USER MOD reduce.3.24.130724 H: found=0, std=0, add=1029, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1029 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 125 GLN : amide:sc= -0.942 K(o=0.32,f=1.1) USER MOD Set 1.2: A 126 SER OG : rot 75:sc= 1.26 USER MOD Set 2.1: A 75 HIS : no HD1:sc= -1.44 X(o=-3.6,f=-4.1!) USER MOD Set 2.2: A 79 GLN : amide:sc= -2.21! K(o=-3.6!,f=-1.5) USER MOD Set 3.1: A 25 ASN : amide:sc= -0.142 K(o=-3.5,f=-6.3!) USER MOD Set 3.2: A 28 MET CE :methyl 177:sc= -3.38! (180deg=-3.5!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0858 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.136 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 GLN : amide:sc= -0.45 X(o=-0.45,f=-0.45) USER MOD Single : A 14 HIS : no HE2:sc= 0.558 K(o=0.56,f=-6.6!) USER MOD Single : A 17 TYR OH : rot -67:sc= 0.00136 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= 1.09 K(o=1.1,f=0) USER MOD Single : A 30 SER OG : rot 97:sc= 1.22 USER MOD Single : A 32 MET CE :methyl -143:sc= -0.272 (180deg=-2.57!) USER MOD Single : A 36 GLN : amide:sc= -0.611! X(o=-0.61!,f=-0.25) USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 HIS : no HE2:sc= 1.06 K(o=1.1,f=-4.2!) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.0073 USER MOD Single : A 52 SER OG : rot 180:sc= -0.211 USER MOD Single : A 54 HIS : no HD1:sc= -0.299 K(o=-0.3,f=-2.4) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 153:sc= 1.23 (180deg=0.579) USER MOD Single : A 59 SER OG : rot -179:sc= -0.867 USER MOD Single : A 60 THR OG1 : rot 72:sc= 0.36 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 77:sc= 1.26 USER MOD Single : A 85 ASN : amide:sc= 0.419 X(o=0.42,f=-0.019) USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 88 LYS NZ :NH3+ -118:sc= 1.09 (180deg=0.0855) USER MOD Single : A 90 SER OG : rot 180:sc= 0.155 USER MOD Single : A 92 SER OG : rot 180:sc= 0.108 USER MOD Single : A 93 ASN : amide:sc= 0.00311 X(o=0.0031,f=-0.35) USER MOD Single : A 95 TYR OH : rot 148:sc= 1.33 USER MOD Single : A 96 THR OG1 : rot -113:sc= 0.87 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot -160:sc= -0.679 USER MOD Single : A 101 GLN : amide:sc= -0.377 K(o=-0.38,f=-6.8!) USER MOD Single : A 104 ASN : amide:sc= -0.224! C(o=-0.22!,f=-10!) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ -170:sc= 1.24 (180deg=1.02) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 GLN : amide:sc= -0.793 K(o=-0.79,f=-0.19) USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 HIS : no HD1:sc= 0.592 K(o=0.59,f=-3.2!) USER MOD Single : A 127 LYS NZ :NH3+ 137:sc= 0.26 (180deg=-1.08!) USER MOD Single : A 128 GLN : amide:sc= 0.893 K(o=0.89,f=-2.8!) USER MOD Single : A 129 GLN : amide:sc= 0.644 K(o=0.64,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -30.077 -3.653 7.449 1.00 0.00 N ATOM 2 CA GLY A 1 -28.810 -3.876 8.181 1.00 0.00 C ATOM 3 C GLY A 1 -27.847 -4.754 7.411 1.00 0.00 C ATOM 4 O GLY A 1 -27.499 -5.848 7.857 1.00 0.00 O ATOM 0 H1 GLY A 1 -30.703 -3.047 8.016 1.00 0.00 H new ATOM 0 H2 GLY A 1 -29.876 -3.189 6.540 1.00 0.00 H new ATOM 0 H3 GLY A 1 -30.543 -4.566 7.276 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -28.338 -2.915 8.386 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -29.026 -4.337 9.145 1.00 0.00 H new ATOM 10 N SER A 2 -27.404 -4.274 6.257 1.00 0.00 N ATOM 11 CA SER A 2 -26.482 -5.030 5.421 1.00 0.00 C ATOM 12 C SER A 2 -25.036 -4.711 5.793 1.00 0.00 C ATOM 13 O SER A 2 -24.202 -4.438 4.927 1.00 0.00 O ATOM 14 CB SER A 2 -26.735 -4.716 3.944 1.00 0.00 C ATOM 15 OG SER A 2 -27.675 -3.663 3.800 1.00 0.00 O ATOM 0 H SER A 2 -27.668 -3.364 5.879 1.00 0.00 H new ATOM 0 HA SER A 2 -26.651 -6.094 5.588 1.00 0.00 H new ATOM 0 HB2 SER A 2 -25.797 -4.439 3.462 1.00 0.00 H new ATOM 0 HB3 SER A 2 -27.103 -5.608 3.437 1.00 0.00 H new ATOM 0 HG SER A 2 -27.818 -3.480 2.848 1.00 0.00 H new ATOM 21 N THR A 3 -24.745 -4.757 7.089 1.00 0.00 N ATOM 22 CA THR A 3 -23.427 -4.413 7.598 1.00 0.00 C ATOM 23 C THR A 3 -22.353 -5.325 7.022 1.00 0.00 C ATOM 24 O THR A 3 -21.267 -4.869 6.655 1.00 0.00 O ATOM 25 CB THR A 3 -23.396 -4.506 9.135 1.00 0.00 C ATOM 26 OG1 THR A 3 -24.657 -5.000 9.617 1.00 0.00 O ATOM 27 CG2 THR A 3 -23.102 -3.149 9.754 1.00 0.00 C ATOM 0 H THR A 3 -25.413 -5.032 7.810 1.00 0.00 H new ATOM 0 HA THR A 3 -23.220 -3.388 7.290 1.00 0.00 H new ATOM 0 HB THR A 3 -22.601 -5.194 9.423 1.00 0.00 H new ATOM 0 HG1 THR A 3 -24.633 -5.059 10.595 1.00 0.00 H new ATOM 0 HG21 THR A 3 -23.085 -3.240 10.840 1.00 0.00 H new ATOM 0 HG22 THR A 3 -22.133 -2.792 9.405 1.00 0.00 H new ATOM 0 HG23 THR A 3 -23.877 -2.440 9.461 1.00 0.00 H new ATOM 35 N GLU A 4 -22.678 -6.607 6.908 1.00 0.00 N ATOM 36 CA GLU A 4 -21.716 -7.614 6.469 1.00 0.00 C ATOM 37 C GLU A 4 -21.360 -7.436 5.003 1.00 0.00 C ATOM 38 O GLU A 4 -20.332 -7.913 4.548 1.00 0.00 O ATOM 39 CB GLU A 4 -22.267 -9.024 6.694 1.00 0.00 C ATOM 40 CG GLU A 4 -23.275 -9.118 7.829 1.00 0.00 C ATOM 41 CD GLU A 4 -24.709 -9.021 7.349 1.00 0.00 C ATOM 42 OE1 GLU A 4 -25.126 -7.921 6.935 1.00 0.00 O ATOM 43 OE2 GLU A 4 -25.423 -10.046 7.385 1.00 0.00 O ATOM 0 H GLU A 4 -23.606 -6.977 7.115 1.00 0.00 H new ATOM 0 HA GLU A 4 -20.813 -7.482 7.065 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -22.737 -9.371 5.774 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -21.437 -9.699 6.902 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -23.136 -10.062 8.355 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -23.082 -8.321 8.547 1.00 0.00 H new ATOM 50 N LYS A 5 -22.194 -6.713 4.280 1.00 0.00 N ATOM 51 CA LYS A 5 -21.981 -6.510 2.857 1.00 0.00 C ATOM 52 C LYS A 5 -21.164 -5.259 2.658 1.00 0.00 C ATOM 53 O LYS A 5 -20.374 -5.157 1.720 1.00 0.00 O ATOM 54 CB LYS A 5 -23.315 -6.407 2.111 1.00 0.00 C ATOM 55 CG LYS A 5 -24.408 -7.296 2.681 1.00 0.00 C ATOM 56 CD LYS A 5 -25.139 -8.049 1.583 1.00 0.00 C ATOM 57 CE LYS A 5 -25.879 -9.253 2.139 1.00 0.00 C ATOM 58 NZ LYS A 5 -24.967 -10.401 2.373 1.00 0.00 N ATOM 0 H LYS A 5 -23.026 -6.256 4.653 1.00 0.00 H new ATOM 0 HA LYS A 5 -21.444 -7.366 2.450 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -23.654 -5.371 2.133 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -23.156 -6.668 1.065 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -23.972 -8.006 3.383 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -25.118 -6.688 3.242 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -25.845 -7.381 1.089 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -24.426 -8.375 0.826 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -26.367 -8.980 3.075 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -26.665 -9.549 1.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -25.509 -11.203 2.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -24.521 -10.678 1.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -24.231 -10.127 3.055 1.00 0.00 H new ATOM 72 N GLN A 6 -21.344 -4.318 3.569 1.00 0.00 N ATOM 73 CA GLN A 6 -20.555 -3.105 3.571 1.00 0.00 C ATOM 74 C GLN A 6 -19.108 -3.431 3.897 1.00 0.00 C ATOM 75 O GLN A 6 -18.187 -2.884 3.293 1.00 0.00 O ATOM 76 CB GLN A 6 -21.113 -2.108 4.585 1.00 0.00 C ATOM 77 CG GLN A 6 -22.293 -1.310 4.062 1.00 0.00 C ATOM 78 CD GLN A 6 -21.889 0.069 3.579 1.00 0.00 C ATOM 79 OE1 GLN A 6 -21.455 0.241 2.440 1.00 0.00 O ATOM 80 NE2 GLN A 6 -22.029 1.059 4.444 1.00 0.00 N ATOM 0 H GLN A 6 -22.034 -4.374 4.319 1.00 0.00 H new ATOM 0 HA GLN A 6 -20.603 -2.653 2.580 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -21.418 -2.646 5.482 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -20.321 -1.420 4.880 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -22.763 -1.855 3.244 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -23.040 -1.212 4.850 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -22.393 0.872 5.378 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -21.773 2.010 4.177 1.00 0.00 H new ATOM 89 N LEU A 7 -18.908 -4.357 4.827 1.00 0.00 N ATOM 90 CA LEU A 7 -17.550 -4.707 5.236 1.00 0.00 C ATOM 91 C LEU A 7 -16.944 -5.747 4.299 1.00 0.00 C ATOM 92 O LEU A 7 -15.729 -5.803 4.128 1.00 0.00 O ATOM 93 CB LEU A 7 -17.489 -5.189 6.696 1.00 0.00 C ATOM 94 CG LEU A 7 -18.517 -6.246 7.111 1.00 0.00 C ATOM 95 CD1 LEU A 7 -17.924 -7.643 7.002 1.00 0.00 C ATOM 96 CD2 LEU A 7 -18.994 -5.980 8.532 1.00 0.00 C ATOM 0 H LEU A 7 -19.649 -4.870 5.304 1.00 0.00 H new ATOM 0 HA LEU A 7 -16.956 -3.796 5.170 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -16.493 -5.591 6.881 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -17.609 -4.323 7.346 1.00 0.00 H new ATOM 0 HG LEU A 7 -19.371 -6.185 6.436 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -18.670 -8.379 7.301 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -17.622 -7.831 5.972 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -17.055 -7.721 7.655 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -19.725 -6.737 8.818 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -18.145 -6.019 9.214 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -19.455 -4.993 8.582 1.00 0.00 H new ATOM 108 N GLU A 8 -17.793 -6.553 3.674 1.00 0.00 N ATOM 109 CA GLU A 8 -17.321 -7.565 2.736 1.00 0.00 C ATOM 110 C GLU A 8 -16.875 -6.916 1.437 1.00 0.00 C ATOM 111 O GLU A 8 -15.897 -7.345 0.823 1.00 0.00 O ATOM 112 CB GLU A 8 -18.415 -8.592 2.447 1.00 0.00 C ATOM 113 CG GLU A 8 -18.126 -9.968 3.028 1.00 0.00 C ATOM 114 CD GLU A 8 -18.710 -11.087 2.194 1.00 0.00 C ATOM 115 OE1 GLU A 8 -19.895 -10.993 1.805 1.00 0.00 O ATOM 116 OE2 GLU A 8 -17.987 -12.072 1.925 1.00 0.00 O ATOM 0 H GLU A 8 -18.805 -6.527 3.798 1.00 0.00 H new ATOM 0 HA GLU A 8 -16.473 -8.076 3.192 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -19.360 -8.227 2.850 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -18.542 -8.682 1.368 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -17.048 -10.105 3.109 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -18.531 -10.024 4.038 1.00 0.00 H new ATOM 123 N ALA A 9 -17.578 -5.863 1.033 1.00 0.00 N ATOM 124 CA ALA A 9 -17.272 -5.186 -0.219 1.00 0.00 C ATOM 125 C ALA A 9 -15.930 -4.483 -0.120 1.00 0.00 C ATOM 126 O ALA A 9 -15.139 -4.487 -1.063 1.00 0.00 O ATOM 127 CB ALA A 9 -18.369 -4.195 -0.579 1.00 0.00 C ATOM 0 H ALA A 9 -18.359 -5.463 1.552 1.00 0.00 H new ATOM 0 HA ALA A 9 -17.218 -5.933 -1.011 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -18.119 -3.701 -1.518 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -19.316 -4.724 -0.688 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -18.459 -3.449 0.211 1.00 0.00 H new ATOM 133 N ILE A 10 -15.668 -3.910 1.043 1.00 0.00 N ATOM 134 CA ILE A 10 -14.422 -3.203 1.276 1.00 0.00 C ATOM 135 C ILE A 10 -13.306 -4.180 1.629 1.00 0.00 C ATOM 136 O ILE A 10 -12.125 -3.845 1.569 1.00 0.00 O ATOM 137 CB ILE A 10 -14.571 -2.144 2.380 1.00 0.00 C ATOM 138 CG1 ILE A 10 -14.764 -2.796 3.748 1.00 0.00 C ATOM 139 CG2 ILE A 10 -15.726 -1.209 2.062 1.00 0.00 C ATOM 140 CD1 ILE A 10 -13.579 -2.609 4.666 1.00 0.00 C ATOM 0 H ILE A 10 -16.303 -3.921 1.841 1.00 0.00 H new ATOM 0 HA ILE A 10 -14.160 -2.689 0.351 1.00 0.00 H new ATOM 0 HB ILE A 10 -13.651 -1.561 2.417 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -15.652 -2.377 4.221 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -14.947 -3.862 3.613 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -15.820 -0.464 2.852 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -15.538 -0.708 1.112 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -16.650 -1.783 1.993 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -13.778 -3.095 5.621 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -12.693 -3.052 4.211 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -13.409 -1.545 4.829 1.00 0.00 H new ATOM 152 N ASP A 11 -13.685 -5.395 1.992 1.00 0.00 N ATOM 153 CA ASP A 11 -12.700 -6.432 2.253 1.00 0.00 C ATOM 154 C ASP A 11 -12.220 -7.020 0.944 1.00 0.00 C ATOM 155 O ASP A 11 -11.097 -7.496 0.845 1.00 0.00 O ATOM 156 CB ASP A 11 -13.263 -7.529 3.150 1.00 0.00 C ATOM 157 CG ASP A 11 -12.172 -8.265 3.898 1.00 0.00 C ATOM 158 OD1 ASP A 11 -11.592 -7.682 4.844 1.00 0.00 O ATOM 159 OD2 ASP A 11 -11.882 -9.421 3.542 1.00 0.00 O ATOM 0 H ASP A 11 -14.656 -5.685 2.112 1.00 0.00 H new ATOM 0 HA ASP A 11 -11.860 -5.977 2.778 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -13.960 -7.091 3.864 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -13.829 -8.237 2.545 1.00 0.00 H new ATOM 164 N GLN A 12 -13.067 -6.952 -0.076 1.00 0.00 N ATOM 165 CA GLN A 12 -12.700 -7.417 -1.402 1.00 0.00 C ATOM 166 C GLN A 12 -11.745 -6.433 -2.075 1.00 0.00 C ATOM 167 O GLN A 12 -11.162 -6.731 -3.117 1.00 0.00 O ATOM 168 CB GLN A 12 -13.951 -7.625 -2.248 1.00 0.00 C ATOM 169 CG GLN A 12 -14.825 -8.766 -1.757 1.00 0.00 C ATOM 170 CD GLN A 12 -14.019 -9.926 -1.201 1.00 0.00 C ATOM 171 OE1 GLN A 12 -13.513 -10.768 -1.946 1.00 0.00 O ATOM 172 NE2 GLN A 12 -13.900 -9.979 0.114 1.00 0.00 N ATOM 0 H GLN A 12 -14.014 -6.578 -0.007 1.00 0.00 H new ATOM 0 HA GLN A 12 -12.183 -8.372 -1.307 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -14.535 -6.705 -2.253 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -13.656 -7.820 -3.279 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -15.499 -8.395 -0.985 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -15.446 -9.122 -2.579 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -14.334 -9.262 0.695 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -13.374 -10.737 0.548 1.00 0.00 H new ATOM 181 N LEU A 13 -11.593 -5.252 -1.483 1.00 0.00 N ATOM 182 CA LEU A 13 -10.551 -4.330 -1.911 1.00 0.00 C ATOM 183 C LEU A 13 -9.445 -4.273 -0.859 1.00 0.00 C ATOM 184 O LEU A 13 -8.411 -3.641 -1.058 1.00 0.00 O ATOM 185 CB LEU A 13 -11.105 -2.927 -2.202 1.00 0.00 C ATOM 186 CG LEU A 13 -12.072 -2.356 -1.169 1.00 0.00 C ATOM 187 CD1 LEU A 13 -11.403 -1.241 -0.382 1.00 0.00 C ATOM 188 CD2 LEU A 13 -13.330 -1.840 -1.852 1.00 0.00 C ATOM 0 H LEU A 13 -12.172 -4.915 -0.714 1.00 0.00 H new ATOM 0 HA LEU A 13 -10.135 -4.704 -2.847 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -10.264 -2.240 -2.300 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -11.611 -2.952 -3.167 1.00 0.00 H new ATOM 0 HG LEU A 13 -12.353 -3.150 -0.478 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -12.104 -0.842 0.352 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -10.525 -1.634 0.131 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -11.100 -0.446 -1.063 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -14.011 -1.436 -1.103 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -13.064 -1.056 -2.561 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -13.818 -2.658 -2.382 1.00 0.00 H new ATOM 200 N HIS A 14 -9.661 -4.956 0.262 1.00 0.00 N ATOM 201 CA HIS A 14 -8.632 -5.082 1.287 1.00 0.00 C ATOM 202 C HIS A 14 -7.409 -5.784 0.720 1.00 0.00 C ATOM 203 O HIS A 14 -6.278 -5.457 1.075 1.00 0.00 O ATOM 204 CB HIS A 14 -9.145 -5.873 2.489 1.00 0.00 C ATOM 205 CG HIS A 14 -9.412 -5.044 3.707 1.00 0.00 C ATOM 206 ND1 HIS A 14 -10.185 -5.488 4.757 1.00 0.00 N ATOM 207 CD2 HIS A 14 -8.991 -3.801 4.050 1.00 0.00 C ATOM 208 CE1 