USER MOD reduce.3.24.130724 H: found=0, std=0, add=1111, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1106 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 121 LYS NZ :NH3+ -108:sc= 1.26 (180deg=-0.0616) USER MOD Set 1.2: A 122 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 70 LYS NZ :NH3+ 166:sc= -1.08 (180deg=0.517) USER MOD Set 2.2: A 78 THR OG1 : rot 180:sc= 0 USER MOD Set 2.3: A 81 GLN : amide:sc= -2.01 K(o=-3.1,f=-11!) USER MOD Set 3.1: A 17 GLN : amide:sc= -0.453 X(o=-0.45,f=-0.42) USER MOD Set 3.2: A 73 ASN : amide:sc= 0 X(o=-0.45,f=-0.42) USER MOD Set 4.1: A 44 SER OG : rot 20:sc= 1.04 USER MOD Set 4.2: A 59 HIS : no HD1:sc= 0.743 K(o=3.2,f=-4.9!) USER MOD Set 4.3: A 67 SER OG : rot -155:sc= 1.4 USER MOD Single : A 1 GLY N :NH3+ -121:sc= 0.0843 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 44:sc= 0.692 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= -1.77! C(o=-1.8!,f=-2!) USER MOD Single : A 11 LYS NZ :NH3+ 160:sc= -0.0439 (180deg=-0.343) USER MOD Single : A 13 ASN : amide:sc= 0.128 K(o=0.13,f=-2.3!) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 HIS : no HD1:sc= -2.28! C(o=-2.3!,f=-2!) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -3.73 K(o=-3.7,f=-12!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN :FLIP amide:sc= -0.539 F(o=-2.1,f=-0.54) USER MOD Single : A 61 ASN : amide:sc= -0.0851 K(o=-0.085,f=-1.4) USER MOD Single : A 65 HIS : no HD1:sc= -3.88! C(o=-3.9!,f=-5.3!) USER MOD Single : A 71 SER OG : rot -120:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 GLN : amide:sc= -0.362 X(o=-0.36,f=-0.36) USER MOD Single : A 84 CYS SG : rot 81:sc= 0.163 USER MOD Single : A 85 MET CE :methyl -126:sc= -3.36! (180deg=-4.09!) USER MOD Single : A 86 GLN :FLIP amide:sc= -6.04! C(o=-6.6!,f=-6!) USER MOD Single : A 88 MET CE :methyl 148:sc= -0.443 (180deg=-1.1) USER MOD Single : A 90 ASN : amide:sc= -0.255 K(o=-0.26,f=-6.2!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc= 1.38 K(o=1.4,f=-0.23) USER MOD Single : A 104 ASN : amide:sc= -1.71! C(o=-1.7!,f=-1.6!) USER MOD Single : A 109 GLN : amide:sc= -0.0264 X(o=-0.026,f=0) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 GLN : amide:sc= -0.16 K(o=-0.16,f=-1.8) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 LYS NZ :NH3+ -133:sc= 1.21 (180deg=-0.228) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD Single : A 130 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.000452) USER MOD Single : A 131 ASN : amide:sc= -0.012 K(o=-0.012,f=-2.1) USER MOD Single : A 136 SER OG : rot 35:sc= 1.17 USER MOD Single : A 139 SER OG : rot 180:sc= 0 USER MOD Single : A 140 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.488 -11.182 -23.759 1.00 0.00 N ATOM 2 CA GLY A 1 -14.671 -11.532 -22.613 1.00 0.00 C ATOM 3 C GLY A 1 -15.472 -11.598 -21.328 1.00 0.00 C ATOM 4 O GLY A 1 -16.682 -11.373 -21.331 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.432 -11.939 -24.470 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.476 -11.063 -23.457 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.143 -10.293 -24.173 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.195 -12.496 -22.791 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.872 -10.798 -22.502 1.00 0.00 H new ATOM 8 N SER A 2 -14.797 -11.911 -20.226 1.00 0.00 N ATOM 9 CA SER A 2 -15.455 -12.012 -18.929 1.00 0.00 C ATOM 10 C SER A 2 -14.429 -12.059 -17.801 1.00 0.00 C ATOM 11 O SER A 2 -13.575 -12.945 -17.760 1.00 0.00 O ATOM 12 CB SER A 2 -16.342 -13.258 -18.879 1.00 0.00 C ATOM 13 OG SER A 2 -17.340 -13.134 -17.881 1.00 0.00 O ATOM 0 H SER A 2 -13.795 -12.099 -20.206 1.00 0.00 H new ATOM 0 HA SER A 2 -16.076 -11.126 -18.795 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.812 -13.413 -19.850 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.729 -14.137 -18.678 1.00 0.00 H new ATOM 0 HG SER A 2 -17.894 -13.942 -17.871 1.00 0.00 H new ATOM 19 N SER A 3 -14.519 -11.099 -16.887 1.00 0.00 N ATOM 20 CA SER A 3 -13.597 -11.027 -15.760 1.00 0.00 C ATOM 21 C SER A 3 -14.158 -11.769 -14.551 1.00 0.00 C ATOM 22 O SER A 3 -14.883 -11.197 -13.738 1.00 0.00 O ATOM 23 CB SER A 3 -13.319 -9.568 -15.393 1.00 0.00 C ATOM 24 OG SER A 3 -14.521 -8.880 -15.091 1.00 0.00 O ATOM 0 H SER A 3 -15.222 -10.360 -16.905 1.00 0.00 H new ATOM 0 HA SER A 3 -12.663 -11.504 -16.056 1.00 0.00 H new ATOM 0 HB2 SER A 3 -12.648 -9.527 -14.535 1.00 0.00 H new ATOM 0 HB3 SER A 3 -12.810 -9.072 -16.220 1.00 0.00 H new ATOM 0 HG SER A 3 -15.088 -9.445 -14.526 1.00 0.00 H new ATOM 30 N GLY A 4 -13.816 -13.049 -14.439 1.00 0.00 N ATOM 31 CA GLY A 4 -14.293 -13.850 -13.327 1.00 0.00 C ATOM 32 C GLY A 4 -15.752 -13.589 -13.009 1.00 0.00 C ATOM 33 O GLY A 4 -16.546 -13.294 -13.902 1.00 0.00 O ATOM 0 H GLY A 4 -13.217 -13.545 -15.099 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.158 -14.906 -13.560 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.688 -13.638 -12.445 1.00 0.00 H new ATOM 37 N SER A 5 -16.106 -13.699 -11.732 1.00 0.00 N ATOM 38 CA SER A 5 -17.481 -13.477 -11.299 1.00 0.00 C ATOM 39 C SER A 5 -17.530 -12.503 -10.125 1.00 0.00 C ATOM 40 O SER A 5 -16.655 -12.513 -9.260 1.00 0.00 O ATOM 41 CB SER A 5 -18.133 -14.803 -10.904 1.00 0.00 C ATOM 42 OG SER A 5 -18.653 -15.474 -12.038 1.00 0.00 O ATOM 0 H SER A 5 -15.460 -13.940 -10.980 1.00 0.00 H new ATOM 0 HA SER A 5 -18.033 -13.043 -12.132 1.00 0.00 H new ATOM 0 HB2 SER A 5 -17.400 -15.438 -10.406 1.00 0.00 H new ATOM 0 HB3 SER A 5 -18.934 -14.619 -10.188 1.00 0.00 H new ATOM 0 HG SER A 5 -19.063 -16.319 -11.759 1.00 0.00 H new ATOM 48 N SER A 6 -18.561 -11.664 -10.104 1.00 0.00 N ATOM 49 CA SER A 6 -18.723 -10.681 -9.040 1.00 0.00 C ATOM 50 C SER A 6 -19.556 -11.251 -7.896 1.00 0.00 C ATOM 51 O SER A 6 -20.764 -11.442 -8.027 1.00 0.00 O ATOM 52 CB SER A 6 -19.385 -9.413 -9.584 1.00 0.00 C ATOM 53 OG SER A 6 -18.677 -8.909 -10.703 1.00 0.00 O ATOM 0 H SER A 6 -19.296 -11.646 -10.811 1.00 0.00 H new ATOM 0 HA SER A 6 -17.734 -10.431 -8.657 1.00 0.00 H new ATOM 0 HB2 SER A 6 -20.415 -9.630 -9.869 1.00 0.00 H new ATOM 0 HB3 SER A 6 -19.423 -8.655 -8.802 1.00 0.00 H new ATOM 0 HG SER A 6 -19.120 -8.100 -11.033 1.00 0.00 H new ATOM 59 N GLY A 7 -18.899 -11.522 -6.772 1.00 0.00 N ATOM 60 CA GLY A 7 -19.593 -12.069 -5.620 1.00 0.00 C ATOM 61 C GLY A 7 -18.738 -12.056 -4.368 1.00 0.00 C ATOM 62 O GLY A 7 -18.493 -13.100 -3.764 1.00 0.00 O ATOM 0 H GLY A 7 -17.899 -11.373 -6.639 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -20.502 -11.495 -5.441 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -19.899 -13.092 -5.836 1.00 0.00 H new ATOM 66 N LYS A 8 -18.281 -10.871 -3.978 1.00 0.00 N ATOM 67 CA LYS A 8 -17.447 -10.725 -2.791 1.00 0.00 C ATOM 68 C LYS A 8 -18.254 -10.159 -1.626 1.00 0.00 C ATOM 69 O LYS A 8 -18.661 -8.998 -1.648 1.00 0.00 O ATOM 70 CB LYS A 8 -16.254 -9.815 -3.089 1.00 0.00 C ATOM 71 CG LYS A 8 -15.289 -10.392 -4.110 1.00 0.00 C ATOM 72 CD LYS A 8 -15.729 -10.079 -5.531 1.00 0.00 C ATOM 73 CE LYS A 8 -15.420 -8.637 -5.905 1.00 0.00 C ATOM 74 NZ LYS A 8 -16.044 -8.256 -7.202 1.00 0.00 N ATOM 0 H LYS A 8 -18.474 -9.997 -4.467 1.00 0.00 H new ATOM 0 HA LYS A 8 -17.081 -11.713 -2.511 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -16.622 -8.855 -3.451 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -15.715 -9.621 -2.162 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -14.292 -9.987 -3.939 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -15.221 -11.472 -3.978 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -15.226 -10.752 -6.225 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -16.799 -10.260 -5.630 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -15.780 -7.973 -5.119 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -14.340 -8.501 -5.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -15.811 -7.267 -7.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -15.681 -8.873 -7.