 1.00 0.00 O ATOM 349 CB ALA A 22 2.423 5.821 -1.631 1.00 0.00 C ATOM 0 H ALA A 22 1.171 4.984 -4.304 1.00 0.00 H new ATOM 0 HA ALA A 22 2.116 7.435 -3.022 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.319 6.262 -1.194 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.556 6.084 -1.025 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.530 4.737 -1.660 1.00 0.00 H new ATOM 355 N LYS A 23 4.581 6.599 -3.570 1.00 0.00 N ATOM 356 CA LYS A 23 5.842 6.333 -4.330 1.00 0.00 C ATOM 357 C LYS A 23 6.865 5.647 -3.429 1.00 0.00 C ATOM 358 O LYS A 23 6.979 5.937 -2.254 1.00 0.00 O ATOM 359 CB LYS A 23 6.412 7.656 -4.838 1.00 0.00 C ATOM 360 CG LYS A 23 7.650 7.383 -5.693 1.00 0.00 C ATOM 361 CD LYS A 23 8.177 8.696 -6.273 1.00 0.00 C ATOM 362 CE LYS A 23 9.407 8.411 -7.138 1.00 0.00 C ATOM 363 NZ LYS A 23 9.919 9.689 -7.709 1.00 0.00 N ATOM 0 H LYS A 23 4.677 7.269 -2.807 1.00 0.00 H new ATOM 0 HA LYS A 23 5.621 5.679 -5.173 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.662 8.186 -5.424 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.672 8.299 -3.997 1.00 0.00 H new ATOM 0 HG2 LYS A 23 8.422 6.905 -5.090 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.402 6.692 -6.499 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.403 9.180 -6.869 1.00 0.00 H new ATOM 0 HD3 LYS A 23 8.436 9.384 -5.468 1.00 0.00 H new ATOM 0 HE2 LYS A 23 10.182 7.931 -6.540 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.149 7.719 -7.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 10.755 9.496 -8.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 9.179 10.129 -8.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 10.181 10.334 -6.936 1.00 0.00 H new ATOM 377 N VAL A 24 7.607 4.730 -3.987 1.00 0.00 N ATOM 378 CA VAL A 24 8.629 3.995 -3.192 1.00 0.00 C ATOM 379 C VAL A 24 9.929 4.799 -3.142 1.00 0.00 C ATOM 380 O VAL A 24 10.565 5.045 -4.151 1.00 0.00 O ATOM 381 CB VAL A 24 8.882 2.631 -3.843 1.00 0.00 C ATOM 382 CG1 VAL A 24 9.773 1.780 -2.936 1.00 0.00 C ATOM 383 CG2 VAL A 24 7.545 1.910 -4.045 1.00 0.00 C ATOM 0 H VAL A 24 7.548 4.457 -4.968 1.00 0.00 H new ATOM 0 HA VAL A 24 8.268 3.853 -2.174 1.00 0.00 H new ATOM 0 HB VAL A 24 9.376 2.779 -4.803 1.00 0.00 H new ATOM 0 HG11 VAL A 24 9.949 0.812 -3.404 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.725 2.287 -2.782 1.00 0.00 H new ATOM 0 HG13 VAL A 24 9.280 1.634 -1.975 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.721 0.939 -4.508 1.00 0.00 H new ATOM 0 HG22 VAL A 24 7.058 1.769 -3.080 1.00 0.00 H new ATOM 0 HG23 VAL A 24 6.903 2.509 -4.691 1.00 0.00 H new ATOM 393 N ILE A 25 10.326 5.194 -1.961 1.00 0.00 N ATOM 394 CA ILE A 25 11.590 5.972 -1.793 1.00 0.00 C ATOM 395 C ILE A 25 12.639 5.071 -1.143 1.00 0.00 C ATOM 396 O ILE A 25 13.827 5.212 -1.366 1.00 0.00 O ATOM 397 CB ILE A 25 11.324 7.182 -0.896 1.00 0.00 C ATOM 398 CG1 ILE A 25 10.637 6.726 0.397 1.00 0.00 C ATOM 399 CG2 ILE A 25 10.424 8.173 -1.634 1.00 0.00 C ATOM 400 CD1 ILE A 25 10.545 7.904 1.365 1.00 0.00 C ATOM 0 H ILE A 25 9.822 5.008 -1.094 1.00 0.00 H new ATOM 0 HA ILE A 25 11.950 6.316 -2.763 1.00 0.00 H new ATOM 0 HB ILE A 25 12.270 7.664 -0.648 1.00 0.00 H new ATOM 0 HG12 ILE A 25 9.640 6.343 0.177 1.00 0.00 H new ATOM 0 HG13 ILE A 25 11.199 5.910 0.852 1.00 0.00 H new ATOM 0 HG21 ILE A 25 10.233 9.036 -0.996 1.00 0.00 H new ATOM 0 HG22 ILE A 25 10.917 8.500 -2.549 1.00 0.00 H new ATOM 0 HG23 ILE A 25 9.479 7.690 -1.883 1.00 0.00 H new ATOM 0 HD11 ILE A 25 10.057 7.582 2.285 1.00 0.00 H new ATOM 0 HD12 ILE A 25 11.547 8.266 1.594 1.00 0.00 H new ATOM 0 HD13 ILE A 25 9.965 8.706 0.908 1.00 0.00 H new ATOM 412 N GLN A 26 12.201 4.145 -0.337 1.00 0.00 N ATOM 413 CA GLN A 26 13.159 3.227 0.335 1.00 0.00 C ATOM 414 C GLN A 26 12.415 2.014 0.891 1.00 0.00 C ATOM 415 O GLN A 26 11.380 2.133 1.531 1.00 0.00 O ATOM 416 CB GLN A 26 13.867 3.962 1.472 1.00 0.00 C ATOM 417 CG GLN A 26 14.858 3.013 2.148 1.00 0.00 C ATOM 418 CD GLN A 26 15.734 3.800 3.123 1.00 0.00 C ATOM 419 OE1 GLN A 26 16.936 3.610 3.166 1.00 0.00 O ATOM 420 NE2 GLN A 26 15.185 4.686 3.906 1.00 0.00 N ATOM 0 H GLN A 26 11.218 3.985 -0.115 1.00 0.00 H new ATOM 0 HA GLN A 26 13.898 2.890 -0.392 1.00 0.00 H new ATOM 0 HB2 GLN A 26 14.390 4.837 1.085 1.00 0.00 H new ATOM 0 HB3 GLN A 26 13.138 4.322 2.198 1.00 0.00 H new ATOM 0 HG2 GLN A 26 14.321 2.227 2.678 1.00 0.00 H new ATOM 0 HG3 GLN A 26 15.479 2.524 1.398 1.00 0.00 H new ATOM 0 HE21 GLN A 26 14.178 4.845 3.870 1.00 0.00 H new ATOM 0 HE22 GLN A 26 15.762 5.221 4.555 1.00 0.00 H new ATOM 429 N LEU A 27 12.944 0.846 0.651 1.00 0.00 N ATOM 430 CA LEU A 27 12.297 -0.401 1.151 1.00 0.00 C ATOM 431 C LEU A 27 13.368 -1.402 1.574 1.00 0.00 C ATOM 432 O LEU A 27 14.366 -1.574 0.901 1.00 0.00 O ATOM 433 CB LEU A 27 11.406 -1.011 0.057 1.00 0.00 C ATOM 434 CG LEU A 27 12.254 -1.567 -1.102 1.00 0.00 C ATOM 435 CD1 LEU A 27 11.318 -2.103 -2.189 1.00 0.00 C ATOM 436 CD2 LEU A 27 13.141 -0.460 -1.695 1.00 0.00 C ATOM 0 H LEU A 27 13.805 0.700 0.125 1.00 0.00 H new ATOM 0 HA LEU A 27 11.675 -0.159 2.012 1.00 0.00 H new ATOM 0 HB2 LEU A 27 10.798 -1.809 0.482 1.00 0.00 H new ATOM 0 HB3 LEU A 27 10.719 -0.254 -0.321 1.00 0.00 H new ATOM 0 HG LEU A 27 12.893 -2.366 -0.727 1.00 0.00 H new ATOM 0 HD11 LEU A 27 11.909 -2.499 -3.015 1.00 0.00 H new ATOM 0 HD12 LEU A 27 10.696 -2.896 -1.775 1.00 0.00 H new ATOM 0 HD13 LEU A 27 10.682 -1.296 -2.552 1.00 0.00 H new ATOM 0 HD21 LEU A 27 13.734 -0.868 -2.513 1.00 0.00 H new ATOM 0 HD22 LEU A 27 12.513 0.348 -2.070 1.00 0.00 H new ATOM 0 HD23 LEU A 27 13.806 -0.073 -0.922 1.00 0.00 H new ATOM 448 N TRP A 28 13.164 -2.063 2.686 1.00 0.00 N ATOM 449 CA TRP A 28 14.162 -3.065 3.172 1.00 0.00 C ATOM 450 C TRP A 28 13.528 -4.457 3.185 1.00 0.00 C ATOM 451 O TRP A 28 12.429 -4.652 3.670 1.00 0.00 O ATOM 452 CB TRP A 28 14.603 -2.703 4.590 1.00 0.00 C ATOM 453 CG TRP A 28 14.922 -1.245 4.661 1.00 0.00 C ATOM 454 CD1 TRP A 28 15.845 -0.610 3.902 1.00 0.00 C ATOM 455 CD2 TRP A 28 14.341 -0.231 5.531 1.00 0.00 C ATOM 456 NE1 TRP A 28 15.870 0.728 4.253 1.00 0.00 N ATOM 457 CE2 TRP A 28 14.960 1.011 5.253 1.00 0.00 C ATOM 458 CE3 TRP A 28 13.346 -0.269 6.524 1.00 0.00 C ATOM 459 CZ2 TRP A 28 14.605 2.173 5.939 1.00 0.00 C ATOM 460 CZ3 TRP A 28 12.986 0.900 7.215 1.00 0.00 C ATOM 461 CH2 TRP A 28 13.615 2.118 6.924 1.00 0.00 C ATOM 0 H TRP A 28 12.344 -1.951 3.282 1.00 0.00 H new ATOM 0 HA TRP A 28 15.025 -3.062 2.507 1.00 0.00 H new ATOM 0 HB2 TRP A 28 13.813 -2.947 5.300 1.00 0.00 H new ATOM 0 HB3 TRP A 28 15.477 -3.291 4.871 1.00 0.00 H new ATOM 0 HD1 TRP A 28 16.462 -1.072 3.145 1.00 0.00 H new ATOM 0 HE1 TRP A 28 16.485 1.421 3.826 1.00 0.00 H new ATOM 0 HE3 TRP A 28 12.856 -1.203 6.757 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 15.092 3.109 5.710 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 12.220 0.860 7.975 1.00 0.00 H new ATOM 0 HH2 TRP A 28 13.335 3.013 7.460 1.00 0.00 H new ATOM 472 N GLU A 29 14.228 -5.421 2.662 1.00 0.00 N ATOM 473 CA GLU A 29 13.699 -6.812 2.635 1.00 0.00 C ATOM 474 C GLU A 29 13.591 -7.345 4.062 1.00 0.00 C ATOM 475 O GLU A 29 14.456 -7.119 4.888 1.00 0.00 O ATOM 476 CB GLU A 29 14.656 -7.695 1.826 1.00 0.00 C ATOM 477 CG GLU A 29 14.628 -7.278 0.352 1.00 0.00 C ATOM 478 CD GLU A 29 13.246 -7.563 -0.240 1.00 0.00 C ATOM 479 OE1 GLU A 29 12.539 -8.382 0.325 1.00 0.00 O ATOM 480 OE2 GLU A 29 12.917 -6.956 -1.246 1.00 0.00 O ATOM 0 H GLU A 29 15.153 -5.305 2.248 1.00 0.00 H new ATOM 0 HA GLU A 29 12.712 -6.822 2.173 1.00 0.00 H new ATOM 0 HB2 GLU A 29 15.669 -7.605 2.219 1.00 0.00 H new ATOM 0 HB3 GLU A 29 14.368 -8.742 1.923 1.00 0.00 H new ATOM 0 HG2 GLU A 29 14.862 -6.217 0.260 1.00 0.00 H new ATOM 0 HG3 GLU A 29 15.391 -7.822 -0.204 1.00 0.00 H new ATOM 487 N ASN A 30 12.539 -8.061 4.355 1.00 0.00 N ATOM 488 CA ASN A 30 12.366 -8.623 5.724 1.00 0.00 C ATOM 489 C ASN A 30 12.716 -10.112 5.692 1.00 0.00 C ATOM 490 O ASN A 30 13.150 -10.688 6.674 1.00 0.00 O ATOM 491 CB ASN A 30 10.906 -8.456 6.144 1.00 0.00 C ATOM 492 CG ASN A 30 10.768 -8.764 7.631 1.00 0.00 C ATOM 493 OD1 ASN A 30 11.744 -9.042 8.297 1.00 0.00 O ATOM 494 ND2 ASN A 30 9.591 -8.722 8.185 1.00 0.00 N ATOM 0 H ASN A 30 11.788 -8.282 3.701 1.00 0.00 H new ATOM 0 HA ASN A 30 13.015 -8.106 6.431 1.00 0.00 H new ATOM 0 HB2 ASN A 30 10.571 -7.439 5.940 1.00 0.00 H new ATOM 0 HB3 ASN A 30 10.270 -9.124 5.563 1.00 0.00 H new ATOM 0 HD21 ASN A 30 9.488 -8.923 9.180 1.00 0.00 H new ATOM 0 HD22 ASN A 30 8.772 -8.488 7.624 1.00 0.00 H new ATOM 501 N THR A 31 12.525 -10.736 4.559 1.00 0.00 N ATOM 502 CA THR A 31 12.833 -12.190 4.434 1.00 0.00 C ATOM 503 C THR A 31 12.116 -12.949 5.558 1.00 0.00 C ATOM 504 O THR A 31 12.380 -14.110 5.811 1.00 0.00 O ATOM 505 CB THR A 31 14.354 -12.407 4.520 1.00 0.00 C ATOM 506 OG1 THR A 31 14.817 -12.082 5.823 1.00 0.00 O ATOM 507 CG2 THR A 31 15.052 -11.512 3.492 1.00 0.00 C ATOM 0 H THR A 31 12.167 -10.298 3.711 1.00 0.00 H new ATOM 0 HA THR A 31 12.486 -12.564 3.471 1.00 0.00 H new ATOM 0 HB THR A 31 14.580 -13.453 4.312 1.00 0.00 H new ATOM 0 HG1 THR A 31 14.060 -11.803 6.379 1.00 0.00 H new ATOM 0 HG21 THR A 31 16.130 -11.663 3.550 1.00 0.00 H new ATOM 0 HG22 THR A 31 14.703 -11.767 2.491 1.00 0.00 H new ATOM 0 HG23 THR A 31 14.820 -10.468 3.702 1.00 0.00 H new ATOM 515 N HIS A 32 11.204 -12.293 6.234 1.00 0.00 N ATOM 516 CA HIS A 32 10.464 -12.955 7.346 1.00 0.00 C ATOM 517 C HIS A 32 9.370 -13.872 6.783 1.00 0.00 C ATOM 518 O HIS A 32 8.763 -13.598 5.763 1.00 0.00 O ATOM 519 CB HIS A 32 9.836 -11.874 8.236 1.00 0.00 C ATOM 520 CG HIS A 32 10.870 -11.335 9.189 1.00 0.00 C ATOM 521 ND1 HIS A 32 12.231 -11.436 8.939 1.00 0.00 N ATOM 522 CD2 HIS A 32 10.757 -10.696 10.397 1.00 0.00 C ATOM 523 CE1 HIS A 32 12.876 -10.872 9.977 1.00 0.00 C ATOM 524 NE2 HIS A 32 12.025 -10.404 10.894 1.00 0.00 N ATOM 0 H HIS A 32 10.941 -11.323 6.060 1.00 0.00 H new ATOM 0 HA HIS A 32 11.153 -13.562 7.933 1.00 0.00 H new ATOM 0 HB2 HIS A 32 9.440 -11.067 7.620 1.00 0.00 H new ATOM 0 HB3 HIS A 32 8.997 -12.291 8.793 1.00 0.00 H new ATOM 0 HD1 HIS A 32 12.664 -11.860 8.118 1.00 0.00 