HIS A 14 -10.230 -4.564 5.694 1.00 0.00 C ATOM 209 NE2 HIS A 14 -9.515 -3.527 5.292 1.00 0.00 N ATOM 0 H HIS A 14 -10.537 -5.429 0.482 1.00 0.00 H new ATOM 0 HA HIS A 14 -8.365 -4.077 1.613 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -10.064 -6.386 2.205 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -8.415 -6.642 2.741 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -10.651 -6.394 4.802 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -8.363 -3.150 3.460 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -10.761 -4.640 6.632 1.00 0.00 H new ATOM 218 N LEU A 15 -7.635 -6.759 -0.160 1.00 0.00 N ATOM 219 CA LEU A 15 -6.526 -7.483 -0.754 1.00 0.00 C ATOM 220 C LEU A 15 -5.910 -6.690 -1.891 1.00 0.00 C ATOM 221 O LEU A 15 -4.787 -6.941 -2.293 1.00 0.00 O ATOM 222 CB LEU A 15 -6.889 -8.905 -1.226 1.00 0.00 C ATOM 223 CG LEU A 15 -8.203 -9.149 -2.001 1.00 0.00 C ATOM 224 CD1 LEU A 15 -9.416 -8.959 -1.119 1.00 0.00 C ATOM 225 CD2 LEU A 15 -8.299 -8.296 -3.255 1.00 0.00 C ATOM 0 H LEU A 15 -8.560 -7.057 -0.469 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.794 -7.605 0.044 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.071 -9.256 -1.855 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -6.910 -9.544 -0.343 1.00 0.00 H new ATOM 0 HG LEU A 15 -8.184 -10.191 -2.321 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -10.320 -9.139 -1.700 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -9.374 -9.661 -0.286 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -9.430 -7.939 -0.734 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -9.240 -8.503 -3.765 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -8.259 -7.242 -2.982 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -7.467 -8.530 -3.919 1.00 0.00 H new ATOM 237 N GLU A 16 -6.675 -5.743 -2.405 1.00 0.00 N ATOM 238 CA GLU A 16 -6.187 -4.828 -3.435 1.00 0.00 C ATOM 239 C GLU A 16 -5.069 -3.957 -2.867 1.00 0.00 C ATOM 240 O GLU A 16 -4.037 -3.752 -3.507 1.00 0.00 O ATOM 241 CB GLU A 16 -7.343 -3.969 -3.970 1.00 0.00 C ATOM 242 CG GLU A 16 -6.908 -2.650 -4.580 1.00 0.00 C ATOM 243 CD GLU A 16 -6.617 -2.756 -6.058 1.00 0.00 C ATOM 244 OE1 GLU A 16 -7.564 -2.963 -6.840 1.00 0.00 O ATOM 245 OE2 GLU A 16 -5.443 -2.614 -6.448 1.00 0.00 O ATOM 0 H GLU A 16 -7.643 -5.583 -2.127 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.782 -5.403 -4.268 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.889 -4.541 -4.721 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.038 -3.768 -3.155 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -7.689 -1.906 -4.421 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -6.017 -2.293 -4.064 1.00 0.00 H new ATOM 252 N TYR A 17 -5.270 -3.476 -1.643 1.00 0.00 N ATOM 253 CA TYR A 17 -4.224 -2.751 -0.927 1.00 0.00 C ATOM 254 C TYR A 17 -3.028 -3.688 -0.757 1.00 0.00 C ATOM 255 O TYR A 17 -1.889 -3.317 -1.029 1.00 0.00 O ATOM 256 CB TYR A 17 -4.774 -2.252 0.437 1.00 0.00 C ATOM 257 CG TYR A 17 -3.801 -1.483 1.340 1.00 0.00 C ATOM 258 CD1 TYR A 17 -2.487 -1.904 1.535 1.00 0.00 C ATOM 259 CD2 TYR A 17 -4.225 -0.356 2.043 1.00 0.00 C ATOM 260 CE1 TYR A 17 -1.634 -1.238 2.391 1.00 0.00 C ATOM 261 CE2 TYR A 17 -3.367 0.319 2.896 1.00 0.00 C ATOM 262 CZ TYR A 17 -2.079 -0.128 3.069 1.00 0.00 C ATOM 263 OH TYR A 17 -1.232 0.537 3.926 1.00 0.00 O ATOM 0 H TYR A 17 -6.145 -3.575 -1.128 1.00 0.00 H new ATOM 0 HA TYR A 17 -3.902 -1.871 -1.484 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -5.634 -1.611 0.242 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -5.140 -3.116 0.991 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -2.128 -2.773 1.003 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -5.239 -0.004 1.921 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -0.621 -1.587 2.528 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -3.710 1.196 3.425 1.00 0.00 H new ATOM 0 HH TYR A 17 -1.034 -0.033 4.698 1.00 0.00 H new ATOM 273 N ALA A 18 -3.315 -4.927 -0.365 1.00 0.00 N ATOM 274 CA ALA A 18 -2.277 -5.930 -0.136 1.00 0.00 C ATOM 275 C ALA A 18 -1.633 -6.385 -1.447 1.00 0.00 C ATOM 276 O ALA A 18 -0.538 -6.942 -1.447 1.00 0.00 O ATOM 277 CB ALA A 18 -2.859 -7.128 0.611 1.00 0.00 C ATOM 0 H ALA A 18 -4.264 -5.262 -0.198 1.00 0.00 H new ATOM 0 HA ALA A 18 -1.498 -5.471 0.473 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -2.077 -7.869 0.776 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -3.256 -6.800 1.571 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -3.660 -7.572 0.019 1.00 0.00 H new ATOM 283 N LYS A 19 -2.315 -6.146 -2.558 1.00 0.00 N ATOM 284 CA LYS A 19 -1.815 -6.537 -3.867 1.00 0.00 C ATOM 285 C LYS A 19 -0.783 -5.538 -4.366 1.00 0.00 C ATOM 286 O LYS A 19 0.161 -5.903 -5.058 1.00 0.00 O ATOM 287 CB LYS A 19 -2.964 -6.652 -4.872 1.00 0.00 C ATOM 288 CG LYS A 19 -3.087 -8.030 -5.503 1.00 0.00 C ATOM 289 CD LYS A 19 -3.330 -9.106 -4.457 1.00 0.00 C ATOM 290 CE LYS A 19 -2.287 -10.211 -4.544 1.00 0.00 C ATOM 291 NZ LYS A 19 -2.792 -11.386 -5.301 1.00 0.00 N ATOM 0 H LYS A 19 -3.222 -5.680 -2.578 1.00 0.00 H new ATOM 0 HA LYS A 19 -1.338 -7.512 -3.770 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.900 -6.407 -4.370 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.821 -5.912 -5.660 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.906 -8.029 -6.222 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.177 -8.259 -6.057 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.308 -8.660 -3.463 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.324 -9.531 -4.594 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -1.389 -9.826 -5.027 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -2.001 -10.521 -3.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -2.054 -12.118 -5.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -3.635 -11.769 -4.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -3.041 -11.095 -6.268 1.00 0.00 H new ATOM 305 N ARG A 20 -0.974 -4.278 -4.018 1.00 0.00 N ATOM 306 CA ARG A 20 -0.028 -3.239 -4.390 1.00 0.00 C ATOM 307 C ARG A 20 1.050 -3.092 -3.332 1.00 0.00 C ATOM 308 O ARG A 20 2.196 -2.766 -3.638 1.00 0.00 O ATOM 309 CB ARG A 20 -0.746 -1.908 -4.594 1.00 0.00 C ATOM 310 CG ARG A 20 -1.384 -1.771 -5.961 1.00 0.00 C ATOM 311 CD ARG A 20 -2.790 -1.209 -5.861 1.00 0.00 C ATOM 312 NE ARG A 20 -2.871 0.169 -6.346 1.00 0.00 N ATOM 313 CZ ARG A 20 -3.907 0.656 -7.032 1.00 0.00 C ATOM 314 NH1 ARG A 20 -4.947 -0.122 -7.307 1.00 0.00 N ATOM 315 NH2 ARG A 20 -3.906 1.921 -7.433 1.00 0.00 N ATOM 0 H ARG A 20 -1.775 -3.949 -3.479 1.00 0.00 H new ATOM 0 HA ARG A 20 0.443 -3.530 -5.329 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.515 -1.798 -3.830 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.035 -1.094 -4.450 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -0.773 -1.119 -6.586 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.413 -2.745 -6.450 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -3.471 -1.835 -6.437 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -3.122 -1.247 -4.823 1.00 0.00 H new ATOM 0 HE ARG A 20 -2.090 0.794 -6.148 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -4.955 -1.093 -6.994 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.738 0.251 -7.831 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -3.112 2.524 -7.217 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -4.699 2.290 -7.957 1.00 0.00 H new ATOM 329 N ALA A 21 0.681 -3.335 -2.082 1.00 0.00 N ATOM 330 CA ALA A 21 1.634 -3.278 -0.986 1.00 0.00 C ATOM 331 C ALA A 21 2.633 -4.424 -1.081 1.00 0.00 C ATOM 332 O ALA A 21 3.721 -4.355 -0.517 1.00 0.00 O ATOM 333 CB ALA A 21 0.914 -3.320 0.353 1.00 0.00 C ATOM 0 H ALA A 21 -0.271 -3.573 -1.803 1.00 0.00 H new ATOM 0 HA ALA A 21 2.178 -2.336 -1.060 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.645 -3.276 1.161 1.00 0.00 H new ATOM 0 HB2 ALA A 21 0.238 -2.469 0.429 1.00 0.00 H new ATOM 0 HB3 ALA A 21 0.343 -4.245 0.430 1.00 0.00 H new ATOM 339 N ALA A 22 2.263 -5.467 -1.820 1.00 0.00 N ATOM 340 CA ALA A 22 3.110 -6.646 -1.956 1.00 0.00 C ATOM 341 C ALA A 22 4.409 -6.320 -2.708 1.00 0.00 C ATOM 342 O ALA A 22 5.497 -6.482 -2.150 1.00 0.00 O ATOM 343 CB ALA A 22 2.347 -7.785 -2.624 1.00 0.00 C ATOM 0 H ALA A 22 1.383 -5.518 -2.333 1.00 0.00 H new ATOM 0 HA ALA A 22 3.392 -6.974 -0.956 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.998 -8.655 -2.715 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.478 -8.044 -2.020 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.019 -7.471 -3.615 1.00 0.00 H new ATOM 349 N PRO A 23 4.341 -5.834 -3.969 1.00 0.00 N ATOM 350 CA PRO A 23 5.544 -5.472 -4.719 1.00 0.00 C ATOM 351 C PRO A 23 6.232 -4.247 -4.135 1.00 0.00 C ATOM 352 O PRO A 23 7.440 -4.070 -4.291 1.00 0.00 O ATOM 353 CB PRO A 23 5.030 -5.186 -6.131 1.00 0.00 C ATOM 354 CG PRO A 23 3.598 -4.827 -5.953 1.00 0.00 C ATOM 355 CD PRO A 23 3.117 -5.613 -4.765 1.00 0.00 C ATOM 0 HA PRO A 23 6.294 -6.263 -4.691 1.00 0.00 H new ATOM 0 HB2 PRO A 23 5.586 -4.372 -6.596 1.00 0.00 H new ATOM 0 HB3 PRO A 23 5.141 -6.058 -6.776 1.00 0.00 H new ATOM 0 HG2 PRO A 23 3.482 -3.756 -5.785 1.00 0.00 H new ATOM 0 HG3 PRO A 23 3.020 -5.074 -6.844 1.00 0.00 H new ATOM 0 HD2 PRO A 23 2.366 -5.062 -4.199 1.00 0.00 H new ATOM 0 HD3 PRO A 23 2.661 -6.556 -5.067 1.00 0.00 H new ATOM 363 N PHE A 24 5.465 -3.411 -3.448 1.00 0.00 N ATOM 364 CA PHE A 24 6.026 -2.238 -2.802 1.00 0.00 C ATOM 365 C PHE A 24 6.859 -2.647 -1.593 1.00 0.00 C ATOM 366 O PHE A 24 7.940 -2.113 -1.362 1.00 0.00 O ATOM 367 CB PHE A 24 4.916 -1.269 -2.384 1.00 0.00 C ATOM 368 CG PHE A 24 5.412 0.112 -2.056 1.00 0.00 C ATOM 369 CD1 PHE A 24 6.579 0.602 -2.624 1.00 0.00 C ATOM 370 CD2 PHE A 24 4.708 0.921 -1.180 1.00 0.00 C ATOM 371 CE1 PHE A 24 7.031 1.873 -2.323 1.00 0.00 C ATOM 372 CE2 PHE A 24 5.156 2.190 -0.875 1.00 0.00 C ATOM 373 CZ PHE A 24 6.319 2.667 -1.448 1.00 0.00 C ATOM 0 H PHE A 24 4.459 -3.524 -3.326 1.00 0.00 H new ATOM 0 HA PHE A 24 6.674 -1.729 -3.515 1.00 0.00 H new ATOM 0 HB2 PHE A 24 4.183 -1.201 -3.188 1.00 0.00 H new ATOM 0 HB3 PHE A 24 4.399 -1.676 -1.515 1.00 0.00 H new ATOM 0 HD1 PHE A 24 7.140 -0.016 -3.309 1.00 0.00 H new ATOM 0 HD2 PHE A 24 3.797 0.554 -0.730 1.00 0.00 H new ATOM 0 HE1 PHE A 24 7.940 2.244 -2.772 1.00 0.00 H new ATOM 0 HE2 PHE A 24 4.598 2.810 -0.189 1.00 0.00 H new ATOM 0 HZ PHE A 24 6.670 3.660 -1.211 1.00 0.00 H new ATOM 383 N ASN A 25 6.363 -3.621 -0.840 1.00 0.00 N ATOM 384 CA ASN A 25 7.094 -4.120 0.318 1.00 0.00 C ATOM 385 C ASN A 25 8.284 -4.933 -0.141 1.00 0.00 C ATOM 386 O ASN A 25 9.308 -5.000 0.529 1.00 0.00 O ATOM 387 CB ASN A 25 6.191 -4.964 1.227 1.00 0.00 C ATOM 388 CG ASN A 25 6.422 -4.674 2.697 1.00 0.00 C ATOM 389 OD1 ASN A 25 7.366 -3.980 3.071 1.00 0.00 O ATOM 390 ND2 ASN A 25 5.556 -5.206 3.546 1.00 0.00 N ATOM 0 H ASN A 25 5.466 -4.077 -1.008 1.00 0.00 H new ATOM 0 HA ASN A 25 7.442 -3.265 0.898 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.147 -4.769 0.980 1.00 0.00 H new ATOM 0 HB3 ASN A 25 6.372 -6.021 1.035 1.00 0.00 H new ATOM 0 HD21 ASN A 25 5.660 -5.045 4.548 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.785 -5.776 3.198 1.00 0.00 H new ATOM 397 N ASN A 26 8.144 -5.517 -1.318 1.00 0.00 N ATOM 398 CA ASN A 26 9.223 -6.281 -1.931 1.00 0.00 C ATOM 399 C ASN A 26 10.349 -5.335 -2.316 1.00 0.00 C ATOM 400 O ASN A 26 11.529 -5.613 -2.102 1.00 0.00 O ATOM 401 CB ASN A 26 8.718 -7.019 -3.175 1.00 0.00 C ATOM 402 CG ASN A 26 8.385 -8.471 -2.904 1.00 0.00 C ATOM 403 OD1 ASN A 26 9.165 -9.367 -3.218 1.00 0.00 O ATOM 404 ND2 ASN A 26 7.212 -8.712 -2.345 1.00 0.00 N ATOM 0 H ASN A 26 7.289 -5.478 -1.873 1.00 0.00 H new ATOM 0 HA ASN A 26 9.588 -7.018 -1.216 1.00 0.00 H new ATOM 0 HB2 ASN A 26 7.831 -6.513 -3.556 1.00 0.00 H new ATOM 0 HB3 ASN A 26 9.476 -6.965 -3.956 1.00 0.00 H new ATOM 0 HD21 ASN A 26 6.924 -9.672 -2.158 1.00 0.00 H new ATOM 0 HD22 ASN A 26 6.595 -7.938 -2.100 1.00 0.00 H new ATOM 411 N TRP A 27 9.951 -4.197 -2.862 1.00 0.00 N ATOM 412 CA TRP A 27 10.878 -3.155 -3.266 1.00 0.00 C ATOM 413 C TRP A 27 11.529 -2.525 -2.042 1.00 0.00 C ATOM 414 O TRP A 27 12.752 -2.453 -1.947 1.00 0.00 O ATOM 415 CB TRP A 27 10.117 -2.094 -4.068 1.00 0.00 C ATOM 416 CG TRP A 27 10.972 -0.995 -4.613 1.00 0.00 C ATOM 417 CD1 TRP A 27 11.650 -0.990 -5.796 1.00 0.00 C ATOM 418 CD2 TRP A 27 11.226 0.273 -3.998 1.00 0.00 C ATOM 419 NE1 TRP A 27 12.308 0.207 -5.956 1.00 0.00 N ATOM 420 CE2 TRP A 27 12.064 0.995 -4.862 1.00 0.00 C ATOM 421 CE3 TRP A 27 10.824 0.858 -2.798 1.00 0.00 C ATOM 422 CZ2 TRP A 27 12.505 2.282 -4.565 1.00 0.00 C ATOM 423 CZ3 TRP A 27 11.263 2.135 -2.502 1.00 0.00 C ATOM 424 CH2 TRP A 27 12.096 2.834 -3.382 1.00 0.00 C ATOM 0 H TRP A 27 8.972 -3.970 -3.038 1.00 0.00 H new ATOM 0 HA TRP A 27 11.664 -3.586 -3.886 1.00 0.00 H new ATOM 0 HB2 TRP A 27 9.604 -2.582 -4.896 1.00 0.00 H new ATOM 0 HB3 TRP A 27 9.349 -1.657 -3.430 1.00 0.00 H new ATOM 0 HD1 TRP A 27 11.668 -1.806 -6.503 1.00 0.00 H new ATOM 0 HE1 TRP A 27 12.883 0.466 -6.758 1.00 0.00 H new ATOM 0 HE3 TRP A 27 10.182 0.324 -2.113 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 13.146 2.825 -5.244 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 10.958 2.600 -1.576 1.00 0.00 H new ATOM 0 HH2 TRP A 27 12.423 3.830 -3.122 1.00 0.00 H new ATOM 435 N MET A 28 10.694 -2.100 -1.099 1.00 0.00 N ATOM 436 CA MET A 28 11.162 -1.430 0.110 1.00 0.00 C ATOM 437 C MET A 28 12.169 -2.288 0.865 1.00 0.00 C ATOM 438 O MET A 28 13.211 -1.794 1.295 1.00 0.00 O ATOM 439 CB MET A 28 9.986 -1.099 1.028 1.00 0.00 C ATOM 440 CG MET A 28 9.376 0.269 0.772 1.00 0.00 C ATOM 441 SD MET A 28 8.222 0.764 2.068 1.00 0.00 S ATOM 442 CE MET A 28 7.180 -0.690 2.164 1.00 0.00 C ATOM 0 H MET A 28 9.681 -2.209 -1.150 1.00 0.00 H new ATOM 0 HA MET A 28 11.654 -0.507 -0.197 1.00 0.00 H new ATOM 0 HB2 MET A 28 9.215 -1.859 0.904 1.00 0.00 H new ATOM 0 HB3 MET A 28 10.320 -1.150 2.064 1.00 0.00 H new ATOM 0 HG2 MET A 28 10.172 1.010 0.696 1.00 0.00 H new ATOM 0 HG3 MET A 28 8.858 0.259 -0.187 1.00 0.00 H new ATOM 0 HE1 MET A 28 6.447 -0.560 2.960 1.00 0.00 H new ATOM 0 HE2 MET A 28 6.663 -0.831 1.215 1.00 0.00 H new ATOM 0 HE3 MET A 28 7.795 -1.565 2.375 1.00 0.00 H new ATOM 452 N GLU A 29 11.862 -3.572 1.006 1.00 0.00 N ATOM 453 CA GLU A 29 12.715 -4.483 1.757 1.00 0.00 C ATOM 454 C GLU A 29 14.058 -4.665 1.066 1.00 0.00 C ATOM 455 O GLU A 29 15.105 -4.617 1.713 1.00 0.00 O ATOM 456 CB GLU A 29 12.033 -5.842 1.933 1.00 0.00 C ATOM 457 CG GLU A 29 11.059 -5.890 3.100 1.00 0.00 C ATOM 458 CD GLU A 29 11.671 -5.409 4.399 1.00 0.00 C ATOM 459 OE1 GLU A 29 12.708 -5.964 4.820 1.00 0.00 O ATOM 460 OE2 GLU A 29 11.109 -4.480 5.014 1.00 0.00 O ATOM 0 H GLU A 29 11.028 -4.005 0.610 1.00 0.00 H new ATOM 0 HA GLU A 29 12.886 -4.044 2.740 1.00 0.00 H new ATOM 0 HB2 GLU A 29 11.500 -6.093 1.016 1.00 0.00 H new ATOM 0 HB3 GLU A 29 12.797 -6.606 2.077 1.00 0.00 H new ATOM 0 HG2 GLU A 29 10.189 -5.277 2.866 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.704 -6.912 3.228 1.00 0.00 H new ATOM 467 N SER A 30 14.033 -4.848 -0.249 1.00 0.00 N ATOM 468 CA SER A 30 15.256 -5.076 -0.997 1.00 0.00 C ATOM 469 C SER A 30 