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -17.076 -8.361 -7.135 1.00 0.00 H new ATOM 88 N ALA A 9 -18.480 -10.986 -0.611 1.00 0.00 N ATOM 89 CA ALA A 9 -19.234 -10.566 0.563 1.00 0.00 C ATOM 90 C ALA A 9 -18.323 -9.916 1.598 1.00 0.00 C ATOM 91 O ALA A 9 -18.487 -8.744 1.934 1.00 0.00 O ATOM 92 CB ALA A 9 -19.966 -11.753 1.173 1.00 0.00 C ATOM 0 H ALA A 9 -18.151 -11.951 -0.578 1.00 0.00 H new ATOM 0 HA ALA A 9 -19.967 -9.824 0.246 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -20.525 -11.425 2.049 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -20.655 -12.172 0.439 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -19.243 -12.514 1.468 1.00 0.00 H new ATOM 98 N GLN A 10 -17.362 -10.686 2.100 1.00 0.00 N ATOM 99 CA GLN A 10 -16.425 -10.184 3.099 1.00 0.00 C ATOM 100 C GLN A 10 -15.870 -8.824 2.689 1.00 0.00 C ATOM 101 O GLN A 10 -15.510 -8.007 3.537 1.00 0.00 O ATOM 102 CB GLN A 10 -15.279 -11.177 3.298 1.00 0.00 C ATOM 103 CG GLN A 10 -14.530 -11.507 2.017 1.00 0.00 C ATOM 104 CD GLN A 10 -15.233 -12.560 1.184 1.00 0.00 C ATOM 105 OE1 GLN A 10 -15.643 -13.602 1.697 1.00 0.00 O ATOM 106 NE2 GLN A 10 -15.378 -12.294 -0.109 1.00 0.00 N ATOM 0 H GLN A 10 -17.212 -11.659 1.832 1.00 0.00 H new ATOM 0 HA GLN A 10 -16.963 -10.068 4.040 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -14.577 -10.768 4.024 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -15.677 -12.098 3.724 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -14.413 -10.599 1.425 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -13.528 -11.856 2.266 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -15.023 -11.418 -0.492 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -15.844 -12.966 -0.719 1.00 0.00 H new ATOM 115 N LYS A 11 -15.802 -8.587 1.383 1.00 0.00 N ATOM 116 CA LYS A 11 -15.291 -7.326 0.859 1.00 0.00 C ATOM 117 C LYS A 11 -16.251 -6.181 1.166 1.00 0.00 C ATOM 118 O LYS A 11 -15.879 -5.204 1.818 1.00 0.00 O ATOM 119 CB LYS A 11 -15.071 -7.430 -0.652 1.00 0.00 C ATOM 120 CG LYS A 11 -14.185 -6.332 -1.214 1.00 0.00 C ATOM 121 CD LYS A 11 -12.719 -6.585 -0.905 1.00 0.00 C ATOM 122 CE LYS A 11 -12.125 -7.628 -1.839 1.00 0.00 C ATOM 123 NZ LYS A 11 -12.046 -7.135 -3.242 1.00 0.00 N ATOM 0 H LYS A 11 -16.095 -9.253 0.668 1.00 0.00 H new ATOM 0 HA LYS A 11 -14.338 -7.118 1.345 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -14.625 -8.398 -0.880 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -16.038 -7.398 -1.155 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -14.324 -6.268 -2.293 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -14.485 -5.371 -0.796 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -12.161 -5.653 -0.996 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -12.616 -6.919 0.128 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -11.128 -7.900 -1.493 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -12.732 -8.533 -1.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -11.353 -7.702 -3.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -12.979 -7.220 -3.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -11.751 -6.138 -3.243 1.00 0.00 H new ATOM 137 N LEU A 12 -17.486 -6.307 0.695 1.00 0.00 N ATOM 138 CA LEU A 12 -18.500 -5.283 0.921 1.00 0.00 C ATOM 139 C LEU A 12 -18.315 -4.625 2.284 1.00 0.00 C ATOM 140 O LEU A 12 -18.286 -3.401 2.395 1.00 0.00 O ATOM 141 CB LEU A 12 -19.900 -5.892 0.821 1.00 0.00 C ATOM 142 CG LEU A 12 -21.021 -4.936 0.414 1.00 0.00 C ATOM 143 CD1 LEU A 12 -22.111 -5.681 -0.341 1.00 0.00 C ATOM 144 CD2 LEU A 12 -21.597 -4.238 1.637 1.00 0.00 C ATOM 0 H LEU A 12 -17.810 -7.109 0.154 1.00 0.00 H new ATOM 0 HA LEU A 12 -18.387 -4.519 0.151 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -19.868 -6.710 0.101 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -20.154 -6.328 1.787 1.00 0.00 H new ATOM 0 HG LEU A 12 -20.603 -4.178 -0.248 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -22.900 -4.984 -0.622 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -21.688 -6.132 -1.239 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -22.527 -6.462 0.296 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -22.394 -3.561 1.328 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -21.999 -4.982 2.325 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -20.811 -3.670 2.135 1.00 0.00 H new ATOM 156 N ASN A 13 -18.189 -5.448 3.320 1.00 0.00 N ATOM 157 CA ASN A 13 -18.005 -4.946 4.677 1.00 0.00 C ATOM 158 C ASN A 13 -16.846 -3.957 4.739 1.00 0.00 C ATOM 159 O ASN A 13 -15.781 -4.197 4.169 1.00 0.00 O ATOM 160 CB ASN A 13 -17.752 -6.106 5.642 1.00 0.00 C ATOM 161 CG ASN A 13 -18.916 -7.076 5.698 1.00 0.00 C ATOM 162 OD1 ASN A 13 -19.233 -7.741 4.711 1.00 0.00 O ATOM 163 ND2 ASN A 13 -19.560 -7.162 6.857 1.00 0.00 N ATOM 0 H ASN A 13 -18.211 -6.465 3.246 1.00 0.00 H new ATOM 0 HA ASN A 13 -18.917 -4.428 4.973 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -16.852 -6.640 5.336 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -17.564 -5.710 6.640 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -20.351 -7.798 6.955 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -19.263 -6.592 7.649 1.00 0.00 H new ATOM 170 N GLU A 14 -17.060 -2.844 5.434 1.00 0.00 N ATOM 171 CA GLU A 14 -16.033 -1.818 5.569 1.00 0.00 C ATOM 172 C GLU A 14 -15.132 -2.105 6.767 1.00 0.00 C ATOM 173 O GLU A 14 -15.418 -1.682 7.886 1.00 0.00 O ATOM 174 CB GLU A 14 -16.676 -0.438 5.719 1.00 0.00 C ATOM 175 CG GLU A 14 -17.878 -0.424 6.647 1.00 0.00 C ATOM 176 CD GLU A 14 -18.056 0.906 7.353 1.00 0.00 C ATOM 177 OE1 GLU A 14 -17.233 1.225 8.236 1.00 0.00 O ATOM 178 OE2 GLU A 14 -19.019 1.629 7.021 1.00 0.00 O ATOM 0 H GLU A 14 -17.935 -2.630 5.912 1.00 0.00 H new ATOM 0 HA GLU A 14 -15.423 -1.830 4.666 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -15.930 0.262 6.094 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -16.982 -0.081 4.736 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -18.777 -0.650 6.074 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -17.767 -1.213 7.390 1.00 0.00 H new ATOM 185 N GLN A 15 -14.043 -2.827 6.521 1.00 0.00 N ATOM 186 CA GLN A 15 -13.101 -3.171 7.580 1.00 0.00 C ATOM 187 C GLN A 15 -11.662 -3.045 7.090 1.00 0.00 C ATOM 188 O GLN A 15 -11.257 -3.719 6.142 1.00 0.00 O ATOM 189 CB GLN A 15 -13.360 -4.594 8.078 1.00 0.00 C ATOM 190 CG GLN A 15 -12.357 -5.066 9.119 1.00 0.00 C ATOM 191 CD GLN A 15 -12.792 -4.747 10.536 1.00 0.00 C ATOM 192 OE1 GLN A 15 -12.466 -3.689 11.074 1.00 0.00 O ATOM 193 NE2 GLN A 15 -13.532 -5.663 11.148 1.00 0.00 N ATOM 0 H GLN A 15 -13.792 -3.184 5.599 1.00 0.00 H new ATOM 0 HA GLN A 15 -13.247 -2.473 8.404 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -14.363 -4.645 8.502 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -13.338 -5.277 7.229 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -12.216 -6.142 9.020 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -11.391 -4.599 8.926 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -13.779 -6.526 10.664 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -13.854 -5.504 12.103 1.00 0.00 H new ATOM 202 N HIS A 16 -10.894 -2.178 7.742 1.00 0.00 N ATOM 203 CA HIS A 16 -9.499 -1.964 7.373 1.00 0.00 C ATOM 204 C HIS A 16 -8.684 -3.240 7.565 1.00 0.00 C ATOM 205 O HIS A 16 -8.051 -3.729 6.631 1.00 0.00 O ATOM 206 CB HIS A 16 -8.898 -0.831 8.204 1.00 0.00 C ATOM 207 CG HIS A 16 -9.625 0.470 8.057 1.00 0.00 C ATOM 208 ND1 HIS A 16 -9.817 1.347 9.104 1.00 0.00 N ATOM 209 CD2 HIS A 16 -10.207 1.043 6.978 1.00 0.00 C ATOM 210 CE1 HIS A 16 -10.487 2.402 8.675 1.00 0.00 C ATOM 211 NE2 HIS A 16 -10.736 2.242 7.387 1.00 0.00 N ATOM 0 H HIS A 16 -11.214 -1.612 8.528 1.00 0.00 H new ATOM 0 HA HIS A 16 -9.466 -1.688 6.319 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -8.899 -1.122 9.254 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -7.857 -0.691 7.913 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -10.248 0.633 5.980 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -10.781 3.251 9.275 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -11.239 2.902 6.794 1.00 0.00 H new ATOM 219 N GLN A 17 -8.705 -3.772 8.783 1.00 0.00 N ATOM 220 CA GLN A 17 -7.967 -4.989 9.098 1.00 0.00 C ATOM 221 C GLN A 17 -8.084 -6.004 7.966 1.00 0.00 C ATOM 222 O GLN A 17 -7.079 -6.486 7.443 1.00 0.00 O ATOM 223 CB GLN A 17 -8.482 -5.600 10.402 1.00 0.00 C ATOM 224 CG GLN