H new ATOM 0 HD2 HIS A 32 9.826 -10.456 10.889 1.00 0.00 H new ATOM 0 HE1 HIS A 32 13.951 -10.806 10.059 1.00 0.00 H new ATOM 532 N GLU A 33 9.121 -14.959 7.463 1.00 0.00 N ATOM 533 CA GLU A 33 8.076 -15.924 7.009 1.00 0.00 C ATOM 534 C GLU A 33 6.710 -15.229 6.930 1.00 0.00 C ATOM 535 O GLU A 33 6.000 -15.334 5.946 1.00 0.00 O ATOM 536 CB GLU A 33 7.997 -17.077 8.019 1.00 0.00 C ATOM 537 CG GLU A 33 7.004 -18.131 7.522 1.00 0.00 C ATOM 538 CD GLU A 33 6.958 -19.311 8.496 1.00 0.00 C ATOM 539 OE1 GLU A 33 6.322 -19.180 9.528 1.00 0.00 O ATOM 540 OE2 GLU A 33 7.552 -20.331 8.186 1.00 0.00 O ATOM 0 H GLU A 33 9.602 -15.223 8.323 1.00 0.00 H new ATOM 0 HA GLU A 33 8.338 -16.302 6.021 1.00 0.00 H new ATOM 0 HB2 GLU A 33 8.982 -17.525 8.152 1.00 0.00 H new ATOM 0 HB3 GLU A 33 7.685 -16.700 8.993 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.012 -17.690 7.425 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.296 -18.479 6.531 1.00 0.00 H new ATOM 547 N SER A 34 6.335 -14.530 7.965 1.00 0.00 N ATOM 548 CA SER A 34 5.015 -13.832 7.966 1.00 0.00 C ATOM 549 C SER A 34 5.053 -12.627 7.022 1.00 0.00 C ATOM 550 O SER A 34 4.067 -12.290 6.393 1.00 0.00 O ATOM 551 CB SER A 34 4.701 -13.355 9.381 1.00 0.00 C ATOM 552 OG SER A 34 4.389 -14.476 10.197 1.00 0.00 O ATOM 0 H SER A 34 6.887 -14.411 8.814 1.00 0.00 H new ATOM 0 HA SER A 34 4.245 -14.524 7.626 1.00 0.00 H new ATOM 0 HB2 SER A 34 5.555 -12.817 9.793 1.00 0.00 H new ATOM 0 HB3 SER A 34 3.863 -12.658 9.365 1.00 0.00 H new ATOM 0 HG SER A 34 4.189 -14.173 11.107 1.00 0.00 H new ATOM 558 N ILE A 35 6.180 -11.959 6.933 1.00 0.00 N ATOM 559 CA ILE A 35 6.284 -10.756 6.045 1.00 0.00 C ATOM 560 C ILE A 35 7.419 -10.939 5.032 1.00 0.00 C ATOM 561 O ILE A 35 8.546 -11.233 5.381 1.00 0.00 O ATOM 562 CB ILE A 35 6.553 -9.519 6.903 1.00 0.00 C ATOM 563 CG1 ILE A 35 5.361 -9.288 7.841 1.00 0.00 C ATOM 564 CG2 ILE A 35 6.727 -8.299 5.996 1.00 0.00 C ATOM 565 CD1 ILE A 35 5.737 -8.256 8.906 1.00 0.00 C ATOM 0 H ILE A 35 7.034 -12.196 7.438 1.00 0.00 H new ATOM 0 HA ILE A 35 5.348 -10.631 5.501 1.00 0.00 H new ATOM 0 HB ILE A 35 7.460 -9.669 7.489 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.499 -8.940 7.271 1.00 0.00 H new ATOM 0 HG13 ILE A 35 5.072 -10.226 8.315 1.00 0.00 H new ATOM 0 HG21 ILE A 35 6.919 -7.416 6.606 1.00 0.00 H new ATOM 0 HG22 ILE A 35 7.568 -8.464 5.322 1.00 0.00 H new ATOM 0 HG23 ILE A 35 5.819 -8.147 5.413 1.00 0.00 H new ATOM 0 HD11 ILE A 35 4.889 -8.094 9.571 1.00 0.00 H new ATOM 0 HD12 ILE A 35 6.586 -8.622 9.484 1.00 0.00 H new ATOM 0 HD13 ILE A 35 6.005 -7.316 8.423 1.00 0.00 H new ATOM 577 N SER A 36 7.112 -10.754 3.775 1.00 0.00 N ATOM 578 CA SER A 36 8.144 -10.898 2.706 1.00 0.00 C ATOM 579 C SER A 36 9.057 -9.669 2.706 1.00 0.00 C ATOM 580 O SER A 36 10.271 -9.768 2.765 1.00 0.00 O ATOM 581 CB SER A 36 7.437 -10.993 1.352 1.00 0.00 C ATOM 582 OG SER A 36 8.406 -11.104 0.318 1.00 0.00 O ATOM 0 H SER A 36 6.181 -10.507 3.440 1.00 0.00 H new ATOM 0 HA SER A 36 8.739 -11.793 2.886 1.00 0.00 H new ATOM 0 HB2 SER A 36 6.773 -11.857 1.337 1.00 0.00 H new ATOM 0 HB3 SER A 36 6.817 -10.111 1.191 1.00 0.00 H new ATOM 0 HG SER A 36 7.954 -11.166 -0.549 1.00 0.00 H new ATOM 588 N GLN A 37 8.477 -8.503 2.634 1.00 0.00 N ATOM 589 CA GLN A 37 9.300 -7.257 2.623 1.00 0.00 C ATOM 590 C GLN A 37 8.548 -6.130 3.327 1.00 0.00 C ATOM 591 O GLN A 37 7.334 -6.054 3.285 1.00 0.00 O ATOM 592 CB GLN A 37 9.591 -6.840 1.177 1.00 0.00 C ATOM 593 CG GLN A 37 10.305 -5.471 1.157 1.00 0.00 C ATOM 594 CD GLN A 37 9.272 -4.345 1.029 1.00 0.00 C ATOM 595 OE1 GLN A 37 8.790 -3.827 2.018 1.00 0.00 O ATOM 596 NE2 GLN A 37 8.908 -3.948 -0.158 1.00 0.00 N ATOM 0 H GLN A 37 7.469 -8.357 2.582 1.00 0.00 H new ATOM 0 HA GLN A 37 10.237 -7.450 3.144 1.00 0.00 H new ATOM 0 HB2 GLN A 37 10.213 -7.591 0.691 1.00 0.00 H new ATOM 0 HB3 GLN A 37 8.661 -6.783 0.612 1.00 0.00 H new ATOM 0 HG2 GLN A 37 10.886 -5.341 2.070 1.00 0.00 H new ATOM 0 HG3 GLN A 37 11.006 -5.429 0.324 1.00 0.00 H new ATOM 0 HE21 GLN A 37 9.312 -4.383 -0.987 1.00 0.00 H new ATOM 0 HE22 GLN A 37 8.219 -3.203 -0.257 1.00 0.00 H new ATOM 605 N VAL A 38 9.272 -5.253 3.967 1.00 0.00 N ATOM 606 CA VAL A 38 8.634 -4.109 4.687 1.00 0.00 C ATOM 607 C VAL A 38 9.383 -2.817 4.356 1.00 0.00 C ATOM 608 O VAL A 38 10.598 -2.786 4.298 1.00 0.00 O ATOM 609 CB VAL A 38 8.683 -4.364 6.196 1.00 0.00 C ATOM 610 CG1 VAL A 38 10.124 -4.243 6.707 1.00 0.00 C ATOM 611 CG2 VAL A 38 7.803 -3.331 6.905 1.00 0.00 C ATOM 0 H VAL A 38 10.290 -5.279 4.024 1.00 0.00 H new ATOM 0 HA VAL A 38 7.595 -4.013 4.372 1.00 0.00 H new ATOM 0 HB VAL A 38 8.319 -5.370 6.403 1.00 0.00 H new ATOM 0 HG11 VAL A 38 10.146 -4.426 7.781 1.00 0.00 H new ATOM 0 HG12 VAL A 38 10.752 -4.976 6.201 1.00 0.00 H new ATOM 0 HG13 VAL A 38 10.500 -3.240 6.502 1.00 0.00 H new ATOM 0 HG21 VAL A 38 7.832 -3.505 7.981 1.00 0.00 H new ATOM 0 HG22 VAL A 38 8.173 -2.329 6.690 1.00 0.00 H new ATOM 0 HG23 VAL A 38 6.776 -3.423 6.550 1.00 0.00 H new ATOM 621 N GLY A 39 8.663 -1.752 4.138 1.00 0.00 N ATOM 622 CA GLY A 39 9.331 -0.465 3.802 1.00 0.00 C ATOM 623 C GLY A 39 8.387 0.710 4.057 1.00 0.00 C ATOM 624 O GLY A 39 7.371 0.577 4.713 1.00 0.00 O ATOM 0 H GLY A 39 7.644 -1.717 4.178 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.234 -0.350 4.401 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.640 -0.471 2.757 1.00 0.00 H new ATOM 628 N LEU A 40 8.731 1.865 3.538 1.00 0.00 N ATOM 629 CA LEU A 40 7.877 3.078 3.736 1.00 0.00 C ATOM 630 C LEU A 40 7.673 3.782 2.397 1.00 0.00 C ATOM 631 O LEU A 40 8.556 3.819 1.561 1.00 0.00 O ATOM 632 CB LEU A 40 8.552 4.039 4.721 1.00 0.00 C ATOM 633 CG LEU A 40 10.047 4.227 4.354 1.00 0.00 C ATOM 634 CD1 LEU A 40 10.494 5.652 4.706 1.00 0.00 C ATOM 635 CD2 LEU A 40 10.915 3.228 5.137 1.00 0.00 C ATOM 0 H LEU A 40 9.572 2.019 2.982 1.00 0.00 H new ATOM 0 HA LEU A 40 6.912 2.772 4.140 1.00 0.00 H new ATOM 0 HB2 LEU A 40 8.043 5.003 4.705 1.00 0.00 H new ATOM 0 HB3 LEU A 40 8.466 3.650 5.735 1.00 0.00 H new ATOM 0 HG LEU A 40 10.166 4.054 3.284 1.00 0.00 H new ATOM 0 HD11 LEU A 40 11.545 5.778 4.446 1.00 0.00 H new ATOM 0 HD12 LEU A 40 9.893 6.370 4.148 1.00 0.00 H new ATOM 0 HD13 LEU A 40 10.362 5.821 5.775 1.00 0.00 H new ATOM 0 HD21 LEU A 40 11.963 3.370 4.871 1.00 0.00 H new ATOM 0 HD22 LEU A 40 10.787 3.395 6.207 1.00 0.00 H new ATOM 0 HD23 LEU A 40 10.612 2.211 4.889 1.00 0.00 H new ATOM 647 N LEU A 41 6.504 4.331 2.193 1.00 0.00 N ATOM 648 CA LEU A 41 6.194 5.029 0.909 1.00 0.00 C ATOM 649 C LEU A 41 5.935 6.514 1.178 1.00 0.00 C ATOM 650 O LEU A 41 5.253 6.888 2.120 1.00 0.00 O ATOM 651 CB LEU A 41 4.945 4.404 0.291 1.00 0.00 C ATOM 652 CG LEU A 41 5.099 2.880 0.232 1.00 0.00 C ATOM 653 CD1 LEU A 41 3.796 2.256 -0.272 1.00 0.00 C ATOM 654 CD2 LEU A 41 6.237 2.510 -0.724 1.00 0.00 C ATOM 0 H LEU A 41 5.741 4.325 2.870 1.00 0.00 H new ATOM 0 HA LEU A 41 7.038 4.928 0.226 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.067 4.667 0.880 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.787 4.801 -0.712 1.00 0.00 H new ATOM 0 HG LEU A 41 5.327 2.504 1.229 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.904 1.172 -0.314 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.983 2.513 0.407 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.571 2.637 -1.268 1.00 0.00 H new ATOM 0 HD21 LEU A 41 6.342 1.426 -0.762 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.012 2.888 -1.721 1.00 0.00 H new ATOM 0 HD23 LEU A 41 7.168 2.953 -0.370 1.00 0.00 H new ATOM 666 N GLY A 42 6.493 7.352 0.349 1.00 0.00 N ATOM 667 CA GLY A 42 6.324 8.823 0.515 1.00 0.00 C ATOM 668 C GLY A 42 5.016 9.301 -0.117 1.00 0.00 C ATOM 669 O GLY A 42 4.415 8.625 -0.936 1.00 0.00 O ATOM 0 H GLY A 42 7.067 7.076 -0.448 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.333 9.076 1.575 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.165 9.343 0.056 1.00 0.00 H new ATOM 673 N ASP A 43 4.590 10.478 0.264 1.00 0.00 N ATOM 674 CA ASP A 43 3.331 11.055 -0.286 1.00 0.00 C ATOM 675 C ASP A 43 3.161 12.487 0.242 1.00 0.00 C ATOM 676 O ASP A 43 3.519 12.801 1.362 1.00 0.00 O ATOM 677 CB ASP A 43 2.134 10.201 0.149 1.00 0.00 C ATOM 678 CG ASP A 43 0.856 10.727 -0.510 1.00 0.00 C ATOM 679 OD1 ASP A 43 0.923 11.762 -1.149 1.00 0.00 O ATOM 680 OD2 ASP A 43 -0.166 10.077 -0.369 1.00 0.00 O ATOM 0 H ASP A 43 5.069 11.070 0.942 1.00 0.00 H new ATOM 0 HA ASP A 43 3.382 11.068 -1.375 1.00 0.00 H new ATOM 0 HB2 ASP A 43 2.297 9.160 -0.131 1.00 0.00 H new ATOM 0 HB3 ASP A 43 2.032 10.227 1.234 1.00 0.00 H new ATOM 685 N GLU A 44 2.614 13.350 -0.569 1.00 0.00 N ATOM 686 CA GLU A 44 2.401 14.768 -0.155 1.00 0.00 C ATOM 687 C GLU A 44 1.605 14.820 1.155 1.00 0.00 C ATOM 688 O GLU A 44 1.541 15.839 1.816 1.00 0.00 O ATOM 689 CB GLU A 44 1.619 15.491 -1.256 1.00 0.00 C ATOM 690 CG GLU A 44 2.491 15.609 -2.508 1.00 0.00 C ATOM 691 CD GLU A 44 1.716 16.321 -3.621 1.00 0.00 C ATOM 692 OE1 GLU A 44 1.002 15.647 -4.345 1.00 0.00 O ATOM 693 OE2 GLU A 44 1.857 17.528 -3.733 1.00 0.00 O ATOM 0 H GLU A 44 2.301 13.131 -1.515 1.00 0.00 H new ATOM 0 HA GLU A 44 3.366 15.251 -0.000 1.00 0.00 H new ATOM 0 HB2 GLU A 44 0.705 14.944 -1.487 1.00 0.00 H new ATOM 0 HB3 GLU A 44 1.320 16.482 -0.914 1.00 0.00 H new ATOM 0 HG2 GLU A 44 3.401 16.162 -2.276 1.00 0.00 H new ATOM 0 HG3 GLU A 44 2.797 14.618 -2.843 1.00 0.00 H new ATOM 700 N THR A 45 0.995 13.726 1.534 1.00 0.00 N ATOM 701 CA THR A 45 0.200 13.706 2.798 1.00 0.00 C ATOM 702 C THR A 45 1.077 13.213 3.952 1.00 0.00 C ATOM 703 O THR A 45 0.711 13.316 5.105 1.00 0.00 O ATOM 704 CB THR A 45 -0.994 12.766 2.622 1.00 0.00 C ATOM 705 OG1 THR A 45 -0.528 11.427 2.513 1.00 0.00 O ATOM 706 CG2 THR A 45 -1.754 13.147 1.354 1.00 0.00 C ATOM 0 H THR A 45 1.014 12.844 1.021 1.00 0.00 H new ATOM 0 HA THR A 45 -0.154 14.712 3.024 1.00 0.00 H new ATOM 0 HB THR A 45 -1.657 12.850 3.483 1.00 0.00 H new ATOM 0 HG1 THR A 45 -1.268 10.844 2.244 1.00 0.00 H new ATOM 0 HG21 THR A 45 -2.606 12.479 1.226 1.00 0.00 H new ATOM 0 HG22 THR A 45 -2.108 14.175 1.437 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.092 