16.091 -3.800 -1.069 1.00 0.00 C ATOM 470 O SER A 30 17.316 -3.841 -0.941 1.00 0.00 O ATOM 471 CB SER A 30 14.928 -5.588 -2.399 1.00 0.00 C ATOM 472 OG SER A 30 14.004 -6.664 -2.336 1.00 0.00 O ATOM 0 H SER A 30 13.183 -4.843 -0.813 1.00 0.00 H new ATOM 0 HA SER A 30 15.844 -5.834 -0.479 1.00 0.00 H new ATOM 0 HB2 SER A 30 14.511 -4.779 -2.999 1.00 0.00 H new ATOM 0 HB3 SER A 30 15.842 -5.915 -2.895 1.00 0.00 H new ATOM 0 HG SER A 30 13.097 -6.326 -2.489 1.00 0.00 H new ATOM 478 N ALA A 31 15.423 -2.666 -1.242 1.00 0.00 N ATOM 479 CA ALA A 31 16.110 -1.388 -1.354 1.00 0.00 C ATOM 480 C ALA A 31 16.717 -0.978 -0.020 1.00 0.00 C ATOM 481 O ALA A 31 17.872 -0.566 0.041 1.00 0.00 O ATOM 482 CB ALA A 31 15.164 -0.313 -1.861 1.00 0.00 C ATOM 0 H ALA A 31 14.407 -2.607 -1.308 1.00 0.00 H new ATOM 0 HA ALA A 31 16.919 -1.503 -2.075 1.00 0.00 H new ATOM 0 HB1 ALA A 31 15.697 0.634 -1.937 1.00 0.00 H new ATOM 0 HB2 ALA A 31 14.784 -0.596 -2.843 1.00 0.00 H new ATOM 0 HB3 ALA A 31 14.330 -0.205 -1.167 1.00 0.00 H new ATOM 488 N MET A 32 15.938 -1.107 1.048 1.00 0.00 N ATOM 489 CA MET A 32 16.412 -0.771 2.384 1.00 0.00 C ATOM 490 C MET A 32 17.583 -1.664 2.770 1.00 0.00 C ATOM 491 O MET A 32 18.513 -1.232 3.446 1.00 0.00 O ATOM 492 CB MET A 32 15.287 -0.932 3.404 1.00 0.00 C ATOM 493 CG MET A 32 15.279 0.141 4.476 1.00 0.00 C ATOM 494 SD MET A 32 14.066 -0.175 5.771 1.00 0.00 S ATOM 495 CE MET A 32 12.548 -0.188 4.821 1.00 0.00 C ATOM 0 H MET A 32 14.975 -1.442 1.014 1.00 0.00 H new ATOM 0 HA MET A 32 16.742 0.268 2.379 1.00 0.00 H new ATOM 0 HB2 MET A 32 14.330 -0.919 2.882 1.00 0.00 H new ATOM 0 HB3 MET A 32 15.377 -1.908 3.880 1.00 0.00 H new ATOM 0 HG2 MET A 32 16.271 0.210 4.923 1.00 0.00 H new ATOM 0 HG3 MET A 32 15.069 1.107 4.016 1.00 0.00 H new ATOM 0 HE1 MET A 32 11.750 0.273 5.404 1.00 0.00 H new ATOM 0 HE2 MET A 32 12.692 0.372 3.897 1.00 0.00 H new ATOM 0 HE3 MET A 32 12.276 -1.216 4.583 1.00 0.00 H new ATOM 505 N GLU A 33 17.529 -2.905 2.317 1.00 0.00 N ATOM 506 CA GLU A 33 18.562 -3.881 2.618 1.00 0.00 C ATOM 507 C GLU A 33 19.835 -3.561 1.846 1.00 0.00 C ATOM 508 O GLU A 33 20.929 -3.561 2.410 1.00 0.00 O ATOM 509 CB GLU A 33 18.067 -5.287 2.275 1.00 0.00 C ATOM 510 CG GLU A 33 19.167 -6.330 2.207 1.00 0.00 C ATOM 511 CD GLU A 33 19.365 -7.065 3.514 1.00 0.00 C ATOM 512 OE1 GLU A 33 18.771 -6.659 4.533 1.00 0.00 O ATOM 513 OE2 GLU A 33 20.122 -8.058 3.525 1.00 0.00 O ATOM 0 H GLU A 33 16.773 -3.263 1.734 1.00 0.00 H new ATOM 0 HA GLU A 33 18.788 -3.839 3.684 1.00 0.00 H new ATOM 0 HB2 GLU A 33 17.334 -5.595 3.021 1.00 0.00 H new ATOM 0 HB3 GLU A 33 17.551 -5.255 1.315 1.00 0.00 H new ATOM 0 HG2 GLU A 33 18.930 -7.050 1.424 1.00 0.00 H new ATOM 0 HG3 GLU A 33 20.102 -5.847 1.923 1.00 0.00 H new ATOM 520 N ASP A 34 19.687 -3.273 0.557 1.00 0.00 N ATOM 521 CA ASP A 34 20.835 -2.960 -0.289 1.00 0.00 C ATOM 522 C ASP A 34 21.471 -1.650 0.157 1.00 0.00 C ATOM 523 O ASP A 34 22.694 -1.519 0.193 1.00 0.00 O ATOM 524 CB ASP A 34 20.417 -2.871 -1.762 1.00 0.00 C ATOM 525 CG ASP A 34 21.601 -2.790 -2.713 1.00 0.00 C ATOM 526 OD1 ASP A 34 22.752 -3.004 -2.268 1.00 0.00 O ATOM 527 OD2 ASP A 34 21.398 -2.499 -3.909 1.00 0.00 O ATOM 0 H ASP A 34 18.788 -3.250 0.076 1.00 0.00 H new ATOM 0 HA ASP A 34 21.566 -3.762 -0.189 1.00 0.00 H new ATOM 0 HB2 ASP A 34 19.813 -3.742 -2.016 1.00 0.00 H new ATOM 0 HB3 ASP A 34 19.785 -1.994 -1.902 1.00 0.00 H new ATOM 532 N LEU A 35 20.631 -0.694 0.532 1.00 0.00 N ATOM 533 CA LEU A 35 21.099 0.628 0.939 1.00 0.00 C ATOM 534 C LEU A 35 21.774 0.569 2.309 1.00 0.00 C ATOM 535 O LEU A 35 22.520 1.470 2.685 1.00 0.00 O ATOM 536 CB LEU A 35 19.928 1.614 0.982 1.00 0.00 C ATOM 537 CG LEU A 35 19.813 2.564 -0.216 1.00 0.00 C ATOM 538 CD1 LEU A 35 19.815 1.797 -1.530 1.00 0.00 C ATOM 539 CD2 LEU A 35 18.553 3.403 -0.108 1.00 0.00 C ATOM 0 H LEU A 35 19.618 -0.809 0.563 1.00 0.00 H new ATOM 0 HA LEU A 35 21.830 0.969 0.206 1.00 0.00 H new ATOM 0 HB2 LEU A 35 19.001 1.046 1.061 1.00 0.00 H new ATOM 0 HB3 LEU A 35 20.014 2.212 1.889 1.00 0.00 H new ATOM 0 HG LEU A 35 20.682 3.222 -0.203 1.00 0.00 H new ATOM 0 HD11 LEU A 35 19.732 2.498 -2.361 1.00 0.00 H new ATOM 0 HD12 LEU A 35 20.744 1.234 -1.621 1.00 0.00 H new ATOM 0 HD13 LEU A 35 18.970 1.109 -1.551 1.00 0.00 H new ATOM 0 HD21 LEU A 35 18.487 4.072 -0.966 1.00 0.00 H new ATOM 0 HD22 LEU A 35 17.681 2.749 -0.089 1.00 0.00 H new ATOM 0 HD23 LEU A 35 18.585 3.991 0.809 1.00 0.00 H new ATOM 551 N GLN A 36 21.500 -0.504 3.041 1.00 0.00 N ATOM 552 CA GLN A 36 22.058 -0.695 4.372 1.00 0.00 C ATOM 553 C GLN A 36 23.358 -1.488 4.322 1.00 0.00 C ATOM 554 O GLN A 36 24.297 -1.211 5.069 1.00 0.00 O ATOM 555 CB GLN A 36 21.062 -1.433 5.254 1.00 0.00 C ATOM 556 CG GLN A 36 20.881 -0.796 6.615 1.00 0.00 C ATOM 557 CD GLN A 36 19.503 -1.033 7.183 1.00 0.00 C ATOM 558 OE1 GLN A 36 19.346 -1.301 8.375 1.00 0.00 O ATOM 559 NE2 GLN A 36 18.496 -0.948 6.333 1.00 0.00 N ATOM 0 H GLN A 36 20.890 -1.260 2.731 1.00 0.00 H new ATOM 0 HA GLN A 36 22.266 0.291 4.786 1.00 0.00 H new ATOM 0 HB2 GLN A 36 20.098 -1.472 4.747 1.00 0.00 H new ATOM 0 HB3 GLN A 36 21.395 -2.463 5.384 1.00 0.00 H new ATOM 0 HG2 GLN A 36 21.628 -1.195 7.302 1.00 0.00 H new ATOM 0 HG3 GLN A 36 21.060 0.276 6.538 1.00 0.00 H new ATOM 0 HE21 GLN A 36 18.673 -0.723 5.354 1.00 0.00 H new ATOM 0 HE22 GLN A 36 17.542 -1.107 6.656 1.00 0.00 H new ATOM 568 N ASP A 37 23.396 -2.487 3.451 1.00 0.00 N ATOM 569 CA ASP A 37 24.545 -3.381 3.366 1.00 0.00 C ATOM 570 C ASP A 37 25.642 -2.783 2.497 1.00 0.00 C ATOM 571 O ASP A 37 25.399 -1.867 1.710 1.00 0.00 O ATOM 572 CB ASP A 37 24.129 -4.745 2.814 1.00 0.00 C ATOM 573 CG ASP A 37 24.872 -5.890 3.479 1.00 0.00 C ATOM 574 OD1 ASP A 37 26.044 -5.698 3.876 1.00 0.00 O ATOM 575 OD2 ASP A 37 24.288 -6.986 3.611 1.00 0.00 O ATOM 0 H ASP A 37 22.646 -2.700 2.793 1.00 0.00 H new ATOM 0 HA ASP A 37 24.937 -3.513 4.375 1.00 0.00 H new ATOM 0 HB2 ASP A 37 23.057 -4.880 2.957 1.00 0.00 H new ATOM 0 HB3 ASP A 37 24.314 -4.771 1.740 1.00 0.00 H new ATOM 580 N MET A 38 26.841 -3.322 2.631 1.00 0.00 N ATOM 581 CA MET A 38 27.997 -2.801 1.925 1.00 0.00 C ATOM 582 C MET A 38 28.088 -3.380 0.525 1.00 0.00 C ATOM 583 O MET A 38 28.214 -4.593 0.340 1.00 0.00 O ATOM 584 CB MET A 38 29.280 -3.101 2.700 1.00 0.00 C ATOM 585 CG MET A 38 30.126 -1.867 2.978 1.00 0.00 C ATOM 586 SD MET A 38 30.244 -0.767 1.553 1.00 0.00 S ATOM 587 CE MET A 38 30.475 0.812 2.367 1.00 0.00 C ATOM 0 H MET A 38 27.039 -4.126 3.227 1.00 0.00 H new ATOM 0 HA MET A 38 27.879 -1.721 1.843 1.00 0.00 H new ATOM 0 HB2 MET A 38 29.020 -3.574 3.647 1.00 0.00 H new ATOM 0 HB3 MET A 38 29.875 -3.820 2.137 1.00 0.00 H new ATOM 0 HG2 MET A 38 29.699 -1.321 3.819 1.00 0.00 H new ATOM 0 HG3 MET A 38 31.127 -2.178 3.276 1.00 0.00 H new ATOM 0 HE1 MET A 38 30.565 1.598 1.617 1.00 0.00 H new ATOM 0 HE2 MET A 38 29.619 1.019 3.009 1.00 0.00 H new ATOM 0 HE3 MET A 38 31.382 0.781 2.971 1.00 0.00 H new ATOM 597 N PHE A 39 28.017 -2.498 -0.454 1.00 0.00 N ATOM 598 CA PHE A 39 28.157 -2.884 -1.843 1.00 0.00 C ATOM 599 C PHE A 39 29.597 -3.287 -2.123 1.00 0.00 C ATOM 600 O PHE A 39 30.533 -2.743 -1.536 1.00 0.00 O ATOM 601 CB PHE A 39 27.730 -1.738 -2.773 1.00 0.00 C ATOM 602 CG PHE A 39 28.332 -0.400 -2.427 1.00 0.00 C ATOM 603 CD1 PHE A 39 27.705 0.444 -1.524 1.00 0.00 C ATOM 604 CD2 PHE A 39 29.524 0.014 -3.007 1.00 0.00 C ATOM 605 CE1 PHE A 39 28.251 1.674 -1.204 1.00 0.00 C ATOM 606 CE2 PHE A 39 30.074 1.241 -2.690 1.00 0.00 C ATOM 607 CZ PHE A 39 29.437 2.071 -1.787 1.00 0.00 C ATOM 0 H PHE A 39 27.862 -1.500 -0.309 1.00 0.00 H new ATOM 0 HA PHE A 39 27.505 -3.736 -2.036 1.00 0.00 H new ATOM 0 HB2 PHE A 39 28.006 -1.994 -3.796 1.00 0.00 H new ATOM 0 HB3 PHE A 39 26.644 -1.652 -2.748 1.00 0.00 H new ATOM 0 HD1 PHE A 39 26.777 0.137 -1.064 1.00 0.00 H new ATOM 0 HD2 PHE A 39 30.026 -0.630 -3.713 1.00 0.00 H new ATOM 0 HE1 PHE A 39 27.750 2.322 -0.500 1.00 0.00 H new ATOM 0 HE2 PHE A 39 31.002 1.552 -3.148 1.00 0.00 H new ATOM 0 HZ PHE A 39 29.867 3.030 -1.538 1.00 0.00 H new ATOM 617 N ILE A 40 29.769 -4.264 -2.986 1.00 0.00 N ATOM 618 CA ILE A 40 31.097 -4.694 -3.379 1.00 0.00 C ATOM 619 C ILE A 40 31.383 -4.298 -4.824 1.00 0.00 C ATOM 620 O ILE A 40 30.554 -4.484 -5.717 1.00 0.00 O ATOM 621 CB ILE A 40 31.298 -6.215 -3.180 1.00 0.00 C ATOM 622 CG1 ILE A 40 32.790 -6.562 -3.192 1.00 0.00 C ATOM 623 CG2 ILE A 40 30.562 -7.005 -4.249 1.00 0.00 C ATOM 624 CD1 ILE A 40 33.570 -5.913 -2.068 1.00 0.00 C ATOM 0 H ILE A 40 29.007 -4.777 -3.430 1.00 0.00 H new ATOM 0 HA ILE A 40 31.808 -4.186 -2.728 1.00 0.00 H new ATOM 0 HB ILE A 40 30.883 -6.488 -2.210 1.00 0.00 H new ATOM 0 HG12 ILE A 40 32.904 -7.644 -3.125 1.00 0.00 H new ATOM 0 HG13 ILE A 40 33.219 -6.255 -4.146 1.00 0.00 H new ATOM 0 HG21 ILE A 40 30.719 -8.071 -4.087 1.00 0.00 H new ATOM 0 HG22 ILE A 40 29.496 -6.783 -4.196 1.00 0.00 H new ATOM 0 HG23 ILE A 40 30.942 -6.728 -5.232 1.00 0.00 H new ATOM 0 HD11 ILE A 40 34.619 -6.202 -2.138 1.00 0.00 H new ATOM 0 HD12 ILE A 40 33.487 -4.829 -2.146 1.00 0.00 H new ATOM 0 HD13 ILE A 40 33.167 -6.240 -1.109 1.00 0.00 H new ATOM 636 N VAL A 41 32.537 -3.697 -5.032 1.00 0.00 N ATOM 637 CA VAL A 41 32.966 -3.284 -6.355 1.00 0.00 C ATOM 638 C VAL A 41 34.356 -3.838 -6.639 1.00 0.00 C ATOM 639 O VAL A 41 35.068 -4.236 -5.715 1.00 0.00 O ATOM 640 CB VAL A 41 32.978 -1.744 -6.498 1.00 0.00 C ATOM 641 CG1 VAL A 41 31.600 -1.166 -6.215 1.00 0.00 C ATOM 642 CG2 VAL A 41 34.019 -1.119 -5.579 1.00 0.00 C ATOM 0 H VAL A 41 33.204 -3.481 -4.291 1.00 0.00 H new ATOM 0 HA VAL A 41 32.253 -3.680 -7.078 1.00 0.00 H new ATOM 0 HB VAL A 41 33.247 -1.505 -7.527 1.00 0.00 H new ATOM 0 HG11 VAL A 41 31.631 -0.082 -6.321 1.00 0.00 H new ATOM 0 HG12 VAL A 41 30.880 -1.579 -6.921 1.00 0.00 H new ATOM 0 HG13 VAL A 41 31.300 -1.422 -5.199 1.00 0.00 H new ATOM 0 HG21 VAL A 41 34.007 -0.036 -5.699 1.00 0.00 H new ATOM 0 HG22 VAL A 41 33.789 -1.372 -4.544 1.00 0.00 H new ATOM 0 HG23 VAL A 41 35.007 -1.501 -5.835 1.00 0.00 H new ATOM 652 N HIS A 42 34.734 -3.892 -7.905 1.00 0.00 N ATOM 653 CA HIS A 42 36.072 -4.336 -8.284 1.00 0.00 C ATOM 654 C HIS A 42 36.771 -3.249 -9.088 1.00 0.00 C ATOM 655 O HIS A 42 37.962 -2.991 -8.908 1.00 0.00 O ATOM 656 CB HIS A 42 36.014 -5.631 -9.109 1.00 0.00 C ATOM 657 CG HIS A 42 35.105 -6.681 -8.545 1.00 0.00 C ATOM 658 ND1 HIS A 42 33.809 -6.875 -8.980 1.00 0.00 N ATOM 659 CD2 HIS A 42 35.306 -7.586 -7.560 1.00 0.00 C ATOM 660 CE1 HIS A 42 33.256 -7.854 -8.286 1.00 0.00 C ATOM 661 NE2 HIS A 42 34.144 -8.302 -7.420 1.00 0.00 N ATOM 0 H HIS A 42 34.136 -3.635 -8.690 1.00 0.00 H new ATOM 0 HA HIS A 42 36.633 -4.535 -7.371 1.00 0.00 H new ATOM 0 HB2 HIS A 42 35.687 -5.389 -10.120 1.00 0.00 H new ATOM 0 HB3 HIS A 42 37.020 -6.043 -9.189 1.00 0.00 H new ATOM 0 HD1 HIS A 42 33.350 -6.345 -9.721 1.00 0.00 H new ATOM 0 HD2 HIS A 42 36.213 -7.720 -6.989 1.00 0.00 H new ATOM 0 HE1 HIS A 42 32.249 -8.224 -8.407 1.00 0.00 H new ATOM 670 N THR A 43 36.015 -2.615 -9.974 1.00 0.00 N ATOM 671 CA THR A 43 36.555 -1.577 -10.838 1.00 0.00 C ATOM 672 C THR A 43 35.752 -0.284 -10.715 1.00 0.00 C ATOM 673 O THR A 43 34.640 -0.281 -10.178 1.00 0.00 O ATOM 674 CB THR A 43 36.544 -2.040 -12.306 1.00 0.00 C ATOM 675 OG1 THR A 43 35.335 -2.767 -12.580 1.00 0.00 O ATOM 676 CG2 THR A 43 37.748 -2.919 -12.603 1.00 0.00 C ATOM 0 H THR A 43 35.022 -2.803 -10.113 1.00 0.00 H new ATOM 0 HA THR A 43 37.581 -1.387 -10.521 1.00 0.00 H new ATOM 0 HB THR A 43 36.591 -1.158 -12.945 1.00 0.00 H new ATOM 0 HG1 THR A 43 35.333 -3.058 -13.516 1.00 0.00 H new ATOM 0 HG21 THR A 43 37.720 -3.235 -13.646 1.00 0.00 H new ATOM 0 HG22 THR A 43 38.663 -2.357 -12.419 1.00 0.00 H new ATOM 0 HG23 THR A 43 37.726 -3.797 -11.958 1.00 0.00 H new ATOM 684 N ILE A 44 36.315 0.810 -11.227 1.00 0.00 N ATOM 685 CA ILE A 44 35.635 2.103 -11.217 1.00 0.00 C ATOM 686 C ILE A 44 34.389 2.051 -12.096 1.00 0.00 C ATOM 687 O ILE A 44 33.430 2.789 -11.881 1.00 0.00 O ATOM 688 CB ILE A 44 36.573 3.253 -11.691 1.00 0.00 C ATOM 689 CG1 ILE A 44 36.464 3.483 -13.206 1.00 0.00 C ATOM 690 CG2 ILE A 44 38.014 2.934 -11.321 1.00 0.00 C ATOM 691 CD1 ILE A 44 35.812 4.795 -13.587 1.00 0.00 C ATOM 0 H ILE A 44 37.241 0.826 -11.654 1.00 0.00 H new ATOM 0 HA ILE A 44 35.344 2.313 -10.188 1.00 0.00 H new ATOM 0 HB ILE A 44 36.259 4.168 -11.188 1.00 0.00 H new ATOM 0 HG12 ILE A 44 37.463 3.446 -13.641 1.00 0.00 H new ATOM 0 HG13 ILE A 44 35.894 2.665 -13.647 1.00 0.00 H new ATOM 0 HG21 ILE A 44 38.663 3.743 -11.656 1.00 0.00 H new ATOM 0 HG22 ILE A 44 38.097 2.826 -10.239 1.00 0.00 H new ATOM 0 HG23 ILE A 44 38.316 2.004 -11.802 1.00 0.00 H new ATOM 0 HD11 ILE A 44 35.774 4.880 -14.673 1.00 0.00 H new ATOM 0 HD12 ILE A 44 34.800 4.829 -13.184 1.00 0.00 H new ATOM 0 HD13 ILE A 44 36.393 5.622 -13.178 1.00 0.00 H new ATOM 703 N GLU A 45 34.413 1.161 -13.081 1.00 0.00 N ATOM 704 CA GLU A 45 33.293 0.981 -13.977 1.00 0.00 C ATOM 705 C GLU A 45 32.056 0.500 -13.218 1.00 0.00 C ATOM 706 O GLU A 45 30.953 1.002 -13.432 1.00 0.00 O ATOM 707 CB GLU A 45 33.676 -0.006 -15.072 1.00 0.00 C ATOM 708 CG GLU A 45 34.207 0.672 -16.324 1.00 0.00 C ATOM 709 CD GLU A 45 34.495 -0.299 -17.447 1.00 0.00 C ATOM 710 OE1 GLU A 45 33.531 -0.832 -18.041 1.00 0.00 O ATOM 711 OE2 GLU A 45 35.685 -0.534 -17.745 1.00 0.00 O ATOM 0 H GLU A 45 35.207 0.551 -13.275 1.00 0.00 H new ATOM 0 HA GLU A 45 33.044 1.940 -14.432 1.00 0.00 H new ATOM 0 HB2 GLU A 45 34.432 -0.691 -14.688 1.00 0.00 H new ATOM 0 HB3 GLU A 45 32.805 -0.607 -15.333 1.00 0.00 H new ATOM 0 HG2 GLU A 45 33.481 1.409 -16.666 1.00 0.00 H new ATOM 0 HG3 GLU A 45 35.120 1.214 -16.077 1.00 0.00 H new ATOM 718 N GLU A 46 32.240 -0.462 -12.322 1.00 0.00 N ATOM 719 CA GLU A 46 31.139 -0.935 -11.490 1.00 0.00 C ATOM 720 C GLU A 46 30.778 0.111 -10.448 1.00 0.00 C ATOM 721 O GLU A 46 29.617 0.253 -10.077 1.00 0.00 O ATOM 722 CB GLU A 46 31.501 -2.242 -10.794 1.00 0.00 C ATOM 723 CG GLU A 46 31.996 -3.322 -11.733 1.00 0.00 C ATOM 724 CD GLU A 46 32.800 -4.369 -11.008 1.00 0.00 C ATOM 725 OE1 GLU A 46 33.913 -4.044 -10.566 1.00 0.00 O ATOM 726 OE2 GLU A 46 32.318 -5.513 -10.857 1.00 0.00 O ATOM 0 H GLU A 46 33.132 -0.927 -12.153 1.00 0.00 H new ATOM 0 HA GLU A 46 30.282 -1.111 -12.140 1.00 0.00 H new ATOM 0 HB2 GLU A 46 32.270 -2.043 -10.047 1.00 0.00 H new ATOM 0 HB3 GLU A 46 30.626 -2.612 -10.260 1.00 0.00 H new ATOM 0 HG2 GLU A 46 31.145 -3.793 -12.225 1.00 0.00 H new ATOM 0 HG3 GLU A 46 32.607 -2.871 -12.515 1.00 0.00 H new ATOM 733 N ILE A 47 31.781 0.847 -9.995 1.00 0.00 N ATOM 734 CA ILE A 47 31.569 1.899 -9.020 1.00 0.00 C ATOM 735 C ILE A 47 30.678 2.990 -9.615 1.00 0.00 C ATOM 736 O ILE A 47 29.838 3.556 -8.925 1.00 0.00 O ATOM 737 CB ILE A 47 32.919 2.484 -8.508 1.00 0.00 C ATOM 738 CG1 ILE A 47 33.005 2.356 -6.986 1.00 0.00 C ATOM 739 CG2 ILE A 47 33.120 3.935 -8.924 1.00 0.00 C ATOM 740 CD1 ILE A 47 31.764 2.836 -6.260 1.00 0.00 C ATOM 0 H ILE A 47 32.751 0.733 -10.289 1.00 0.00 H new ATOM 0 HA ILE A 47 31.062 1.470 -8.156 1.00 0.00 H new ATOM 0 HB ILE A 47 33.717 1.903 -8.970 1.00 0.00 H new ATOM 0 HG12 ILE A 47 33.184 1.312 -6.728 1.00 0.00 H new ATOM 0 HG13 ILE A 47 33.865 2.924 -6.631 1.00 