A 17 -8.153 -4.771 11.633 1.00 0.00 C ATOM 225 CD GLN A 17 -6.733 -4.241 11.618 1.00 0.00 C ATOM 226 OE1 GLN A 17 -6.508 -3.032 11.686 1.00 0.00 O ATOM 227 NE2 GLN A 17 -5.764 -5.145 11.529 1.00 0.00 N ATOM 0 H GLN A 17 -9.225 -3.379 9.568 1.00 0.00 H new ATOM 0 HA GLN A 17 -6.916 -4.726 9.219 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -9.563 -5.722 10.334 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -8.056 -6.596 10.520 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -8.848 -3.934 11.699 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -8.300 -5.379 12.526 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -5.995 -6.137 11.475 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -4.789 -4.847 11.515 1.00 0.00 H new ATOM 236 N LEU A 18 -9.318 -6.326 7.592 1.00 0.00 N ATOM 237 CA LEU A 18 -9.567 -7.285 6.521 1.00 0.00 C ATOM 238 C LEU A 18 -8.832 -6.883 5.247 1.00 0.00 C ATOM 239 O LEU A 18 -8.079 -7.673 4.678 1.00 0.00 O ATOM 240 CB LEU A 18 -11.068 -7.392 6.245 1.00 0.00 C ATOM 241 CG LEU A 18 -11.511 -8.586 5.398 1.00 0.00 C ATOM 242 CD1 LEU A 18 -11.729 -9.810 6.274 1.00 0.00 C ATOM 243 CD2 LEU A 18 -12.777 -8.250 4.624 1.00 0.00 C ATOM 0 H LEU A 18 -10.161 -5.937 8.014 1.00 0.00 H new ATOM 0 HA LEU A 18 -9.192 -8.257 6.843 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -11.591 -7.436 7.201 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -11.392 -6.478 5.746 1.00 0.00 H new ATOM 0 HG LEU A 18 -10.721 -8.813 4.682 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -12.044 -10.650 5.654 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -10.799 -10.063 6.783 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -12.501 -9.595 7.013 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -13.078 -9.111 4.027 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -13.574 -7.997 5.323 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -12.587 -7.401 3.967 1.00 0.00 H new ATOM 255 N ILE A 19 -9.053 -5.649 4.807 1.00 0.00 N ATOM 256 CA ILE A 19 -8.409 -5.140 3.603 1.00 0.00 C ATOM 257 C ILE A 19 -6.931 -5.516 3.570 1.00 0.00 C ATOM 258 O ILE A 19 -6.489 -6.265 2.697 1.00 0.00 O ATOM 259 CB ILE A 19 -8.540 -3.610 3.497 1.00 0.00 C ATOM 260 CG1 ILE A 19 -10.009 -3.212 3.337 1.00 0.00 C ATOM 261 CG2 ILE A 19 -7.715 -3.086 2.331 1.00 0.00 C ATOM 262 CD1 ILE A 19 -10.292 -1.777 3.724 1.00 0.00 C ATOM 0 H ILE A 19 -9.674 -4.983 5.267 1.00 0.00 H new ATOM 0 HA ILE A 19 -8.918 -5.599 2.755 1.00 0.00 H new ATOM 0 HB ILE A 19 -8.159 -3.164 4.416 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -10.308 -3.366 2.300 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -10.625 -3.873 3.948 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -7.819 -2.003 2.270 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -6.667 -3.342 2.483 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -8.068 -3.537 1.404 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -11.352 -1.565 3.585 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -10.025 -1.623 4.769 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -9.703 -1.108 3.096 1.00 0.00 H new ATOM 274 N LEU A 20 -6.172 -4.993 4.526 1.00 0.00 N ATOM 275 CA LEU A 20 -4.743 -5.274 4.609 1.00 0.00 C ATOM 276 C LEU A 20 -4.453 -6.729 4.254 1.00 0.00 C ATOM 277 O LEU A 20 -3.532 -7.021 3.491 1.00 0.00 O ATOM 278 CB LEU A 20 -4.223 -4.967 6.014 1.00 0.00 C ATOM 279 CG LEU A 20 -4.258 -3.497 6.436 1.00 0.00 C ATOM 280 CD1 LEU A 20 -4.348 -3.379 7.950 1.00 0.00 C ATOM 281 CD2 LEU A 20 -3.033 -2.763 5.914 1.00 0.00 C ATOM 0 H LEU A 20 -6.522 -4.372 5.255 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.230 -4.634 3.891 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.808 -5.544 6.730 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.194 -5.320 6.084 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.145 -3.035 6.002 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.372 -2.326 8.232 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.257 -3.869 8.300 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.480 -3.857 8.404 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.075 -1.719 6.224 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.132 -3.225 6.318 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.012 -2.818 4.826 1.00 0.00 H new ATOM 293 N SER A 21 -5.248 -7.638 4.810 1.00 0.00 N ATOM 294 CA SER A 21 -5.075 -9.063 4.554 1.00 0.00 C ATOM 295 C SER A 21 -5.309 -9.382 3.080 1.00 0.00 C ATOM 296 O SER A 21 -4.528 -10.100 2.456 1.00 0.00 O ATOM 297 CB SER A 21 -6.035 -9.879 5.422 1.00 0.00 C ATOM 298 OG SER A 21 -6.009 -11.249 5.062 1.00 0.00 O ATOM 0 H SER A 21 -6.018 -7.413 5.440 1.00 0.00 H new ATOM 0 HA SER A 21 -4.049 -9.331 4.808 1.00 0.00 H new ATOM 0 HB2 SER A 21 -5.763 -9.770 6.472 1.00 0.00 H new ATOM 0 HB3 SER A 21 -7.048 -9.491 5.314 1.00 0.00 H new ATOM 0 HG SER A 21 -6.630 -11.749 5.632 1.00 0.00 H new ATOM 304 N LYS A 22 -6.392 -8.843 2.529 1.00 0.00 N ATOM 305 CA LYS A 22 -6.731 -9.068 1.129 1.00 0.00 C ATOM 306 C LYS A 22 -5.541 -8.762 0.225 1.00 0.00 C ATOM 307 O LYS A 22 -5.286 -9.475 -0.746 1.00 0.00 O ATOM 308 CB LYS A 22 -7.926 -8.201 0.727 1.00 0.00 C ATOM 309 CG LYS A 22 -9.263 -8.910 0.857 1.00 0.00 C ATOM 310 CD LYS A 22 -9.582 -9.238 2.306 1.00 0.00 C ATOM 311 CE LYS A 22 -10.624 -10.342 2.411 1.00 0.00 C ATOM 312 NZ LYS A 22 -9.998 -11.692 2.463 1.00 0.00 N ATOM 0 H LYS A 22 -7.050 -8.247 3.031 1.00 0.00 H new ATOM 0 HA LYS A 22 -6.995 -10.119 1.009 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.938 -7.304 1.346 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.796 -7.874 -0.305 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -10.051 -8.281 0.443 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -9.247 -9.828 0.270 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -8.671 -9.546 2.820 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -9.946 -8.343 2.811 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -11.228 -10.187 3.305 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -11.299 -10.287 1.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -10.741 -12.417 2.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -9.442 -11.850 1.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -9.374 -11.753 3.293 1.00 0.00 H new ATOM 326 N LEU A 23 -4.814 -7.699 0.551 1.00 0.00 N ATOM 327 CA LEU A 23 -3.649 -7.299 -0.230 1.00 0.00 C ATOM 328 C LEU A 23 -2.571 -8.377 -0.190 1.00 0.00 C ATOM 329 O LEU A 23 -2.100 -8.839 -1.230 1.00 0.00 O ATOM 330 CB LEU A 23 -3.086 -5.978 0.296 1.00 0.00 C ATOM 331 CG LEU A 23 -4.105 -4.865 0.544 1.00 0.00 C ATOM 332 CD1 LEU A 23 -3.405 -3.591 0.991 1.00 0.00 C ATOM 333 CD2 LEU A 23 -4.932 -4.611 -0.708 1.00 0.00 C ATOM 0 H LEU A 23 -5.011 -7.098 1.351 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.965 -7.165 -1.265 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.560 -6.177 1.230 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.345 -5.613 -0.415 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.777 -5.184 1.340 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.146 -2.810 1.163 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.858 -3.781 1.914 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.709 -3.267 0.217 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -5.652 -3.816 -0.513 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.274 -4.313 -1.524 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.463 -5.522 -0.984 1.00 0.00 H new ATOM 345 N LEU A 24 -2.185 -8.776 1.017 1.00 0.00 N ATOM 346 CA LEU A 24 -1.164 -9.802 1.194 1.00 0.00 C ATOM 347 C LEU A 24 -1.483 -11.038 0.359 1.00 0.00 C ATOM 348 O LEU A 24 -0.593 -11.639 -0.244 1.00 0.00 O ATOM 349 CB LEU A 24 -1.049 -10.186 2.670 1.00 0.00 C ATOM 350 CG LEU A 24 -0.385 -9.154 3.582 1.00 0.00 C ATOM 351 CD1 LEU A 24 -0.562 -9.540 5.043 1.00 0.00 C ATOM 352 CD2 LEU A 24 1.091 -9.011 3.242 1.00 0.00 C ATOM 0 H LEU A 24 -2.564 -8.404 1.888 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.212 -9.394 0.856 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.050 -10.388 3.051 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.488 -11.118 2.740 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.869 -8.191 3.420 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.083 -8.794 5.677 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.625 -9.589 5.280 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.105 -10.514 5.220 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.546 -8.272 3.902 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.589 -9.971 3.374 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.196 -8.687 2.207 1.00 0.00 H new ATOM 364 N ARG A 25 -2.758 -11.411 0.326 1.00 0.00 N ATOM 365 CA ARG A 25 -3.195 -12.574 -0.436 1.00 0.00 C ATOM 366 C ARG A 25 -2.651 -12.526 -1.861 1.00 0.00 C ATOM 367 O ARG A 25 -2.236 -13.546 -2.411 1.00 0.00 O ATOM 368 CB ARG A 25 -4.723 -12.647 -0.465 1.00 0.00 C ATOM 369 CG ARG A 25 -5.347 -12.874 0.902 1.00 0.00 C ATOM 370 CD ARG A 25 -6.854 -13.056 0.803 1.00 0.00 C ATOM 371 NE ARG A 25 -7.376 -13.893 1.879 1.00 0.00 N ATOM 372 CZ ARG A 25 -7.339 -15.221 1.862 1.00 0.00 C ATOM 373 NH1 ARG A 25 -6.805 -15.859 0.829 1.00 0.00 N ATOM 374 NH2 ARG A 25 -7.834 -15.914 2.879 1.00 0.00 N ATOM 0 H ARG A 25 -3.507 -10.924 0.819 1.00 0.00 H new ATOM 0 HA ARG A 25 -2.804 -13.466 0.054 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -5.115 -11.720 -0.885 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -5.027 -13.453 -1.133 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -4.903 -13.755 1.364 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.123 -12.027 1.550 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -7.340 -12.081 0.834 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -7.102 -13.505 -0.159 1.00 0.00 H new ATOM 0 HE ARG A 25 -7.792 -13.433 2.689 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -6.422 -15.330 0.046 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -6.778 -16.879 0.818 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -8.244 -15.427 3.676 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -7.805 -16.933 2.864 1.00 0.00 H new ATOM 388 N GLU A 26 -2.656 -11.335 -2.451 1.00 0.00 N ATOM 389 CA GLU A 26 -2.163 -11.156 -3.812 1.00 0.00 C ATOM 390 C GLU A 26 -0.692 -11.546 -3.914 1.00 0.00 C ATOM 391 O GLU A 26 0.108 -11.223 -3.036 1.00 0.00 O ATOM 392 CB GLU A 26 -2.350 -9.704 -4.258 1.00 0.00 C ATOM 393 CG GLU A 26 -3.802 -9.259 -4.289 1.00 0.00 C ATOM 394 CD GLU A 26 -4.554 -9.801 -5.489 1.00 0.00 C ATOM 395 OE1 GLU A 26 -5.120 -10.909 -5.383 1.00 0.00 O ATOM 396 OE2 GLU A 26 -4.575 -9.117 -6.534 1.00 0.00 O ATOM 0 H GLU A 26 -2.995 -10.481 -2.009 1.00 0.00 H new ATOM 0 HA GLU A 26 -2.739 -11.808 -4.469 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.793 -9.052 -3.585 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.919 -9.580 -5.252 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.298 -9.587 -3.376 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.844 -8.170 -4.301 1.00 0.00 H new ATOM 403 N GLU A 27 -0.343 -12.242 -4.992 1.00 0.00 N ATOM 404 CA GLU A 27 1.032 -12.677 -5.207 1.00 0.00 C ATOM 405 C GLU A 27 2.000 -11.505 -5.080 1.00 0.00 C ATOM 406 O GLU A 27 3.119 -11.660 -4.591 1.00 0.00 O ATOM 407 CB GLU A 27 1.175 -13.323 -6.587 1.00 0.00 C ATOM 408 CG GLU A 27 0.283 -14.537 -6.786 1.00 0.00 C ATOM 409 CD GLU A 27 0.614 -15.302 -8.053 1.00 0.00 C ATOM 410 OE1 GLU A 27 1.796 -15.299 -8.456 1.00 0.00 O ATOM 411 OE2 GLU A 27 -0.308 -15.905 -8.641 1.00 0.00 O ATOM 0 H GLU A 27 -0.993 -12.516 -5.729 1.00 0.00 H new ATOM 0 HA GLU A 27 1.277 -13.413 -4.441 1.00 0.00 H new ATOM 0 HB2 GLU A 27 0.942 -12.582 -7.352 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.214 -13.618 -6.735 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.383 -15.202 -5.928 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -0.758 -14.217 -6.821 1.00 0.00 H new ATOM 418 N ASP A 28 1.561 -10.332 -5.523 1.00 0.00 N ATOM 419 CA ASP A 28 2.387 -9.132 -5.458 1.00 0.00 C ATOM 420 C ASP A 28 2.757 -8.804 -4.015 1.00 0.00 C ATOM 421 O ASP A 28 3.807 -8.219 -3.751 1.00 0.00 O ATOM 422 CB ASP A 28 1.655 -7.948 -6.091 1.00 0.00 C ATOM 423 CG ASP A 28 1.295 -8.199 -7.543 1.00 0.00 C ATOM 424 OD1 ASP A 28 2.220 -8.282 -8.378 1.00 0.00 O ATOM 425 OD2 ASP A 28 0.089 -8.312 -7.843 1.00 0.00 O ATOM 0 H ASP A 28 0.638 -10.187 -5.931 1.00 0.00 H new ATOM 0 HA ASP A 28 3.304 -9.322 -6.015 1.00 0.00 H new ATOM 0 HB2 ASP A 28 0.747 -7.741 -5.525 1.00 0.00 H new ATOM 0 HB3 ASP A 28 2.282 -7.059 -6.024 1.00 0.00 H new ATOM 430 N ASN A 29 1.888 -9.185 -3.085 1.00 0.00 N ATOM 431 CA ASN A 29 2.123 -8.930 -1.669 1.00 0.00 C ATOM 432 C ASN A 29 2.137 -10.234 -0.876 1.00 0.00 C ATOM 433 O ASN A 29 1.782 -10.262 0.302 1.00 0.00 O ATOM 434 CB ASN A 29 1.048 -7.995 -1.112 1.00 0.00 C ATOM 435 CG ASN A 29 0.834 -6.775 -1.988 1.00 0.00 C ATOM 436 OD1 ASN A 29 1.449 -6.641 -3.046 1.00 0.00 O ATOM 437 ND2 ASN A 29 -0.042 -5.878 -1.549 1.00 0.00 N ATOM 0 H ASN A 29 1.014 -9.672 -3.287 1.00 0.00 H new ATOM 0 HA ASN A 29 3.098 -8.453 -1.569 1.00 0.00 H new ATOM 0 HB2 ASN A 29 0.109 -8.540 -1.017 1.00 0.00 H new ATOM 0 HB3 ASN A 29 1.333 -7.674 -0.110 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -0.228 -5.037 -2.095 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -0.529 -6.031 -0.666 1.00 0.00 H new ATOM 444 N LYS A 30 2.551 -11.314 -1.531 1.00 0.00 N ATOM 445 CA LYS A 30 2.614 -12.621 -0.890 1.00 0.00 C ATOM 446 C LYS A 30 3.935 -12.800 -0.148 1.00 0.00 C ATOM 447 O LYS A 30 4.046 -13.636 0.749 1.00 0.00 O ATOM 448 CB LYS A 30 2.446 -13.731 -1.929 1.00 0.00 C ATOM 449 CG LYS A 30 1.006 -14.174 -2.120 1.00 0.00 C ATOM 450 CD LYS A 30 0.527 -15.028 -0.957 1.00 0.00 C ATOM 451 CE LYS A 30 -0.557 -16.003 -1.391 1.00 0.00 C ATOM 452 NZ LYS A 30 -0.847 -17.015 -0.338 1.00 0.00 N ATOM 0 H LYS A 30 2.848 -11.309 -2.507 1.00 0.00 H new ATOM 0 HA LYS A 30 1.800 -12.683 -0.167 1.00 0.00 H new ATOM 0 HB2 LYS A 30 2.840 -13.385 -2.884 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.045 -14.591 -1.629 1.00 0.00 H new ATOM 0 HG2 LYS A 30 0.365 -13.298 -2.218 1.00 0.00 H new ATOM 0 HG3 LYS A 30 0.918 -14.739 -3.048 1.00 0.00 H new ATOM 0 HD2 LYS A 30 1.369 -15.580 -0.539 1.00 0.00 H new ATOM 0 HD3 LYS A 30 0.143 -14.384 -0.165 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -1.468 -15.452 -1.626 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -0.246 -16.509 -2.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -1.591 -17.660 -0.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 0.016 -17.558 -0.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -1.169 -16.534 0.526 1.00 0.00 H new ATOM 466 N TYR A 31 4.933 -12.009 -0.528 1.00 0.00 N ATOM 467 CA TYR A 31 6.246 -12.081 0.101 1.00 0.00 C ATOM 468 C TYR A 31 6.846 -10.689 0.271 1.00 0.00 C ATOM 469 O TYR A 31 6.454 -9.743 -0.413 1.00 0.00 O ATOM 470 CB TYR A 31 7.186 -12.955 -0.732 1.00 0.00 C ATOM 471 CG TYR A 31 6.470 -14.001 -1.556 1.00 0.00 C ATOM 472 CD1 TYR A 31 6.094 -15.216 -0.996 1.00 0.00 C ATOM 473 CD2 TYR A 31 6.170 -13.775 -2.893 1.00 0.00 C ATOM 474 CE1 TYR A 31 5.439 -16.175 -1.745 1.00 0.00 C ATOM 475 CE2 TYR A 31 5.514 -14.727 -3.649 1.00 0.00 C ATOM 476 CZ TYR A 31 5.152 -15.926 -3.071 1.00 0.00 C ATOM 477 OH TYR A 31 4.500 -16.878 -3.821 1.00 0.00 O ATOM 0 H TYR A 31 4.857 -11.311 -1.268 1.00 0.00 H new ATOM 0 HA TYR A 31 6.124 -12.527 1.088 1.00 0.00 H new ATOM 0 HB2 TYR A 31 7.768 -12.317 -1.397 1.00 0.00 H new ATOM 0 HB3 TYR A 31 7.893 -13.450 -0.066 1.00 0.00 H new ATOM 0 HD1 TYR A 31 6.317 -15.414 0.042 1.00 0.00 H new ATOM 0 HD2 TYR A 31 6.455 -12.839 -3.350 1.00 0.00 H new ATOM 0 HE1 TYR A 31 5.153 -17.114 -1.295 1.00 0.00 H new ATOM 0 HE2 TYR A 31 5.286 -14.534 -4.687 1.00 0.00 H new ATOM 0 HH TYR A 31 4.373 -16.545 -4.734 1.00 0.00 H new ATOM 487 N CYS A 32 7.799 -10.571 1.189 1.00 0.00 N ATOM 488 CA CYS A 32 8.455 -9.295 1.452 1.00 0.00 C ATOM 489 C CYS A 32 8.746 -8.555 0.149 1.00 0.00 C ATOM 490 O CYS A 32 8.767 -9.154 -0.925 1.00 0.00 O ATOM 491 CB CYS A 32 9.755 -9.516 2.227 1.00 0.00 C ATOM 492 SG CYS A 32 10.406 -8.016 3.031 1.00 0.00 S ATOM 0 H CYS A 32 8.135 -11.344 1.764 1.00 0.00 H new ATOM 0 HA CYS A 32 7.781 -8.685 2.054 1.00 0.00 H new ATOM 0 