13.060 0.493 1.00 0.00 H new ATOM 714 N GLY A 46 2.240 12.691 3.651 1.00 0.00 N ATOM 715 CA GLY A 46 3.149 12.207 4.739 1.00 0.00 C ATOM 716 C GLY A 46 3.807 10.885 4.341 1.00 0.00 C ATOM 717 O GLY A 46 3.905 10.551 3.176 1.00 0.00 O ATOM 0 H GLY A 46 2.600 12.579 2.703 1.00 0.00 H new ATOM 0 HA2 GLY A 46 3.916 12.955 4.940 1.00 0.00 H new ATOM 0 HA3 GLY A 46 2.583 12.075 5.661 1.00 0.00 H new ATOM 721 N ILE A 47 4.260 10.137 5.316 1.00 0.00 N ATOM 722 CA ILE A 47 4.930 8.828 5.041 1.00 0.00 C ATOM 723 C ILE A 47 4.215 7.718 5.813 1.00 0.00 C ATOM 724 O ILE A 47 3.906 7.859 6.981 1.00 0.00 O ATOM 725 CB ILE A 47 6.396 8.894 5.485 1.00 0.00 C ATOM 726 CG1 ILE A 47 7.140 9.937 4.639 1.00 0.00 C ATOM 727 CG2 ILE A 47 7.042 7.521 5.293 1.00 0.00 C ATOM 728 CD1 ILE A 47 8.541 10.179 5.211 1.00 0.00 C ATOM 0 H ILE A 47 4.193 10.381 6.304 1.00 0.00 H new ATOM 0 HA ILE A 47 4.885 8.618 3.972 1.00 0.00 H new ATOM 0 HB ILE A 47 6.450 9.178 6.536 1.00 0.00 H new ATOM 0 HG12 ILE A 47 7.215 9.593 3.607 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.579 10.871 4.624 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.085 7.562 5.607 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.511 6.782 5.893 1.00 0.00 H new ATOM 0 HG23 ILE A 47 6.991 7.239 4.241 1.00 0.00 H new ATOM 0 HD11 ILE A 47 9.059 10.920 4.603 1.00 0.00 H new ATOM 0 HD12 ILE A 47 8.458 10.543 6.235 1.00 0.00 H new ATOM 0 HD13 ILE A 47 9.104 9.245 5.203 1.00 0.00 H new ATOM 740 N ILE A 48 3.948 6.616 5.157 1.00 0.00 N ATOM 741 CA ILE A 48 3.245 5.473 5.825 1.00 0.00 C ATOM 742 C ILE A 48 4.027 4.179 5.603 1.00 0.00 C ATOM 743 O ILE A 48 4.583 3.942 4.545 1.00 0.00 O ATOM 744 CB ILE A 48 1.834 5.321 5.253 1.00 0.00 C ATOM 745 CG1 ILE A 48 1.126 4.168 5.967 1.00 0.00 C ATOM 746 CG2 ILE A 48 1.904 5.026 3.752 1.00 0.00 C ATOM 747 CD1 ILE A 48 -0.367 4.202 5.641 1.00 0.00 C ATOM 0 H ILE A 48 4.188 6.456 4.179 1.00 0.00 H new ATOM 0 HA ILE A 48 3.180 5.676 6.894 1.00 0.00 H new ATOM 0 HB ILE A 48 1.281 6.248 5.406 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.555 3.216 5.655 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.275 4.247 7.044 1.00 0.00 H new ATOM 0 HG21 ILE A 48 0.895 4.920 3.355 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.410 5.847 3.243 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.458 4.101 3.588 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.869 3.380 6.151 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.791 5.149 5.975 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.507 4.101 4.565 1.00 0.00 H new ATOM 759 N LYS A 49 4.068 3.347 6.607 1.00 0.00 N ATOM 760 CA LYS A 49 4.807 2.056 6.503 1.00 0.00 C ATOM 761 C LYS A 49 3.904 0.981 5.901 1.00 0.00 C ATOM 762 O LYS A 49 2.690 1.018 6.033 1.00 0.00 O ATOM 763 CB LYS A 49 5.256 1.616 7.894 1.00 0.00 C ATOM 764 CG LYS A 49 6.320 2.583 8.416 1.00 0.00 C ATOM 765 CD LYS A 49 6.952 2.013 9.690 1.00 0.00 C ATOM 766 CE LYS A 49 5.923 1.996 10.825 1.00 0.00 C ATOM 767 NZ LYS A 49 6.622 1.830 12.132 1.00 0.00 N ATOM 0 H LYS A 49 3.615 3.509 7.507 1.00 0.00 H new ATOM 0 HA LYS A 49 5.676 2.194 5.860 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.404 1.595 8.573 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.657 0.603 7.855 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.086 2.741 7.657 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.872 3.555 8.624 1.00 0.00 H new ATOM 0 HD2 LYS A 49 7.317 1.003 9.504 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.814 2.615 9.979 1.00 0.00 H new ATOM 0 HE2 LYS A 49 5.349 2.923 10.823 1.00 0.00 H new ATOM 0 HE3 LYS A 49 5.214 1.182 10.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 5.922 1.819 12.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.151 0.934 12.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.282 2.621 12.276 1.00 0.00 H new ATOM 781 N PHE A 50 4.487 0.016 5.237 1.00 0.00 N ATOM 782 CA PHE A 50 3.664 -1.063 4.617 1.00 0.00 C ATOM 783 C PHE A 50 4.377 -2.409 4.736 1.00 0.00 C ATOM 784 O PHE A 50 5.577 -2.482 4.945 1.00 0.00 O ATOM 785 CB PHE A 50 3.416 -0.739 3.139 1.00 0.00 C ATOM 786 CG PHE A 50 4.670 -0.966 2.314 1.00 0.00 C ATOM 787 CD1 PHE A 50 5.690 -0.006 2.297 1.00 0.00 C ATOM 788 CD2 PHE A 50 4.796 -2.132 1.545 1.00 0.00 C ATOM 789 CE1 PHE A 50 6.835 -0.215 1.516 1.00 0.00 C ATOM 790 CE2 PHE A 50 5.940 -2.341 0.768 1.00 0.00 C ATOM 791 CZ PHE A 50 6.959 -1.383 0.750 1.00 0.00 C ATOM 0 H PHE A 50 5.494 -0.071 5.098 1.00 0.00 H new ATOM 0 HA PHE A 50 2.710 -1.123 5.141 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.607 -1.362 2.757 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.094 0.297 3.039 1.00 0.00 H new ATOM 0 HD1 PHE A 50 5.594 0.895 2.885 1.00 0.00 H new ATOM 0 HD2 PHE A 50 4.008 -2.870 1.553 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.622 0.524 1.504 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.037 -3.243 0.182 1.00 0.00 H new ATOM 0 HZ PHE A 50 7.840 -1.543 0.147 1.00 0.00 H new ATOM 801 N THR A 51 3.632 -3.471 4.606 1.00 0.00 N ATOM 802 CA THR A 51 4.227 -4.837 4.706 1.00 0.00 C ATOM 803 C THR A 51 3.615 -5.736 3.630 1.00 0.00 C ATOM 804 O THR A 51 2.421 -5.713 3.394 1.00 0.00 O ATOM 805 CB THR A 51 3.933 -5.422 6.090 1.00 0.00 C ATOM 806 OG1 THR A 51 4.285 -6.796 6.106 1.00 0.00 O ATOM 807 CG2 THR A 51 2.449 -5.273 6.412 1.00 0.00 C ATOM 0 H THR A 51 2.627 -3.453 4.433 1.00 0.00 H new ATOM 0 HA THR A 51 5.306 -4.777 4.560 1.00 0.00 H new ATOM 0 HB THR A 51 4.517 -4.886 6.838 1.00 0.00 H new ATOM 0 HG1 THR A 51 3.472 -7.341 6.155 1.00 0.00 H new ATOM 0 HG21 THR A 51 2.247 -5.691 7.398 1.00 0.00 H new ATOM 0 HG22 THR A 51 2.179 -4.217 6.404 1.00 0.00 H new ATOM 0 HG23 THR A 51 1.859 -5.804 5.665 1.00 0.00 H new ATOM 815 N ILE A 52 4.428 -6.530 2.984 1.00 0.00 N ATOM 816 CA ILE A 52 3.915 -7.445 1.918 1.00 0.00 C ATOM 817 C ILE A 52 3.893 -8.882 2.435 1.00 0.00 C ATOM 818 O ILE A 52 4.914 -9.454 2.769 1.00 0.00 O ATOM 819 CB ILE A 52 4.822 -7.365 0.690 1.00 0.00 C ATOM 820 CG1 ILE A 52 4.817 -5.931 0.149 1.00 0.00 C ATOM 821 CG2 ILE A 52 4.299 -8.320 -0.385 1.00 0.00 C ATOM 822 CD1 ILE A 52 5.896 -5.778 -0.927 1.00 0.00 C ATOM 0 H ILE A 52 5.433 -6.585 3.149 1.00 0.00 H new ATOM 0 HA ILE A 52 2.904 -7.142 1.646 1.00 0.00 H new ATOM 0 HB ILE A 52 5.839 -7.646 0.963 1.00 0.00 H new ATOM 0 HG12 ILE A 52 3.838 -5.693 -0.268 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.997 -5.226 0.960 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.942 -8.267 -1.263 1.00 0.00 H new ATOM 0 HG22 ILE A 52 4.298 -9.339 0.003 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.284 -8.036 -0.661 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.888 -4.757 -1.308 1.00 0.00 H new ATOM 0 HD12 ILE A 52 6.873 -5.997 -0.496 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.696 -6.471 -1.744 1.00 0.00 H new ATOM 834 N TRP A 53 2.728 -9.466 2.495 1.00 0.00 N ATOM 835 CA TRP A 53 2.614 -10.867 2.984 1.00 0.00 C ATOM 836 C TRP A 53 2.853 -11.835 1.823 1.00 0.00 C ATOM 837 O TRP A 53 2.454 -11.593 0.699 1.00 0.00 O ATOM 838 CB TRP A 53 1.216 -11.074 3.567 1.00 0.00 C ATOM 839 CG TRP A 53 1.077 -10.244 4.803 1.00 0.00 C ATOM 840 CD1 TRP A 53 0.834 -8.912 4.821 1.00 0.00 C ATOM 841 CD2 TRP A 53 1.169 -10.663 6.195 1.00 0.00 C ATOM 842 NE1 TRP A 53 0.776 -8.486 6.137 1.00 0.00 N ATOM 843 CE2 TRP A 53 0.974 -9.530 7.021 1.00 0.00 C ATOM 844 CE3 TRP A 53 1.403 -11.905 6.813 1.00 0.00 C ATOM 845 CZ2 TRP A 53 1.009 -9.627 8.413 1.00 0.00 C ATOM 846 CZ3 TRP A 53 1.438 -12.006 8.214 1.00 0.00 C ATOM 847 CH2 TRP A 53 1.241 -10.869 9.011 1.00 0.00 C ATOM 0 H TRP A 53 1.846 -9.030 2.225 1.00 0.00 H new ATOM 0 HA TRP A 53 3.360 -11.057 3.756 1.00 0.00 H new ATOM 0 HB2 TRP A 53 0.458 -10.792 2.837 1.00 0.00 H new ATOM 0 HB3 TRP A 53 1.057 -12.127 3.801 1.00 0.00 H new ATOM 0 HD1 TRP A 53 0.706 -8.285 3.951 1.00 0.00 H new ATOM 0 HE1 TRP A 53 0.608 -7.520 6.420 1.00 0.00 H new ATOM 0 HE3 TRP A 53 1.557 -12.786 6.207 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 0.858 -8.749 9.023 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 1.617 -12.964 8.679 1.00 0.00 H new ATOM 0 HH2 TRP A 53 1.269 -10.953 10.087 1.00 0.00 H new ATOM 858 N LYS A 54 3.510 -12.927 2.093 1.00 0.00 N ATOM 859 CA LYS A 54 3.799 -13.924 1.022 1.00 0.00 C ATOM 860 C LYS A 54 2.493 -14.490 0.455 1.00 0.00 C ATOM 861 O LYS A 54 2.486 -15.193 -0.537 1.00 0.00 O ATOM 862 CB LYS A 54 4.631 -15.063 1.614 1.00 0.00 C ATOM 863 CG LYS A 54 6.025 -14.545 1.967 1.00 0.00 C ATOM 864 CD LYS A 54 6.863 -15.682 2.556 1.00 0.00 C ATOM 865 CE LYS A 54 8.264 -15.165 2.890 1.00 0.00 C ATOM 866 NZ LYS A 54 9.075 -16.271 3.473 1.00 0.00 N ATOM 0 H LYS A 54 3.863 -13.175 3.017 1.00 0.00 H new ATOM 0 HA LYS A 54 4.349 -13.436 0.217 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.143 -15.460 2.504 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.706 -15.883 0.899 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.511 -14.145 1.077 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.949 -13.727 2.684 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.385 -16.073 3.454 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.928 -16.506 1.845 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.746 -14.781 1.991 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.199 -14.336 3.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 9.761 -15.879 4.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 8.448 -16.940 3.