0.00 H new ATOM 0 HG21 ILE A 47 34.076 4.294 -8.542 1.00 0.00 H new ATOM 0 HG22 ILE A 47 33.115 4.006 -10.012 1.00 0.00 H new ATOM 0 HG23 ILE A 47 32.314 4.545 -8.517 1.00 0.00 H new ATOM 0 HD11 ILE A 47 31.901 2.714 -5.186 1.00 0.00 H new ATOM 0 HD12 ILE A 47 31.594 3.889 -6.487 1.00 0.00 H new ATOM 0 HD13 ILE A 47 30.903 2.252 -6.585 1.00 0.00 H new ATOM 752 N GLU A 48 30.848 3.248 -10.908 1.00 0.00 N ATOM 753 CA GLU A 48 30.018 4.213 -11.610 1.00 0.00 C ATOM 754 C GLU A 48 28.637 3.622 -11.863 1.00 0.00 C ATOM 755 O GLU A 48 27.631 4.323 -11.794 1.00 0.00 O ATOM 756 CB GLU A 48 30.666 4.618 -12.935 1.00 0.00 C ATOM 757 CG GLU A 48 31.646 5.774 -12.807 1.00 0.00 C ATOM 758 CD GLU A 48 31.240 6.987 -13.621 1.00 0.00 C ATOM 759 OE1 GLU A 48 30.365 6.859 -14.500 1.00 0.00 O ATOM 760 OE2 GLU A 48 31.803 8.082 -13.388 1.00 0.00 O ATOM 0 H GLU A 48 31.556 2.799 -11.490 1.00 0.00 H new ATOM 0 HA GLU A 48 29.918 5.103 -10.989 1.00 0.00 H new ATOM 0 HB2 GLU A 48 31.186 3.756 -13.353 1.00 0.00 H new ATOM 0 HB3 GLU A 48 29.884 4.893 -13.643 1.00 0.00 H new ATOM 0 HG2 GLU A 48 31.729 6.058 -11.758 1.00 0.00 H new ATOM 0 HG3 GLU A 48 32.634 5.443 -13.127 1.00 0.00 H new ATOM 767 N GLY A 49 28.601 2.319 -12.120 1.00 0.00 N ATOM 768 CA GLY A 49 27.342 1.639 -12.375 1.00 0.00 C ATOM 769 C GLY A 49 26.495 1.571 -11.127 1.00 0.00 C ATOM 770 O GLY A 49 25.264 1.598 -11.184 1.00 0.00 O ATOM 0 H GLY A 49 29.425 1.718 -12.157 1.00 0.00 H new ATOM 0 HA2 GLY A 49 26.796 2.162 -13.160 1.00 0.00 H new ATOM 0 HA3 GLY A 49 27.538 0.631 -12.740 1.00 0.00 H new ATOM 774 N LEU A 50 27.173 1.474 -9.995 1.00 0.00 N ATOM 775 CA LEU A 50 26.536 1.565 -8.693 1.00 0.00 C ATOM 776 C LEU A 50 25.828 2.907 -8.552 1.00 0.00 C ATOM 777 O LEU A 50 24.706 2.984 -8.049 1.00 0.00 O ATOM 778 CB LEU A 50 27.591 1.422 -7.597 1.00 0.00 C ATOM 779 CG LEU A 50 27.405 0.247 -6.637 1.00 0.00 C ATOM 780 CD1 LEU A 50 25.932 -0.092 -6.460 1.00 0.00 C ATOM 781 CD2 LEU A 50 28.184 -0.967 -7.120 1.00 0.00 C ATOM 0 H LEU A 50 28.182 1.330 -9.954 1.00 0.00 H new ATOM 0 HA LEU A 50 25.802 0.765 -8.597 1.00 0.00 H new ATOM 0 HB2 LEU A 50 28.568 1.327 -8.071 1.00 0.00 H new ATOM 0 HB3 LEU A 50 27.608 2.343 -7.014 1.00 0.00 H new ATOM 0 HG LEU A 50 27.797 0.543 -5.664 1.00 0.00 H new ATOM 0 HD11 LEU A 50 25.832 -0.931 -5.772 1.00 0.00 H new ATOM 0 HD12 LEU A 50 25.406 0.773 -6.056 1.00 0.00 H new ATOM 0 HD13 LEU A 50 25.502 -0.361 -7.425 1.00 0.00 H new ATOM 0 HD21 LEU A 50 28.039 -1.793 -6.424 1.00 0.00 H new ATOM 0 HD22 LEU A 50 27.828 -1.259 -8.108 1.00 0.00 H new ATOM 0 HD23 LEU A 50 29.244 -0.721 -7.175 1.00 0.00 H new ATOM 793 N ILE A 51 26.500 3.963 -8.996 1.00 0.00 N ATOM 794 CA ILE A 51 25.907 5.299 -8.979 1.00 0.00 C ATOM 795 C ILE A 51 24.728 5.374 -9.944 1.00 0.00 C ATOM 796 O ILE A 51 23.697 5.958 -9.620 1.00 0.00 O ATOM 797 CB ILE A 51 26.910 6.416 -9.343 1.00 0.00 C ATOM 798 CG1 ILE A 51 28.326 6.074 -8.879 1.00 0.00 C ATOM 799 CG2 ILE A 51 26.458 7.739 -8.743 1.00 0.00 C ATOM 800 CD1 ILE A 51 28.536 6.172 -7.383 1.00 0.00 C ATOM 0 H ILE A 51 27.448 3.923 -9.370 1.00 0.00 H new ATOM 0 HA ILE A 51 25.578 5.464 -7.953 1.00 0.00 H new ATOM 0 HB ILE A 51 26.934 6.506 -10.429 1.00 0.00 H new ATOM 0 HG12 ILE A 51 28.566 5.061 -9.201 1.00 0.00 H new ATOM 0 HG13 ILE A 51 29.029 6.742 -9.377 1.00 0.00 H new ATOM 0 HG21 ILE A 51 27.172 8.520 -9.005 1.00 0.00 H new ATOM 0 HG22 ILE A 51 25.475 7.999 -9.135 1.00 0.00 H new ATOM 0 HG23 ILE A 51 26.403 7.647 -7.658 1.00 0.00 H new ATOM 0 HD11 ILE A 51 29.567 5.913 -7.143 1.00 0.00 H new ATOM 0 HD12 ILE A 51 28.331 7.190 -7.053 1.00 0.00 H new ATOM 0 HD13 ILE A 51 27.861 5.483 -6.875 1.00 0.00 H new ATOM 812 N SER A 52 24.883 4.780 -11.123 1.00 0.00 N ATOM 813 CA SER A 52 23.810 4.752 -12.115 1.00 0.00 C ATOM 814 C SER A 52 22.559 4.092 -11.544 1.00 0.00 C ATOM 815 O SER A 52 21.438 4.556 -11.766 1.00 0.00 O ATOM 816 CB SER A 52 24.266 4.008 -13.369 1.00 0.00 C ATOM 817 OG SER A 52 25.637 4.247 -13.637 1.00 0.00 O ATOM 0 H SER A 52 25.740 4.311 -11.416 1.00 0.00 H new ATOM 0 HA SER A 52 23.567 5.781 -12.380 1.00 0.00 H new ATOM 0 HB2 SER A 52 24.099 2.938 -13.241 1.00 0.00 H new ATOM 0 HB3 SER A 52 23.665 4.325 -14.222 1.00 0.00 H new ATOM 0 HG SER A 52 25.903 3.758 -14.443 1.00 0.00 H new ATOM 823 N ALA A 53 22.764 3.018 -10.784 1.00 0.00 N ATOM 824 CA ALA A 53 21.668 2.320 -10.127 1.00 0.00 C ATOM 825 C ALA A 53 21.005 3.210 -9.081 1.00 0.00 C ATOM 826 O ALA A 53 19.833 3.040 -8.754 1.00 0.00 O ATOM 827 CB ALA A 53 22.170 1.032 -9.486 1.00 0.00 C ATOM 0 H ALA A 53 23.684 2.613 -10.609 1.00 0.00 H new ATOM 0 HA ALA A 53 20.922 2.069 -10.882 1.00 0.00 H new ATOM 0 HB1 ALA A 53 21.340 0.521 -8.999 1.00 0.00 H new ATOM 0 HB2 ALA A 53 22.594 0.385 -10.254 1.00 0.00 H new ATOM 0 HB3 ALA A 53 22.935 1.268 -8.747 1.00 0.00 H new ATOM 833 N HIS A 54 21.759 4.166 -8.557 1.00 0.00 N ATOM 834 CA HIS A 54 21.227 5.094 -7.573 1.00 0.00 C ATOM 835 C HIS A 54 20.530 6.262 -8.259 1.00 0.00 C ATOM 836 O HIS A 54 19.598 6.847 -7.708 1.00 0.00 O ATOM 837 CB HIS A 54 22.334 5.603 -6.654 1.00 0.00 C ATOM 838 CG HIS A 54 21.862 5.920 -5.268 1.00 0.00 C ATOM 839 ND1 HIS A 54 20.780 5.303 -4.675 1.00 0.00 N ATOM 840 CD2 HIS A 54 22.332 6.799 -4.355 1.00 0.00 C ATOM 841 CE1 HIS A 54 20.608 5.790 -3.461 1.00 0.00 C ATOM 842 NE2 HIS A 54 21.535 6.701 -3.240 1.00 0.00 N ATOM 0 H HIS A 54 22.739 4.318 -8.797 1.00 0.00 H new ATOM 0 HA HIS A 54 20.495 4.561 -6.966 1.00 0.00 H new ATOM 0 HB2 HIS A 54 23.122 4.852 -6.598 1.00 0.00 H new ATOM 0 HB3 HIS A 54 22.776 6.498 -7.092 1.00 0.00 H new ATOM 0 HD2 HIS A 54 23.179 7.458 -4.479 1.00 0.00 H new ATOM 0 HE1 HIS A 54 19.837 5.492 -2.765 1.00 0.00 H new ATOM 0 HE2 HIS A 54 21.643 7.243 -2.383 1.00 0.00 H new ATOM 851 N ASP A 55 20.986 6.598 -9.460 1.00 0.00 N ATOM 852 CA ASP A 55 20.342 7.636 -10.255 1.00 0.00 C ATOM 853 C ASP A 55 18.970 7.166 -10.703 1.00 0.00 C ATOM 854 O ASP A 55 17.978 7.863 -10.519 1.00 0.00 O ATOM 855 CB ASP A 55 21.181 8.006 -11.480 1.00 0.00 C ATOM 856 CG ASP A 55 20.518 9.081 -12.325 1.00 0.00 C ATOM 857 OD1 ASP A 55 20.646 10.276 -11.979 1.00 0.00 O ATOM 858 OD2 ASP A 55 19.863 8.740 -13.334 1.00 0.00 O ATOM 0 H ASP A 55 21.797 6.168 -9.904 1.00 0.00 H new ATOM 0 HA ASP A 55 20.244 8.523 -9.629 1.00 0.00 H new ATOM 0 HB2 ASP A 55 22.161 8.354 -11.155 1.00 0.00 H new ATOM 0 HB3 ASP A 55 21.344 7.117 -12.089 1.00 0.00 H new ATOM 863 N GLN A 56 18.918 5.961 -11.268 1.00 0.00 N ATOM 864 CA GLN A 56 17.652 5.373 -11.685 1.00 0.00 C ATOM 865 C GLN A 56 16.776 5.090 -10.467 1.00 0.00 C ATOM 866 O GLN A 56 15.551 5.019 -10.565 1.00 0.00 O ATOM 867 CB GLN A 56 17.888 4.096 -12.497 1.00 0.00 C ATOM 868 CG GLN A 56 18.337 2.902 -11.670 1.00 0.00 C ATOM 869 CD GLN A 56 17.769 1.597 -12.185 1.00 0.00 C ATOM 870 OE1 GLN A 56 18.193 1.085 -13.220 1.00 0.00 O ATOM 871 NE2 GLN A 56 16.803 1.047 -11.472 1.00 0.00 N ATOM 0 H GLN A 56 19.735 5.377 -11.446 1.00 0.00 H new ATOM 0 HA GLN A 56 17.132 6.085 -12.326 1.00 0.00 H new ATOM 0 HB2 GLN A 56 16.967 3.836 -13.019 1.00 0.00 H new ATOM 0 HB3 GLN A 56 18.640 4.298 -13.260 1.00 0.00 H new ATOM 0 HG2 GLN A 56 19.426 2.849 -11.675 1.00 0.00 H new ATOM 0 HG3 GLN A 56 18.030 3.045 -10.634 1.00 0.00 H new ATOM 0 HE21 GLN A 56 16.477 1.501 -10.619 1.00 0.00 H new ATOM 0 HE22 GLN A 56 16.383 0.168 -11.775 1.00 0.00 H new ATOM 880 N PHE A 57 17.417 4.956 -9.314 1.00 0.00 N ATOM 881 CA PHE A 57 16.711 4.808 -8.054 1.00 0.00 C ATOM 882 C PHE A 57 15.952 6.091 -7.743 1.00 0.00 C ATOM 883 O PHE A 57 14.829 6.055 -7.258 1.00 0.00 O ATOM 884 CB PHE A 57 17.702 4.481 -6.928 1.00 0.00 C ATOM 885 CG PHE A 57 17.071 3.950 -5.673 1.00 0.00 C ATOM 886 CD1 PHE A 57 16.482 2.697 -5.650 1.00 0.00 C ATOM 887 CD2 PHE A 57 17.079 4.703 -4.511 1.00 0.00 C ATOM 888 CE1 PHE A 57 15.913 2.207 -4.492 1.00 0.00 C ATOM 889 CE2 PHE A 57 16.511 4.220 -3.351 1.00 0.00 C ATOM 890 CZ PHE A 57 15.926 2.970 -3.340 1.00 0.00 C ATOM 0 H PHE A 57 18.433 4.947 -9.228 1.00 0.00 H new ATOM 0 HA PHE A 57 15.999 3.986 -8.132 1.00 0.00 H new ATOM 0 HB2 PHE A 57 18.420 3.748 -7.296 1.00 0.00 H new ATOM 0 HB3 PHE A 57 18.263 5.383 -6.683 1.00 0.00 H new ATOM 0 HD1 PHE A 57 16.468 2.097 -6.548 1.00 0.00 H new ATOM 0 HD2 PHE A 57 17.536 5.681 -4.513 1.00 0.00 H new ATOM 0 HE1 PHE A 57 15.458 1.228 -4.486 1.00 0.00 H new ATOM 0 HE2 PHE A 57 16.524 4.819 -2.452 1.00 0.00 H new ATOM 0 HZ PHE A 57 15.480 2.589 -2.433 1.00 0.00 H new ATOM 900 N LYS A 58 16.565 7.226 -8.061 1.00 0.00 N ATOM 901 CA LYS A 58 15.929 8.526 -7.881 1.00 0.00 C ATOM 902 C LYS A 58 14.860 8.761 -8.936 1.00 0.00 C ATOM 903 O LYS A 58 14.092 9.714 -8.855 1.00 0.00 O ATOM 904 CB LYS A 58 16.965 9.646 -7.947 1.00 0.00 C ATOM 905 CG LYS A 58 16.994 10.513 -6.704 1.00 0.00 C ATOM 906 CD LYS A 58 17.014 9.659 -5.452 1.00 0.00 C ATOM 907 CE LYS A 58 18.384 9.046 -5.224 1.00 0.00 C ATOM 908 NZ LYS A 58 19.352 10.044 -4.687 1.00 0.00 N ATOM 0 H LYS A 58 17.508 7.272 -8.447 1.00 0.00 H new ATOM 0 HA LYS A 58 15.459 8.530 -6.898 1.00 0.00 H new ATOM 0 HB2 LYS A 58 17.952 9.209 -8.100 1.00 0.00 H new ATOM 0 HB3 LYS A 58 16.756 10.273 -8.814 1.00 0.00 H new ATOM 0 HG2 LYS A 58 17.873 11.157 -6.725 1.00 0.00 H new ATOM 0 HG3 LYS A 58 16.121 11.166 -6.690 1.00 0.00 H new ATOM 0 HD2 LYS A 58 16.737 10.267 -4.590 1.00 0.00 H new ATOM 0 HD3 LYS A 58 16.269 8.868 -5.537 1.00 0.00 H new ATOM 0 HE2 LYS A 58 18.298 8.211 -4.528 1.00 0.00 H new ATOM 0 HE3 LYS A 58 18.762 8.641 -6.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 20.082 9.555 -4.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 19.800 10.552 -5.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 18.850 10.722 -4.079 1.00 0.00 H new ATOM 922 N SER A 59 14.828 7.894 -9.929 1.00 0.00 N ATOM 923 CA SER A 59 13.801 7.957 -10.959 1.00 0.00 C ATOM 924 C SER A 59 12.600 7.116 -10.540 1.00 0.00 C ATOM 925 O SER A 59 11.448 7.470 -10.800 1.00 0.00 O ATOM 926 CB SER A 59 14.359 7.477 -12.300 1.00 0.00 C ATOM 927 OG SER A 59 15.725 7.839 -12.437 1.00 0.00 O ATOM 0 H SER A 59 15.500 7.136 -10.047 1.00 0.00 H new ATOM 0 HA SER A 59 13.479 8.991 -11.079 1.00 0.00 H new ATOM 0 HB2 SER A 59 14.256 6.395 -12.375 1.00 0.00 H new ATOM 0 HB3 SER A 59 13.780 7.910 -13.116 1.00 0.00 H new ATOM 0 HG SER A 59 16.058 7.535 -13.307 1.00 0.00 H new ATOM 933 N THR A 60 12.881 6.006 -9.873 1.00 0.00 N ATOM 934 CA THR A 60 11.844 5.158 -9.329 1.00 0.00 C ATOM 935 C THR A 60 11.291 5.743 -8.027 1.00 0.00 C ATOM 936 O THR A 60 10.158 5.458 -7.638 1.00 0.00 O ATOM 937 CB THR A 60 12.394 3.742 -9.082 1.00 0.00 C ATOM 938 OG1 THR A 60 13.074 3.279 -10.257 1.00 0.00 O ATOM 939 CG2 THR A 60 11.283 2.773 -8.728 1.00 0.00 C ATOM 0 H THR A 60 13.829 5.674 -9.697 1.00 0.00 H new ATOM 0 HA THR A 60 11.031 5.103 -10.053 1.00 0.00 H new ATOM 0 HB THR A 60 13.087 3.789 -8.242 1.00 0.00 H new ATOM 0 HG1 THR A 60 13.922 3.760 -10.355 1.00 0.00 H new ATOM 0 HG21 THR A 60 11.704 1.782 -8.560 1.00 0.00 H new ATOM 0 HG22 THR A 60 10.780 3.112 -7.823 1.00 0.00 H new ATOM 0 HG23 THR A 60 10.565 2.728 -9.547 1.00 0.00 H new ATOM 947 N LEU A 61 12.094 6.582 -7.376 1.00 0.00 N ATOM 948 CA LEU A 61 11.707 7.204 -6.110 1.00 0.00 C ATOM 949 C LEU A 61 10.365 7.944 -6.218 1.00 0.00 C ATOM 950 O LEU A 61 9.435 7.603 -5.506 1.00 0.00 O ATOM 951 CB LEU A 61 12.804 8.160 -5.611 1.00 0.00 C ATOM 952 CG LEU A 61 13.883 7.545 -4.704 1.00 0.00 C ATOM 953 CD1 LEU A 61 14.150 8.447 -3.512 1.00 0.00 C ATOM 954 CD2 LEU A 61 13.497 6.153 -4.235 1.00 0.00 C ATOM 0 H LEU A 61 13.022 6.848 -7.706 1.00 0.00 H new ATOM 0 HA LEU A 61 11.583 6.400 -5.385 1.00 0.00 H new ATOM 0 HB2 LEU A 61 13.296 8.599 -6.479 1.00 0.00 H new ATOM 0 HB3 LEU A 61 12.326 8.976 -5.069 1.00 0.00 H new ATOM 0 HG LEU A 61 14.795 7.454 -5.294 1.00 0.00 H new ATOM 0 HD11 LEU A 61 14.916 7.998 -2.880 1.00 0.00 H new ATOM 0 HD12 LEU A 61 14.494 9.420 -3.862 1.00 0.00 H new ATOM 0 HD13 LEU A 61 13.232 8.571 -2.937 1.00 0.00 H new ATOM 0 HD21 LEU A 61 14.285 5.753 -3.597 1.00 0.00 H new ATOM 0 HD22 LEU A 61 12.565 6.204 -3.672 1.00 0.00 H new ATOM 0 HD23 LEU A 61 13.364 5.502 -5.099 1.00 0.00 H new ATOM 966 N PRO A 62 10.220 8.951 -7.112 1.00 0.00 N ATOM 967 CA PRO A 62 8.967 9.711 -7.235 1.00 0.00 C ATOM 968 C PRO A 62 7.798 8.832 -7.676 1.00 0.00 C ATOM 969 O PRO A 62 6.642 9.084 -7.321 1.00 0.00 O ATOM 970 CB PRO A 62 9.280 10.764 -8.305 1.00 0.00 C ATOM 971 CG PRO A 62 10.442 10.215 -9.057 1.00 0.00 C ATOM 972 CD PRO A 62 11.241 9.434 -8.059 1.00 0.00 C ATOM 0 HA PRO A 62 8.660 10.140 -6.281 1.00 0.00 H new ATOM 0 HB2 PRO A 62 8.425 10.925 -8.962 1.00 0.00 H new ATOM 0 HB3 PRO A 62 9.521 11.726 -7.853 1.00 0.00 H new ATOM 0 HG2 PRO A 62 10.111 9.578 -9.878 1.00 0.00 H new ATOM 0 HG3 PRO A 62 11.038 11.016 -9.495 1.00 0.00 H new ATOM 0 HD2 PRO A 62 11.776 8.609 -8.529 1.00 0.00 H new ATOM 0 HD3 PRO A 62 11.986 10.057 -7.564 1.00 0.00 H new ATOM 980 N ASP A 63 8.112 7.787 -8.431 1.00 0.00 N ATOM 981 CA ASP A 63 7.098 6.865 -8.925 1.00 0.00 C ATOM 982 C ASP A 63 6.553 6.020 -7.784 1.00 0.00 C ATOM 983 O ASP A 63 5.341 5.915 -7.590 1.00 0.00 O ATOM 984 CB ASP A 63 7.680 5.956 -10.010 1.00 0.00 C ATOM 985 CG ASP A 63 6.911 6.045 -11.314 1.00 0.00 C ATOM 986 OD1 ASP A 63 5.760 6.530 -11.302 1.00 0.00 O ATOM 987 OD2 ASP A 63 7.459 5.636 -12.361 1.00 0.00 O ATOM 0 H ASP A 63 9.064 7.557 -8.715 1.00 0.00 H new ATOM 0 HA ASP A 63 6.285 7.450 -9.356 1.00 0.00 H new ATOM 0 HB2 ASP A 63 8.721 6.226 -10.186 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.674 4.925 -9.658 1.00 0.00 H new ATOM 992 N ALA A 64 7.462 5.437 -7.016 1.00 0.00 N ATOM 993 CA ALA A 64 7.090 4.620 -5.872 1.00 0.00 C ATOM 994 C ALA A 64 6.575 5.499 -4.732 1.00 0.00 C ATOM 995 O ALA A 64 5.786 5.053 -3.899 1.00 0.00 O ATOM 996 CB ALA A 64 8.273 3.775 -5.418 1.00 0.00 C ATOM 0 H ALA A 64 8.468 5.516 -7.166 1.00 0.00 H new ATOM 0 HA ALA A 64 6.286 3.947 -6.169 1.00 0.00 H new ATOM 0 HB1 ALA A 64 7.980 3.169 -4.561 1.00 0.00 H new ATOM 0 HB2 ALA A 64 8.588 3.123 -6.233 1.00 0.00 H new ATOM 0 HB3 ALA A 64 9.099 4.428 -5.135 1.00 0.00 H new ATOM 1002 N ASP A 65 7.028 6.747 -4.708 1.00 0.00 N ATOM 1003 CA ASP A 65 6.565 7.723 -3.727 1.00 0.00 C ATOM 1004 C ASP A 65 5.063 7.925 -3.866 1.00 0.00 C ATOM 1005 O ASP A 65 4.321 7.878 -2.883 1.00 0.00 O ATOM 1006 CB ASP A 65 7.304 9.056 -3.911 1.00 0.00 C ATOM 1007 CG ASP A 65 6.710 10.197 -3.108 1.00 0.00 C ATOM 1008 OD1 ASP A 65 6.214 9.954 -1.992 1.00 0.00 O ATOM 1009 OD2 ASP A 65 6.753 11.352 -3.583 1.00 0.00 O ATOM 0 H ASP A 65 7.721 7.110 -5.362 1.00 0.00 H new ATOM 0 HA ASP A 65 6.778 7.347 -2.726 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.347 8.926 -3.624 1.00 0.00 H new ATOM 0 HB3 ASP A 65 7.295 9.324 -4.968 1.00 0.00 H new ATOM 1014 N ARG A 66 4.617 8.115 -5.101 1.00 0.00 N ATOM 1015 CA ARG A 66 3.196 8.245 -5.386 1.00 0.00 C ATOM 1016 C ARG A 66 2.473 6.946 -5.050 1.00 0.00 C ATOM 1017 O ARG A 66 1.358 6.962 -4.526 1.00 0.00 O ATOM 1018 CB ARG A 66 2.975 8.601 -6.857 1.00 0.00 C ATOM 1019 CG ARG A 66 1.662 9.324 -7.119 1.00 0.00 C ATOM 1020 CD ARG A 66 1.576 9.823 -8.552 1.00 0.00 C ATOM 1021 NE ARG A 66 1.630 11.282 -8.630 1.00 0.00 N ATOM 1022 CZ ARG A 66 1.891 11.964 -9.744 