HB2 CYS A 32 9.587 -10.279 2.987 1.00 0.00 H new ATOM 0 HB3 CYS A 32 10.510 -9.907 1.545 1.00 0.00 H new ATOM 497 N ALA A 33 8.970 -7.249 0.255 1.00 0.00 N ATOM 498 CA ALA A 33 9.262 -6.428 -0.913 1.00 0.00 C ATOM 499 C ALA A 33 10.766 -6.277 -1.116 1.00 0.00 C ATOM 500 O ALA A 33 11.213 -5.558 -2.010 1.00 0.00 O ATOM 501 CB ALA A 33 8.607 -5.062 -0.775 1.00 0.00 C ATOM 0 H ALA A 33 8.955 -6.738 1.137 1.00 0.00 H new ATOM 0 HA ALA A 33 8.852 -6.929 -1.790 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.834 -4.459 -1.655 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.527 -5.183 -0.687 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.990 -4.563 0.115 1.00 0.00 H new ATOM 507 N ASP A 34 11.542 -6.958 -0.280 1.00 0.00 N ATOM 508 CA ASP A 34 12.997 -6.900 -0.368 1.00 0.00 C ATOM 509 C ASP A 34 13.598 -8.302 -0.365 1.00 0.00 C ATOM 510 O ASP A 34 14.334 -8.676 -1.278 1.00 0.00 O ATOM 511 CB ASP A 34 13.567 -6.084 0.794 1.00 0.00 C ATOM 512 CG ASP A 34 12.956 -4.700 0.883 1.00 0.00 C ATOM 513 OD1 ASP A 34 12.849 -4.029 -0.165 1.00 0.00 O ATOM 514 OD2 ASP A 34 12.586 -4.287 2.002 1.00 0.00 O ATOM 0 H ASP A 34 11.188 -7.557 0.466 1.00 0.00 H new ATOM 0 HA ASP A 34 13.261 -6.414 -1.307 1.00 0.00 H new ATOM 0 HB2 ASP A 34 13.391 -6.616 1.729 1.00 0.00 H new ATOM 0 HB3 ASP A 34 14.647 -5.994 0.676 1.00 0.00 H new ATOM 519 N CYS A 35 13.280 -9.074 0.669 1.00 0.00 N ATOM 520 CA CYS A 35 13.789 -10.434 0.793 1.00 0.00 C ATOM 521 C CYS A 35 12.745 -11.450 0.339 1.00 0.00 C ATOM 522 O CYS A 35 12.912 -12.654 0.530 1.00 0.00 O ATOM 523 CB CYS A 35 14.197 -10.718 2.241 1.00 0.00 C ATOM 524 SG CYS A 35 12.794 -10.864 3.393 1.00 0.00 S ATOM 0 H CYS A 35 12.672 -8.780 1.433 1.00 0.00 H new ATOM 0 HA CYS A 35 14.664 -10.527 0.150 1.00 0.00 H new ATOM 0 HB2 CYS A 35 14.775 -11.642 2.270 1.00 0.00 H new ATOM 0 HB3 CYS A 35 14.855 -9.920 2.585 1.00 0.00 H new ATOM 529 N GLU A 36 11.669 -10.954 -0.264 1.00 0.00 N ATOM 530 CA GLU A 36 10.597 -11.818 -0.745 1.00 0.00 C ATOM 531 C GLU A 36 10.318 -12.943 0.248 1.00 0.00 C ATOM 532 O GLU A 36 9.987 -14.062 -0.143 1.00 0.00 O ATOM 533 CB GLU A 36 10.960 -12.406 -2.110 1.00 0.00 C ATOM 534 CG GLU A 36 12.096 -13.414 -2.056 1.00 0.00 C ATOM 535 CD GLU A 36 12.360 -14.068 -3.398 1.00 0.00 C ATOM 536 OE1 GLU A 36 11.383 -14.430 -4.085 1.00 0.00 O ATOM 537 OE2 GLU A 36 13.546 -14.217 -3.762 1.00 0.00 O ATOM 0 H GLU A 36 11.517 -9.959 -0.431 1.00 0.00 H new ATOM 0 HA GLU A 36 9.695 -11.214 -0.846 1.00 0.00 H new ATOM 0 HB2 GLU A 36 10.079 -12.887 -2.535 1.00 0.00 H new ATOM 0 HB3 GLU A 36 11.237 -11.595 -2.784 1.00 0.00 H new ATOM 0 HG2 GLU A 36 13.003 -12.915 -1.714 1.00 0.00 H new ATOM 0 HG3 GLU A 36 11.859 -14.184 -1.321 1.00 0.00 H new ATOM 544 N ALA A 37 10.456 -12.637 1.534 1.00 0.00 N ATOM 545 CA ALA A 37 10.217 -13.620 2.583 1.00 0.00 C ATOM 546 C ALA A 37 8.787 -14.146 2.528 1.00 0.00 C ATOM 547 O ALA A 37 7.863 -13.424 2.151 1.00 0.00 O ATOM 548 CB ALA A 37 10.508 -13.016 3.949 1.00 0.00 C ATOM 0 H ALA A 37 10.732 -11.716 1.874 1.00 0.00 H new ATOM 0 HA ALA A 37 10.891 -14.461 2.419 1.00 0.00 H new ATOM 0 HB1 ALA A 37 10.325 -13.761 4.723 1.00 0.00 H new ATOM 0 HB2 ALA A 37 11.549 -12.697 3.991 1.00 0.00 H new ATOM 0 HB3 ALA A 37 9.858 -12.156 4.113 1.00 0.00 H new ATOM 554 N LYS A 38 8.610 -15.407 2.907 1.00 0.00 N ATOM 555 CA LYS A 38 7.291 -16.030 2.902 1.00 0.00 C ATOM 556 C LYS A 38 6.529 -15.700 4.182 1.00 0.00 C ATOM 557 O LYS A 38 6.895 -16.150 5.267 1.00 0.00 O ATOM 558 CB LYS A 38 7.422 -17.547 2.750 1.00 0.00 C ATOM 559 CG LYS A 38 6.283 -18.180 1.970 1.00 0.00 C ATOM 560 CD LYS A 38 6.621 -18.307 0.494 1.00 0.00 C ATOM 561 CE LYS A 38 7.657 -19.394 0.251 1.00 0.00 C ATOM 562 NZ LYS A 38 8.078 -19.449 -1.176 1.00 0.00 N ATOM 0 H LYS A 38 9.364 -16.018 3.222 1.00 0.00 H new ATOM 0 HA LYS A 38 6.732 -15.633 2.055 1.00 0.00 H new ATOM 0 HB2 LYS A 38 8.364 -17.774 2.250 1.00 0.00 H new ATOM 0 HB3 LYS A 38 7.469 -18.000 3.740 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.064 -19.166 2.380 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.382 -17.578 2.087 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.716 -18.533 -0.069 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.998 -17.354 0.123 1.00 0.00 H new ATOM 0 HE2 LYS A 38 8.528 -19.212 0.880 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.246 -20.360 0.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 8.784 -20.202 -1.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 7.251 -19.647 -1.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 8.493 -18.536 -1.451 1.00 0.00 H new ATOM 576 N GLY A 39 5.466 -14.913 4.046 1.00 0.00 N ATOM 577 CA GLY A 39 4.669 -14.539 5.200 1.00 0.00 C ATOM 578 C GLY A 39 5.114 -13.225 5.811 1.00 0.00 C ATOM 579 O GLY A 39 5.407 -13.138 7.004 1.00 0.00 O ATOM 0 H GLY A 39 5.143 -14.528 3.158 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.622 -14.463 4.906 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.732 -15.326 5.952 1.00 0.00 H new ATOM 583 N PRO A 40 5.173 -12.172 4.982 1.00 0.00 N ATOM 584 CA PRO A 40 5.587 -10.838 5.426 1.00 0.00 C ATOM 585 C PRO A 40 4.556 -10.185 6.340 1.00 0.00 C ATOM 586 O PRO A 40 3.770 -9.343 5.904 1.00 0.00 O ATOM 587 CB PRO A 40 5.715 -10.053 4.118 1.00 0.00 C ATOM 588 CG PRO A 40 4.802 -10.749 3.168 1.00 0.00 C ATOM 589 CD PRO A 40 4.839 -12.203 3.548 1.00 0.00 C ATOM 0 HA PRO A 40 6.506 -10.870 6.012 1.00 0.00 H new ATOM 0 HB2 PRO A 40 5.427 -9.010 4.252 1.00 0.00 H new ATOM 0 HB3 PRO A 40 6.742 -10.055 3.754 1.00 0.00 H new ATOM 0 HG2 PRO A 40 3.789 -10.353 3.239 1.00 0.00 H new ATOM 0 HG3 PRO A 40 5.128 -10.606 2.138 1.00 0.00 H new ATOM 0 HD2 PRO A 40 3.880 -12.690 3.369 1.00 0.00 H new ATOM 0 HD3 PRO A 40 5.586 -12.750 2.973 1.00 0.00 H new ATOM 597 N ARG A 41 4.564 -10.578 7.609 1.00 0.00 N ATOM 598 CA ARG A 41 3.629 -10.031 8.585 1.00 0.00 C ATOM 599 C ARG A 41 3.722 -8.509 8.634 1.00 0.00 C ATOM 600 O ARG A 41 2.877 -7.808 8.078 1.00 0.00 O ATOM 601 CB ARG A 41 3.906 -10.614 9.972 1.00 0.00 C ATOM 602 CG ARG A 41 3.188 -9.884 11.094 1.00 0.00 C ATOM 603 CD ARG A 41 1.677 -9.996 10.954 1.00 0.00 C ATOM 604 NE ARG A 41 1.150 -11.174 11.638 1.00 0.00 N ATOM 605 CZ ARG A 41 0.002 -11.758 11.314 1.00 0.00 C ATOM 606 NH1 ARG A 41 -0.735 -11.277 10.322 1.00 0.00 N ATOM 607 NH2 ARG A 41 -0.412 -12.827 11.983 1.00 0.00 N ATOM 0 H ARG A 41 5.208 -11.274 7.986 1.00 0.00 H new ATOM 0 HA ARG A 41 2.620 -10.307 8.277 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.607 -11.662 9.982 1.00 0.00 H new ATOM 0 HB3 ARG A 41 4.979 -10.587 10.161 1.00 0.00 H new ATOM 0 HG2 ARG A 41 3.497 -10.297 12.054 1.00 0.00 H new ATOM 0 HG3 ARG A 41 3.478 -8.833 11.090 1.00 0.00 H new ATOM 0 HD2 ARG A 41 1.208 -9.100 11.361 1.00 0.00 H new ATOM 0 HD3 ARG A 41 1.413 -10.042 9.897 1.00 0.00 H new ATOM 0 HE ARG A 41 1.693 -11.569 12.406 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -0.421 -10.456 9.805 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -1.616 -11.728 10.076 1.00 0.00 H new ATOM 0 HH21 ARG A 41 0.152 -13.201 12.747 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -1.294 -13.275 11.734 1.00 0.00 H new ATOM 621 N TRP A 42 4.754 -8.006 9.301 1.00 0.00 N ATOM 622 CA TRP A 42 4.957 -6.567 9.423 1.00 0.00 C ATOM 623 C TRP A 42 4.721 -5.869 8.088 1.00 0.00 C ATOM 624 O TRP A 42 4.628 -6.518 7.046 1.00 0.00 O ATOM 625 CB TRP A 42 6.372 -6.271 9.924 1.00 0.00 C ATOM 626 CG TRP A 42 6.634 -6.791 11.305 1.00 0.00 C ATOM 627 CD1 TRP A 42 6.870 -8.088 11.661 1.00 0.00 C ATOM 628 CD2 TRP A 42 6.684 -6.025 12.513 1.00 0.00 C ATOM 629 NE1 TRP A 42 7.064 -8.175 13.018 1.00 0.00 N ATOM 630 CE2 TRP A 42 6.956 -6.923 13.564 1.00 0.00 C ATOM 631 CE3 TRP A 42 6.528 -4.669 12.810 1.00 0.00 C ATOM 632 CZ2 TRP A 42 7.073 -6.506 14.887 1.00 0.00 C ATOM 633 CZ3 TRP A 42 6.645 -4.257 14.124 1.00 0.00 C ATOM 634 CH2 TRP A 42 6.916 -5.172 15.149 1.00 0.00 C ATOM 0 H TRP A 42 5.463 -8.573 9.766 1.00 0.00 H new ATOM 0 HA TRP A 42 4.236 -6.184 10.145 1.00 0.00 H new ATOM 0 HB2 TRP A 42 7.093 -6.711 9.235 1.00 0.00 H new ATOM 0 HB3 TRP A 42 6.536 -5.193 9.912 1.00 0.00 H new ATOM 0 HD1 TRP A 42 6.900 -8.923 10.976 