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 9.583 -16.767 2.713 1.00 0.00 H new ATOM 880 N ASN A 55 1.388 -14.182 1.073 1.00 0.00 N ATOM 881 CA ASN A 55 0.082 -14.694 0.563 1.00 0.00 C ATOM 882 C ASN A 55 -0.320 -13.890 -0.682 1.00 0.00 C ATOM 883 O ASN A 55 -1.231 -14.247 -1.404 1.00 0.00 O ATOM 884 CB ASN A 55 -0.977 -14.531 1.652 1.00 0.00 C ATOM 885 CG ASN A 55 -2.250 -15.278 1.252 1.00 0.00 C ATOM 886 OD1 ASN A 55 -3.297 -14.681 1.091 1.00 0.00 O ATOM 887 ND2 ASN A 55 -2.205 -16.572 1.089 1.00 0.00 N ATOM 0 H ASN A 55 1.330 -13.599 1.908 1.00 0.00 H new ATOM 0 HA ASN A 55 0.169 -15.748 0.299 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -0.600 -14.917 2.599 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -1.197 -13.474 1.803 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -3.048 -17.083 0.827 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -1.327 -17.073 1.224 1.00 0.00 H new ATOM 894 N ALA A 56 0.374 -12.812 -0.940 1.00 0.00 N ATOM 895 CA ALA A 56 0.067 -11.972 -2.141 1.00 0.00 C ATOM 896 C ALA A 56 0.973 -12.415 -3.298 1.00 0.00 C ATOM 897 O ALA A 56 0.688 -12.188 -4.460 1.00 0.00 O ATOM 898 CB ALA A 56 0.350 -10.504 -1.806 1.00 0.00 C ATOM 0 H ALA A 56 1.147 -12.473 -0.367 1.00 0.00 H new ATOM 0 HA ALA A 56 -0.979 -12.088 -2.426 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.129 -9.884 -2.675 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.277 -10.194 -0.970 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.399 -10.388 -1.535 1.00 0.00 H new ATOM 904 N GLU A 57 2.067 -13.052 -2.964 1.00 0.00 N ATOM 905 CA GLU A 57 3.035 -13.535 -3.996 1.00 0.00 C ATOM 906 C GLU A 57 3.191 -12.488 -5.095 1.00 0.00 C ATOM 907 O GLU A 57 3.072 -12.766 -6.274 1.00 0.00 O ATOM 908 CB GLU A 57 2.546 -14.866 -4.589 1.00 0.00 C ATOM 909 CG GLU A 57 2.503 -15.930 -3.473 1.00 0.00 C ATOM 910 CD GLU A 57 1.177 -15.837 -2.707 1.00 0.00 C ATOM 911 OE1 GLU A 57 0.420 -14.922 -2.978 1.00 0.00 O ATOM 912 OE2 GLU A 57 0.948 -16.679 -1.855 1.00 0.00 O ATOM 0 H GLU A 57 2.335 -13.261 -2.002 1.00 0.00 H new ATOM 0 HA GLU A 57 4.006 -13.696 -3.528 1.00 0.00 H new ATOM 0 HB2 GLU A 57 1.556 -14.741 -5.028 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.211 -15.188 -5.390 1.00 0.00 H new ATOM 0 HG2 GLU A 57 2.614 -16.925 -3.904 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.339 -15.784 -2.788 1.00 0.00 H new ATOM 919 N LEU A 58 3.464 -11.274 -4.704 1.00 0.00 N ATOM 920 CA LEU A 58 3.636 -10.185 -5.704 1.00 0.00 C ATOM 921 C LEU A 58 5.127 -10.025 -6.030 1.00 0.00 C ATOM 922 O LEU A 58 5.975 -10.275 -5.197 1.00 0.00 O ATOM 923 CB LEU A 58 3.105 -8.876 -5.114 1.00 0.00 C ATOM 924 CG LEU A 58 1.565 -8.895 -5.111 1.00 0.00 C ATOM 925 CD1 LEU A 58 1.035 -7.945 -4.032 1.00 0.00 C ATOM 926 CD2 LEU A 58 1.028 -8.449 -6.480 1.00 0.00 C ATOM 0 H LEU A 58 3.576 -10.989 -3.731 1.00 0.00 H new ATOM 0 HA LEU A 58 3.088 -10.430 -6.614 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.479 -8.746 -4.098 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.467 -8.030 -5.698 1.00 0.00 H new ATOM 0 HG LEU A 58 1.230 -9.911 -4.903 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.055 -7.963 -4.035 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.401 -8.263 -3.056 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.382 -6.932 -4.237 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.062 -8.466 -6.467 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.372 -7.437 -6.694 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.392 -9.127 -7.252 1.00 0.00 H new ATOM 938 N PRO A 59 5.448 -9.604 -7.230 1.00 0.00 N ATOM 939 CA PRO A 59 6.867 -9.404 -7.650 1.00 0.00 C ATOM 940 C PRO A 59 7.521 -8.240 -6.905 1.00 0.00 C ATOM 941 O PRO A 59 8.488 -7.652 -7.352 1.00 0.00 O ATOM 942 CB PRO A 59 6.779 -9.123 -9.161 1.00 0.00 C ATOM 943 CG PRO A 59 5.372 -8.661 -9.408 1.00 0.00 C ATOM 944 CD PRO A 59 4.504 -9.281 -8.310 1.00 0.00 C ATOM 0 HA PRO A 59 7.487 -10.271 -7.422 1.00 0.00 H new ATOM 0 HB2 PRO A 59 7.499 -8.361 -9.460 1.00 0.00 H new ATOM 0 HB3 PRO A 59 7.004 -10.019 -9.739 1.00 0.00 H new ATOM 0 HG2 PRO A 59 5.312 -7.573 -9.380 1.00 0.00 H new ATOM 0 HG3 PRO A 59 5.030 -8.974 -10.394 1.00 0.00 H new ATOM 0 HD2 PRO A 59 3.737 -8.585 -7.971 1.00 0.00 H new ATOM 0 HD3 PRO A 59 3.990 -10.173 -8.667 1.00 0.00 H new ATOM 952 N LEU A 60 6.986 -7.924 -5.771 1.00 0.00 N ATOM 953 CA LEU A 60 7.535 -6.812 -4.944 1.00 0.00 C ATOM 954 C LEU A 60 7.515 -5.504 -5.738 1.00 0.00 C ATOM 955 O LEU A 60 7.587 -5.490 -6.953 1.00 0.00 O ATOM 956 CB LEU A 60 8.969 -7.131 -4.513 1.00 0.00 C ATOM 957 CG LEU A 60 9.008 -8.485 -3.796 1.00 0.00 C ATOM 958 CD1 LEU A 60 10.456 -8.814 -3.430 1.00 0.00 C ATOM 959 CD2 LEU A 60 8.157 -8.431 -2.516 1.00 0.00 C ATOM 0 H LEU A 60 6.175 -8.394 -5.368 1.00 0.00 H new ATOM 0 HA LEU A 60 6.913 -6.700 -4.056 1.00 0.00 H new ATOM 0 HB2 LEU A 60 9.624 -7.152 -5.384 1.00 0.00 H new ATOM 0 HB3 LEU A 60 9.342 -6.349 -3.852 1.00 0.00 H new ATOM 0 HG LEU A 60 8.606 -9.254 -4.456 1.00 0.00 H new ATOM 0 HD11 LEU A 60 10.493 -9.776 -2.919 1.00 0.00 H new ATOM 0 HD12 LEU A 60 11.059 -8.861 -4.337 1.00 0.00 H new ATOM 0 HD13 LEU A 60 10.850 -8.039 -2.773 1.00 0.00 H new ATOM 0 HD21 LEU A 60 8.192 -9.398 -2.015 1.00 0.00 H new ATOM 0 HD22 LEU A 60 8.550 -7.663 -1.850 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.125 -8.194 -2.775 1.00 0.00 H new ATOM 971 N LEU A 61 7.411 -4.405 -5.043 1.00 0.00 N ATOM 972 CA LEU A 61 7.375 -3.077 -5.721 1.00 0.00 C ATOM 973 C LEU A 61 8.803 -2.586 -5.973 1.00 0.00 C ATOM 974 O LEU A 61 9.700 -2.808 -5.184 1.00 0.00 O ATOM 975 CB LEU A 61 6.626 -2.079 -4.835 1.00 0.00 C ATOM 976 CG LEU A 61 5.119 -2.339 -4.940 1.00 0.00 C ATOM 977 CD1 LEU A 61 4.810 -3.777 -4.496 1.00 0.00 C ATOM 978 CD2 LEU A 61 4.364 -1.352 -4.043 1.00 0.00 C ATOM 0 H LEU A 61 7.349 -4.369 -4.026 1.00 0.00 H new ATOM 0 HA LEU A 61 6.860 -3.168 -6.678 1.00 0.00 H new ATOM 0 HB2 LEU A 61 6.952 -2.178 -3.800 1.00 0.00 H new ATOM 0 HB3 LEU A 61 6.853 -1.059 -5.145 1.00 0.00 H new ATOM 0 HG LEU A 61 4.802 -2.205 -5.974 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.738 -3.959 -4.572 1.00 0.00 H new ATOM 0 HD12 LEU A 61 5.343 -4.478 -5.138 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.129 -3.915 -3.463 1.00 0.00 H new ATOM 0 HD21 LEU A 61 3.293 -1.538 -4.119 1.00 0.00 H new ATOM 0 HD22 LEU A 61 4.683 -1.483 -3.009 1.00 0.00 H new ATOM 0 HD23 LEU A 61 4.579 -0.332 -4.363 1.00 0.00 H new ATOM 990 N GLU A 62 9.014 -1.934 -7.082 1.00 0.00 N ATOM 991 CA GLU A 62 10.379 -1.438 -7.422 1.00 0.00 C ATOM 992 C GLU A 62 10.612 -0.051 -6.820 1.00 0.00 C ATOM 993 O GLU A 62 9.695 0.722 -6.609 1.00 0.00 O ATOM 994 CB GLU A 62 10.517 -1.374 -8.942 1.00 0.00 C ATOM 995 CG GLU A 62 10.401 -2.787 -9.520 1.00 0.00 C ATOM 996 CD GLU A 62 11.590 -3.631 -9.058 1.00 0.00 C ATOM 997 OE1 GLU A 62 12.582 -3.050 -8.654 1.00 0.00 O ATOM 998 OE2 GLU A 62 11.486 -4.847 -9.112 1.00 0.00 O ATOM 0 H GLU A 62 8.295 -1.721 -7.773 1.00 0.00 H new ATOM 0 HA GLU A 62 11.123 -2.119 -7.009 1.00 0.00 H new ATOM 0 HB2 GLU A 62 9.743 -0.732 -9.362 1.00 0.00 H new ATOM 0 HB3 GLU A 62 11.477 -0.935 -9.213 1.00 0.00 H new ATOM 0 HG2 GLU A 62 9.468 -3.248 -9.196 1.00 0.00 H new ATOM 0 HG3 GLU A 62 10.374 -2.744 -10.609 1.00 0.00 H new ATOM 1005 N GLN A 63 11.847 0.246 -6.528 1.00 0.00 N ATOM 1006 CA GLN A 63 12.199 1.557 -5.912 1.00 0.00 C ATOM 1007 C GLN A 63 12.169 2.691 -6.945 1.00 0.00 C ATOM 1008 O GLN A 63 12.738 2.599 -8.017 1.00 0.00 O ATOM 1009 CB GLN A 63 13.606 1.458 -5.319 1.00 0.00 C ATOM 1010 CG GLN A 63 13.973 2.782 -4.647 1.00 0.00 C ATOM 1011 CD GLN A 63 15.298 2.637 -3.892 1.00 0.00 C ATOM 1012 OE1 GLN A 63 15.730 1.539 -3.598 1.00 0.00 O ATOM 1013 NE2 GLN A 63 15.964 3.711 -3.562 1.00 0.00 N ATOM 0 H GLN A 63 12.640 -0.374 -6.693 1.00 0.00 H new ATOM 0 HA GLN A 63 11.465 1.784 -5.139 1.00 0.00 H new ATOM 0 HB2 GLN A 63 13.650 0.646 -4.593 1.00 0.00 H new ATOM 0 HB3 GLN A 63 14.326 1.224 -6.103 1.00 0.00 H new ATOM 0 HG2 GLN A 63 14.056 3.569 -5.397 1.00 0.00 H new ATOM 0 HG3 GLN A 63 13.183 3.081 -3.958 1.00 0.00 H new ATOM 0 HE21 GLN A 63 15.601 4.632 -3.809 1.00 0.00 H new ATOM 0 HE22 GLN A 63 16.847 3.629 -3.058 1.00 0.00 H new ATOM 1022 N GLY A 64 11.524 3.774 -6.599 1.00 0.00 N ATOM 1023 CA GLY A 64 11.456 4.956 -7.514 1.00 0.00 C ATOM 1024 C GLY A 64 10.195 4.900 -8.379 1.00 0.00 C ATOM 1025 O GLY A 64 9.913 5.812 -9.133 1.00 0.00 O ATOM 0 H GLY A 64 11.035 3.893 -5.712 1.00 0.00 H new ATOM 0 HA2 GLY A 64 11.461 5.876 -6.929 1.00 0.00 H new ATOM 0 HA3 GLY A 64 12.340 4.979 -8.152 1.00 0.00 H new ATOM 1029 N GLU A 65 9.437 3.839 -8.289 1.00 0.00 N ATOM 1030 CA GLU A 65 8.195 3.723 -9.124 1.00 0.00 C ATOM 1031 C GLU A 65 6.944 3.998 -8.278 1.00 0.00 C ATOM 1032 O GLU A 65 6.898 3.729 -7.088 1.00 0.00 O ATOM 1033 CB GLU A 65 8.110 2.312 -9.716 1.00 0.00 C ATOM 1034 CG GLU A 65 9.229 2.103 -10.751 1.00 0.00 C ATOM 1035 CD GLU A 65 10.543 1.752 -10.044 1.00 0.00 C ATOM 1036 OE1 GLU A 65 10.564 1.778 -8.825 1.00 0.00 O ATOM 1037 OE2 GLU A 65 11.506 1.465 -10.737 1.00 0.00 O ATOM 0 H GLU A 65 9.620 3.046 -7.675 1.00 0.00 H new ATOM 0 HA GLU A 65 8.243 4.461 -9.925 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.196 1.570 -8.922 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.138 2.165 -10.186 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.953 1.304 -11.440 1.00 0.00 H new ATOM 0 HG3 GLU A 65 9.358 3.007 -11.346 1.00 0.00 H new ATOM 1044 N SER A 66 5.928 4.536 -8.909 1.00 0.00 N ATOM 1045 CA SER A 66 4.652 4.842 -8.196 1.00 0.00 C ATOM 1046 C SER A 66 3.693 3.661 -8.346 1.00 0.00 C ATOM 1047 O SER A 66 3.538 3.106 -9.421 1.00 0.00 O ATOM 1048 CB SER A 66 4.018 6.090 -8.806 1.00 0.00 C ATOM 1049 OG SER A 66 4.057 5.990 -10.225 1.00 0.00 O ATOM 0 H SER A 66 5.931 4.778 -9.900 1.00 0.00 H new ATOM 0 HA SER A 66 4.856 5.016 -7.139 1.00 0.00 H new ATOM 0 HB2 SER A 66 2.988 6.193 -8.465 1.00 0.00 H new ATOM 0 HB3 SER A 66 4.553 6.981 -8.478 1.00 0.00 H new ATOM 0 HG SER A 66 3.849 5.071 -10.494 1.00 0.00 H new ATOM 1055 N TYR A 67 3.056 3.270 -7.269 1.00 0.00 N ATOM 1056 CA TYR A 67 2.113 2.109 -7.320 1.00 0.00 C ATOM 1057 C TYR A 67 0.736 2.497 -6.781 1.00 0.00 C ATOM 1058 O TYR A 67 0.600 3.260 -5.832 1.00 0.00 O ATOM 1059 CB TYR A 67 2.683 0.963 -6.486 1.00 0.00 C ATOM 1060 CG TYR A 67 3.938 0.450 -7.147 1.00 0.00 C ATOM 1061 CD1 TYR A 67 3.846 -0.452 -8.213 1.00 0.00 C ATOM 1062 CD2 TYR A 67 5.191 0.873 -6.695 1.00 0.00 C ATOM 1063 CE1 TYR A 67 5.008 -0.931 -8.828 1.00 0.00 C ATOM 1064 CE2 TYR A 67 6.355 0.395 -7.310 1.00 0.00 C ATOM 1065 CZ TYR A 67 6.264 -0.509 -8.376 1.00 0.00 C ATOM 1066 OH TYR A 67 7.411 -0.977 -8.982 1.00 0.00 O ATOM 0 H TYR A 67 