1.00 0.00 C ATOM 1023 NH1 ARG A 66 2.121 11.334 -10.888 1.00 0.00 N ATOM 1024 NH2 ARG A 66 1.920 13.289 -9.710 1.00 0.00 N ATOM 0 H ARG A 66 5.220 8.182 -5.921 1.00 0.00 H new ATOM 0 HA ARG A 66 2.791 9.047 -4.769 1.00 0.00 H new ATOM 0 HB2 ARG A 66 3.799 9.227 -7.198 1.00 0.00 H new ATOM 0 HB3 ARG A 66 3.002 7.688 -7.451 1.00 0.00 H new ATOM 0 HG2 ARG A 66 0.829 8.651 -6.916 1.00 0.00 H new ATOM 0 HG3 ARG A 66 1.566 10.166 -6.433 1.00 0.00 H new ATOM 0 HD2 ARG A 66 2.395 9.399 -9.133 1.00 0.00 H new ATOM 0 HD3 ARG A 66 0.649 9.470 -9.003 1.00 0.00 H new ATOM 0 HE ARG A 66 1.457 11.812 -7.776 1.00 0.00 H new ATOM 0 HH11 ARG A 66 2.099 10.315 -10.922 1.00 0.00 H new ATOM 0 HH12 ARG A 66 2.320 11.869 -11.734 1.00 0.00 H new ATOM 0 HH21 ARG A 66 1.743 13.781 -8.834 1.00 0.00 H new ATOM 0 HH22 ARG A 66 2.119 13.817 -10.560 1.00 0.00 H new ATOM 1038 N GLU A 67 3.132 5.822 -5.327 1.00 0.00 N ATOM 1039 CA GLU A 67 2.559 4.502 -5.079 1.00 0.00 C ATOM 1040 C GLU A 67 2.279 4.280 -3.592 1.00 0.00 C ATOM 1041 O GLU A 67 1.334 3.579 -3.234 1.00 0.00 O ATOM 1042 CB GLU A 67 3.496 3.410 -5.598 1.00 0.00 C ATOM 1043 CG GLU A 67 2.777 2.319 -6.375 1.00 0.00 C ATOM 1044 CD GLU A 67 2.624 2.650 -7.846 1.00 0.00 C ATOM 1045 OE1 GLU A 67 1.660 3.361 -8.201 1.00 0.00 O ATOM 1046 OE2 GLU A 67 3.462 2.192 -8.651 1.00 0.00 O ATOM 0 H GLU A 67 4.070 5.801 -5.726 1.00 0.00 H new ATOM 0 HA GLU A 67 1.610 4.450 -5.614 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.252 3.864 -6.238 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.021 2.960 -4.755 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.327 1.384 -6.273 1.00 0.00 H new ATOM 0 HG3 GLU A 67 1.791 2.158 -5.939 1.00 0.00 H new ATOM 1053 N ARG A 68 3.094 4.886 -2.731 1.00 0.00 N ATOM 1054 CA ARG A 68 2.925 4.747 -1.288 1.00 0.00 C ATOM 1055 C ARG A 68 1.568 5.294 -0.847 1.00 0.00 C ATOM 1056 O ARG A 68 0.936 4.757 0.064 1.00 0.00 O ATOM 1057 CB ARG A 68 4.081 5.446 -0.549 1.00 0.00 C ATOM 1058 CG ARG A 68 3.702 6.722 0.190 1.00 0.00 C ATOM 1059 CD ARG A 68 4.933 7.406 0.759 1.00 0.00 C ATOM 1060 NE ARG A 68 5.134 8.738 0.190 1.00 0.00 N ATOM 1061 CZ ARG A 68 4.786 9.879 0.788 1.00 0.00 C ATOM 1062 NH1 ARG A 68 4.246 9.874 1.998 1.00 0.00 N ATOM 1063 NH2 ARG A 68 4.998 11.029 0.166 1.00 0.00 N ATOM 0 H ARG A 68 3.877 5.478 -3.008 1.00 0.00 H new ATOM 0 HA ARG A 68 2.950 3.688 -1.031 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.510 4.745 0.167 1.00 0.00 H new ATOM 0 HB3 ARG A 68 4.862 5.682 -1.271 1.00 0.00 H new ATOM 0 HG2 ARG A 68 3.186 7.400 -0.489 1.00 0.00 H new ATOM 0 HG3 ARG A 68 3.007 6.487 0.996 1.00 0.00 H new ATOM 0 HD2 ARG A 68 4.835 7.486 1.842 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.812 6.792 0.563 1.00 0.00 H new ATOM 0 HE ARG A 68 5.571 8.799 -0.729 1.00 0.00 H new ATOM 0 HH11 ARG A 68 4.092 8.991 2.484 1.00 0.00 H new ATOM 0 HH12 ARG A 68 3.985 10.754 2.443 1.00 0.00 H new ATOM 0 HH21 ARG A 68 5.423 11.037 -0.761 1.00 0.00 H new ATOM 0 HH22 ARG A 68 4.736 11.907 0.614 1.00 0.00 H new ATOM 1077 N GLU A 69 1.107 6.347 -1.516 1.00 0.00 N ATOM 1078 CA GLU A 69 -0.191 6.925 -1.203 1.00 0.00 C ATOM 1079 C GLU A 69 -1.269 6.314 -2.084 1.00 0.00 C ATOM 1080 O GLU A 69 -2.437 6.281 -1.708 1.00 0.00 O ATOM 1081 CB GLU A 69 -0.172 8.442 -1.355 1.00 0.00 C ATOM 1082 CG GLU A 69 -0.428 9.172 -0.047 1.00 0.00 C ATOM 1083 CD GLU A 69 0.833 9.348 0.771 1.00 0.00 C ATOM 1084 OE1 GLU A 69 1.715 10.115 0.333 1.00 0.00 O ATOM 1085 OE2 GLU A 69 0.942 8.737 1.857 1.00 0.00 O ATOM 0 H GLU A 69 1.610 6.812 -2.272 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.419 6.697 -0.162 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.795 8.750 -1.754 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -0.926 8.738 -2.084 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.860 10.150 -0.258 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.163 8.618 0.537 1.00 0.00 H new ATOM 1092 N ALA A 70 -0.870 5.809 -3.246 1.00 0.00 N ATOM 1093 CA ALA A 70 -1.785 5.103 -4.140 1.00 0.00 C ATOM 1094 C ALA A 70 -2.186 3.758 -3.541 1.00 0.00 C ATOM 1095 O ALA A 70 -3.062 3.062 -4.051 1.00 0.00 O ATOM 1096 CB ALA A 70 -1.141 4.908 -5.501 1.00 0.00 C ATOM 0 H ALA A 70 0.087 5.875 -3.594 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.685 5.705 -4.263 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.832 4.381 -6.158 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.900 5.880 -5.932 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.228 4.323 -5.391 1.00 0.00 H new ATOM 1102 N ILE A 71 -1.527 3.410 -2.451 1.00 0.00 N ATOM 1103 CA ILE A 71 -1.826 2.203 -1.709 1.00 0.00 C ATOM 1104 C ILE A 71 -2.835 2.537 -0.613 1.00 0.00 C ATOM 1105 O ILE A 71 -3.786 1.794 -0.361 1.00 0.00 O ATOM 1106 CB ILE A 71 -0.519 1.596 -1.123 1.00 0.00 C ATOM 1107 CG1 ILE A 71 -0.123 0.344 -1.902 1.00 0.00 C ATOM 1108 CG2 ILE A 71 -0.639 1.275 0.362 1.00 0.00 C ATOM 1109 CD1 ILE A 71 1.285 0.397 -2.452 1.00 0.00 C ATOM 0 H ILE A 71 -0.765 3.961 -2.055 1.00 0.00 H new ATOM 0 HA ILE A 71 -2.263 1.453 -2.368 1.00 0.00 H new ATOM 0 HB ILE A 71 0.259 2.352 -1.226 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.218 -0.525 -1.251 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.822 0.202 -2.726 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.300 0.854 0.720 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -0.862 2.188 0.915 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -1.441 0.553 0.515 1.00 0.00 H new ATOM 0 HD11 ILE A 71 1.499 -0.524 -2.994 1.00 0.00 H new ATOM 0 HD12 ILE A 71 1.379 1.246 -3.129 1.00 0.00 H new ATOM 0 HD13 ILE A 71 1.993 0.508 -1.630 1.00 0.00 H new ATOM 1121 N LEU A 72 -2.634 3.696 0.000 1.00 0.00 N ATOM 1122 CA LEU A 72 -3.569 4.242 0.974 1.00 0.00 C ATOM 1123 C LEU A 72 -4.833 4.708 0.276 1.00 0.00 C ATOM 1124 O LEU A 72 -5.882 4.827 0.895 1.00 0.00 O ATOM 1125 CB LEU A 72 -2.926 5.422 1.686 1.00 0.00 C ATOM 1126 CG LEU A 72 -2.545 5.170 3.135 1.00 0.00 C ATOM 1127 CD1 LEU A 72 -1.095 5.552 3.362 1.00 0.00 C ATOM 1128 CD2 LEU A 72 -3.468 5.950 4.052 1.00 0.00 C ATOM 0 H LEU A 72 -1.817 4.284 -0.164 1.00 0.00 H new ATOM 0 HA LEU A 72 -3.823 3.467 1.697 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.031 5.714 1.137 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -3.613 6.267 1.649 1.00 0.00 H new ATOM 0 HG LEU A 72 -2.655 4.110 3.362 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.829 5.369 4.403 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.455 4.954 2.713 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -0.957 6.609 3.133 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -3.191 5.766 5.090 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.380 7.015 3.836 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.497 5.631 3.889 1.00 0.00 H new ATOM 1140 N ALA A 73 -4.711 4.986 -1.014 1.00 0.00 N ATOM 1141 CA ALA A 73 -5.863 5.341 -1.846 1.00 0.00 C ATOM 1142 C ALA A 73 -6.961 4.289 -1.715 1.00 0.00 C ATOM 1143 O ALA A 73 -8.145 4.613 -1.622 1.00 0.00 O ATOM 1144 CB ALA A 73 -5.448 5.494 -3.302 1.00 0.00 C ATOM 0 H ALA A 73 -3.822 4.974 -1.514 1.00 0.00 H new ATOM 0 HA ALA A 73 -6.254 6.297 -1.498 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -6.318 5.758 -3.903 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -4.698 6.280 -3.386 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -5.030 4.554 -3.662 1.00 0.00 H new ATOM 1150 N ILE A 74 -6.553 3.026 -1.701 1.00 0.00 N ATOM 1151 CA ILE A 74 -7.476 1.920 -1.472 1.00 0.00 C ATOM 1152 C ILE A 74 -7.926 1.914 -0.015 1.00 0.00 C ATOM 1153 O ILE A 74 -9.089 1.663 0.302 1.00 0.00 O ATOM 1154 CB ILE A 74 -6.803 0.573 -1.794 1.00 0.00 C ATOM 1155 CG1 ILE A 74 -6.350 0.541 -3.253 1.00 0.00 C ATOM 1156 CG2 ILE A 74 -7.742 -0.584 -1.496 1.00 0.00 C ATOM 1157 CD1 ILE A 74 -4.868 0.286 -3.413 1.00 0.00 C ATOM 0 H ILE A 74 -5.585 2.741 -1.846 1.00 0.00 H new ATOM 0 HA ILE A 74 -8.337 2.054 -2.127 1.00 0.00 H new ATOM 0 HB ILE A 74 -5.925 0.466 -1.158 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -6.904 -0.235 -3.782 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -6.601 1.491 -3.725 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -7.245 -1.525 -1.731 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -8.013 -0.570 -0.440 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -8.642 -0.487 -2.103 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -4.613 0.276 -4.473 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -4.307 1.075 -2.912 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -4.615 -0.677 -2.969 1.00 0.00 H new ATOM 1169 N HIS A 75 -6.978 2.203 0.860 1.00 0.00 N ATOM 1170 CA HIS A 75 -7.217 2.262 2.295 1.00 0.00 C ATOM 1171 C HIS A 75 -8.294 3.274 2.637 1.00 0.00 C ATOM 1172 O HIS A 75 -9.092 3.045 3.534 1.00 0.00 O ATOM 1173 CB HIS A 75 -5.906 2.607 3.008 1.00 0.00 C ATOM 1174 CG HIS A 75 -6.051 2.698 4.487 1.00 0.00 C ATOM 1175 ND1 HIS A 75 -5.409 3.618 5.286 1.00 0.00 N ATOM 1176 CD2 HIS A 75 -6.801 1.956 5.301 1.00 0.00 C ATOM 1177 CE1 HIS A 75 -5.772 3.425 6.542 1.00 0.00 C ATOM 1178 NE2 HIS A 75 -6.620 2.418 6.579 1.00 0.00 N ATOM 0 H HIS A 75 -6.014 2.405 0.595 1.00 0.00 H new ATOM 0 HA HIS A 75 -7.572 1.288 2.632 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -5.159 1.850 2.768 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -5.531 3.557 2.627 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -7.439 1.136 5.006 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -5.431 3.996 7.393 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -7.067 2.045 7.417 1.00 0.00 H new ATOM 1187 N LYS A 76 -8.296 4.373 1.923 1.00 0.00 N ATOM 1188 CA LYS A 76 -9.292 5.426 2.109 1.00 0.00 C ATOM 1189 C LYS A 76 -10.702 4.865 1.982 1.00 0.00 C ATOM 1190 O LYS A 76 -11.575 5.168 2.793 1.00 0.00 O ATOM 1191 CB LYS A 76 -9.092 6.548 1.083 1.00 0.00 C ATOM 1192 CG LYS A 76 -7.731 7.222 1.152 1.00 0.00 C ATOM 1193 CD LYS A 76 -7.557 7.995 2.445 1.00 0.00 C ATOM 1194 CE LYS A 76 -7.537 9.495 2.202 1.00 0.00 C ATOM 1195 NZ LYS A 76 -8.870 10.112 2.427 1.00 0.00 N ATOM 0 H LYS A 76 -7.611 4.573 1.194 1.00 0.00 H new ATOM 0 HA LYS A 76 -9.162 5.833 3.112 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -9.232 6.139 0.082 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -9.866 7.302 1.230 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -6.947 6.470 1.069 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -7.615 7.898 0.305 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -8.368 7.748 3.129 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -6.628 7.692 2.929 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -6.806 9.960 2.863 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -7.214 9.693 1.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -8.813 11.135 2.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -9.563 9.687 1.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -9.168 9.946 3.409 1.00 0.00 H new ATOM 1209 N GLU A 77 -10.906 4.010 0.990 1.00 0.00 N ATOM 1210 CA GLU A 77 -12.224 3.443 0.730 1.00 0.00 C ATOM 1211 C GLU A 77 -12.606 2.457 1.830 1.00 0.00 C ATOM 1212 O GLU A 77 -13.760 2.387 2.245 1.00 0.00 O ATOM 1213 CB GLU A 77 -12.252 2.743 -0.632 1.00 0.00 C ATOM 1214 CG GLU A 77 -11.435 3.447 -1.704 1.00 0.00 C ATOM 1215 CD GLU A 77 -12.287 3.969 -2.843 1.00 0.00 C ATOM 1216 OE1 GLU A 77 -13.235 3.268 -3.258 1.00 0.00 O ATOM 1217 OE2 GLU A 77 -12.009 5.083 -3.335 1.00 0.00 O ATOM 0 H GLU A 77 -10.177 3.693 0.351 1.00 0.00 H new ATOM 0 HA GLU A 77 -12.948 4.258 0.719 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -11.879 1.726 -0.514 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -13.286 2.666 -0.969 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -10.891 4.277 -1.253 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -10.691 2.756 -2.100 1.00 0.00 H new ATOM 1224 N ALA A 78 -11.618 1.726 2.321 1.00 0.00 N ATOM 1225 CA ALA A 78 -11.858 0.697 3.322 1.00 0.00 C ATOM 1226 C ALA A 78 -11.796 1.266 4.738 1.00 0.00 C ATOM 1227 O ALA A 78 -12.175 0.607 5.703 1.00 0.00 O ATOM 1228 CB ALA A 78 -10.858 -0.438 3.155 1.00 0.00 C ATOM 0 H ALA A 78 -10.642 1.826 2.043 1.00 0.00 H new ATOM 0 HA ALA A 78 -12.865 0.307 3.171 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -11.046 -1.203 3.909 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -10.965 -0.874 2.162 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -9.846 -0.052 3.275 1.00 0.00 H new ATOM 1234 N GLN A 79 -11.294 2.483 4.862 1.00 0.00 N ATOM 1235 CA GLN A 79 -11.245 3.152 6.154 1.00 0.00 C ATOM 1236 C GLN A 79 -12.458 4.056 6.348 1.00 0.00 C ATOM 1237 O GLN A 79 -13.007 4.145 7.446 1.00 0.00 O ATOM 1238 CB GLN A 79 -9.948 3.968 6.296 1.00 0.00 C ATOM 1239 CG GLN A 79 -9.808 4.669 7.639 1.00 0.00 C ATOM 1240 CD GLN A 79 -9.467 3.718 8.774 1.00 0.00 C ATOM 1241 OE1 GLN A 79 -9.324 4.135 9.923 1.00 0.00 O ATOM 1242 NE2 GLN A 79 -9.338 2.431 8.469 1.00 0.00 N ATOM 0 H GLN A 79 -10.915 3.028 4.087 1.00 0.00 H new ATOM 0 HA GLN A 79 -11.261 2.384 6.927 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -9.095 3.305 6.152 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -9.910 4.714 5.502 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -9.032 5.431 7.565 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -10.740 5.185 7.872 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -9.463 2.120 7.506 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -9.114 1.754 9.198 1.00 0.00 H new ATOM 1251 N ARG A 80 -12.900 4.693 5.271 1.00 0.00 N ATOM 1252 CA ARG A 80 -13.994 5.656 5.357 1.00 0.00 C ATOM 1253 C ARG A 80 -15.292 4.969 5.756 1.00 0.00 C ATOM 1254 O ARG A 80 -16.181 5.589 6.337 1.00 0.00 O ATOM 1255 CB ARG A 80 -14.166 6.414 4.032 1.00 0.00 C ATOM 1256 CG ARG A 80 -14.806 5.597 2.920 1.00 0.00 C ATOM 1257 CD ARG A 80 -15.309 6.485 1.795 1.00 0.00 C ATOM 1258 NE ARG A 80 -16.366 5.835 1.022 1.00 0.00 N ATOM 1259 CZ ARG A 80 -16.313 5.625 -0.294 1.00 0.00 C ATOM 1260 NH1 ARG A 80 -15.277 6.054 -1.004 1.00 0.00 N ATOM 1261 NH2 ARG A 80 -17.309 4.995 -0.900 1.00 0.00 N ATOM 0 H ARG A 80 -12.522 4.563 4.333 1.00 0.00 H new ATOM 0 HA ARG A 80 -13.741 6.381 6.131 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -14.774 7.301 4.211 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -13.189 6.760 3.696 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -14.080 4.885 2.526 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -15.635 5.016 3.325 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -15.685 7.420 2.210 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -14.480 6.740 1.135 1.00 0.00 H new ATOM 0 HE ARG A 80 -17.198 5.522 1.522 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -14.513 6.549 -0.544 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -15.245 5.889 -2.010 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -18.112 4.673 -0.360 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -17.272 4.832 -1.906 1.00 0.00 H new ATOM 1275 N ILE A 81 -15.391 3.680 5.469 1.00 0.00 N ATOM 1276 CA ILE A 81 -16.567 2.912 5.845 1.00 0.00 C ATOM 1277 C ILE A 81 -16.599 2.680 7.355 1.00 0.00 C ATOM 1278 O ILE A 81 -17.663 2.613 7.957 1.00 0.00 O ATOM 1279 CB ILE A 81 -16.632 1.558 5.111 1.00 0.00 C ATOM 1280 CG1 ILE A 81 -15.378 0.733 5.378 1.00 0.00 C ATOM 1281 CG2 ILE A 81 -16.807 1.767 3.618 1.00 0.00 C ATOM 1282 CD1 ILE A 81 -15.580 -0.326 6.433 1.00 0.00 C ATOM 0 H ILE A 81 -14.674 3.146 4.979 1.00 0.00 H new ATOM 0 HA ILE A 81 -17.437 3.498 5.549 1.00 0.00 H new ATOM 0 HB ILE A 81 -17.494 1.012 5.493 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -15.059 0.257 4.451 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -14.572 1.398 5.689 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -16.851 0.800 3.118 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -17.732 2.313 3.433 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -15.964 2.339 3.229 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -14.651 -0.878 6.577 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -15.870 0.146 7.372 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -16.365 -1.012 6.114 1.00 0.00 H new ATOM 1294 N ALA A 82 -15.423 2.572 7.963 1.00 0.00 N ATOM 1295 CA ALA A 82 -15.320 2.389 9.410 1.00 0.00 C ATOM 1296 C ALA A 82 -15.437 3.730 10.119 1.00 0.00 C ATOM 1297 O ALA A 82 -15.669 3.799 11.329 1.00 0.00 O ATOM 1298 CB ALA A 82 -14.007 1.709 9.766 1.00 0.00 C ATOM 0 H ALA A 82 -14.526 2.608 7.478 1.00 0.00 H new ATOM 0 HA ALA A 82 -16.138 1.750 9.741 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -13.945 1.580 10.847 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -13.959 0.734 9.281 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -13.174 2.325 9.426 1.00 0.00 H new ATOM 1304 N GLU A 83 -15.256 4.789 9.350 1.00 0.00 N ATOM 1305 CA GLU A 83 -15.402 6.142 9.855 1.00 0.00 C ATOM 1306 C GLU A 83 -16.863 6.574 9.801 1.00 0.00 C ATOM 1307 O GLU A 83 -17.364 7.222 10.717 1.00 0.00 O ATOM 1308 CB GLU A 83 -14.540 7.102 9.036 1.00 0.00 C ATOM 1309 CG GLU A 83 -13.042 6.944 9.267 1.00 0.00 C ATOM 1310 CD GLU A 83 -12.232 8.045 8.611 1.00 0.00 C ATOM 1311 OE1 GLU A 83 -12.816 9.100 8.267 1.00 0.00 O ATOM 1312 OE2 GLU A 83 -11.010 7.864 8.433 1.00 0.00 O ATOM 0 H GLU A 83 -15.005 4.736 8.363 1.00 0.00 H new ATOM 0 HA GLU A 83 -15.070 6.165 10.893 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -14.752 6.950 7.978 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -14.828 8.126 9.275 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -12.842 6.940 10.338 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -12.718 5.979 8.878 1.00 0.00 H new ATOM 1319 N SER A 84 -17.544 6.201 8.722 1.00 0.00 N ATOM 1320 CA SER A 84 -18.944 6.577 8.529 1.00 0.00 C ATOM 1321 C SER A 84 -19.887 5.608 9.241 1.00 0.00 C ATOM 1322 O SER A 84 -20.985 5.986 9.653 1.00 0.00 O ATOM 1323 CB SER A 84 -19.277 6.633 7.038 1.00 0.00 C ATOM 1324 OG SER A 84 -18.229 7.252 6.304 1.00 0.00 O ATOM 0 H SER A 84 -17.151 5.639 7.967 1.00 0.00 H new ATOM 0 HA SER A 84 -19.086 7.566 8.966 1.00 0.00 H new ATOM 0 HB2 SER A 84 -19.443 5.624 6.661 1.00 0.00 H new ATOM 0 HB3 SER A 84 -20.205 7.185 6.890 1.00 0.00 H new ATOM 0 HG SER A 84 -17.487 6.621 6.198 1.00 0.00 H new ATOM 1330 N ASN A 85 -19.461 4.362 9.390 1.00 0.00 N ATOM 1331 CA ASN A 85 -20.265 3.363 10.066 1.00 0.00 C ATOM 1332 C ASN A 85 -19.473 2.796 11.220 1.00 0.00 C ATOM 1333 O ASN A 85 -18.275 2.540 11.088 1.00 0.00 O ATOM 1334 CB ASN A 85 -20.667 2.220 9.127 1.00 0.00 C ATOM 1335 CG ASN A 85 -21.031 2.679 7.731 1.00 0.00 C ATOM 1336 OD1 ASN A 85 -22.092 3.260 7.510 1.00 0.00 O ATOM 1337 ND2 ASN A 85 -20.147 2.417 6.779 1.00 0.00 N ATOM 0 H ASN A 85 -18.561 4.022 9.050 1.00 0.00 H new ATOM 0 HA ASN A 85 -21.177 3.845 10.417 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -19.844 1.508 9.063 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -21.516 1.689 9.558 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -20.334 2.700 5.817 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -19.279 1.932 7.008 1.00 0.00 H new ATOM 1344 N HIS A 86 -20.126 2.585 12.343 1.00 0.00 N ATOM 1345 CA HIS A 86 -19.448 2.042 13.503 1.00 0.00 C ATOM 1346 C HIS A 86 -19.441 0.526 13.430 1.00 0.00 C ATOM 1347 O HIS A 86 -19.979 -0.164 14.299 1.00 0.00 O ATOM 1348 CB HIS A 86 -20.107 2.524 14.793 1.00 0.00 C ATOM 1349 CG HIS A 86 -19.367 3.655 15.432 1.00 0.00 C ATOM 1350 ND1 HIS A 86 -19.596 4.975 15.115 1.00 0.00 N ATOM 1351 CD2 HIS A 86 -18.383 3.662 16.363 1.00 0.00 C ATOM 1352 CE1 HIS A 86 -18.788 5.743 15.819 1.00 0.00 C ATOM 1353 NE2 HIS A 86 -18.042 4.971 16.582 1.00 0.00 N ATOM 0 H HIS A 86 -21.118 2.779 12.478 1.00 0.00 H new ATOM 0 HA HIS A 86 -18.417 2.397 13.507 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -21.128 2.839 14.579 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -20.170 1.693 15.496 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -17.949 2.798 16.843 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -18.745 6.821 15.777 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -17.326 5.295 17.232 1.00 0.00 H new ATOM 1362 N ILE A 87 -18.832 0.018 12.367 1.00 0.00 N ATOM 1363 CA ILE A 87 -18.752 -1.414 12.139 1.00 0.00 C ATOM 1364 C ILE A 87 -17.760 -2.060 13.096 1.00 0.00 C ATOM 1365 O ILE A 87 -17.285 -1.429 14.042 1.00 0.00 O ATOM 1366 CB ILE A 87 -18.339 -1.730 10.684 1.00 0.00 C ATOM 1367 CG1 ILE A 87 -17.005 -1.066 10.341 1.00 0.00 C ATOM 1368 CG2 ILE A 87 -19.420 -1.281 9.715 1.00 0.00 C ATOM 1369 CD1 ILE A 87 -16.015 -2.002 9.684 1.00 0.00 C ATOM 0 H ILE A 87 -18.384 0.583 11.646 1.00 0.00 H new ATOM 0 HA ILE A 87 -19.746 -1.825 12.318 1.00 0.00 H new ATOM 0 HB ILE A 87 -18.216 -2.809 10.592 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -17.189 -0.221 9.678 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -16.563 -0.665 11.253 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -19.113 -1.511 8.695 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -20.350 -1.803 9.940 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -19.574 -0.206 9.814 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -15.092 -1.463 9.469 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -15.801 -2.835 10.354 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -16.437 -2.384 8.754 1.00 0.00 H new ATOM 1381 N LYS A 88 -17.463 -3.322 12.865 1.00 0.00 N ATOM 1382 CA LYS A 88 -16.477 -4.022 13.659 1.00 0.00 C ATOM 1383 C LYS A 88 -15.510 -4.750 12.747 1.00 0.00 C ATOM 1384 O LYS A 88 -15.772 -5.873 12.317 1.00 0.00 O ATOM 1385 CB LYS A 88 -17.154 -4.997 14.622 1.00 0.00 C ATOM 1386 CG LYS A 88 -17.579 -4.351 15.931 1.00 0.00 C ATOM 1387 CD LYS A 88 -19.033 -3.906 15.884 1.00 0.00 C ATOM 1388 CE LYS A 88 -19.317 -2.794 16.884 1.00 0.00 C ATOM 1389 NZ LYS A 88 -18.613 -1.529 16.535 1.00 0.00 N ATOM 0 H LYS A 88 -17.893 -3.885 12.131 1.00 0.00 H new ATOM 0 HA LYS A 88 -15.921 -3.297 14.254 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -18.030 -5.428 14.136 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -16.471 -5.819 14.835 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -17.439 -5.057 16.749 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -16.941 -3.492 16.139 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -19.275 -3.561 14.879 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -19.681 -4.757 16.094 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -20.391 -2.611 16.925 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -19.010 -3.116 17.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -17.949 -1.280 17.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -18.089 -1.657 15.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -19.309 -0.765 16.420 1.00 0.00 H new ATOM 1403 N LEU A 89 -14.428 -4.067 12.409 1.00 0.00 N ATOM 1404 CA LEU A 89 -13.349 -4.649 11.619 1.00 0.00 C ATOM 1405 C LEU A 89 -12.777 -5.884 12.310 1.00 0.00 C ATOM 1406 O LEU A 89 -11.883 -5.774 13.151 1.00 0.00 O ATOM 1407 CB LEU A 89 -12.232 -3.621 11.401 1.00 0.00 C ATOM 1408 CG LEU A 89 -12.232 -2.913 10.042 1.00 0.00 C ATOM 1409 CD1 LEU A 89 -10.873 -2.287 9.773 1.00 0.00 C ATOM 1410 CD2 LEU A 89 -12.599 -3.883 8.926 1.00 0.00 C ATOM 0 H LEU A 89 -14.271 -3.094 12.673 1.00 0.00 H new ATOM 0 HA LEU A 89 -13.760 -4.944 10.654 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -12.302 -2.865 12.183 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -11.273 -4.123 11.528 1.00 0.00 H new ATOM 0 HG LEU A 89 -12.983 -2.123 10.068 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -10.888 -1.788 8.804 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -10.647 -1.560 10.553 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -10.109 -3.064 9.769 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -12.593 -3.358 7.971 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -11.874 -4.696 8.898 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -13.593 -4.290 9.110 1.00 0.00 H new ATOM 1422 N SER A 90 -13.311 -7.049 11.970 1.00 0.00 N ATOM 1423 CA SER A 90 -12.838 -8.306 12.529 1.00 0.00 C ATOM 1424 C SER A 90 -11.395 -8.549 12.117 1.00 0.00 C ATOM 1425 O SER A 90 -10.528 -8.814 12.951 1.00 0.00 O ATOM 1426 CB SER A 90 -13.731 -9.443 12.037 1.00 0.00 C ATOM 1427 OG SER A 90 -14.675 -8.963 11.090 1.00 0.00 O ATOM 0 H SER A 90 -14.078 -7.149 11.305 1.00 0.00 H new ATOM 0 HA SER A 90 -12.882 -8.261 13.617 1.00 0.00 H new ATOM 0 HB2 SER A 90 -13.119 -10.224 11.585 1.00 0.00 H new ATOM 0 HB3 SER A 90 -14.252 -9.895 12.881 1.00 0.00 H new ATOM 0 HG SER A 90 -15.238 -9.705 10.784 1.00 0.00 H new ATOM 1433 N GLY A 91 -11.146 -8.439 10.821 1.00 0.00 N ATOM 1434 CA GLY A 91 -9.809 -8.591 10.306 1.00 0.00 C ATOM 1435 C GLY A 91 -9.308 -7.318 9.667 1.00 0.00 C ATOM 1436 O GLY A 91 -9.647 -7.016 8.522 1.00 0.00 O ATOM 0 H GLY A 91 -11.856 -8.245 10.114 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -9.138 -8.880 11.115 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -9.791 -9.398 9.573 1.00 0.00 H new ATOM 1440 N SER A 92 -8.525 -6.554 10.411 1.00 0.00 N ATOM 1441 CA SER A 92 -7.916 -5.351 9.877 1.00 0.00 C ATOM 1442 C SER A 92 -6.840 -5.731 8.869 1.00 0.00 C ATOM 1443 O SER A 92 -6.598 -5.019 7.891 1.00 0.00 O ATOM 1444 CB SER A 92 -7.317 -4.524 11.014 1.00 0.00 C ATOM 1445 OG SER A 92 -7.548 -5.146 12.266 1.00 0.00 O ATOM 0 H SER A 92 -8.297 -6.747 11.386 1.00 0.00 H new ATOM 0 HA SER A 92 -8.674 -4.750 9.374 1.00 0.00 H new ATOM 0 HB2 SER A 92 -6.245 -4.403 10.856 1.00 0.00 H new ATOM 0 HB3 SER A 92 -7.755 -3.526 11.013 1.00 0.00 H new ATOM 0 HG SER A 92 -7.155 -4.601 12.979 1.00 0.00 H new ATOM 1451 N ASN A 93 -6.214 -6.880 9.106 1.00 0.00 N ATOM 1452 CA ASN A 93 -5.203 -7.408 8.204 1.00 0.00 C ATOM 1453 C ASN A 93 -5.477 -8.870 7.866 1.00 0.00 C ATOM 1454 O ASN A 93 -4.799 -9.768 8.364 1.00 0.00 O ATOM 1455 CB ASN A 93 -3.797 -7.272 8.800 1.00 0.00 C ATOM 1456 CG ASN A 93 -3.749 -7.414 10.313 1.00 0.00 C ATOM 1457 OD1 ASN A 93 -4.393 -8.289 10.893 1.00 0.00 O ATOM 1458 ND2 ASN A 93 -2.977 -6.557 10.962 1.00 0.00 N ATOM 0 H ASN A 93 -6.393 -7.465 9.922 1.00 0.00 H new ATOM 0 HA ASN A 93 -5.252 -6.819 7.288 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -3.150 -8.027 8.354 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -3.389 -6.300 8.524 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -2.900 -6.608 11.978 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -2.459 -5.846 10.446 1.00 0.00 H new ATOM 1465 N PRO A 94 -6.485 -9.144 7.030 1.00 0.00 N ATOM 1466 CA PRO A 94 -6.738 -10.498 6.549 1.00 0.00 C ATOM 1467 C PRO A 94 -5.686 -10.908 5.523 1.00 0.00 C ATOM 1468 O PRO A 94 -5.274 -12.067 5.454 1.00 0.00 O ATOM 1469 CB PRO A 94 -8.125 -10.400 5.911 1.00 0.00 C ATOM 1470 CG PRO A 94 -8.270 -8.971 5.520 1.00 0.00 C ATOM 1471 CD PRO A 94 -7.462 -8.173 6.507 1.00 0.00 C ATOM 0 HA PRO A 94 -6.693 -11.249 7.338 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -8.208 -11.056 5.045 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -8.904 -10.698 6.613 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -7.911 -8.809 4.504 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -9.317 -8.668 5.540 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -6.968 -7.327 6.028 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -8.088 -7.768 7.302 1.00 0.00 H new ATOM 1479 N TYR A 95 -5.249 -9.925 4.743 1.00 0.00 N ATOM 1480 CA TYR A 95 -4.197 -10.110 3.752 1.00 0.00 C ATOM 1481 C TYR A 95 -3.206 -8.961 3.882 1.00 0.00 C ATOM 1482 O TYR A 95 -1.999 -9.116 3.705 1.00 0.00 O ATOM 1483 CB TYR A 95 -4.767 -10.126 2.324 1.00 0.00 C ATOM 1484 CG TYR A 95 -6.268 -10.299 2.238 1.00 0.00 C ATOM 1485 CD1 TYR A 95 -6.847 -11.554 2.340 1.00 0.00 C ATOM 1486 CD2 TYR A 95 -7.098 -9.211 2.029 1.00 0.00 C ATOM 1487 CE1 TYR A 95 -8.217 -11.717 2.239 1.00 0.00 C ATOM 1488 CE2 TYR A 95 -8.462 -9.362 1.924 1.00 0.00 C ATOM 1489 CZ TYR A 95 -9.021 -10.618 2.031 1.00 0.00 C ATOM 1490 OH TYR A 95 -10.384 -10.780 1.919 1.00 0.00 O ATOM 0 H TYR A 95 -5.616 -8.974 4.781 1.00 0.00 H new ATOM 0 HA TYR A 95 -3.711 -11.069 3.932 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -4.495 -9.194 1.829 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -4.291 -10.933 1.767 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -6.219 -12.418 2.501 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -6.667 -8.224 1.947 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -8.654 -12.701 2.323 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -9.092 -8.500 1.759 1.00 0.00 H new ATOM 0 HH TYR A 95 -10.838 -9.992 2.284 1.00 0.00 H new ATOM 1500 N THR A 96 -3.758 -7.801 4.190 1.00 0.00 N ATOM 1501 CA THR A 96 -3.012 -6.574 4.327 1.00 0.00 C ATOM 1502 C THR A 96 -2.384 -6.427 5.707 1.00 0.00 C ATOM 1503 O THR A 96 -2.814 -5.587 6.500 1.00 0.00 O ATOM 1504 CB THR A 96 -3.977 -5.409 4.094 1.00 0.00 C ATOM 1505 OG1 THR A 96 -5.270 -5.923 3.723 1.00 0.00 O ATOM 1506 CG2 THR A 96 -3.467 -4.511 3.003 1.00 0.00 C ATOM 0 H THR A 96 -4.758 -7.689 4.354 1.00 0.00 H new ATOM 0 HA THR A 96 -2.200 -6.582 3.600 1.00 0.00 H new ATOM 0 HB THR A 96 -4.057 -4.832 5.016 1.00 0.00 H new ATOM 0 HG1 THR A 96 -5.465 -5.678 2.794 1.00 0.00 H new ATOM 0 HG21 THR A 96 -4.166 -3.689 2.852 1.00 0.00 H new ATOM 0 HG22 THR A 96 -2.493 -4.112 3.286 1.00 0.00 H new ATOM 0 HG23 THR A 96 -3.371 -5.080 2.078 1.00 0.00 H new ATOM 1514 N THR A 97 -1.354 -7.214 5.992 1.00 0.00 N ATOM 1515 CA THR A 97 -0.621 -7.073 7.244 1.00 0.00 C ATOM 1516 C THR A 97 0.386 -5.932 7.151 1.00 0.00 C ATOM 1517 O THR A 97 1.543 -6.031 7.572 1.00 0.00 O ATOM 1518 CB THR A 97 0.087 -8.369 7.635 1.00 0.00 C ATOM 1519 OG1 THR A 97 -0.668 -9.499 7.176 1.00 0.00 O ATOM 1520 CG2 THR A 97 0.231 -8.406 9.137 1.00 0.00 C ATOM 0 H THR A 97 -1.009 -7.952 5.378 1.00 0.00 H new ATOM 0 HA THR A 97 -1.349 -6.842 8.022 1.00 0.00 H new ATOM 0 HB THR A 97 1.073 -8.409 7.173 1.00 0.00 H new ATOM 0 HG1 THR A 97 -0.206 -10.326 7.429 1.00 0.00 H new ATOM 0 HG21 THR A 97 0.735 -9.326 9.432 1.00 0.00 H new ATOM 0 HG22 THR A 97 0.818 -7.549 9.467 1.00 0.00 H new ATOM 0 HG23 THR A 97 -0.756 -8.369 9.598 1.00 0.00 H new ATOM 1528 N VAL A 98 -0.082 -4.858 6.566 1.00 0.00 N ATOM 1529 CA VAL A 98 0.705 -3.668 6.333 1.00 0.00 C ATOM 1530 C VAL A 98 -0.131 -2.424 6.648 1.00 0.00 C ATOM 