1.00 0.00 H new ATOM 0 HE1 TRP A 42 7.257 -9.033 13.535 1.00 0.00 H new ATOM 0 HE3 TRP A 42 6.320 -3.955 12.027 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 7.280 -7.211 15.679 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 6.525 -3.211 14.365 1.00 0.00 H new ATOM 0 HH2 TRP A 42 7.003 -4.818 16.166 1.00 0.00 H new ATOM 645 N ALA A 43 4.626 -4.544 8.126 1.00 0.00 N ATOM 646 CA ALA A 43 4.403 -3.759 6.918 1.00 0.00 C ATOM 647 C ALA A 43 4.705 -2.284 7.159 1.00 0.00 C ATOM 648 O ALA A 43 4.536 -1.779 8.269 1.00 0.00 O ATOM 649 CB ALA A 43 2.972 -3.934 6.432 1.00 0.00 C ATOM 0 H ALA A 43 4.700 -3.992 8.980 1.00 0.00 H new ATOM 0 HA ALA A 43 5.084 -4.121 6.148 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.819 -3.342 5.529 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.789 -4.986 6.212 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.281 -3.600 7.206 1.00 0.00 H new ATOM 655 N SER A 44 5.154 -1.598 6.112 1.00 0.00 N ATOM 656 CA SER A 44 5.485 -0.181 6.212 1.00 0.00 C ATOM 657 C SER A 44 4.433 0.672 5.510 1.00 0.00 C ATOM 658 O SER A 44 4.329 0.664 4.283 1.00 0.00 O ATOM 659 CB SER A 44 6.863 0.086 5.604 1.00 0.00 C ATOM 660 OG SER A 44 7.456 1.240 6.174 1.00 0.00 O ATOM 0 H SER A 44 5.297 -2.000 5.186 1.00 0.00 H new ATOM 0 HA SER A 44 5.503 0.090 7.268 1.00 0.00 H new ATOM 0 HB2 SER A 44 7.509 -0.777 5.766 1.00 0.00 H new ATOM 0 HB3 SER A 44 6.769 0.216 4.526 1.00 0.00 H new ATOM 0 HG SER A 44 7.029 1.436 7.034 1.00 0.00 H new ATOM 666 N TRP A 45 3.656 1.408 6.297 1.00 0.00 N ATOM 667 CA TRP A 45 2.611 2.267 5.752 1.00 0.00 C ATOM 668 C TRP A 45 3.215 3.460 5.018 1.00 0.00 C ATOM 669 O TRP A 45 2.948 3.673 3.837 1.00 0.00 O ATOM 670 CB TRP A 45 1.688 2.755 6.870 1.00 0.00 C ATOM 671 CG TRP A 45 2.420 3.419 7.997 1.00 0.00 C ATOM 672 CD1 TRP A 45 3.111 2.802 9.001 1.00 0.00 C ATOM 673 CD2 TRP A 45 2.531 4.826 8.235 1.00 0.00 C ATOM 674 NE1 TRP A 45 3.646 3.742 9.849 1.00 0.00 N ATOM 675 CE2 TRP A 45 3.305 4.991 9.401 1.00 0.00 C ATOM 676 CE3 TRP A 45 2.055 5.963 7.577 1.00 0.00 C ATOM 677 CZ2 TRP A 45 3.610 6.247 9.920 1.00 0.00 C ATOM 678 CZ3 TRP A 45 2.358 7.208 8.094 1.00 0.00 C ATOM 679 CH2 TRP A 45 3.130 7.342 9.255 1.00 0.00 C ATOM 0 H TRP A 45 3.730 1.427 7.314 1.00 0.00 H new ATOM 0 HA TRP A 45 2.029 1.682 5.040 1.00 0.00 H new ATOM 0 HB2 TRP A 45 0.964 3.455 6.454 1.00 0.00 H new ATOM 0 HB3 TRP A 45 1.124 1.908 7.261 1.00 0.00 H new ATOM 0 HD1 TRP A 45 3.221 1.733 9.112 1.00 0.00 H new ATOM 0 HE1 TRP A 45 4.206 3.542 10.678 1.00 0.00 H new ATOM 0 HE3 TRP A 45 1.461 5.870 6.680 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 4.204 6.353 10.816 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 1.993 8.093 7.594 1.00 0.00 H new ATOM 0 HH2 TRP A 45 3.351 8.329 9.633 1.00 0.00 H new ATOM 690 N ASN A 46 4.031 4.233 5.727 1.00 0.00 N ATOM 691 CA ASN A 46 4.673 5.405 5.142 1.00 0.00 C ATOM 692 C ASN A 46 5.022 5.160 3.677 1.00 0.00 C ATOM 693 O ASN A 46 4.741 5.992 2.814 1.00 0.00 O ATOM 694 CB ASN A 46 5.937 5.765 5.925 1.00 0.00 C ATOM 695 CG ASN A 46 6.787 6.797 5.210 1.00 0.00 C ATOM 696 OD1 ASN A 46 7.879 6.347 4.603 1.00 0.00 O flip ATOM 697 ND2 ASN A 46 6.464 7.985 5.202 1.00 0.00 N flip ATOM 0 H ASN A 46 4.263 4.069 6.707 1.00 0.00 H new ATOM 0 HA ASN A 46 3.971 6.237 5.196 1.00 0.00 H new ATOM 0 HB2 ASN A 46 5.656 6.147 6.907 1.00 0.00 H new ATOM 0 HB3 ASN A 46 6.527 4.864 6.090 1.00 0.00 H new ATOM 0 HD21 ASN A 46 5.616 8.286 5.682 1.00 0.00 H new ATOM 0 HD22 ASN A 46 7.044 8.668 4.715 1.00 0.00 H new ATOM 704 N ILE A 47 5.634 4.013 3.404 1.00 0.00 N ATOM 705 CA ILE A 47 6.019 3.657 2.044 1.00 0.00 C ATOM 706 C ILE A 47 4.861 3.003 1.298 1.00 0.00 C ATOM 707 O ILE A 47 4.545 3.379 0.170 1.00 0.00 O ATOM 708 CB ILE A 47 7.227 2.702 2.032 1.00 0.00 C ATOM 709 CG1 ILE A 47 8.452 3.387 2.641 1.00 0.00 C ATOM 710 CG2 ILE A 47 7.523 2.240 0.613 1.00 0.00 C ATOM 711 CD1 ILE A 47 9.661 2.483 2.744 1.00 0.00 C ATOM 0 H ILE A 47 5.874 3.314 4.107 1.00 0.00 H new ATOM 0 HA ILE A 47 6.294 4.584 1.542 1.00 0.00 H new ATOM 0 HB ILE A 47 6.986 1.827 2.635 1.00 0.00 H new ATOM 0 HG12 ILE A 47 8.709 4.257 2.037 1.00 0.00 H new ATOM 0 HG13 ILE A 47 8.197 3.753 3.635 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.379 1.566 0.621 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.654 1.718 0.211 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.748 3.104 -0.012 1.00 0.00 H new ATOM 0 HD11 ILE A 47 10.491 3.035 3.184 1.00 0.00 H new ATOM 0 HD12 ILE A 47 9.421 1.625 3.372 1.00 0.00 H new ATOM 0 HD13 ILE A 47 9.942 2.137 1.749 1.00 0.00 H new ATOM 723 N GLY A 48 4.230 2.023 1.937 1.00 0.00 N ATOM 724 CA GLY A 48 3.113 1.333 1.320 1.00 0.00 C ATOM 725 C GLY A 48 3.495 -0.036 0.795 1.00 0.00 C ATOM 726 O GLY A 48 3.055 -0.442 -0.281 1.00 0.00 O ATOM 0 H GLY A 48 4.473 1.695 2.872 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.308 1.228 2.048 1.00 0.00 H new ATOM 0 HA3 GLY A 48 2.725 1.938 0.500 1.00 0.00 H new ATOM 730 N VAL A 49 4.319 -0.751 1.555 1.00 0.00 N ATOM 731 CA VAL A 49 4.761 -2.083 1.160 1.00 0.00 C ATOM 732 C VAL A 49 4.827 -3.019 2.362 1.00 0.00 C ATOM 733 O VAL A 49 5.096 -2.588 3.483 1.00 0.00 O ATOM 734 CB VAL A 49 6.143 -2.037 0.482 1.00 0.00 C ATOM 735 CG1 VAL A 49 6.093 -1.185 -0.777 1.00 0.00 C ATOM 736 CG2 VAL A 49 7.194 -1.512 1.449 1.00 0.00 C ATOM 0 H VAL A 49 4.694 -0.430 2.448 1.00 0.00 H new ATOM 0 HA VAL A 49 4.028 -2.462 0.448 1.00 0.00 H new ATOM 0 HB VAL A 49 6.421 -3.051 0.195 1.00 0.00 H new ATOM 0 HG11 VAL A 49 7.079 -1.165 -1.242 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.371 -1.609 -1.475 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.793 -0.170 -0.518 1.00 0.00 H new ATOM 0 HG21 VAL A 49 8.164 -1.486 0.953 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.923 -0.506 1.769 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.248 -2.167 2.318 1.00 0.00 H new ATOM 746 N PHE A 50 4.582 -4.302 2.119 1.00 0.00 N ATOM 747 CA PHE A 50 4.613 -5.300 3.182 1.00 0.00 C ATOM 748 C PHE A 50 6.001 -5.923 3.302 1.00 0.00 C ATOM 749 O PHE A 50 6.544 -6.446 2.329 1.00 0.00 O ATOM 750 CB PHE A 50 3.573 -6.391 2.917 1.00 0.00 C ATOM 751 CG PHE A 50 2.161 -5.881 2.897 1.00 0.00 C ATOM 752 CD1 PHE A 50 1.438 -5.759 4.073 1.00 0.00 C ATOM 753 CD2 PHE A 50 1.555 -5.524 1.703 1.00 0.00 C ATOM 754 CE1 PHE A 50 0.138 -5.289 4.058 1.00 0.00 C ATOM 755 CE2 PHE A 50 0.256 -5.054 1.682 1.00 0.00 C ATOM 756 CZ PHE A 50 -0.454 -4.937 2.861 1.00 0.00 C ATOM 0 H PHE A 50 4.360 -4.675 1.196 1.00 0.00 H new ATOM 0 HA PHE A 50 4.375 -4.802 4.122 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.793 -6.867 1.961 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.662 -7.161 3.684 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.895 -6.034 5.012 1.00 0.00 H new ATOM 0 HD2 PHE A 50 2.105 -5.614 0.778 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.414 -5.197 4.982 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -0.204 -4.778 0.745 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.470 -4.571 2.847 1.00 0.00 H new ATOM 766 N ILE A 51 6.567 -5.862 4.503 1.00 0.00 N ATOM 767 CA ILE A 51 7.891 -6.421 4.751 1.00 0.00 C ATOM 768 C ILE A 51 7.878 -7.348 5.961 1.00 0.00 C ATOM 769 O ILE A 51 6.989 -7.268 6.810 1.00 0.00 O ATOM 770 CB ILE A 51 8.936 -5.312 4.979 1.00 0.00 C ATOM 771 CG1 ILE A 51 8.443 -4.329 6.043 1.00 0.00 C ATOM 772 CG2 ILE A 51 9.231 -4.586 3.675 1.00 0.00 C ATOM 773 CD1 ILE A 51 9.498 -3.337 6.483 1.00 0.00 C ATOM 0 H ILE A 51 6.130 -5.432 5.318 1.00 0.00 H new ATOM 0 HA ILE A 51 8.165 -6.991 3.863 1.00 0.00 H new ATOM 0 HB ILE A 51 9.859 -5.770 5.334 1.00 0.00 H new ATOM 0 HG12 ILE A 51 7.583 -3.784 5.653 1.00 0.00 H new ATOM 0 HG13 ILE A 51 8.097 -4.889 6.912 1.00 0.00 H new ATOM 0 HG21 ILE A 51 9.971 -3.806 3.852 1.00 0.00 H new ATOM 0 HG22 ILE A 51 9.619 -5.295 2.944 1.00 0.00 H new ATOM 0 HG23 ILE A 51 8.314 -4.137 3.293 1.00 0.00 H new ATOM 0 HD11 ILE A 51 9.079 -2.672 7.238 1.00 0.00 H new ATOM 0 HD12 ILE A 51 10.349 -3.873 6.903 1.00 0.00 H new ATOM 0 HD13 ILE A 51 9.827 -2.751 5.625 1.00 0.00 H new ATOM 785 N CYS A 52 8.871 -8.229 6.035 1.00 0.00 N ATOM 786 CA CYS A 52 8.976 -9.172 