3.149 3.707 -6.352 1.00 0.00 H new ATOM 0 HA TYR A 67 1.999 1.798 -8.358 1.00 0.00 H new ATOM 0 HB2 TYR A 67 2.904 1.307 -5.475 1.00 0.00 H new ATOM 0 HB3 TYR A 67 1.950 0.161 -6.397 1.00 0.00 H new ATOM 0 HD1 TYR A 67 2.877 -0.779 -8.561 1.00 0.00 H new ATOM 0 HD2 TYR A 67 5.262 1.568 -5.872 1.00 0.00 H new ATOM 0 HE1 TYR A 67 4.936 -1.626 -9.651 1.00 0.00 H new ATOM 0 HE2 TYR A 67 7.323 0.724 -6.962 1.00 0.00 H new ATOM 0 HH TYR A 67 7.227 -1.172 -9.925 1.00 0.00 H new ATOM 1076 N LEU A 68 -0.283 1.956 -7.398 1.00 0.00 N ATOM 1077 CA LEU A 68 -1.687 2.232 -6.983 1.00 0.00 C ATOM 1078 C LEU A 68 -2.236 0.990 -6.275 1.00 0.00 C ATOM 1079 O LEU A 68 -2.555 -0.007 -6.900 1.00 0.00 O ATOM 1080 CB LEU A 68 -2.517 2.541 -8.239 1.00 0.00 C ATOM 1081 CG LEU A 68 -4.020 2.483 -7.931 1.00 0.00 C ATOM 1082 CD1 LEU A 68 -4.332 3.358 -6.717 1.00 0.00 C ATOM 1083 CD2 LEU A 68 -4.806 3.002 -9.142 1.00 0.00 C ATOM 0 H LEU A 68 -0.196 1.320 -8.191 1.00 0.00 H new ATOM 0 HA LEU A 68 -1.734 3.084 -6.304 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.257 3.530 -8.617 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -2.275 1.825 -9.025 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.305 1.453 -7.718 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.400 3.314 -6.502 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.773 2.996 -5.854 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.046 4.389 -6.928 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.874 2.962 -8.927 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.516 4.032 -9.350 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.588 2.381 -10.011 1.00 0.00 H new ATOM 1095 N LEU A 69 -2.339 1.050 -4.973 1.00 0.00 N ATOM 1096 CA LEU A 69 -2.857 -0.115 -4.200 1.00 0.00 C ATOM 1097 C LEU A 69 -4.382 -0.146 -4.283 1.00 0.00 C ATOM 1098 O LEU A 69 -5.039 0.879 -4.253 1.00 0.00 O ATOM 1099 CB LEU A 69 -2.430 0.011 -2.736 1.00 0.00 C ATOM 1100 CG LEU A 69 -0.910 0.189 -2.651 1.00 0.00 C ATOM 1101 CD1 LEU A 69 -0.481 0.227 -1.181 1.00 0.00 C ATOM 1102 CD2 LEU A 69 -0.205 -0.973 -3.365 1.00 0.00 C ATOM 0 H LEU A 69 -2.085 1.861 -4.410 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.451 -1.036 -4.619 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.931 0.861 -2.274 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.733 -0.877 -2.182 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.631 1.125 -3.136 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.600 0.354 -1.121 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.973 1.061 -0.680 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.765 -0.706 -0.695 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.875 -0.839 -3.300 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.483 -1.914 -2.890 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.506 -0.992 -4.413 1.00 0.00 H new ATOM 1114 N ARG A 70 -4.944 -1.323 -4.400 1.00 0.00 N ATOM 1115 CA ARG A 70 -6.429 -1.447 -4.502 1.00 0.00 C ATOM 1116 C ARG A 70 -6.940 -2.587 -3.614 1.00 0.00 C ATOM 1117 O ARG A 70 -6.336 -3.640 -3.508 1.00 0.00 O ATOM 1118 CB ARG A 70 -6.813 -1.736 -5.954 1.00 0.00 C ATOM 1119 CG ARG A 70 -6.469 -0.530 -6.828 1.00 0.00 C ATOM 1120 CD ARG A 70 -6.737 -0.862 -8.301 1.00 0.00 C ATOM 1121 NE ARG A 70 -8.195 -1.104 -8.502 1.00 0.00 N ATOM 1122 CZ ARG A 70 -8.652 -1.496 -9.664 1.00 0.00 C ATOM 1123 NH1 ARG A 70 -7.841 -1.682 -10.669 1.00 0.00 N ATOM 1124 NH2 ARG A 70 -9.931 -1.704 -9.818 1.00 0.00 N ATOM 0 H ARG A 70 -4.435 -2.207 -4.429 1.00 0.00 H new ATOM 0 HA ARG A 70 -6.880 -0.512 -4.170 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.283 -2.619 -6.311 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -7.879 -1.954 -6.022 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -7.065 0.331 -6.526 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -5.422 -0.257 -6.692 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -6.403 -0.041 -8.936 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -6.168 -1.744 -8.595 1.00 0.00 H new ATOM 0 HE ARG A 70 -8.842 -0.963 -7.726 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -6.840 -1.522 -10.553 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -8.208 -1.988 -11.570 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -10.569 -1.561 -9.035 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -10.293 -2.010 -10.721 1.00 0.00 H new ATOM 1138 N SER A 71 -8.075 -2.368 -3.000 1.00 0.00 N ATOM 1139 CA SER A 71 -8.698 -3.402 -2.123 1.00 0.00 C ATOM 1140 C SER A 71 -7.706 -3.894 -1.067 1.00 0.00 C ATOM 1141 O SER A 71 -7.616 -5.075 -0.787 1.00 0.00 O ATOM 1142 CB SER A 71 -9.179 -4.575 -2.979 1.00 0.00 C ATOM 1143 OG SER A 71 -9.755 -4.068 -4.177 1.00 0.00 O ATOM 0 H SER A 71 -8.605 -1.499 -3.072 1.00 0.00 H new ATOM 0 HA SER A 71 -9.547 -2.955 -1.606 1.00 0.00 H new ATOM 0 HB2 SER A 71 -8.345 -5.237 -3.213 1.00 0.00 H new ATOM 0 HB3 SER A 71 -9.912 -5.166 -2.430 1.00 0.00 H new ATOM 0 HG SER A 71 -10.064 -4.814 -4.732 1.00 0.00 H new ATOM 1149 N VAL A 72 -6.977 -2.991 -0.464 1.00 0.00 N ATOM 1150 CA VAL A 72 -5.997 -3.396 0.595 1.00 0.00 C ATOM 1151 C VAL A 72 -6.608 -3.162 1.974 1.00 0.00 C ATOM 1152 O VAL A 72 -7.581 -2.446 2.120 1.00 0.00 O ATOM 1153 CB VAL A 72 -4.707 -2.586 0.456 1.00 0.00 C ATOM 1154 CG1 VAL A 72 -3.926 -3.084 -0.760 1.00 0.00 C ATOM 1155 CG2 VAL A 72 -5.035 -1.100 0.275 1.00 0.00 C ATOM 0 H VAL A 72 -7.016 -1.990 -0.657 1.00 0.00 H new ATOM 0 HA VAL A 72 -5.763 -4.454 0.477 1.00 0.00 H new ATOM 0 HB VAL A 72 -4.108 -2.711 1.358 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.006 -2.509 -0.862 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.682 -4.138 -0.629 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -4.532 -2.961 -1.657 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -4.110 -0.532 0.177 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -5.639 -0.967 -0.623 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.590 -0.742 1.142 1.00 0.00 H new ATOM 1165 N VAL A 73 -6.043 -3.782 2.982 1.00 0.00 N ATOM 1166 CA VAL A 73 -6.580 -3.637 4.370 1.00 0.00 C ATOM 1167 C VAL A 73 -5.629 -2.791 5.218 1.00 0.00 C ATOM 1168 O VAL A 73 -4.424 -2.956 5.184 1.00 0.00 O ATOM 1169 CB VAL A 73 -6.735 -5.029 4.998 1.00 0.00 C ATOM 1170 CG1 VAL A 73 -5.360 -5.650 5.287 1.00 0.00 C ATOM 1171 CG2 VAL A 73 -7.522 -4.904 6.302 1.00 0.00 C ATOM 0 H VAL A 73 -5.226 -4.387 2.901 1.00 0.00 H new ATOM 0 HA VAL A 73 -7.550 -3.140 4.331 1.00 0.00 H new ATOM 0 HB VAL A 73 -7.267 -5.675 4.299 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -5.492 -6.636 5.732 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.800 -5.744 4.356 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -4.810 -5.011 5.978 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -7.636 -5.889 6.754 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -6.986 -4.249 6.989 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -8.506 -4.484 6.094 1.00 0.00 H new ATOM 1181 N VAL A 74 -6.178 -1.878 5.975 1.00 0.00 N ATOM 1182 CA VAL A 74 -5.331 -1.002 6.828 1.00 0.00 C ATOM 1183 C VAL A 74 -4.912 -1.768 8.083 1.00 0.00 C ATOM 1184 O VAL A 74 -5.729 -2.288 8.820 1.00 0.00 O ATOM 1185 CB VAL A 74 -6.125 0.244 7.229 1.00 0.00 C ATOM 1186 CG1 VAL A 74 -5.269 1.128 8.139 1.00 0.00 C ATOM 1187 CG2 VAL A 74 -6.508 1.030 5.973 1.00 0.00 C ATOM 0 H VAL A 74 -7.181 -1.703 6.038 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.443 -0.701 6.272 1.00 0.00 H new ATOM 0 HB VAL A 74 -7.027 -0.058 7.761 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.836 2.014 8.423 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.994 0.570 9.034 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -4.366 1.430 7.608 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -7.073 1.917 6.257 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.605 1.330 5.442 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -7.119 0.403 5.324 1.00 0.00 H new ATOM 1197 N GLY A 75 -3.636 -1.836 8.318 1.00 0.00 N ATOM 1198 CA GLY A 75 -3.121 -2.564 9.507 1.00 0.00 C ATOM 1199 C GLY A 75 -3.175 -1.664 10.736 1.00 0.00 C ATOM 1200 O GLY A 75 -3.308 -0.457 10.636 1.00 0.00 O ATOM 0 H GLY A 75 -2.918 -1.413 7.730 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -3.714 -3.462 9.678 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.096 -2.888 9.329 1.00 0.00 H new ATOM 1204 N GLU A 76 -3.066 -2.257 11.897 1.00 0.00 N ATOM 1205 CA GLU A 76 -3.109 -1.474 13.168 1.00 0.00 C ATOM 1206 C GLU A 76 -1.760 -1.562 13.878 1.00 0.00 C ATOM 1207 O GLU A 76 -1.228 -2.632 14.112 1.00 0.00 O ATOM 1208 CB GLU A 76 -4.209 -2.035 14.077 1.00 0.00 C ATOM 1209 CG GLU A 76 -4.120 -3.565 14.143 1.00 0.00 C ATOM 1210 CD GLU A 76 -5.254 -4.105 15.022 1.00 0.00 C ATOM 1211 OE1 GLU A 76 -5.933 -3.300 15.639 1.00 0.00 O ATOM 1212 OE2 GLU A 76 -5.429 -5.312 15.058 1.00 0.00 O ATOM 0 H GLU A 76 -2.948 -3.263 12.019 1.00 0.00 H new ATOM 0 HA GLU A 76 -3.324 -0.430 12.940 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -4.111 -1.615 15.078 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -5.188 -1.737 13.701 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.190 -3.988 13.141 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -3.155 -3.867 14.550 1.00 0.00 H new ATOM 1219 N TYR A 77 -1.211 -0.431 14.224 1.00 0.00 N ATOM 1220 CA TYR A 77 0.102 -0.399 14.932 1.00 0.00 C ATOM 1221 C TYR A 77 -0.012 0.554 16.121 1.00 0.00 C ATOM 1222 O TYR A 77 0.393 1.696 16.066 1.00 0.00 O ATOM 1223 CB TYR A 77 1.193 0.078 13.967 1.00 0.00 C ATOM 1224 CG TYR A 77 1.592 -1.067 13.064 1.00 0.00 C ATOM 1225 CD1 TYR A 77 0.789 -1.410 11.968 1.00 0.00 C ATOM 1226 CD2 TYR A 77 2.761 -1.788 13.326 1.00 0.00 C ATOM 1227 CE1 TYR A 77 1.159 -2.475 11.137 1.00 0.00 C ATOM 1228 CE2 TYR A 77 3.130 -2.853 12.496 1.00 0.00 C ATOM 1229 CZ TYR A 77 2.330 -3.196 11.400 1.00 0.00 C ATOM 1230 OH TYR A 77 2.693 -4.247 10.583 1.00 0.00 O ATOM 0 H TYR A 77 -1.621 0.485 14.044 1.00 0.00 H new ATOM 0 HA TYR A 77 0.367 -1.395 15.287 1.00 0.00 H new ATOM 0 HB2 TYR A 77 0.829 0.916 13.373 1.00 0.00 H new ATOM 0 HB3 TYR