1531 O VAL A 98 -1.057 -2.083 5.909 1.00 0.00 O ATOM 1532 CB VAL A 98 1.234 -3.633 4.873 1.00 0.00 C ATOM 1533 CG1 VAL A 98 0.235 -4.265 3.915 1.00 0.00 C ATOM 1534 CG2 VAL A 98 1.566 -2.220 4.426 1.00 0.00 C ATOM 0 H VAL A 98 -1.042 -4.783 6.230 1.00 0.00 H new ATOM 0 HA VAL A 98 1.571 -3.681 6.995 1.00 0.00 H new ATOM 0 HB VAL A 98 2.155 -4.216 4.854 1.00 0.00 H new ATOM 0 HG11 VAL A 98 0.630 -4.227 2.900 1.00 0.00 H new ATOM 0 HG12 VAL A 98 0.065 -5.303 4.200 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -0.707 -3.718 3.958 1.00 0.00 H new ATOM 0 HG21 VAL A 98 1.933 -2.240 3.400 1.00 0.00 H new ATOM 0 HG22 VAL A 98 0.670 -1.601 4.480 1.00 0.00 H new ATOM 0 HG23 VAL A 98 2.334 -1.803 5.078 1.00 0.00 H new ATOM 1544 N THR A 99 0.166 -1.768 7.757 1.00 0.00 N ATOM 1545 CA THR A 99 -0.536 -0.551 8.126 1.00 0.00 C ATOM 1546 C THR A 99 0.030 0.640 7.357 1.00 0.00 C ATOM 1547 O THR A 99 1.187 0.614 6.928 1.00 0.00 O ATOM 1548 CB THR A 99 -0.420 -0.302 9.641 1.00 0.00 C ATOM 1549 OG1 THR A 99 0.525 -1.215 10.210 1.00 0.00 O ATOM 1550 CG2 THR A 99 -1.767 -0.475 10.325 1.00 0.00 C ATOM 0 H THR A 99 0.888 -2.058 8.417 1.00 0.00 H new ATOM 0 HA THR A 99 -1.589 -0.669 7.870 1.00 0.00 H new ATOM 0 HB THR A 99 -0.082 0.723 9.794 1.00 0.00 H new ATOM 0 HG1 THR A 99 0.374 -1.283 11.176 1.00 0.00 H new ATOM 0 HG21 THR A 99 -1.658 -0.294 11.394 1.00 0.00 H new ATOM 0 HG22 THR A 99 -2.481 0.235 9.907 1.00 0.00 H new ATOM 0 HG23 THR A 99 -2.129 -1.490 10.164 1.00 0.00 H new ATOM 1558 N PRO A 100 -0.781 1.691 7.150 1.00 0.00 N ATOM 1559 CA PRO A 100 -0.353 2.899 6.436 1.00 0.00 C ATOM 1560 C PRO A 100 0.922 3.494 7.023 1.00 0.00 C ATOM 1561 O PRO A 100 1.803 3.942 6.294 1.00 0.00 O ATOM 1562 CB PRO A 100 -1.528 3.871 6.615 1.00 0.00 C ATOM 1563 CG PRO A 100 -2.399 3.262 7.663 1.00 0.00 C ATOM 1564 CD PRO A 100 -2.182 1.783 7.573 1.00 0.00 C ATOM 0 HA PRO A 100 -0.120 2.688 5.392 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -1.178 4.857 6.921 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -2.073 4.003 5.680 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -2.137 3.635 8.653 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -3.446 3.514 7.494 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -2.350 1.290 8.530 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -2.855 1.318 6.852 1.00 0.00 H new ATOM 1572 N GLN A 101 1.019 3.478 8.346 1.00 0.00 N ATOM 1573 CA GLN A 101 2.193 3.996 9.029 1.00 0.00 C ATOM 1574 C GLN A 101 3.387 3.083 8.790 1.00 0.00 C ATOM 1575 O GLN A 101 4.519 3.543 8.669 1.00 0.00 O ATOM 1576 CB GLN A 101 1.926 4.134 10.529 1.00 0.00 C ATOM 1577 CG GLN A 101 0.958 5.256 10.874 1.00 0.00 C ATOM 1578 CD GLN A 101 -0.475 4.774 11.011 1.00 0.00 C ATOM 1579 OE1 GLN A 101 -0.838 3.709 10.507 1.00 0.00 O ATOM 1580 NE2 GLN A 101 -1.295 5.551 11.701 1.00 0.00 N ATOM 0 H GLN A 101 0.297 3.111 8.966 1.00 0.00 H new ATOM 0 HA GLN A 101 2.418 4.983 8.626 1.00 0.00 H new ATOM 0 HB2 GLN A 101 1.528 3.192 10.907 1.00 0.00 H new ATOM 0 HB3 GLN A 101 2.871 4.309 11.043 1.00 0.00 H new ATOM 0 HG2 GLN A 101 1.270 5.725 11.807 1.00 0.00 H new ATOM 0 HG3 GLN A 101 1.007 6.022 10.101 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -0.953 6.425 12.101 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -2.268 5.276 11.832 1.00 0.00 H new ATOM 1589 N ILE A 102 3.119 1.792 8.694 1.00 0.00 N ATOM 1590 CA ILE A 102 4.161 0.811 8.447 1.00 0.00 C ATOM 1591 C ILE A 102 4.778 1.028 7.068 1.00 0.00 C ATOM 1592 O ILE A 102 5.997 1.015 6.924 1.00 0.00 O ATOM 1593 CB ILE A 102 3.613 -0.633 8.590 1.00 0.00 C ATOM 1594 CG1 ILE A 102 3.999 -1.215 9.952 1.00 0.00 C ATOM 1595 CG2 ILE A 102 4.108 -1.552 7.476 1.00 0.00 C ATOM 1596 CD1 ILE A 102 3.508 -0.401 11.128 1.00 0.00 C ATOM 0 H ILE A 102 2.183 1.397 8.784 1.00 0.00 H new ATOM 0 HA ILE A 102 4.941 0.944 9.197 1.00 0.00 H new ATOM 0 HB ILE A 102 2.528 -0.573 8.511 1.00 0.00 H new ATOM 0 HG12 ILE A 102 3.599 -2.226 10.030 1.00 0.00 H new ATOM 0 HG13 ILE A 102 5.085 -1.296 10.007 1.00 0.00 H new ATOM 0 HG21 ILE A 102 3.698 -2.552 7.620 1.00 0.00 H new ATOM 0 HG22 ILE A 102 3.784 -1.162 6.511 1.00 0.00 H new ATOM 0 HG23 ILE A 102 5.197 -1.600 7.501 1.00 0.00 H new ATOM 0 HD11 ILE A 102 3.821 -0.878 12.057 1.00 0.00 H new ATOM 0 HD12 ILE A 102 3.928 0.603 11.076 1.00 0.00 H new ATOM 0 HD13 ILE A 102 2.420 -0.341 11.100 1.00 0.00 H new ATOM 1608 N ILE A 103 3.934 1.260 6.066 1.00 0.00 N ATOM 1609 CA ILE A 103 4.415 1.435 4.701 1.00 0.00 C ATOM 1610 C ILE A 103 5.024 2.826 4.496 1.00 0.00 C ATOM 1611 O ILE A 103 6.029 2.979 3.803 1.00 0.00 O ATOM 1612 CB ILE A 103 3.298 1.160 3.659 1.00 0.00 C ATOM 1613 CG1 ILE A 103 3.906 0.632 2.359 1.00 0.00 C ATOM 1614 CG2 ILE A 103 2.455 2.398 3.380 1.00 0.00 C ATOM 1615 CD1 ILE A 103 3.032 -0.372 1.644 1.00 0.00 C ATOM 0 H ILE A 103 2.922 1.331 6.173 1.00 0.00 H new ATOM 0 HA ILE A 103 5.202 0.698 4.543 1.00 0.00 H new ATOM 0 HB ILE A 103 2.637 0.404 4.083 1.00 0.00 H new ATOM 0 HG12 ILE A 103 4.100 1.472 1.692 1.00 0.00 H new ATOM 0 HG13 ILE A 103 4.869 0.171 2.579 1.00 0.00 H new ATOM 0 HG21 ILE A 103 1.687 2.157 2.645 1.00 0.00 H new ATOM 0 HG22 ILE A 103 1.982 2.732 4.304 1.00 0.00 H new ATOM 0 HG23 ILE A 103 3.092 3.192 2.991 1.00 0.00 H new ATOM 0 HD11 ILE A 103 3.528 -0.702 0.731 1.00 0.00 H new ATOM 0 HD12 ILE A 103 2.858 -1.230 2.293 1.00 0.00 H new ATOM 0 HD13 ILE A 103 2.078 0.091 1.391 1.00 0.00 H new ATOM 1627 N ASN A 104 4.439 3.834 5.133 1.00 0.00 N ATOM 1628 CA ASN A 104 4.893 5.209 4.955 1.00 0.00 C ATOM 1629 C ASN A 104 6.194 5.461 5.711 1.00 0.00 C ATOM 1630 O ASN A 104 7.136 6.035 5.167 1.00 0.00 O ATOM 1631 CB ASN A 104 3.816 6.198 5.408 1.00 0.00 C ATOM 1632 CG ASN A 104 3.452 7.190 4.317 1.00 0.00 C ATOM 1633 OD1 ASN A 104 4.312 7.900 3.800 1.00 0.00 O ATOM 1634 ND2 ASN A 104 2.173 7.252 3.965 1.00 0.00 N ATOM 0 H ASN A 104 3.653 3.727 5.774 1.00 0.00 H new ATOM 0 HA ASN A 104 5.081 5.362 3.892 1.00 0.00 H new ATOM 0 HB2 ASN A 104 2.924 5.648 5.709 1.00 0.00 H new ATOM 0 HB3 ASN A 104 4.168 6.739 6.286 1.00 0.00 H new ATOM 0 HD21 ASN A 104 1.874 7.906 3.242 1.00 0.00 H new ATOM 0 HD22 ASN A 104 1.489 6.646 4.418 1.00 0.00 H new ATOM 1641 N SER A 105 6.254 5.014 6.960 1.00 0.00 N ATOM 1642 CA SER A 105 7.452 5.207 7.770 1.00 0.00 C ATOM 1643 C SER A 105 8.610 4.344 7.259 1.00 0.00 C ATOM 1644 O SER A 105 9.777 4.665 7.483 1.00 0.00 O ATOM 1645 CB SER A 105 7.164 4.898 9.239 1.00 0.00 C ATOM 1646 OG SER A 105 6.347 5.902 9.826 1.00 0.00 O ATOM 0 H SER A 105 5.496 4.520 7.431 1.00 0.00 H new ATOM 0 HA SER A 105 7.747 6.253 7.686 1.00 0.00 H new ATOM 0 HB2 SER A 105 6.669 3.930 9.319 1.00 0.00 H new ATOM 0 HB3 SER A 105 8.103 4.823 9.788 1.00 0.00 H new ATOM 0 HG SER A 105 6.177 5.678 10.765 1.00 0.00 H new ATOM 1652 N LYS A 106 8.289 3.256 6.562 1.00 0.00 N ATOM 1653 CA LYS A 106 9.320 2.422 5.959 1.00 0.00 C ATOM 1654 C LYS A 106 9.883 3.114 4.725 1.00 0.00 C ATOM 1655 O LYS A 106 11.086 3.062 4.471 1.00 0.00 O ATOM 1656 CB LYS A 106 8.784 1.033 5.605 1.00 0.00 C ATOM 1657 CG LYS A 106 9.084 -0.013 6.669 1.00 0.00 C ATOM 1658 CD LYS A 106 9.258 -1.402 6.071 1.00 0.00 C ATOM 1659 CE LYS A 106 9.177 -2.476 7.143 1.00 0.00 C ATOM 1660 NZ LYS A 106 10.436 -3.260 7.240 1.00 0.00 N ATOM 0 H LYS A 106 7.334 2.936 6.403 1.00 0.00 H new ATOM 0 HA LYS A 106 10.119 2.284 6.688 1.00 0.00 H new ATOM 0 HB2 LYS A 106 7.706 1.093 5.457 1.00 0.00 H new ATOM 0 HB3 LYS A 106 9.218 0.713 4.658 1.00 0.00 H new ATOM 0 HG2 LYS A 106 9.990 0.266 7.206 1.00 0.00 H new ATOM 0 HG3 LYS A 106 8.274 -0.031 7.398 1.00 0.00 H new ATOM 0 HD2 LYS A 106 8.488 -1.576 5.319 1.00 0.00 H new ATOM 0 HD3 LYS A 106 10.220 -1.464 5.562 1.00 0.00 H new ATOM 0 HE2 LYS A 106 8.963 -2.012 8.106 1.00 0.00 H new ATOM 0 HE3 LYS A 106 8.347 -3.148 6.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 10.285 -4.084 7.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 10.717 -3.583 6.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 11.187 -2.662 7.639 1.00 0.00 H new ATOM 1674 N TRP A 107 9.008 3.774 3.966 1.00 0.00 N ATOM 1675 CA TRP A 107 9.445 4.617 2.860 1.00 0.00 C ATOM 1676 C TRP A 107 10.355 5.724 3.385 1.00 0.00 C ATOM 1677 O TRP A 107 11.391 6.025 2.795 1.00 0.00 O ATOM 1678 CB TRP A 107 8.244 5.227 2.134 1.00 0.00 C ATOM 1679 CG TRP A 107 8.633 6.229 1.088 1.00 0.00 C ATOM 1680 CD1 TRP A 107 8.743 7.581 1.237 1.00 0.00 C ATOM 1681 CD2 TRP A 107 8.972 5.947 -0.266 1.00 0.00 C ATOM 1682 NE1 TRP A 107 9.139 8.152 0.053 1.00 0.00 N ATOM 1683 CE2 TRP A 107 9.280 7.169 -0.885 1.00 0.00 C ATOM 1684 CE3 TRP A 107 9.046 4.778 -1.011 1.00 0.00 C ATOM 1685 CZ2 TRP A 107 9.658 7.253 -2.219 1.00 0.00 C ATOM 1686 CZ3 TRP A 107 9.419 4.860 -2.339 1.00 0.00 C ATOM 1687 CH2 TRP A 107 9.723 6.091 -2.929 1.00 0.00 C ATOM 0 H TRP A 107 7.997 3.740 4.098 1.00 0.00 H new ATOM 0 HA TRP A 107 9.997 4.001 2.150 1.00 0.00 H new ATOM 0 HB2 TRP A 107 7.666 4.429 1.667 1.00 0.00 H new ATOM 0 HB3 TRP A 107 7.592 5.707 2.864 1.00 0.00 H new ATOM 0 HD1 TRP A 107 8.547 8.122 2.151 1.00 0.00 H new ATOM 0 HE1 TRP A 107 9.301 9.147 -0.101 1.00 0.00 H new ATOM 0 HE3 TRP A 107 8.817 3.823 -0.561 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 9.892 8.203 -2.676 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 9.477 3.959 -2.931 1.00 0.00 H new ATOM 0 HH2 TRP A 107 10.015 6.122 -3.968 1.00 0.00 H new ATOM 1698 N GLU A 108 9.963 6.310 4.510 1.00 0.00 N ATOM 1699 CA GLU A 108 10.751 7.354 5.153 1.00 0.00 C ATOM 1700 C GLU A 108 12.112 6.815 5.584 1.00 0.00 C ATOM 1701 O GLU A 108 13.113 7.531 5.544 1.00 0.00 O ATOM 1702 CB GLU A 108 9.997 7.917 6.354 1.00 0.00 C ATOM 1703 CG GLU A 108 9.640 9.387 6.202 1.00 0.00 C ATOM 1704 CD GLU A 108 10.361 10.261 7.204 1.00 0.00 C ATOM 1705 OE1 GLU A 108 9.830 10.455 8.317 1.00 0.00 O ATOM 1706 OE2 GLU A 108 11.464 10.754 6.890 1.00 0.00 O ATOM 0 H GLU A 108 9.098 6.078 4.998 1.00 0.00 H new ATOM 0 HA GLU A 108 10.915 8.156 4.433 1.00 0.00 H new ATOM 0 HB2 GLU A 108 9.083 7.342 6.504 1.00 0.00 H new ATOM 0 HB3 GLU A 108 10.605 7.788 7.249 1.00 0.00 H new ATOM 0 HG2 GLU A 108 9.887 9.716 5.193 1.00 0.00 H new ATOM 0 HG3 GLU A 108 8.564 9.511 6.323 1.00 0.00 H new ATOM 1713 N LYS A 109 12.146 5.551 5.987 1.00 0.00 N ATOM 1714 CA LYS A 109 13.398 4.897 6.335 1.00 0.00 C ATOM 1715 C LYS A 109 14.272 4.741 5.094 1.00 0.00 C ATOM 1716 O LYS A 109 15.489 4.908 5.152 1.00 0.00 O ATOM 1717 CB LYS A 109 13.137 3.530 6.970 1.00 0.00 C ATOM 1718 CG LYS A 109 14.295 3.016 7.810 1.00 0.00 C ATOM 1719 CD LYS A 109 14.215 3.519 9.243 1.00 0.00 C ATOM 1720 CE LYS A 109 14.636 2.445 10.231 1.00 0.00 C ATOM 1721 NZ LYS A 109 15.324 3.019 11.419 1.00 0.00 N ATOM 0 H LYS A 109 11.320 4.960 6.080 1.00 0.00 H new ATOM 0 HA LYS A 109 13.920 5.520 7.061 1.00 0.00 H new ATOM 0 HB2 LYS A 109 12.246 3.594 7.595 1.00 0.00 H new ATOM 0 HB3 LYS A 109 12.923 2.808 6.182 1.00 0.00 H new ATOM 0 HG2 LYS A 109 14.292 1.926 7.806 1.00 0.00 H new ATOM 0 HG3 LYS A 109 15.238 3.334 7.364 1.00 0.00 H new ATOM 0 HD2 LYS A 109 14.855 4.394 9.360 1.00 0.00 H new ATOM 0 HD3 LYS A 109 13.196 3.838 9.462 1.00 0.00 H new ATOM 0 HE2 LYS A 109 13.758 1.887 10.555 1.00 0.00 H new ATOM 0 HE3 LYS A 109 15.299 1.736 9.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 15.594 2.252 12.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 16.176 3.530 11.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 14.683 3.676 11.908 1.00 0.00 H new ATOM 1735 N VAL A 110 13.639 4.426 3.969 1.00 0.00 N ATOM 1736 CA VAL A 110 14.341 4.337 2.694 1.00 0.00 C ATOM 1737 C VAL A 110 14.943 5.694 2.328 1.00 0.00 C ATOM 1738 O VAL A 110 16.109 5.782 1.946 1.00 0.00 O ATOM 1739 CB VAL A 110 13.402 3.856 1.563 1.00 0.00 C ATOM 1740 CG1 VAL A 110 14.069 3.983 0.199 1.00 0.00 C ATOM 1741 CG2 VAL A 110 12.962 2.420 1.809 1.00 0.00 C ATOM 0 H VAL A 110 12.640 4.228 3.914 1.00 0.00 H new ATOM 0 HA VAL A 110 15.140 3.604 2.805 1.00 0.00 H new ATOM 0 HB VAL A 110 12.520 4.497 1.566 1.00 0.00 H new ATOM 0 HG11 VAL A 110 13.384 3.637 -0.575 1.00 0.00 H new ATOM 0 HG12 VAL A 110 14.327 5.026 0.016 1.00 0.00 H new ATOM 0 HG13 VAL A 110 14.975 3.377 0.179 1.00 0.00 H new ATOM 0 HG21 VAL A 110 12.302 2.099 1.003 1.00 0.00 H new ATOM 0 HG22 VAL A 110 13.838 1.772 1.841 1.00 0.00 H new ATOM 0 HG23 VAL A 110 12.431 2.360 2.759 1.00 0.00 H new ATOM 1751 N GLN A 111 14.152 6.754 2.488 1.00 0.00 N ATOM 1752 CA GLN A 111 14.602 8.115 2.189 1.00 0.00 C ATOM 1753 C GLN A 111 15.733 8.535 3.115 1.00 0.00 C ATOM 1754 O GLN A 111 16.482 9.459 2.816 1.00 0.00 O ATOM 1755 CB GLN A 111 13.450 9.108 2.323 1.00 0.00 C ATOM 1756 CG GLN A 111 12.232 8.734 1.509 1.00 0.00 C ATOM 1757 CD GLN A 111 11.999 9.672 0.343 1.00 0.00 C ATOM 1758 OE1 GLN A 111 11.724 10.858 0.527 1.00 0.00 O ATOM 1759 NE2 GLN A 111 12.104 9.148 -0.866 1.00 0.00 N ATOM 0 H GLN A 111 13.191 6.697 2.825 1.00 0.00 H new ATOM 0 HA GLN A 111 14.965 8.118 1.161 1.00 0.00 H new ATOM 0 HB2 GLN A 111 13.166 9.183 3.373 1.00 0.00 H new ATOM 0 HB3 GLN A 111 13.794 10.095 2.014 1.00 0.00 H new ATOM 0 HG2 GLN A 111 12.348 7.717 1.134 1.00 0.00 H new ATOM 0 HG3 GLN A 111 11.354 8.737 2.154 1.00 0.00 H new ATOM 0 HE21 GLN A 111 12.334 8.160 -0.976 1.00 0.00 H new ATOM 0 HE22 GLN A 111 11.955 9.731 -1.689 1.00 0.00 H new ATOM 1768 N GLN A 112 15.839 7.861 4.246 1.00 0.00 N ATOM 1769 CA GLN A 112 16.895 8.147 5.208 1.00 0.00 C ATOM 1770 C GLN A 112 18.183 7.410 4.836 1.00 0.00 C ATOM 1771 O GLN A 112 19.285 7.866 5.145 1.00 0.00 O ATOM 1772 CB GLN A 112 16.434 7.776 6.628 1.00 0.00 C ATOM 1773 CG GLN A 112 17.221 6.644 7.275 1.00 0.00 C ATOM 1774 CD GLN A 112 17.808 7.040 8.615 1.00 0.00 C ATOM 1775 OE1 GLN A 112 17.124 7.023 9.634 1.00 0.00 O ATOM 1776 NE2 GLN A 112 19.081 7.402 8.622 1.00 0.00 N ATOM 0 H GLN A 112 15.207 7.110 4.524 1.00 0.00 H new ATOM 0 HA GLN A 112 17.107 9.216 5.185 1.00 0.00 H new ATOM 0 HB2 GLN A 112 16.507 8.660 7.262 1.00 0.00 H new ATOM 0 HB3 GLN A 112 15.381 7.495 6.592 1.00 0.00 H new ATOM 0 HG2 GLN A 112 16.568 5.781 7.408 1.00 0.00 H new ATOM 0 HG3 GLN A 112 18.025 6.335 6.606 1.00 0.00 H new ATOM 0 HE21 GLN A 112 19.616 7.403 7.753 1.00 0.00 H new ATOM 0 HE22 GLN A 112 19.527 7.680 9.496 1.00 0.00 H new ATOM 1785 N LEU A 113 18.038 6.278 4.159 1.00 0.00 N ATOM 1786 CA LEU A 113 19.189 5.472 3.772 1.00 0.00 C ATOM 1787 C LEU A 113 19.680 5.848 2.380 1.00 0.00 C ATOM 1788 O LEU A 113 20.809 5.528 2.004 1.00 0.00 O ATOM 1789 CB LEU A 113 18.842 3.985 3.827 1.00 0.00 C ATOM 1790 CG LEU A 113 18.935 3.360 5.219 1.00 0.00 C ATOM 1791 CD1 LEU A 113 17.856 2.309 5.408 1.00 0.00 C ATOM 1792 CD2 LEU A 113 20.315 2.758 5.442 1.00 0.00 C ATOM 0 H LEU A 113 17.138 5.898 3.867 1.00 0.00 H new ATOM 0 HA LEU A 113 19.993 5.673 4.481 1.00 0.00 H new ATOM 0 HB2 LEU A 113 17.829 3.848 3.449 1.00 0.00 H new ATOM 0 HB3 LEU A 113 19.509 3.445 3.155 1.00 0.00 H new ATOM 0 HG LEU A 113 18.779 4.145 5.959 1.00 0.00 H new ATOM 0 HD11 LEU A 113 17.940 1.877 6.405 1.00 0.00 H new ATOM 0 HD12 LEU A 113 16.875 2.770 5.294 1.00 0.00 H new ATOM 0 HD13 LEU A 113 17.977 1.525 4.661 1.00 0.00 H new ATOM 0 HD21 LEU A 113 20.363 2.318 6.438 1.00 0.00 H new ATOM 0 HD22 LEU A 113 20.500 1.987 4.695 