7.141 1.00 0.00 C ATOM 787 C CYS A 52 9.438 -8.469 8.414 1.00 0.00 C ATOM 788 O CYS A 52 9.575 -7.245 8.444 1.00 0.00 O ATOM 789 CB CYS A 52 9.948 -10.300 6.787 1.00 0.00 C ATOM 790 SG CYS A 52 11.646 -9.737 6.445 1.00 0.00 S ATOM 0 H CYS A 52 9.614 -8.309 5.341 1.00 0.00 H new ATOM 0 HA CYS A 52 7.988 -9.595 7.319 1.00 0.00 H new ATOM 0 HB2 CYS A 52 9.972 -11.016 7.609 1.00 0.00 H new ATOM 0 HB3 CYS A 52 9.570 -10.831 5.913 1.00 0.00 H new ATOM 795 N ILE A 53 9.676 -9.250 9.462 1.00 0.00 N ATOM 796 CA ILE A 53 10.124 -8.702 10.737 1.00 0.00 C ATOM 797 C ILE A 53 11.608 -8.355 10.695 1.00 0.00 C ATOM 798 O ILE A 53 12.093 -7.558 11.499 1.00 0.00 O ATOM 799 CB ILE A 53 9.871 -9.687 11.893 1.00 0.00 C ATOM 800 CG1 ILE A 53 10.545 -9.189 13.173 1.00 0.00 C ATOM 801 CG2 ILE A 53 10.377 -11.074 11.527 1.00 0.00 C ATOM 802 CD1 ILE A 53 10.017 -9.846 14.429 1.00 0.00 C ATOM 0 H ILE A 53 9.566 -10.264 9.454 1.00 0.00 H new ATOM 0 HA ILE A 53 9.546 -7.794 10.911 1.00 0.00 H new ATOM 0 HB ILE A 53 8.797 -9.748 12.070 1.00 0.00 H new ATOM 0 HG12 ILE A 53 11.618 -9.368 13.102 1.00 0.00 H new ATOM 0 HG13 ILE A 53 10.406 -8.111 13.251 1.00 0.00 H new ATOM 0 HG21 ILE A 53 10.191 -11.759 12.354 1.00 0.00 H new ATOM 0 HG22 ILE A 53 9.856 -11.429 10.638 1.00 0.00 H new ATOM 0 HG23 ILE A 53 11.447 -11.030 11.326 1.00 0.00 H new ATOM 0 HD11 ILE A 53 10.540 -9.445 15.297 1.00 0.00 H new ATOM 0 HD12 ILE A 53 8.950 -9.645 14.524 1.00 0.00 H new ATOM 0 HD13 ILE A 53 10.180 -10.922 14.373 1.00 0.00 H new ATOM 814 N ARG A 54 12.324 -8.956 9.750 1.00 0.00 N ATOM 815 CA ARG A 54 13.754 -8.710 9.603 1.00 0.00 C ATOM 816 C ARG A 54 14.008 -7.345 8.969 1.00 0.00 C ATOM 817 O ARG A 54 14.658 -6.484 9.563 1.00 0.00 O ATOM 818 CB ARG A 54 14.396 -9.807 8.752 1.00 0.00 C ATOM 819 CG ARG A 54 15.897 -9.641 8.576 1.00 0.00 C ATOM 820 CD ARG A 54 16.226 -8.832 7.331 1.00 0.00 C ATOM 821 NE ARG A 54 15.998 -9.594 6.107 1.00 0.00 N ATOM 822 CZ ARG A 54 16.886 -10.436 5.589 1.00 0.00 C ATOM 823 NH1 ARG A 54 18.055 -10.622 6.187 1.00 0.00 N ATOM 824 NH2 ARG A 54 16.605 -11.094 4.471 1.00 0.00 N ATOM 0 H ARG A 54 11.938 -9.616 9.075 1.00 0.00 H new ATOM 0 HA ARG A 54 14.204 -8.720 10.596 1.00 0.00 H new ATOM 0 HB2 ARG A 54 14.197 -10.775 9.212 1.00 0.00 H new ATOM 0 HB3 ARG A 54 13.922 -9.818 7.770 1.00 0.00 H new ATOM 0 HG2 ARG A 54 16.315 -9.147 9.453 1.00 0.00 H new ATOM 0 HG3 ARG A 54 16.367 -10.622 8.509 1.00 0.00 H new ATOM 0 HD2 ARG A 54 15.616 -7.929 7.314 1.00 0.00 H new ATOM 0 HD3 ARG A 54 17.268 -8.513 7.371 1.00 0.00 H new ATOM 0 HE ARG A 54 15.108 -9.474 5.623 1.00 0.00 H new ATOM 0 HH11 ARG A 54 18.274 -10.118 7.046 1.00 0.00 H new ATOM 0 HH12 ARG A 54 18.735 -11.269 5.788 1.00 0.00 H new ATOM 0 HH21 ARG A 54 15.707 -10.954 4.009 1.00 0.00 H new ATOM 0 HH22 ARG A 54 17.287 -11.740 4.074 1.00 0.00 H new ATOM 838 N CYS A 55 13.492 -7.155 7.760 1.00 0.00 N ATOM 839 CA CYS A 55 13.663 -5.896 7.044 1.00 0.00 C ATOM 840 C CYS A 55 13.166 -4.722 7.883 1.00 0.00 C ATOM 841 O CYS A 55 13.806 -3.672 7.941 1.00 0.00 O ATOM 842 CB CYS A 55 12.914 -5.937 5.711 1.00 0.00 C ATOM 843 SG CYS A 55 13.613 -7.106 4.501 1.00 0.00 S ATOM 0 H CYS A 55 12.951 -7.857 7.255 1.00 0.00 H new ATOM 0 HA CYS A 55 14.727 -5.758 6.851 1.00 0.00 H new ATOM 0 HB2 CYS A 55 11.874 -6.204 5.899 1.00 0.00 H new ATOM 0 HB3 CYS A 55 12.913 -4.938 5.276 1.00 0.00 H new ATOM 848 N ALA A 56 12.021 -4.908 8.532 1.00 0.00 N ATOM 849 CA ALA A 56 11.440 -3.866 9.369 1.00 0.00 C ATOM 850 C ALA A 56 12.481 -3.277 10.315 1.00 0.00 C ATOM 851 O ALA A 56 12.652 -2.061 10.387 1.00 0.00 O ATOM 852 CB ALA A 56 10.261 -4.418 10.157 1.00 0.00 C ATOM 0 H ALA A 56 11.478 -5.770 8.494 1.00 0.00 H new ATOM 0 HA ALA A 56 11.086 -3.067 8.718 1.00 0.00 H new ATOM 0 HB1 ALA A 56 9.837 -3.629 10.778 1.00 0.00 H new ATOM 0 HB2 ALA A 56 9.501 -4.784 9.466 1.00 0.00 H new ATOM 0 HB3 ALA A 56 10.599 -5.237 10.792 1.00 0.00 H new ATOM 858 N GLY A 57 13.175 -4.149 11.041 1.00 0.00 N ATOM 859 CA GLY A 57 14.191 -3.695 11.973 1.00 0.00 C ATOM 860 C GLY A 57 15.132 -2.680 11.357 1.00 0.00 C ATOM 861 O GLY A 57 15.490 -1.689 11.995 1.00 0.00 O ATOM 0 H GLY A 57 13.052 -5.161 11.000 1.00 0.00 H new ATOM 0 HA2 GLY A 57 13.708 -3.255 12.846 1.00 0.00 H new ATOM 0 HA3 GLY A 57 14.766 -4.552 12.325 1.00 0.00 H new ATOM 865 N ILE A 58 15.535 -2.927 10.115 1.00 0.00 N ATOM 866 CA ILE A 58 16.442 -2.026 9.414 1.00 0.00 C ATOM 867 C ILE A 58 15.739 -0.728 9.030 1.00 0.00 C ATOM 868 O ILE A 58 16.367 0.327 8.939 1.00 0.00 O ATOM 869 CB ILE A 58 17.015 -2.682 8.144 1.00 0.00 C ATOM 870 CG1 ILE A 58 17.892 -3.880 8.514 1.00 0.00 C ATOM 871 CG2 ILE A 58 17.811 -1.666 7.337 1.00 0.00 C ATOM 872 CD1 ILE A 58 17.141 -5.193 8.537 1.00 0.00 C ATOM 0 H ILE A 58 15.248 -3.743 9.574 1.00 0.00 H new ATOM 0 HA ILE A 58 17.260 -1.804 10.099 1.00 0.00 H new ATOM 0 HB ILE A 58 16.187 -3.037 7.531 1.00 0.00 H new ATOM 0 HG12 ILE A 58 18.713 -3.953 7.801 1.00 0.00 H new ATOM 0 HG13 ILE A 58 18.335 -3.707 9.495 1.00 0.00 H new ATOM 0 HG21 ILE A 58 18.210 -2.144 6.442 1.00 0.00 H new ATOM 0 HG22 ILE A 58 17.160 -0.841 7.048 1.00 0.00 H new ATOM 0 HG23 ILE A 58 18.634 -1.285 7.942 1.00 0.00 H new ATOM 0 HD11 ILE A 58 17.824 -5.998 8.807 1.00 0.00 H new ATOM 0 HD12 ILE A 58 16.336 -5.139 9.270 1.00 0.00 H new ATOM 0 HD13 ILE A 58 16.721 -5.389 7.551 1.00 0.00 H new ATOM 884 N HIS A 59 14.431 -0.814 8.806 1.00 0.00 N ATOM 885 CA HIS A 59 13.641 0.354 8.433 1.00 0.00 C ATOM 886 C HIS A 59 13.566 1.349 9.588 1.00 0.00 C ATOM 887 O HIS A 59 13.812 2.542 9.409 1.00 0.00 O ATOM 888 CB HIS A 59 12.233 -0.068 8.016 1.00 0.00 C ATOM 889 CG HIS A 59 12.119 -0.421 6.565 1.00 0.00 C ATOM 890 ND1 HIS A 59 11.513 0.399 5.636 1.00 0.00 N ATOM 891 CD2 HIS A 59 12.539 -1.513 5.883 1.00 0.00 C ATOM 892 CE1 HIS A 59 11.564 -0.174 4.447 1.00 0.00 C ATOM 893 NE2 HIS A 59 12.183 -1.335 4.569 1.00 0.00 N ATOM 0 H HIS A 59 13.896 -1.680 8.876 1.00 0.00 H new ATOM 0 HA HIS A 59 14.131 0.839 7.589 1.00 0.00 H new ATOM 0 HB2 HIS A 59 11.927 -0.926 8.615 1.00 0.00 H new ATOM 0 HB3 HIS A 59 11.538 0.742 8.240 1.00 0.00 H new ATOM 0 HD2 HIS A 59 13.058 -2.366 6.296 1.00 0.00 H new ATOM 0 HE1 HIS A 59 11.167 0.237 3.530 1.00 0.00 H new ATOM 0 HE2 HIS A 59 12.366 -1.992 3.811 1.00 0.00 H new ATOM 901 N ARG A 60 13.222 0.851 10.771 1.00 0.00 N ATOM 902 CA ARG A 60 13.112 1.696 11.953 1.00 0.00 C ATOM 903 C ARG A 60 14.378 2.525 12.149 1.00 0.00 C ATOM 904 O ARG A 60 14.313 3.701 12.505 1.00 0.00 O ATOM 905 CB ARG A 60 12.853 0.841 13.195 1.00 0.00 C ATOM 906 CG ARG A 60 11.936 -0.344 12.938 1.00 0.00 C ATOM 907 CD ARG A 60 11.489 -0.995 14.238 1.00 0.00 C ATOM 908 NE ARG A 60 10.683 -0.091 15.054 1.00 0.00 N ATOM 909 CZ ARG A 60 11.195 0.745 15.950 1.00 0.00 C ATOM 910 NH1 ARG A 60 12.505 0.792 16.144 1.00 0.00 N ATOM 911 NH2 ARG A 60 10.395 1.537 16.653 1.00 0.00 N ATOM 0 H ARG A 60 13.015 -0.134 10.936 1.00 0.00 H new ATOM 0 HA ARG A 60 12.272 2.375 11.806 1.00 0.00 H new ATOM 0 HB2 ARG A 60 13.805 0.476 13.580 1.00 0.00 H new ATOM 0 HB3 ARG A 60 12.414 1.467 13.972 1.00 0.00 H new ATOM 0 HG2 ARG A 60 11.062 -0.014 12.376 1.00 0.00 H new ATOM 0 HG3 ARG A 60 12.453 -1.079 12.321 1.00 0.00 H new ATOM 0 HD2 ARG A 60 10.913 -1.893 14.014 1.00 0.00 H new ATOM 0 HD3 ARG A 60 12.365 -1.311 14.805 1.00 0.00 H new ATOM 0 HE ARG A 60 9.671 -0.102 14.929 1.00 0.00 H new ATOM 0 HH11 ARG A 60 13.123 0.185 15.605 1.00 0.00 H new ATOM 0 HH12 ARG A 60 12.896 1.435 16.833 1.00 0.00 H new ATOM 0 HH21 ARG A 60 9.386 1.504 16.505 1.00 0.00 H new ATOM 0 HH22 ARG A 60 10.789 2.179 17.341 1.00 0.00 H new ATOM 925 N ASN A 61 15.529 1.903 11.914 1.00 0.00 N ATOM 926 CA ASN A 61 16.810 2.583 12.065 1.00 0.00 C ATOM 927 C ASN A 61 16.876 3.823 11.177 1.00 0.00 C ATOM 928 O ASN A 61 17.211 4.914 11.640 1.00 0.00 O ATOM 929 CB ASN A 61 17.959 1.634 11.720 1.00 0.00 C ATOM 930 CG ASN A 61 17.956 0.386 12.582 1.00 0.00 C ATOM 931 OD1 ASN A 61 17.199 0.287 13.548 1.00 0.00 O ATOM 932 ND2 ASN A 61 18.805 -0.574 12.236 1.00 0.00 N ATOM 0 H ASN A 61 15.601 0.929 11.618 1.00 0.00 H new ATOM 0 HA ASN A 61 16.906 2.896 13.105 1.00 0.00 H new ATOM 0 HB2 ASN A 61 17.888 1.348 10.671 1.00 