A 77 2.058 0.435 14.525 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -0.114 -0.854 11.764 1.00 0.00 H new ATOM 0 HD2 TYR A 77 3.380 -1.523 14.170 1.00 0.00 H new ATOM 0 HE1 TYR A 77 0.540 -2.740 10.292 1.00 0.00 H new ATOM 0 HE2 TYR A 77 4.032 -3.410 12.701 1.00 0.00 H new ATOM 0 HH TYR A 77 3.532 -4.638 10.906 1.00 0.00 H new ATOM 1240 N ASN A 78 -0.565 0.068 17.197 1.00 0.00 N ATOM 1241 CA ASN A 78 -0.733 0.905 18.424 1.00 0.00 C ATOM 1242 C ASN A 78 -1.402 2.245 18.080 1.00 0.00 C ATOM 1243 O ASN A 78 -2.559 2.298 17.711 1.00 0.00 O ATOM 1244 CB ASN A 78 0.638 1.163 19.056 1.00 0.00 C ATOM 1245 CG ASN A 78 1.190 -0.143 19.637 1.00 0.00 C ATOM 1246 OD1 ASN A 78 0.514 -0.825 20.382 1.00 0.00 O ATOM 1247 ND2 ASN A 78 2.400 -0.524 19.323 1.00 0.00 N ATOM 0 H ASN A 78 -0.913 -0.887 17.282 1.00 0.00 H new ATOM 0 HA ASN A 78 -1.370 0.370 19.128 1.00 0.00 H new ATOM 0 HB2 ASN A 78 1.325 1.560 18.309 1.00 0.00 H new ATOM 0 HB3 ASN A 78 0.552 1.914 19.841 1.00 0.00 H new ATOM 0 HD21 ASN A 78 2.776 -1.393 19.703 1.00 0.00 H new ATOM 0 HD22 ASN A 78 2.968 0.047 18.698 1.00 0.00 H new ATOM 1254 N ASP A 79 -0.683 3.329 18.208 1.00 0.00 N ATOM 1255 CA ASP A 79 -1.276 4.669 17.895 1.00 0.00 C ATOM 1256 C ASP A 79 -1.031 5.006 16.422 1.00 0.00 C ATOM 1257 O ASP A 79 -1.518 5.995 15.908 1.00 0.00 O ATOM 1258 CB ASP A 79 -0.605 5.735 18.764 1.00 0.00 C ATOM 1259 CG ASP A 79 -0.983 5.525 20.232 1.00 0.00 C ATOM 1260 OD1 ASP A 79 -1.920 4.785 20.481 1.00 0.00 O ATOM 1261 OD2 ASP A 79 -0.331 6.110 21.082 1.00 0.00 O ATOM 0 H ASP A 79 0.289 3.348 18.516 1.00 0.00 H new ATOM 0 HA ASP A 79 -2.347 4.645 18.095 1.00 0.00 H new ATOM 0 HB2 ASP A 79 0.477 5.683 18.647 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -0.913 6.729 18.439 1.00 0.00 H new ATOM 1266 N ARG A 80 -0.263 4.195 15.744 1.00 0.00 N ATOM 1267 CA ARG A 80 0.049 4.460 14.303 1.00 0.00 C ATOM 1268 C ARG A 80 -0.783 3.552 13.398 1.00 0.00 C ATOM 1269 O ARG A 80 -1.382 2.590 13.838 1.00 0.00 O ATOM 1270 CB ARG A 80 1.528 4.186 14.041 1.00 0.00 C ATOM 1271 CG ARG A 80 2.377 5.253 14.734 1.00 0.00 C ATOM 1272 CD ARG A 80 3.860 4.976 14.471 1.00 0.00 C ATOM 1273 NE ARG A 80 4.688 6.026 15.133 1.00 0.00 N ATOM 1274 CZ ARG A 80 5.941 6.195 14.796 1.00 0.00 C ATOM 1275 NH1 ARG A 80 6.488 5.446 13.877 1.00 0.00 N ATOM 1276 NH2 ARG A 80 6.648 7.121 15.382 1.00 0.00 N ATOM 0 H ARG A 80 0.166 3.353 16.127 1.00 0.00 H new ATOM 0 HA ARG A 80 -0.188 5.502 14.086 1.00 0.00 H new ATOM 0 HB2 ARG A 80 1.796 3.196 14.411 1.00 0.00 H new ATOM 0 HB3 ARG A 80 1.725 4.190 12.969 1.00 0.00 H new ATOM 0 HG2 ARG A 80 2.110 6.243 14.364 1.00 0.00 H new ATOM 0 HG3 ARG A 80 2.180 5.250 15.806 1.00 0.00 H new ATOM 0 HD2 ARG A 80 4.130 3.991 14.852 1.00 0.00 H new ATOM 0 HD3 ARG A 80 4.055 4.967 13.399 1.00 0.00 H new ATOM 0 HE ARG A 80 4.274 6.617 15.854 1.00 0.00 H new ATOM 0 HH11 ARG A 80 5.938 4.722 13.415 1.00 0.00 H new ATOM 0 HH12 ARG A 80 7.465 5.585 13.621 1.00 0.00 H new ATOM 0 HH21 ARG A 80 6.224 7.709 16.099 1.00 0.00 H new ATOM 0 HH22 ARG A 80 7.625 7.257 15.123 1.00 0.00 H new ATOM 1290 N PHE A 81 -0.815 3.865 12.129 1.00 0.00 N ATOM 1291 CA PHE A 81 -1.596 3.044 11.152 1.00 0.00 C ATOM 1292 C PHE A 81 -0.707 2.667 9.970 1.00 0.00 C ATOM 1293 O PHE A 81 0.210 3.382 9.611 1.00 0.00 O ATOM 1294 CB PHE A 81 -2.781 3.858 10.638 1.00 0.00 C ATOM 1295 CG PHE A 81 -3.754 4.096 11.764 1.00 0.00 C ATOM 1296 CD1 PHE A 81 -4.706 3.122 12.080 1.00 0.00 C ATOM 1297 CD2 PHE A 81 -3.705 5.292 12.491 1.00 0.00 C ATOM 1298 CE1 PHE A 81 -5.612 3.341 13.123 1.00 0.00 C ATOM 1299 CE2 PHE A 81 -4.612 5.512 13.535 1.00 0.00 C ATOM 1300 CZ PHE A 81 -5.565 4.536 13.851 1.00 0.00 C ATOM 0 H PHE A 81 -0.328 4.663 11.722 1.00 0.00 H new ATOM 0 HA PHE A 81 -1.951 2.141 11.648 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -2.435 4.810 10.235 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -3.274 3.328 9.823 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -4.742 2.200 11.519 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -2.969 6.044 12.247 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -6.347 2.589 13.367 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -4.576 6.434 14.096 1.00 0.00 H new ATOM 0 HZ PHE A 81 -6.264 4.705 14.657 1.00 0.00 H new ATOM 1310 N GLN A 82 -0.977 1.544 9.363 1.00 0.00 N ATOM 1311 CA GLN A 82 -0.154 1.104 8.196 1.00 0.00 C ATOM 1312 C GLN A 82 -1.045 0.391 7.188 1.00 0.00 C ATOM 1313 O GLN A 82 -2.226 0.202 7.411 1.00 0.00 O ATOM 1314 CB GLN A 82 0.931 0.140 8.665 1.00 0.00 C ATOM 1315 CG GLN A 82 1.840 0.850 9.664 1.00 0.00 C ATOM 1316 CD GLN A 82 3.031 -0.050 10.007 1.00 0.00 C ATOM 1317 OE1 GLN A 82 3.369 -0.217 11.256 1.00 0.00 O flip ATOM 1318 NE2 GLN A 82 3.661 -0.607 9.129 1.00 0.00 N flip ATOM 0 H GLN A 82 -1.732 0.910 9.624 1.00 0.00 H new ATOM 0 HA GLN A 82 0.306 1.977 7.734 1.00 0.00 H new ATOM 0 HB2 GLN A 82 0.479 -0.737 9.127 1.00 0.00 H new ATOM 0 HB3 GLN A 82 1.513 -0.213 7.813 1.00 0.00 H new ATOM 0 HG2 GLN A 82 2.193 1.792 9.244 1.00 0.00 H new ATOM 0 HG3 GLN A 82 1.283 1.093 10.569 1.00 0.00 H new ATOM 0 HE21 GLN A 82 3.398 -0.478 8.152 1.00 0.00 H new ATOM 0 HE22 GLN A 82 4.452 -1.204 9.369 1.00 0.00 H new ATOM 1327 N VAL A 83 -0.478 -0.008 6.080 1.00 0.00 N ATOM 1328 CA VAL A 83 -1.264 -0.728 5.028 1.00 0.00 C ATOM 1329 C VAL A 83 -0.675 -2.125 4.832 1.00 0.00 C ATOM 1330 O VAL A 83 0.529 -2.301 4.731 1.00 0.00 O ATOM 1331 CB VAL A 83 -1.210 0.063 3.714 1.00 0.00 C ATOM 1332 CG1 VAL A 83 -2.207 1.221 3.781 1.00 0.00 C ATOM 1333 CG2 VAL A 83 0.202 0.624 3.501 1.00 0.00 C ATOM 0 H VAL A 83 0.506 0.135 5.854 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.305 -0.819 5.338 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.464 -0.598 2.885 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -2.172 1.786 2.849 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -3.213 0.827 3.929 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -1.948 1.876 4.613 1.00 0.00 H new ATOM 0 HG21 VAL A 83 0.234 1.184 2.567 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.460 1.284 4.329 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.917 -0.198 3.456 1.00 0.00 H new ATOM 1343 N GLN A 84 -1.524 -3.123 4.798 1.00 0.00 N ATOM 1344 CA GLN A 84 -1.041 -4.527 4.631 1.00 0.00 C ATOM 1345 C GLN A 84 -1.511 -5.074 3.286 1.00 0.00 C ATOM 1346 O GLN A 84 -2.691 -5.121 2.988 1.00 0.00 O ATOM 1347 CB GLN A 84 -1.598 -5.389 5.763 1.00 0.00 C ATOM 1348 CG GLN A 84 -1.083 -4.847 7.096 1.00 0.00 C ATOM 1349 CD GLN A 84 -1.626 -5.693 8.248 1.00 0.00 C ATOM 1350 OE1 GLN A 84 -2.244 -6.715 8.030 1.00 0.00 O ATOM 1351 NE2 GLN A 84 -1.421 -5.300 9.476 1.00 0.00 N ATOM 0 H GLN A 84 -2.536 -3.024 4.879 1.00 0.00 H new ATOM 0 HA GLN A 84 0.048 -4.546 4.662 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -2.688 -5.375 5.746 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -1.290 -6.427 5.633 1.00 0.00 H new ATOM 0 HG2 GLN A 84 0.007 -4.860 7.107 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -1.391 -3.809 7.219 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -0.901 -4.441 9.657 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -1.780 -5.852 10.255 1.00 0.00 H new ATOM 1360 N VAL A 85 -0.579 -5.489 2.477 1.00 0.00 N ATOM 1361 CA VAL A 85 -0.920 -6.043 1.140 1.00 0.00 C ATOM 1362 C VAL A 85 -1.126 -7.552 1.260 1.00 0.00 C ATOM 1363 O VAL A 85 -0.303 -8.266 1.815 1.00 0.00 O ATOM 1364 CB VAL A 85 0.224 -5.756 0.172 1.00 0.00 C ATOM 1365 CG1 VAL A 85 -0.194 -6.151 -1.242 1.00 0.00 C ATOM 1366 CG2 VAL A 85 0.558 -4.262 0.208 1.00 0.00 C ATOM 0 H VAL A 85 0.419 -5.467 2.689 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.834 -5.581 0.768 1.00 0.00 H new ATOM 0 HB VAL A 85 1.102 -6.332 0.464 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.623 -5.946 -1.934 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.433 -7.214 -1.267 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.071 -5.575 -1.536 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.375 -4.055 -0.483 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.320 -3.686 -0.085 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.857 -3.980 1.218 1.00 0.00 H new ATOM 1376 N ASN A 86 -2.226 -8.039 0.752 1.00 0.00 N ATOM 1377 CA ASN A 86 -2.515 -9.498 0.839 1.00 0.00 C ATOM 1378 C ASN A 86 -3.304 -9.954 -0.391 1.00 0.00 C ATOM 1379 O ASN A 86 -3.725 -9.163 -1.213 1.00 0.00 O ATOM 1380 CB ASN A 86 -3.336 -9.783 2.098 1.00 0.00 C ATOM 1381 CG ASN A 86 -4.532 -8.829 2.165 1.00 0.00 C ATOM 1382 OD1 ASN A 86 -4.341 -7.585 2.517 1.00 0.00 O flip ATOM 1383 ND2 ASN A 86 -5.650 -9.216 1.889 1.00 0.00 N flip ATOM 0 H ASN A 86 -2.940 -7.485 0.278 1.00 0.00 H new ATOM 0 HA ASN A 86 -1.572 -10.042 0.882 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -3.683 -10.816 2.090 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -2.713 -9.663 2.984 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -5.800 -10.187 1.614 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -6.438 -8.570 1.932 1.00 0.00 H new ATOM 1390 N LYS A 87 -3.494 -11.238 -0.505 1.00 0.00 N ATOM 1391 CA LYS A 87 -4.242 -11.808 -1.660 1.00 0.00 C ATOM 1392 C LYS A 87 -5.485 -10.973 -1.968 1.00 0.00 C ATOM 1393 O LYS A 87 -6.001 -10.259 -1.129 1.00 0.00 O ATOM 1394 CB LYS A 87 -4.653 -13.245 -1.327 1.00 0.00 C ATOM 1395 CG LYS A 87 -5.302 -13.900 -2.551 1.00 0.00 C ATOM 1396 CD LYS A 87 -5.603 -15.371 -2.251 1.00 0.00 C ATOM 1397 CE LYS A 87 -6.231 -16.023 -3.485 1.00 0.00 C ATOM 1398 NZ LYS A 87 -6.485 -17.465 -3.209 1.00 0.00 N ATOM 0 H LYS A 87 -3.157 -11.929 0.165 1.00 0.00 H new ATOM 0 HA LYS A 87 -3.598 -11.797 -2.540 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -3.780 -13.819 -1.017 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -5.351 -13.248 -0.490 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -6.222 -13.376 -2.811 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -4.638 -13.823 -3.412 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -4.686 -15.893 -1.977 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -6.280 -15.449 -1.400 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -7.164 -15.521 -3.740 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -5.567 -15.917 -4.