1.00 0.00 H new ATOM 0 HD23 LEU A 113 21.071 3.538 5.353 1.00 0.00 H new ATOM 1804 N VAL A 114 18.828 6.531 1.619 1.00 0.00 N ATOM 1805 CA VAL A 114 19.198 7.013 0.294 1.00 0.00 C ATOM 1806 C VAL A 114 20.450 7.903 0.355 1.00 0.00 C ATOM 1807 O VAL A 114 21.426 7.625 -0.342 1.00 0.00 O ATOM 1808 CB VAL A 114 18.033 7.775 -0.387 1.00 0.00 C ATOM 1809 CG1 VAL A 114 18.529 8.641 -1.535 1.00 0.00 C ATOM 1810 CG2 VAL A 114 16.983 6.799 -0.890 1.00 0.00 C ATOM 0 H VAL A 114 17.875 6.763 1.900 1.00 0.00 H new ATOM 0 HA VAL A 114 19.425 6.135 -0.310 1.00 0.00 H new ATOM 0 HB VAL A 114 17.585 8.429 0.361 1.00 0.00 H new ATOM 0 HG11 VAL A 114 17.686 9.161 -1.989 1.00 0.00 H new ATOM 0 HG12 VAL A 114 19.244 9.371 -1.157 1.00 0.00 H new ATOM 0 HG13 VAL A 114 19.013 8.012 -2.282 1.00 0.00 H new ATOM 0 HG21 VAL A 114 16.172 7.350 -1.366 1.00 0.00 H new ATOM 0 HG22 VAL A 114 17.434 6.121 -1.614 1.00 0.00 H new ATOM 0 HG23 VAL A 114 16.589 6.225 -0.052 1.00 0.00 H new ATOM 1820 N PRO A 115 20.456 8.969 1.198 1.00 0.00 N ATOM 1821 CA PRO A 115 21.622 9.850 1.348 1.00 0.00 C ATOM 1822 C PRO A 115 22.812 9.128 1.965 1.00 0.00 C ATOM 1823 O PRO A 115 23.961 9.516 1.754 1.00 0.00 O ATOM 1824 CB PRO A 115 21.135 10.959 2.291 1.00 0.00 C ATOM 1825 CG PRO A 115 19.653 10.865 2.273 1.00 0.00 C ATOM 1826 CD PRO A 115 19.341 9.417 2.047 1.00 0.00 C ATOM 0 HA PRO A 115 21.968 10.220 0.383 1.00 0.00 H new ATOM 0 HB2 PRO A 115 21.526 10.818 3.299 1.00 0.00 H new ATOM 0 HB3 PRO A 115 21.471 11.939 1.953 1.00 0.00 H new ATOM 0 HG2 PRO A 115 19.227 11.215 3.213 1.00 0.00 H new ATOM 0 HG3 PRO A 115 19.231 11.485 1.482 1.00 0.00 H new ATOM 0 HD2 PRO A 115 19.298 8.862 2.984 1.00 0.00 H new ATOM 0 HD3 PRO A 115 18.378 9.283 1.553 1.00 0.00 H new ATOM 1834 N LYS A 116 22.534 8.077 2.727 1.00 0.00 N ATOM 1835 CA LYS A 116 23.587 7.271 3.329 1.00 0.00 C ATOM 1836 C LYS A 116 24.387 6.574 2.236 1.00 0.00 C ATOM 1837 O LYS A 116 25.608 6.708 2.156 1.00 0.00 O ATOM 1838 CB LYS A 116 22.988 6.236 4.284 1.00 0.00 C ATOM 1839 CG LYS A 116 22.816 6.740 5.707 1.00 0.00 C ATOM 1840 CD LYS A 116 23.710 5.984 6.674 1.00 0.00 C ATOM 1841 CE LYS A 116 24.593 6.929 7.469 1.00 0.00 C ATOM 1842 NZ LYS A 116 24.854 6.429 8.845 1.00 0.00 N ATOM 0 H LYS A 116 21.588 7.764 2.942 1.00 0.00 H new ATOM 0 HA LYS A 116 24.249 7.923 3.899 1.00 0.00 H new ATOM 0 HB2 LYS A 116 22.018 5.921 3.901 1.00 0.00 H new ATOM 0 HB3 LYS A 116 23.628 5.354 4.296 1.00 0.00 H new ATOM 0 HG2 LYS A 116 23.050 7.804 5.749 1.00 0.00 H new ATOM 0 HG3 LYS A 116 21.775 6.630 6.010 1.00 0.00 H new ATOM 0 HD2 LYS A 116 23.095 5.397 7.357 1.00 0.00 H new ATOM 0 HD3 LYS A 116 24.333 5.280 6.121 1.00 0.00 H new ATOM 0 HE2 LYS A 116 25.541 7.064 6.947 1.00 0.00 H new ATOM 0 HE3 LYS A 116 24.117 7.908 7.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 25.461 7.106 9.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 23.953 6.325 9.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 25.332 5.507 8.794 1.00 0.00 H new ATOM 1856 N ARG A 117 23.678 5.854 1.378 1.00 0.00 N ATOM 1857 CA ARG A 117 24.296 5.170 0.252 1.00 0.00 C ATOM 1858 C ARG A 117 24.801 6.177 -0.773 1.00 0.00 C ATOM 1859 O ARG A 117 25.808 5.944 -1.437 1.00 0.00 O ATOM 1860 CB ARG A 117 23.291 4.194 -0.377 1.00 0.00 C ATOM 1861 CG ARG A 117 23.620 3.795 -1.805 1.00 0.00 C ATOM 1862 CD ARG A 117 24.075 2.347 -1.898 1.00 0.00 C ATOM 1863 NE ARG A 117 23.521 1.677 -3.080 1.00 0.00 N ATOM 1864 CZ ARG A 117 23.239 0.374 -3.133 1.00 0.00 C ATOM 1865 NH1 ARG A 117 23.551 -0.414 -2.117 1.00 0.00 N ATOM 1866 NH2 ARG A 117 22.665 -0.143 -4.217 1.00 0.00 N ATOM 0 H ARG A 117 22.668 5.728 1.442 1.00 0.00 H new ATOM 0 HA ARG A 117 25.155 4.600 0.607 1.00 0.00 H new ATOM 0 HB2 ARG A 117 23.242 3.295 0.237 1.00 0.00 H new ATOM 0 HB3 ARG A 117 22.300 4.648 -0.358 1.00 0.00 H new ATOM 0 HG2 ARG A 117 22.742 3.941 -2.434 1.00 0.00 H new ATOM 0 HG3 ARG A 117 24.402 4.447 -2.193 1.00 0.00 H new ATOM 0 HD2 ARG A 117 25.164 2.310 -1.936 1.00 0.00 H new ATOM 0 HD3 ARG A 117 23.769 1.811 -0.999 1.00 0.00 H new ATOM 0 HE ARG A 117 23.341 2.241 -3.911 1.00 0.00 H new ATOM 0 HH11 ARG A 117 24.008 -0.026 -1.292 1.00 0.00 H new ATOM 0 HH12 ARG A 117 23.335 -1.410 -2.159 1.00 0.00 H new ATOM 0 HH21 ARG A 117 22.440 0.457 -5.010 1.00 0.00 H new ATOM 0 HH22 ARG A 117 22.451 -1.140 -4.254 1.00 0.00 H new ATOM 1880 N ASP A 118 24.111 7.304 -0.874 1.00 0.00 N ATOM 1881 CA ASP A 118 24.501 8.370 -1.794 1.00 0.00 C ATOM 1882 C ASP A 118 25.881 8.896 -1.419 1.00 0.00 C ATOM 1883 O ASP A 118 26.683 9.253 -2.279 1.00 0.00 O ATOM 1884 CB ASP A 118 23.480 9.512 -1.732 1.00 0.00 C ATOM 1885 CG ASP A 118 22.753 9.729 -3.042 1.00 0.00 C ATOM 1886 OD1 ASP A 118 23.406 10.024 -4.058 1.00 0.00 O ATOM 1887 OD2 ASP A 118 21.508 9.577 -3.060 1.00 0.00 O ATOM 0 H ASP A 118 23.274 7.507 -0.328 1.00 0.00 H new ATOM 0 HA ASP A 118 24.531 7.971 -2.808 1.00 0.00 H new ATOM 0 HB2 ASP A 118 22.751 9.298 -0.950 1.00 0.00 H new ATOM 0 HB3 ASP A 118 23.990 10.433 -1.449 1.00 0.00 H new ATOM 1892 N HIS A 119 26.162 8.900 -0.121 1.00 0.00 N ATOM 1893 CA HIS A 119 27.418 9.428 0.379 1.00 0.00 C ATOM 1894 C HIS A 119 28.484 8.347 0.382 1.00 0.00 C ATOM 1895 O HIS A 119 29.640 8.606 0.048 1.00 0.00 O ATOM 1896 CB HIS A 119 27.247 10.005 1.785 1.00 0.00 C ATOM 1897 CG HIS A 119 28.387 10.883 2.203 1.00 0.00 C ATOM 1898 ND1 HIS A 119 28.406 12.243 2.007 1.00 0.00 N ATOM 1899 CD2 HIS A 119 29.563 10.573 2.790 1.00 0.00 C ATOM 1900 CE1 HIS A 119 29.546 12.732 2.456 1.00 0.00 C ATOM 1901 NE2 HIS A 119 30.270 11.738 2.938 1.00 0.00 N ATOM 0 H HIS A 119 25.535 8.543 0.600 1.00 0.00 H new ATOM 0 HA HIS A 119 27.735 10.232 -0.285 1.00 0.00 H new ATOM 0 HB2 HIS A 119 26.321 10.578 1.826 1.00 0.00 H new ATOM 0 HB3 HIS A 119 27.147 9.186 2.498 1.00 0.00 H new ATOM 0 HD2 HIS A 119 29.887 9.587 3.088 1.00 0.00 H new ATOM 0 HE1 HIS A 119 29.838 13.771 2.433 1.00 0.00 H new ATOM 0 HE2 HIS A 119 31.199 11.823 3.351 1.00 0.00 H new ATOM 1910 N ALA A 120 28.091 7.135 0.757 1.00 0.00 N ATOM 1911 CA ALA A 120 29.008 6.003 0.758 1.00 0.00 C ATOM 1912 C ALA A 120 29.523 5.733 -0.648 1.00 0.00 C ATOM 1913 O ALA A 120 30.680 5.354 -0.835 1.00 0.00 O ATOM 1914 CB ALA A 120 28.327 4.767 1.322 1.00 0.00 C ATOM 0 H ALA A 120 27.144 6.912 1.064 1.00 0.00 H new ATOM 0 HA ALA A 120 29.858 6.249 1.395 1.00 0.00 H new ATOM 0 HB1 ALA A 120 29.027 3.931 1.315 1.00 0.00 H new ATOM 0 HB2 ALA A 120 28.006 4.963 2.345 1.00 0.00 H new ATOM 0 HB3 ALA A 120 27.459 4.519 0.711 1.00 0.00 H new ATOM 1920 N LEU A 121 28.660 5.939 -1.630 1.00 0.00 N ATOM 1921 CA LEU A 121 29.030 5.767 -3.024 1.00 0.00 C ATOM 1922 C LEU A 121 29.969 6.877 -3.473 1.00 0.00 C ATOM 1923 O LEU A 121 31.029 6.608 -4.032 1.00 0.00 O ATOM 1924 CB LEU A 121 27.788 5.760 -3.909 1.00 0.00 C ATOM 1925 CG LEU A 121 27.041 4.431 -3.967 1.00 0.00 C ATOM 1926 CD1 LEU A 121 25.634 4.640 -4.498 1.00 0.00 C ATOM 1927 CD2 LEU A 121 27.797 3.433 -4.827 1.00 0.00 C ATOM 0 H LEU A 121 27.692 6.227 -1.485 1.00 0.00 H new ATOM 0 HA LEU A 121 29.543 4.810 -3.120 1.00 0.00 H new ATOM 0 HB2 LEU A 121 27.103 6.529 -3.552 1.00 0.00 H new ATOM 0 HB3 LEU A 121 28.081 6.039 -4.921 1.00 0.00 H new ATOM 0 HG LEU A 121 26.971 4.026 -2.957 1.00 0.00 H new ATOM 0 HD11 LEU A 121 25.113 3.683 -4.534 1.00 0.00 H new ATOM 0 HD12 LEU A 121 25.095 5.323 -3.841 1.00 0.00 H new ATOM 0 HD13 LEU A 121 25.683 5.064 -5.501 1.00 0.00 H new ATOM 0 HD21 LEU A 121 27.250 2.491 -4.857 1.00 0.00 H new ATOM 0 HD22 LEU A 121 27.897 3.827 -5.838 1.00 0.00 H new ATOM 0 HD23 LEU A 121 28.787 3.264 -4.403 1.00 0.00 H new ATOM 1939 N LEU A 122 29.576 8.122 -3.223 1.00 0.00 N ATOM 1940 CA LEU A 122 30.386 9.276 -3.613 1.00 0.00 C ATOM 1941 C LEU A 122 31.787 9.215 -3.007 1.00 0.00 C ATOM 1942 O LEU A 122 32.778 9.444 -3.701 1.00 0.00 O ATOM 1943 CB LEU A 122 29.699 10.577 -3.196 1.00 0.00 C ATOM 1944 CG LEU A 122 29.621 11.649 -4.287 1.00 0.00 C ATOM 1945 CD1 LEU A 122 28.180 11.869 -4.720 1.00 0.00 C ATOM 1946 CD2 LEU A 122 30.238 12.948 -3.792 1.00 0.00 C ATOM 0 H LEU A 122 28.703 8.360 -2.753 1.00 0.00 H new ATOM 0 HA LEU A 122 30.486 9.251 -4.698 1.00 0.00 H new ATOM 0 HB2 LEU A 122 28.687 10.345 -2.863 1.00 0.00 H new ATOM 0 HB3 LEU A 122 30.229 10.991 -2.339 1.00 0.00 H new ATOM 0 HG LEU A 122 30.186 11.305 -5.153 1.00 0.00 H new ATOM 0 HD11 LEU A 122 28.146 12.634 -5.496 1.00 0.00 H new ATOM 0 HD12 LEU A 122 27.771 10.937 -5.111 1.00 0.00 H new ATOM 0 HD13 LEU A 122 27.588 12.193 -3.864 1.00 0.00 H new ATOM 0 HD21 LEU A 122 30.176 13.702 -4.577 1.00 0.00 H new ATOM 0 HD22 LEU A 122 29.697 13.295 -2.912 1.00 0.00 H new ATOM 0 HD23 LEU A 122 31.283 12.779 -3.533 1.00 0.00 H new ATOM 1958 N GLU A 123 31.868 8.890 -1.723 1.00 0.00 N ATOM 1959 CA GLU A 123 33.152 8.818 -1.035 1.00 0.00 C ATOM 1960 C GLU A 123 34.034 7.719 -1.630 1.00 0.00 C ATOM 1961 O GLU A 123 35.259 7.839 -1.657 1.00 0.00 O ATOM 1962 CB GLU A 123 32.939 8.570 0.459 1.00 0.00 C ATOM 1963 CG GLU A 123 33.777 9.472 1.351 1.00 0.00 C ATOM 1964 CD GLU A 123 33.139 10.828 1.593 1.00 0.00 C ATOM 1965 OE1 GLU A 123 32.914 11.573 0.619 1.00 0.00 O ATOM 1966 OE2 GLU A 123 32.857 11.157 2.767 1.00 0.00 O ATOM 0 H GLU A 123 31.062 8.672 -1.137 1.00 0.00 H new ATOM 0 HA GLU A 123 33.661 9.773 -1.168 1.00 0.00 H new ATOM 0 HB2 GLU A 123 31.885 8.716 0.696 1.00 0.00 H new ATOM 0 HB3 GLU A 123 33.175 7.530 0.684 1.00 0.00 H new ATOM 0 HG2 GLU A 123 33.939 8.977 2.309 1.00 0.00 H new ATOM 0 HG3 GLU A 123 34.757 9.614 0.896 1.00 0.00 H new ATOM 1973 N GLU A 124 33.404 6.660 -2.121 1.00 0.00 N ATOM 1974 CA GLU A 124 34.125 5.534 -2.678 1.00 0.00 C ATOM 1975 C GLU A 124 34.499 5.789 -4.134 1.00 0.00 C ATOM 1976 O GLU A 124 35.647 5.605 -4.531 1.00 0.00 O ATOM 1977 CB GLU A 124 33.271 4.269 -2.564 1.00 0.00 C ATOM 1978 CG GLU A 124 33.858 3.066 -3.275 1.00 0.00 C ATOM 1979 CD GLU A 124 35.038 2.478 -2.536 1.00 0.00 C ATOM 1980 OE1 GLU A 124 34.925 2.248 -1.315 1.00 0.00 O ATOM 1981 OE2 GLU A 124 36.093 2.259 -3.160 1.00 0.00 O ATOM 0 H GLU A 124 32.389 6.562 -2.143 1.00 0.00 H new ATOM 0 HA GLU A 124 35.048 5.400 -2.113 1.00 0.00 H new ATOM 0 HB2 GLU A 124 33.137 4.026 -1.510 1.00 0.00 H new ATOM 0 HB3 GLU A 124 32.281 4.473 -2.972 1.00 0.00 H new ATOM 0 HG2 GLU A 124 33.088 2.303 -3.389 1.00 0.00 H new ATOM 0 HG3 GLU A 124 34.170 3.357 -4.278 1.00 0.00 H new ATOM 1988 N GLN A 125 33.532 6.237 -4.923 1.00 0.00 N ATOM 1989 CA GLN A 125 33.744 6.432 -6.353 1.00 0.00 C ATOM 1990 C GLN A 125 34.803 7.499 -6.627 1.00 0.00 C ATOM 1991 O GLN A 125 35.447 7.484 -7.674 1.00 0.00 O ATOM 1992 CB GLN A 125 32.427 6.793 -7.046 1.00 0.00 C ATOM 1993 CG GLN A 125 31.923 8.198 -6.753 1.00 0.00 C ATOM 1994 CD GLN A 125 31.654 8.991 -8.016 1.00 0.00 C ATOM 1995 OE1 GLN A 125 31.985 10.173 -8.100 1.00 0.00 O ATOM 1996 NE2 GLN A 125 31.043 8.354 -9.002 1.00 0.00 N ATOM 0 H GLN A 125 32.594 6.472 -4.599 1.00 0.00 H new ATOM 0 HA GLN A 125 34.111 5.491 -6.763 1.00 0.00 H new ATOM 0 HB2 GLN A 125 32.556 6.685 -8.123 1.00 0.00 H new ATOM 0 HB3 GLN A 125 31.664 6.076 -6.743 1.00 0.00 H new ATOM 0 HG2 GLN A 125 31.008 8.137 -6.164 1.00 0.00 H new ATOM 0 HG3 GLN A 125 32.659 8.726 -6.146 1.00 0.00 H new ATOM 0 HE21 GLN A 125 30.785 7.373 -8.893 1.00 0.00 H new ATOM 0 HE22 GLN A 125 30.830 8.844 -9.871 1.00 0.00 H new ATOM 2005 N SER A 126 34.994 8.409 -5.677 1.00 0.00 N ATOM 2006 CA SER A 126 35.981 9.476 -5.832 1.00 0.00 C ATOM 2007 C SER A 126 37.364 9.030 -5.361 1.00 0.00 C ATOM 2008 O SER A 126 38.335 9.781 -5.458 1.00 0.00 O ATOM 2009 CB SER A 126 35.537 10.725 -5.069 1.00 0.00 C ATOM 2010 OG SER A 126 34.176 11.024 -5.332 1.00 0.00 O ATOM 0 H SER A 126 34.482 8.431 -4.795 1.00 0.00 H new ATOM 0 HA SER A 126 36.051 9.715 -6.893 1.00 0.00 H new ATOM 0 HB2 SER A 126 35.679 10.572 -3.999 1.00 0.00 H new ATOM 0 HB3 SER A 126 36.161 11.572 -5.355 1.00 0.00 H new ATOM 0 HG SER A 126 33.603 10.396 -4.845 1.00 0.00 H new ATOM 2016 N LYS A 127 37.455 7.812 -4.848 1.00 0.00 N ATOM 2017 CA LYS A 127 38.740 7.260 -4.445 1.00 0.00 C ATOM 2018 C LYS A 127 39.209 6.222 -5.461 1.00 0.00 C ATOM 2019 O LYS A 127 40.323 5.705 -5.377 1.00 0.00 O ATOM 2020 CB LYS A 127 38.648 6.652 -3.037 1.00 0.00 C ATOM 2021 CG LYS A 127 38.293 5.173 -3.008 1.00 0.00 C ATOM 2022 CD LYS A 127 38.005 4.694 -1.595 1.00 0.00 C ATOM 2023 CE LYS A 127 38.535 3.289 -1.366 1.00 0.00 C ATOM 2024 NZ LYS A 127 37.543 2.430 -0.672 1.00 0.00 N ATOM 0 H LYS A 127 36.660 7.190 -4.702 1.00 0.00 H new ATOM 0 HA LYS A 127 39.474 8.065 -4.415 1.00 0.00 H new ATOM 0 HB2 LYS A 127 39.603 6.793 -2.532 1.00 0.00 H new ATOM 0 HB3 LYS A 127 37.901 7.203 -2.466 1.00 0.00 H new ATOM 0 HG2 LYS A 127 37.421 4.995 -3.638 1.00 0.00 H new ATOM 0 HG3 LYS A 127 39.114 4.593 -3.429 1.00 0.00 H new ATOM 0 HD2 LYS A 127 38.460 5.377 -0.878 1.00 0.00 H new ATOM 0 HD3 LYS A 127 36.930 4.713 -1.415 1.00 0.00 H new ATOM 0 HE2 LYS A 127 38.798 2.839 -2.324 1.00 0.00 H new ATOM 0 HE3 LYS A 127 39.450 3.338 -0.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 37.524 1.491 -1.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 37.808 2.332 0.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 36.600 2.864 -0.739 1.00 0.00 H new ATOM 2038 N GLN A 128 38.349 5.937 -6.433 1.00 0.00 N ATOM 2039 CA GLN A 128 38.657 4.952 -7.462 1.00 0.00 C ATOM 2040 C GLN A 128 39.096 5.640 -8.739 1.00 0.00 C ATOM 2041 O GLN A 128 40.100 5.280 -9.355 1.00 0.00 O ATOM 2042 CB GLN A 128 37.441 4.060 -7.736 1.00 0.00 C ATOM 2043 CG GLN A 128 36.903 3.365 -6.498 1.00 0.00 C ATOM 2044 CD GLN A 128 36.795 1.865 -6.668 1.00 0.00 C ATOM 2045 OE1 GLN A 128 36.955 1.333 -7.770 1.00 0.00 O ATOM 2046 NE2 GLN A 128 36.521 1.173 -5.578 1.00 0.00 N ATOM 0 H GLN A 128 37.433 6.375 -6.529 1.00 0.00 H new ATOM 0 HA GLN A 128 39.474 4.326 -7.102 1.00 0.00 H new ATOM 0 HB2 GLN A 128 36.648 4.666 -8.175 1.00 0.00 H new ATOM 0 HB3 GLN A 128 37.713 3.307 -8.475 1.00 0.00 H new ATOM 0 HG2 GLN A 128 37.554 3.584 -5.652 1.00 0.00 H new ATOM 0 HG3 GLN A 128 35.920 3.771 -6.257 1.00 0.00 H new ATOM 0 HE21 GLN A 128 36.396 1.653 -4.687 1.00 0.00 H new ATOM 0 HE22 GLN A 128 36.434 0.158 -5.627 1.00 0.00 H new ATOM 2055 N GLN A 129 38.325 6.621 -9.121 1.00 0.00 N ATOM 2056 CA GLN A 129 38.622 7.434 -10.288 1.00 0.00 C ATOM 2057 C GLN A 129 38.568 8.910 -9.923 1.00 0.00 C ATOM 2058 O GLN A 129 39.085 9.736 -10.696 1.00 0.00 O ATOM 2059 CB GLN A 129 37.632 7.134 -11.412 1.00 0.00 C ATOM 2060 CG GLN A 129 36.186 7.119 -10.953 1.00 0.00 C ATOM 2061 CD GLN A 129 35.276 7.926 -11.852 1.00 0.00 C ATOM 2062 OE1 GLN A 129 35.729 8.775 -12.618 1.00 0.00 O ATOM 2063 NE2 GLN A 129 33.987 7.662 -11.766 1.00 0.00 N ATOM 2064 OXT GLN A 129 38.004 9.241 -8.859 1.00 0.00 O ATOM 0 H GLN A 129 37.468 6.887 -8.636 1.00 0.00 H new ATOM 0 HA GLN A 129 39.626 7.192 -10.636 1.00 0.00 H new ATOM 0 HB2 GLN A 129 37.748 7.881 -12.198 1.00 0.00 H new ATOM 0 HB3 GLN A 129 37.876 6.167 -11.852 1.00 0.00 H new ATOM 0 HG2 GLN A 129 35.832 6.089 -10.916 1.00 0.00 H new ATOM 0 HG3 GLN A 129 36.128 7.512 -9.938 1.00 0.00 H new ATOM 0 HE21 GLN A 129 33.655 6.949 -11.117 1.00 0.00 H new ATOM 0 HE22 GLN A 129 33.322 8.171 -12.349 1.00 0.00 H new TER 2073 GLN A 129