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -6.912 -17.909 -4.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -5.587 -17.939 -2.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -7.134 -17.555 -2.401 1.00 0.00 H new ATOM 1412 N ASN A 88 -5.958 -11.069 -3.185 1.00 0.00 N ATOM 1413 CA ASN A 88 -7.169 -10.303 -3.608 1.00 0.00 C ATOM 1414 C ASN A 88 -6.784 -8.850 -3.916 1.00 0.00 C ATOM 1415 O ASN A 88 -7.466 -8.155 -4.647 1.00 0.00 O ATOM 1416 CB ASN A 88 -8.230 -10.334 -2.489 1.00 0.00 C ATOM 1417 CG ASN A 88 -9.631 -10.222 -3.096 1.00 0.00 C ATOM 1418 OD1 ASN A 88 -10.260 -9.185 -3.019 1.00 0.00 O ATOM 1419 ND2 ASN A 88 -10.146 -11.255 -3.702 1.00 0.00 N ATOM 0 H ASN A 88 -5.550 -11.655 -3.914 1.00 0.00 H new ATOM 0 HA ASN A 88 -7.584 -10.763 -4.505 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -8.144 -11.260 -1.920 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -8.060 -9.514 -1.792 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -11.078 -11.193 -4.112 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -9.617 -12.125 -3.766 1.00 0.00 H new ATOM 1426 N SER A 89 -5.702 -8.387 -3.359 1.00 0.00 N ATOM 1427 CA SER A 89 -5.277 -6.979 -3.608 1.00 0.00 C ATOM 1428 C SER A 89 -4.686 -6.847 -5.008 1.00 0.00 C ATOM 1429 O SER A 89 -4.085 -7.767 -5.533 1.00 0.00 O ATOM 1430 CB SER A 89 -4.234 -6.566 -2.576 1.00 0.00 C ATOM 1431 OG SER A 89 -4.698 -6.907 -1.278 1.00 0.00 O ATOM 0 H SER A 89 -5.091 -8.922 -2.741 1.00 0.00 H new ATOM 0 HA SER A 89 -6.148 -6.329 -3.526 1.00 0.00 H new ATOM 0 HB2 SER A 89 -3.287 -7.066 -2.779 1.00 0.00 H new ATOM 0 HB3 SER A 89 -4.048 -5.494 -2.638 1.00 0.00 H new ATOM 0 HG SER A 89 -4.647 -7.878 -1.157 1.00 0.00 H new ATOM 1437 N SER A 90 -4.858 -5.702 -5.614 1.00 0.00 N ATOM 1438 CA SER A 90 -4.319 -5.477 -6.992 1.00 0.00 C ATOM 1439 C SER A 90 -3.429 -4.238 -7.003 1.00 0.00 C ATOM 1440 O SER A 90 -3.617 -3.310 -6.235 1.00 0.00 O ATOM 1441 CB SER A 90 -5.482 -5.281 -7.959 1.00 0.00 C ATOM 1442 OG SER A 90 -6.158 -6.518 -8.122 1.00 0.00 O ATOM 0 H SER A 90 -5.352 -4.906 -5.212 1.00 0.00 H new ATOM 0 HA SER A 90 -3.729 -6.341 -7.298 1.00 0.00 H new ATOM 0 HB2 SER A 90 -6.167 -4.525 -7.576 1.00 0.00 H new ATOM 0 HB3 SER A 90 -5.116 -4.922 -8.921 1.00 0.00 H new ATOM 0 HG SER A 90 -6.909 -6.401 -8.741 1.00 0.00 H new ATOM 1448 N ILE A 91 -2.453 -4.230 -7.868 1.00 0.00 N ATOM 1449 CA ILE A 91 -1.512 -3.076 -7.959 1.00 0.00 C ATOM 1450 C ILE A 91 -1.347 -2.659 -9.419 1.00 0.00 C ATOM 1451 O ILE A 91 -1.185 -3.484 -10.299 1.00 0.00 O ATOM 1452 CB ILE A 91 -0.158 -3.486 -7.383 1.00 0.00 C ATOM 1453 CG1 ILE A 91 -0.328 -3.788 -5.891 1.00 0.00 C ATOM 1454 CG2 ILE A 91 0.844 -2.347 -7.575 1.00 0.00 C ATOM 1455 CD1 ILE A 91 0.964 -4.381 -5.327 1.00 0.00 C ATOM 0 H ILE A 91 -2.264 -4.986 -8.526 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.910 -2.234 -7.392 1.00 0.00 H new ATOM 0 HB ILE A 91 0.214 -4.373 -7.895 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -0.584 -2.875 -5.354 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -1.152 -4.486 -5.744 1.00 0.00 H new ATOM 0 HG21 ILE A 91 1.810 -2.639 -7.164 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.952 -2.133 -8.638 1.00 0.00 H new ATOM 0 HG23 ILE A 91 0.485 -1.456 -7.060 1.00 0.00 H new ATOM 0 HD11 ILE A 91 0.834 -4.593 -4.266 1.00 0.00 H new ATOM 0 HD12 ILE A 91 1.201 -5.305 -5.855 1.00 0.00 H new ATOM 0 HD13 ILE A 91 1.779 -3.669 -5.458 1.00 0.00 H new ATOM 1467 N GLU A 92 -1.389 -1.377 -9.677 1.00 0.00 N ATOM 1468 CA GLU A 92 -1.235 -0.873 -11.081 1.00 0.00 C ATOM 1469 C GLU A 92 -0.157 0.214 -11.111 1.00 0.00 C ATOM 1470 O GLU A 92 -0.207 1.182 -10.376 1.00 0.00 O ATOM 1471 CB GLU A 92 -2.570 -0.301 -11.570 1.00 0.00 C ATOM 1472 CG GLU A 92 -2.423 0.176 -13.018 1.00 0.00 C ATOM 1473 CD GLU A 92 -3.771 0.686 -13.533 1.00 0.00 C ATOM 1474 OE1 GLU A 92 -4.772 0.406 -12.898 1.00 0.00 O ATOM 1475 OE2 GLU A 92 -3.777 1.348 -14.559 1.00 0.00 O ATOM 0 H GLU A 92 -1.524 -0.651 -8.973 1.00 0.00 H new ATOM 0 HA GLU A 92 -0.939 -1.692 -11.736 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -3.349 -1.060 -11.504 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -2.878 0.528 -10.933 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -1.677 0.969 -13.076 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -2.069 -0.641 -13.646 1.00 0.00 H new ATOM 1482 N LYS A 93 0.819 0.046 -11.960 1.00 0.00 N ATOM 1483 CA LYS A 93 1.922 1.042 -12.061 1.00 0.00 C ATOM 1484 C LYS A 93 1.436 2.299 -12.775 1.00 0.00 C ATOM 1485 O LYS A 93 0.770 2.237 -13.791 1.00 0.00 O ATOM 1486 CB LYS A 93 3.078 0.427 -12.852 1.00 0.00 C ATOM 1487 CG LYS A 93 3.866 -0.518 -11.944 1.00 0.00 C ATOM 1488 CD LYS A 93 5.007 -1.186 -12.732 1.00 0.00 C ATOM 1489 CE LYS A 93 4.498 -2.451 -13.431 1.00 0.00 C ATOM 1490 NZ LYS A 93 4.119 -3.464 -12.406 1.00 0.00 N ATOM 0 H LYS A 93 0.900 -0.748 -12.595 1.00 0.00 H new ATOM 0 HA LYS A 93 2.254 1.311 -11.058 1.00 0.00 H new ATOM 0 HB2 LYS A 93 2.694 -0.116 -13.716 1.00 0.00 H new ATOM 0 HB3 LYS A 93 3.731 1.212 -13.233 1.00 0.00 H new ATOM 0 HG2 LYS A 93 4.274 0.035 -11.098 1.00 0.00 H new ATOM 0 HG3 LYS A 93 3.202 -1.280 -11.536 1.00 0.00 H new ATOM 0 HD2 LYS A 93 5.406 -0.490 -13.470 1.00 0.00 H new ATOM 0 HD3 LYS A 93 5.825 -1.439 -12.058 1.00 0.00 H new ATOM 0 HE2 LYS A 93 3.639 -2.213 -14.058 1.00 0.00 H new ATOM 0 HE3 LYS A 93 5.270 -2.853 -14.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 4.296 -4.418 -12.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 4.686 -3.318 -11.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 3.110 -3.364 -12.176 1.00 0.00 H new ATOM 1504 N LEU A 94 1.777 3.441 -12.243 1.00 0.00 N ATOM 1505 CA LEU A 94 1.355 4.733 -12.864 1.00 0.00 C ATOM 1506 C LEU A 94 2.548 5.385 -13.567 1.00 0.00 C ATOM 1507 O LEU A 94 3.642 5.459 -13.042 1.00 0.00 O ATOM 1508 CB LEU A 94 0.803 5.658 -11.768 1.00 0.00 C ATOM 1509 CG LEU A 94 -0.697 5.402 -11.592 1.00 0.00 C ATOM 1510 CD1 LEU A 94 -0.937 3.925 -11.266 1.00 0.00 C ATOM 1511 CD2 LEU A 94 -1.236 6.274 -10.461 1.00 0.00 C ATOM 0 H LEU A 94 2.336 3.537 -11.395 1.00 0.00 H new ATOM 0 HA LEU A 94 0.577 4.552 -13.605 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.326 5.479 -10.829 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.976 6.700 -12.036 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.215 5.652 -12.518 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.005 3.749 -11.142 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.559 3.307 -12.080 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.417 3.667 -10.343 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.303 6.091 -10.337 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.716 6.031 -9.534 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -1.074 7.324 -10.703 1.00 0.00 H new ATOM 1523 N SER A 95 2.323 5.855 -14.761 1.00 0.00 N ATOM 1524 CA SER A 95 3.407 6.511 -15.540 1.00 0.00 C ATOM 1525 C SER A 95 3.528 7.974 -15.112 1.00 0.00 C ATOM 1526 O SER A 95 4.376 8.701 -15.593 1.00 0.00 O ATOM 1527 CB SER A 95 3.069 6.444 -17.029 1.00 0.00 C ATOM 1528 OG SER A 95 1.926 7.250 -17.290 1.00 0.00 O ATOM 0 H SER A 95 1.421 5.812 -15.236 1.00 0.00 H new ATOM 0 HA SER A 95 4.351 5.999 -15.355 1.00 0.00 H new ATOM 0 HB2 SER A 95 3.916 6.791 -17.621 1.00 0.00 H new ATOM 0 HB3 SER A 95 2.875 5.413 -17.323 1.00 0.00 H new ATOM 0 HG SER A 95 1.709 7.210 -18.245 1.00 0.00 H new ATOM 1534 N GLU A 96 2.680 8.411 -14.212 1.00 0.00 N ATOM 1535 CA GLU A 96 2.733 9.832 -13.736 1.00 0.00 C ATOM 1536 C GLU A 96 3.027 9.849 -12.226 1.00 0.00 C ATOM 1537 O GLU A 96 2.123 9.831 -11.414 1.00 0.00 O ATOM 1538 CB GLU A 96 1.379 10.507 -14.006 1.00 0.00 C ATOM 1539 CG GLU A 96 0.239 9.524 -13.739 1.00 0.00 C ATOM 1540 CD GLU A 96 -1.095 10.273 -13.778 1.00 0.00 C ATOM 1541 OE1 GLU A 96 -1.412 10.824 -14.820 1.00 0.00 O ATOM 1542 OE2 GLU A 96 -1.773 10.290 -12.764 1.00 0.00 O ATOM 0 H GLU A 96 1.949 7.842 -13.784 1.00 0.00 H new ATOM 0 HA GLU A 96 3.519 10.371 -14.265 1.00 0.00 H new ATOM 0 HB2 GLU A 96 1.269 11.385 -13.370 1.00 0.00 H new ATOM 0 HB3 GLU A 96 1.336 10.854 -15.039 1.00 0.00 H new ATOM 0 HG2 GLU A 96 0.245 8.730 -14.486 1.00 0.00 H new ATOM 0 HG3 GLU A 96 0.374 9.048 -12.768 1.00 0.00 H new ATOM 1549 N PRO A 97 4.284 9.886 -11.851 1.00 0.00 N ATOM 1550 CA PRO A 97 4.698 9.916 -10.418 1.00 0.00 C ATOM 1551 C PRO A 97 4.105 11.109 -9.658 1.00 0.00 C ATOM 1552 O PRO A 97 3.857 12.164 -10.212 1.00 0.00 O ATOM 1553 CB PRO A 97 6.237 10.006 -10.467 1.00 0.00 C ATOM 1554 CG PRO A 97 6.618 9.532 -11.835 1.00 0.00 C ATOM 1555 CD PRO A 97 5.448 9.887 -12.750 1.00 0.00 C ATOM 0 HA PRO A 97 4.339 9.037 -9.883 1.00 0.00 H new ATOM 0 HB2 PRO A 97 6.577 11.028 -10.296 1.00 0.00 H new ATOM 0 HB3 PRO A 97 6.692 9.385 -9.695 1.00 0.00 H new ATOM 0 HG2 PRO A 97 7.536 10.014 -12.172 1.00 0.00 H new ATOM 0 HG3 PRO A 97 6.802 8.458 -11.838 1.00 0.00 H new ATOM 0 HD2 PRO A 97 5.589 10.860 -13.220 1.00 0.00 H new ATOM 0 HD3 PRO A 97 5.333 9.159 -13.553 1.00 0.00 H new ATOM 1563 N ILE A 98 3.875 10.931 -8.387 1.00 0.00 N ATOM 1564 CA ILE A 98 3.295 12.023 -7.558 1.00 0.00 C ATOM 1565 C ILE A 98 4.351 13.092 -7.272 1.00 0.00 C ATOM 1566 O ILE A 98 5.521 12.807 -7.093 1.00 0.00 O ATOM 1567 CB ILE A 98 2.773 11.440 -6.249 1.00 0.00 C ATOM 1568 CG1 ILE A 98 3.891 10.667 -5.545 1.00 0.00 C ATOM 1569 CG2 ILE A 98 1.603 10.499 -6.539 1.00 0.00 C ATOM 1570 CD1 ILE A 98 3.386 10.162 -4.193 1.00 0.00 C ATOM 0 H ILE A 98 4.067 10.066 -7.882 1.00 0.00 H new ATOM 0 HA ILE A 98 2.473 12.488 -8.102 1.00 0.00 H new ATOM 0 HB ILE A 98 2.435 12.251 -5.603 1.00 0.00 H new ATOM 0 HG12 ILE A 98 4.212 9.828 -6.162 1.00 0.00 H new ATOM 0 HG13 ILE A 98 4.760 11.310 -5.404 1.00 0.00 H new ATOM 0 HG21 ILE A 98 1.230 10.083 -5.603 1.00 0.00 H new ATOM 0 HG22 ILE A 98 0.805 11.053 -7.033 1.00 0.00 H new ATOM 0 HG23 ILE A 98 1.939 9.690 -7.188 1.00 0.00 H new ATOM 0 HD11 ILE A 98 4.181 9.611 -3.690 1.00 0.00 H new ATOM 0 HD12 ILE A 98 3.086 11.010 -3.577 1.00 0.00 H new ATOM 0 HD13 ILE A 98 2.530 9.505 -4.347 1.00 0.00 H new ATOM 1582 N GLU A 99 3.934 14.327 -7.238 1.00 0.00 N ATOM 1583 CA GLU A 99 4.887 15.439 -6.974 1.00 0.00 C ATOM 1584 C GLU A 99 5.156 15.548 -5.472 1.00 0.00 C ATOM 1585 O GLU A 99 4.267 15.818 -4.684 1.00 0.00 O ATOM 1586 CB GLU A 99 4.287 16.750 -7.497 1.00 0.00 C ATOM 1587 CG GLU A 99 4.278 16.724 -9.028 1.00 0.00 C ATOM 1588 CD GLU A 99 3.597 17.984 -9.569 1.00 0.00 C ATOM 1589 OE1 GLU A 99 3.196 18.811 -8.768 1.00 0.00 O ATOM 1590 OE2 GLU A 99 3.492 18.101 -10.781 1.00 0.00 O ATOM 0 H GLU A 99 2.966 14.615 -7.383 1.00 0.00 H new ATOM 0 HA GLU A 99 5.830 15.242 -7.484 1.00 0.00 H new ATOM 0 HB2 GLU A 99 3.273 16.877 -7.118 1.00 0.00 H new ATOM 0 HB3 GLU A 99 4.870 17.599 -7.139 1.00 0.00 H new ATOM 0 HG2 GLU A 99 5.299 16.662 -9.405 1.00 0.00 H new ATOM 0 HG3 GLU A 99 3.753 15.837 -9.382 1.00 0.00 H new ATOM 1597 N VAL A 100 6.387 15.347 -5.079 1.00 0.00 N ATOM 1598 CA VAL A 100 6.764 15.440 -3.636 1.00 0.00 C ATOM 1599 C VAL A 100 7.617 16.696 -3.433 1.00 0.00 C ATOM 1600 O VAL A 100 7.991 17.036 -2.329 1.00 0.00 O ATOM 1601 CB VAL A 100 7.565 14.192 -3.235 1.00 0.00 C ATOM 1602 CG1 VAL A 100 6.695 12.947 -3.413 1.00 0.00 C ATOM 1603 CG2 VAL A 100 8.813 14.063 -4.115 1.00 0.00 C ATOM 0 H VAL A 100 7.159 15.119 -5.706 1.00 0.00 H new ATOM 0 HA VAL A 100 5.869 15.499 -3.016 1.00 0.00 H new ATOM 0 HB VAL A 100 7.867 14.286 -2.192 1.00 0.00 H new ATOM 0 HG11 VAL A 100 7.264 12.062 -3.128 1.00 0.00 H new ATOM 0 HG12 VAL A 100 5.810 13.028 -2.782 1.00 0.00 H new ATOM 0 HG13 VAL A 100 6.390 12.862 -4.456 1.00 0.00 H new ATOM 0 HG21 VAL A 100 9.374 13.175 -3.823 1.00 0.00 H new ATOM 0 HG22 VAL A 100 8.514 13.976 -5.160 1.00 0.00 H new ATOM 0 HG23 VAL A 100 9.440 14.946 -3.989 1.00 0.00 H new ATOM 1613 N GLY A 101 7.919 17.391 -4.498 1.00 0.00 N ATOM 1614 CA GLY A 101 8.741 18.632 -4.376 1.00 0.00 C ATOM 1615 C GLY A 101 8.762 19.372 -5.718 1.00 0.00 C ATOM 1616 O GLY A 101 9.197 18.848 -6.727 1.00 0.00 O ATOM 0 H GLY A 101 7.632 17.153 -5.448 1.00 0.00 H new ATOM 0 HA2 GLY A 101 8.329 19.278 -3.600 1.00 0.00 H new ATOM 0 HA3 GLY A 101 9.757 18.378 -4.074 1.00 0.00 H new ATOM 1620 N LEU A 102 8.304 20.593 -5.725 1.00 0.00 N ATOM 1621 CA LEU A 102 8.290 21.398 -6.981 1.00 0.00 C ATOM 1622 C LEU A 102 9.645 22.099 -7.126 1.00 0.00 C ATOM 1623 O LEU A 102 9.883 22.846 -8.056 1.00 0.00 O ATOM 1624 CB LEU A 102 7.164 22.440 -6.896 1.00 0.00 C ATOM 1625 CG LEU A 102 5.821 21.777 -7.223 1.00 0.00 C ATOM 1626 CD1 LEU A 102 5.560 20.629 -6.243 1.00 0.00 C ATOM 1627 CD2 LEU A 102 4.694 22.809 -7.107 1.00 0.00 C ATOM 0 H LEU A 102 7.934 21.074 -4.905 1.00 0.00 H new ATOM 0 HA LEU A 102 8.117 20.756 -7.845 1.00 0.00 H new ATOM 0 HB2 LEU A 102 7.132 22.875 -5.897 1.00 0.00 H new ATOM 0 HB3 LEU A 102 7.357 23.256 -7.593 1.00 0.00 H new ATOM 0 HG LEU A 102 5.854 21.387 -8.240 1.00 0.00 H new ATOM 0 HD11 LEU A 102 4.605 20.160 -6.478 1.00 0.00 H new ATOM 0 HD12 LEU A 102 6.357 19.891 -6.327 1.00 0.00 H new ATOM 0 HD13 LEU A 102 5.532 21.019 -5.225 1.00 0.00 H new ATOM 0 HD21 LEU A 102 3.741 22.335 -7.340 1.00 0.00 H new ATOM 0 HD22 LEU A 102 4.664 23.203 -6.091 1.00 0.00 H new ATOM 0 HD23 LEU A 102 4.874 23.625 -7.807 1.00 0.00 H new ATOM 1639 N GLU A 103 10.532 21.854 -6.198 1.00 0.00 N ATOM 1640 CA GLU A 103 11.881 22.491 -6.248 1.00 0.00 C ATOM 1641 C GLU A 103 12.517 22.292 -7.627 1.00 0.00 C ATOM 1642 O GLU A 103 11.919 21.747 -8.536 1.00 0.00 O ATOM 1643 CB GLU A 103 12.781 21.867 -5.173 1.00 0.00 C ATOM 1644 CG GLU A 103 12.689 20.337 -5.242 1.00 0.00 C ATOM 1645 CD GLU A 103 13.607 19.715 -4.183 1.00 0.00 C ATOM 1646 OE1 GLU A 103 14.362 20.453 -3.572 1.00 0.00 O ATOM 1647 OE2 GLU A 103 13.537 18.509 -4.002 1.00 0.00 O ATOM 0 H GLU A 103 10.379 21.235 -5.402 1.00 0.00 H new ATOM 0 HA GLU A 103 11.772 23.560 -6.063 1.00 0.00 H new ATOM 0 HB2 GLU A 103 13.813 22.185 -5.320 1.00 0.00 H new ATOM 0 HB3 GLU A 103 12.478 22.215 -4.185 1.00 0.00 H new ATOM 0 HG2 GLU A 103 11.660 20.017 -5.078 1.00 0.00 H new ATOM 0 HG3 GLU A 103 12.976 19.990 -6.235 1.00 0.00 H new ATOM 1654 N HIS A 104 13.734 22.737 -7.780 1.00 0.00 N ATOM 1655 CA HIS A 104 14.441 22.594 -9.086 1.00 0.00 C ATOM 1656 C HIS A 104 15.267 21.302 -9.068 1.00 0.00 C ATOM 1657 O HIS A 104 16.092 21.060 -9.929 1.00 0.00 O ATOM 1658 CB HIS A 104 15.362 23.799 -9.280 1.00 0.00 C ATOM 1659 CG HIS A 104 14.530 25.047 -9.417 1.00 0.00 C ATOM 1660 ND1 HIS A 104 14.067 25.755 -8.315 1.00 0.00 N ATOM 1661 CD2 HIS A 104 14.072 25.729 -10.517 1.00 0.00 C ATOM 1662 CE1 HIS A 104 13.365 26.808 -8.775 1.00 0.00 C ATOM 1663 NE2 HIS A 104 13.337 26.839 -10.111 1.00 0.00 N ATOM 0 H HIS A 104 14.275 23.198 -7.049 1.00 0.00 H new ATOM 0 HA HIS A 104 13.723 22.549 -9.905 1.00 0.00 H new ATOM 0 HB2 HIS A 104 16.041 23.892 -8.432 1.00 0.00 H new ATOM 0 HB3 HIS A 104 15.979 23.660 -10.168 1.00 0.00 H new ATOM 0 HD2 HIS A 104 14.255 25.447 -11.543 1.00 0.00 H new ATOM 0 HE1 HIS A 104 12.883 27.538 -8.142 1.00 0.00 H new ATOM 0 HE2 HIS A 104 12.876 27.528 -10.705 1.00 0.00 H new ATOM 1671 N HIS A 105 15.037 20.467 -8.090 1.00 0.00 N ATOM 1672 CA HIS A 105 15.790 19.180 -8.000 1.00 0.00 C ATOM 1673 C HIS A 105 15.482 18.324 -9.232 1.00 0.00 C ATOM 1674 O HIS A 105 16.360 17.738 -9.838 1.00 0.00 O ATOM 1675 CB HIS A 105 15.345 18.420 -6.751 1.00 0.00 C ATOM 1676 CG HIS A 105 16.163 17.168 -6.610 1.00 0.00 C ATOM 1677 ND1 HIS A 105 15.856 16.002 -7.293 1.00 0.00 N ATOM 1678 CD2 HIS A 105 17.286 16.886 -5.873 1.00 0.00 C ATOM 1679 CE1 HIS A 105 16.777 15.082 -6.958 1.00 0.00 C ATOM 1680 NE2 HIS A 105 17.672 15.568 -6.093 1.00 0.00 N ATOM 0 H HIS A 105 14.357 20.621 -7.346 1.00 0.00 H new ATOM 0 HA HIS A 105 16.859 19.389 -7.949 1.00 0.00 H new ATOM 0 HB2 HIS A 105 15.466 19.048 -5.868 1.00 0.00 H new ATOM 0 HB3 HIS A 105 14.286 18.170 -6.822 1.00 0.00 H new ATOM 0 HD2 HIS A 105 17.793 17.582 -5.221 1.00 0.00 H new ATOM 0 HE1 HIS A 105 16.792 14.072 -7.341 1.00 0.00 H new ATOM 0 HE2 HIS A 105 18.467 15.078 -5.683 1.00 0.00 H new ATOM 1688 N HIS A 106 14.235 18.252 -9.601 1.00 0.00 N ATOM 1689 CA HIS A 106 13.847 17.440 -10.789 1.00 0.00 C ATOM 1690 C HIS A 106 14.492 18.036 -12.044 1.00 0.00 C ATOM 1691 O HIS A 106 14.971 17.329 -12.910 1.00 0.00 O ATOM 1692 CB HIS A 106 12.324 17.465 -10.933 1.00 0.00 C ATOM 1693 CG HIS A 106 11.703 16.662 -9.824 1.00 0.00 C ATOM 1694 ND1 HIS A 106 11.594 15.282 -9.884 1.00 0.00 N ATOM 1695 CD2 HIS A 106 11.160 17.027 -8.616 1.00 0.00 C ATOM 1696 CE1 HIS A 106 11.009 14.870 -8.746 1.00 0.00 C ATOM 1697 NE2 HIS A 106 10.724 15.893 -7.937 1.00 0.00 N ATOM 0 H HIS A 106 13.463 18.723 -9.129 1.00 0.00 H new ATOM 0 HA HIS A 106 14.187 16.412 -10.663 1.00 0.00 H new ATOM 0 HB2 HIS A 106 11.962 18.492 -10.900 1.00 0.00 H new ATOM 0 HB3 HIS A 106 12.033 17.056 -11.900 1.00 0.00 H new ATOM 0 HD2 HIS A 106 11.083 18.040 -8.249 1.00 0.00 H new ATOM 0 HE1 HIS A 106 10.796 13.837 -8.514 1.00 0.00 H new ATOM 0 HE2 HIS A 106 10.282 15.852 -7.019 1.00 0.00 H new ATOM 1705 N HIS A 107 14.502 19.335 -12.147 1.00 0.00 N ATOM 1706 CA HIS A 107 15.108 19.991 -13.344 1.00 0.00 C ATOM 1707 C HIS A 107 16.624 20.102 -13.173 1.00 0.00 C ATOM 1708 O HIS A 107 17.142 20.066 -12.073 1.00 0.00 O ATOM 1709 CB HIS A 107 14.522 21.390 -13.517 1.00 0.00 C ATOM 1710 CG HIS A 107 14.935 21.940 -14.855 1.00 0.00 C ATOM 1711 ND1 HIS A 107 16.081 22.704 -15.022 1.00 0.00 N ATOM 1712 CD2 HIS A 107 14.368 21.839 -16.100 1.00 0.00 C ATOM 1713 CE1 HIS A 107 16.164 23.028 -16.326 1.00 0.00 C ATOM 1714 NE2 HIS A 107 15.145 22.527 -17.027 1.00 0.00 N ATOM 0 H HIS A 107 14.116 19.975 -11.453 1.00 0.00 H new ATOM 0 HA HIS A 107 14.887 19.387 -14.224 1.00 0.00 H new ATOM 0 HB2 HIS A 107 13.435 21.353 -13.446 1.00 0.00 H new ATOM 0 HB3 HIS A 107 14.871 22.044 -12.718 1.00 0.00 H new ATOM 0 HD2 HIS A 107 13.456 21.306 -16.327 1.00 0.00 H new ATOM 0 HE1 HIS A 107 16.959 23.621 -16.753 1.00 0.00 H new ATOM 0 HE2 HIS A 107 14.973 22.627 -18.027 1.00 0.00 H new ATOM 1722 N HIS A 108 17.335 20.235 -14.261 1.00 0.00 N ATOM 1723 CA HIS A 108 18.824 20.346 -14.183 1.00 0.00 C ATOM 1724 C HIS A 108 19.329 21.367 -15.209 1.00 0.00 C ATOM 1725 O HIS A 108 18.765 21.529 -16.274 1.00 0.00 O ATOM 1726 CB HIS A 108 19.444 18.981 -14.475 1.00 0.00 C ATOM 1727 CG HIS A 108 19.100 18.027 -13.366 1.00 0.00 C ATOM 1728 ND1 HIS A 108 17.976 17.214 -13.405 1.00 0.00 N ATOM 1729 CD2 HIS A 108 19.724 17.745 -12.176 1.00 0.00 C ATOM 1730 CE1 HIS A 108 17.963 16.487 -12.272 1.00 0.00 C ATOM 1731 NE2 HIS A 108 19.006 16.772 -11.487 1.00 0.00 N ATOM 0 H HIS A 108 16.949 20.272 -15.204 1.00 0.00 H new ATOM 0 HA HIS A 108 19.109 20.676 -13.184 1.00 0.00 H new ATOM 0 HB2 HIS A 108 19.075 18.598 -15.426 1.00 0.00 H new ATOM 0 HB3 HIS A 108 20.526 19.073 -14.567 1.00 0.00 H new ATOM 0 HD2 HIS A 108 20.635 18.208 -11.827 1.00 0.00 H new ATOM 0 HE1 HIS A 108 17.202 15.761 -12.027 1.00 0.00 H new ATOM 0 HE2 HIS A 108 19.228 16.364 -10.579 1.00 0.00 H new ATOM 1739 N HIS A 109 20.393 22.052 -14.886 1.00 0.00 N ATOM 1740 CA HIS A 109 20.956 23.066 -15.824 1.00 0.00 C ATOM 1741 C HIS A 109 22.442 23.267 -15.512 1.00 0.00 C ATOM 1742 O HIS A 109 23.233 22.439 -15.930 1.00 0.00 O ATOM 1743 CB HIS A 109 20.210 24.392 -15.649 1.00 0.00 C ATOM 1744 CG HIS A 109 20.836 25.444 -16.523 1.00 0.00 C ATOM 1745 ND1 HIS A 109 20.636 25.479 -17.893 1.00 0.00 N ATOM 1746 CD2 HIS A 109 21.651 26.510 -16.235 1.00 0.00 C ATOM 1747 CE1 HIS A 109 21.314 26.535 -18.375 1.00 0.00 C ATOM 1748 NE2 HIS A 109 21.951 27.199 -17.407 1.00 0.00 N ATOM 1749 OXT HIS A 109 22.764 24.249 -14.862 1.00 0.00 O ATOM 0 H HIS A 109 20.900 21.952 -14.006 1.00 0.00 H new ATOM 0 HA HIS A 109 20.841 22.722 -16.852 1.00 0.00 H new ATOM 0 HB2 HIS A 109 19.159 24.267 -15.910 1.00 0.00 H new ATOM 0 HB3 HIS A 109 20.244 24.705 -14.605 1.00 0.00 H new ATOM 0 HD2 HIS A 109 22.006 26.774 -15.250 1.00 0.00 H new ATOM 0 HE1 HIS A 109 21.340 26.813 -19.418 1.00 0.00 H new ATOM 0 HE2 HIS A 109 22.532 28.032 -17.505 1.00 0.00 H new TER 1757 HIS A 109