0.00 H new ATOM 0 HB3 ASN A 61 18.908 2.156 11.844 1.00 0.00 H new ATOM 0 HD21 ASN A 61 18.848 -1.437 12.779 1.00 0.00 H new ATOM 0 HD22 ASN A 61 19.414 -0.449 11.427 1.00 0.00 H new ATOM 939 N LEU A 62 16.554 3.647 9.901 1.00 0.00 N ATOM 940 CA LEU A 62 16.576 4.751 8.947 1.00 0.00 C ATOM 941 C LEU A 62 16.075 6.038 9.593 1.00 0.00 C ATOM 942 O LEU A 62 16.794 7.035 9.654 1.00 0.00 O ATOM 943 CB LEU A 62 15.720 4.412 7.726 1.00 0.00 C ATOM 944 CG LEU A 62 15.993 3.059 7.068 1.00 0.00 C ATOM 945 CD1 LEU A 62 15.166 2.905 5.801 1.00 0.00 C ATOM 946 CD2 LEU A 62 17.475 2.905 6.762 1.00 0.00 C ATOM 0 H LEU A 62 16.274 2.751 9.502 1.00 0.00 H new ATOM 0 HA LEU A 62 17.607 4.904 8.629 1.00 0.00 H new ATOM 0 HB2 LEU A 62 14.672 4.444 8.022 1.00 0.00 H new ATOM 0 HB3 LEU A 62 15.864 5.192 6.979 1.00 0.00 H new ATOM 0 HG LEU A 62 15.702 2.272 7.764 1.00 0.00 H new ATOM 0 HD11 LEU A 62 15.374 1.936 5.347 1.00 0.00 H new ATOM 0 HD12 LEU A 62 14.106 2.970 6.048 1.00 0.00 H new ATOM 0 HD13 LEU A 62 15.425 3.698 5.099 1.00 0.00 H new ATOM 0 HD21 LEU A 62 17.651 1.936 6.294 1.00 0.00 H new ATOM 0 HD22 LEU A 62 17.791 3.698 6.084 1.00 0.00 H new ATOM 0 HD23 LEU A 62 18.046 2.970 7.688 1.00 0.00 H new ATOM 958 N GLY A 63 14.837 6.009 10.076 1.00 0.00 N ATOM 959 CA GLY A 63 14.262 7.179 10.714 1.00 0.00 C ATOM 960 C GLY A 63 12.787 7.343 10.402 1.00 0.00 C ATOM 961 O GLY A 63 12.374 7.235 9.247 1.00 0.00 O ATOM 0 H GLY A 63 14.222 5.196 10.037 1.00 0.00 H new ATOM 0 HA2 GLY A 63 14.396 7.103 11.793 1.00 0.00 H new ATOM 0 HA3 GLY A 63 14.800 8.069 10.388 1.00 0.00 H new ATOM 965 N VAL A 64 11.991 7.603 11.434 1.00 0.00 N ATOM 966 CA VAL A 64 10.554 7.782 11.264 1.00 0.00 C ATOM 967 C VAL A 64 10.248 8.676 10.068 1.00 0.00 C ATOM 968 O VAL A 64 9.212 8.530 9.419 1.00 0.00 O ATOM 969 CB VAL A 64 9.912 8.393 12.524 1.00 0.00 C ATOM 970 CG1 VAL A 64 10.093 7.468 13.718 1.00 0.00 C ATOM 971 CG2 VAL A 64 10.501 9.766 12.809 1.00 0.00 C ATOM 0 H VAL A 64 12.317 7.694 12.396 1.00 0.00 H new ATOM 0 HA VAL A 64 10.131 6.792 11.092 1.00 0.00 H new ATOM 0 HB VAL A 64 8.843 8.511 12.345 1.00 0.00 H new ATOM 0 HG11 VAL A 64 9.633 7.916 14.599 1.00 0.00 H new ATOM 0 HG12 VAL A 64 9.619 6.509 13.510 1.00 0.00 H new ATOM 0 HG13 VAL A 64 11.156 7.315 13.902 1.00 0.00 H new ATOM 0 HG21 VAL A 64 10.036 10.183 13.702 1.00 0.00 H new ATOM 0 HG22 VAL A 64 11.576 9.675 12.968 1.00 0.00 H new ATOM 0 HG23 VAL A 64 10.314 10.425 11.961 1.00 0.00 H new ATOM 981 N HIS A 65 11.158 9.601 9.779 1.00 0.00 N ATOM 982 CA HIS A 65 10.987 10.519 8.659 1.00 0.00 C ATOM 983 C HIS A 65 11.199 9.799 7.330 1.00 0.00 C ATOM 984 O HIS A 65 10.533 10.099 6.338 1.00 0.00 O ATOM 985 CB HIS A 65 11.961 11.691 8.778 1.00 0.00 C ATOM 986 CG HIS A 65 13.399 11.273 8.816 1.00 0.00 C ATOM 987 ND1 HIS A 65 13.976 10.659 9.907 1.00 0.00 N ATOM 988 CD2 HIS A 65 14.377 11.383 7.887 1.00 0.00 C ATOM 989 CE1 HIS A 65 15.248 10.411 9.649 1.00 0.00 C ATOM 990 NE2 HIS A 65 15.516 10.840 8.429 1.00 0.00 N ATOM 0 H HIS A 65 12.021 9.734 10.305 1.00 0.00 H new ATOM 0 HA HIS A 65 9.967 10.901 8.687 1.00 0.00 H new ATOM 0 HB2 HIS A 65 11.809 12.366 7.935 1.00 0.00 H new ATOM 0 HB3 HIS A 65 11.731 12.254 9.683 1.00 0.00 H new ATOM 0 HD2 HIS A 65 14.280 11.817 6.903 1.00 0.00 H new ATOM 0 HE1 HIS A 65 15.949 9.938 10.321 1.00 0.00 H new ATOM 0 HE2 HIS A 65 16.422 10.778 7.965 1.00 0.00 H new ATOM 998 N ILE A 66 12.130 8.851 7.318 1.00 0.00 N ATOM 999 CA ILE A 66 12.428 8.090 6.112 1.00 0.00 C ATOM 1000 C ILE A 66 11.381 7.008 5.871 1.00 0.00 C ATOM 1001 O ILE A 66 10.803 6.919 4.788 1.00 0.00 O ATOM 1002 CB ILE A 66 13.819 7.433 6.190 1.00 0.00 C ATOM 1003 CG1 ILE A 66 14.913 8.502 6.177 1.00 0.00 C ATOM 1004 CG2 ILE A 66 14.010 6.457 5.039 1.00 0.00 C ATOM 1005 CD1 ILE A 66 16.255 8.000 6.663 1.00 0.00 C ATOM 0 H ILE A 66 12.691 8.592 8.130 1.00 0.00 H new ATOM 0 HA ILE A 66 12.414 8.797 5.282 1.00 0.00 H new ATOM 0 HB ILE A 66 13.890 6.878 7.126 1.00 0.00 H new ATOM 0 HG12 ILE A 66 15.023 8.885 5.162 1.00 0.00 H new ATOM 0 HG13 ILE A 66 14.599 9.339 6.801 1.00 0.00 H new ATOM 0 HG21 ILE A 66 14.998 6.001 5.108 1.00 0.00 H new ATOM 0 HG22 ILE A 66 13.247 5.680 5.091 1.00 0.00 H new ATOM 0 HG23 ILE A 66 13.922 6.989 4.092 1.00 0.00 H new ATOM 0 HD11 ILE A 66 16.982 8.811 6.626 1.00 0.00 H new ATOM 0 HD12 ILE A 66 16.160 7.644 7.689 1.00 0.00 H new ATOM 0 HD13 ILE A 66 16.591 7.183 6.024 1.00 0.00 H new ATOM 1017 N SER A 67 11.140 6.188 6.889 1.00 0.00 N ATOM 1018 CA SER A 67 10.163 5.110 6.788 1.00 0.00 C ATOM 1019 C SER A 67 9.645 4.714 8.167 1.00 0.00 C ATOM 1020 O SER A 67 10.424 4.517 9.101 1.00 0.00 O ATOM 1021 CB SER A 67 10.782 3.895 6.095 1.00 0.00 C ATOM 1022 OG SER A 67 10.025 2.724 6.346 1.00 0.00 O ATOM 0 H SER A 67 11.608 6.250 7.793 1.00 0.00 H new ATOM 0 HA SER A 67 9.323 5.470 6.194 1.00 0.00 H new ATOM 0 HB2 SER A 67 10.836 4.073 5.021 1.00 0.00 H new ATOM 0 HB3 SER A 67 11.804 3.753 6.447 1.00 0.00 H new ATOM 0 HG SER A 67 10.599 1.936 6.249 1.00 0.00 H new ATOM 1028 N ARG A 68 8.327 4.600 8.288 1.00 0.00 N ATOM 1029 CA ARG A 68 7.704 4.230 9.553 1.00 0.00 C ATOM 1030 C ARG A 68 7.332 2.750 9.563 1.00 0.00 C ATOM 1031 O ARG A 68 6.686 2.255 8.639 1.00 0.00 O ATOM 1032 CB ARG A 68 6.458 5.082 9.801 1.00 0.00 C ATOM 1033 CG ARG A 68 6.752 6.405 10.489 1.00 0.00 C ATOM 1034 CD ARG A 68 6.888 6.232 11.994 1.00 0.00 C ATOM 1035 NE ARG A 68 5.729 5.560 12.575 1.00 0.00 N ATOM 1036 CZ ARG A 68 4.696 6.205 13.106 1.00 0.00 C ATOM 1037 NH1 ARG A 68 4.679 7.531 13.129 1.00 0.00 N ATOM 1038 NH2 ARG A 68 3.678 5.524 13.616 1.00 0.00 N ATOM 0 H ARG A 68 7.669 4.759 7.525 1.00 0.00 H new ATOM 0 HA ARG A 68 8.424 4.412 10.351 1.00 0.00 H new ATOM 0 HB2 ARG A 68 5.967 5.279 8.848 1.00 0.00 H new ATOM 0 HB3 ARG A 68 5.755 4.514 10.410 1.00 0.00 H new ATOM 0 HG2 ARG A 68 7.671 6.830 10.086 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.952 7.114 10.274 1.00 0.00 H new ATOM 0 HD2 ARG A 68 7.788 5.657 12.213 1.00 0.00 H new ATOM 0 HD3 ARG A 68 7.013 7.209 12.461 1.00 0.00 H new ATOM 0 HE ARG A 68 5.712 4.540 12.573 1.00 0.00 H new ATOM 0 HH11 ARG A 68 5.460 8.058 12.738 1.00 0.00 H new ATOM 0 HH12 ARG A 68 3.885 8.024 13.537 1.00 0.00 H new ATOM 0 HH21 ARG A 68 3.688 4.504 13.601 1.00 0.00 H new ATOM 0 HH22 ARG A 68 2.885 6.020 14.023 1.00 0.00 H new ATOM 1052 N VAL A 69 7.746 2.048 10.613 1.00 0.00 N ATOM 1053 CA VAL A 69 7.456 0.625 10.744 1.00 0.00 C ATOM 1054 C VAL A 69 6.455 0.369 11.865 1.00 0.00 C ATOM 1055 O VAL A 69 6.523 0.988 12.927 1.00 0.00 O ATOM 1056 CB VAL A 69 8.736 -0.186 11.018 1.00 0.00 C ATOM 1057 CG1 VAL A 69 8.429 -1.675 11.051 1.00 0.00 C ATOM 1058 CG2 VAL A 69 9.797 0.125 9.973 1.00 0.00 C ATOM 0 H VAL A 69 8.283 2.442 11.385 1.00 0.00 H new ATOM 0 HA VAL A 69 7.026 0.301 9.796 1.00 0.00 H new ATOM 0 HB VAL A 69 9.125 0.101 11.995 1.00 0.00 H new ATOM 0 HG11 VAL A 69 9.346 -2.231 11.246 1.00 0.00 H new ATOM 0 HG12 VAL A 69 7.706 -1.880 11.840 1.00 0.00 H new ATOM 0 HG13 VAL A 69 8.015 -1.983 10.091 1.00 0.00 H new ATOM 0 HG21 VAL A 69 10.695 -0.457 10.182 1.00 0.00 H new ATOM 0 HG22 VAL A 69 9.420 -0.133 8.983 1.00 0.00 H new ATOM 0 HG23 VAL A 69 10.038 1.188 10.004 1.00 0.00 H new ATOM 1068 N LYS A 70 5.525 -0.549 11.623 1.00 0.00 N ATOM 1069 CA LYS A 70 4.510 -0.890 12.612 1.00 0.00 C ATOM 1070 C LYS A 70 3.688 -2.091 12.156 1.00 0.00 C ATOM 1071 O LYS A 70 3.195 -2.126 11.028 1.00 0.00 O ATOM 1072 CB LYS A 70 3.589 0.306 12.862 1.00 0.00 C ATOM 1073 CG LYS A 70 2.930 0.840 11.602 1.00 0.00 C ATOM 1074 CD LYS A 70 1.808 1.811 11.928 1.00 0.00 C ATOM 1075 CE LYS A 70 0.704 1.759 10.883 1.00 0.00 C ATOM 1076 NZ LYS A 70 -0.521 2.475 11.334 1.00 0.00 N ATOM 0 H LYS A 70 5.454 -1.070 10.749 1.00 0.00 H new ATOM 0 HA LYS A 70 5.017 -1.150 13.541 1.00 0.00 H new ATOM 0 HB2 LYS A 70 2.815 0.015 13.572 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.164 1.106 13.328 1.00 0.00 H new ATOM 0 HG2 LYS A 70 3.676 1.339 10.984 1.00 0.00 H new ATOM 0 HG3 LYS A 70 2.535 0.009 11.017 1.00 0.00 H new ATOM 0 HD2 LYS A 70 1.394 1.574 12.908 1.00 0.00 H new ATOM 0 HD3 LYS A 70 2.207 2.824 11.987 1.00 0.00 H new ATOM 0 HE2 LYS A 70 1.062 2.202 9.954 1.00 0.00 H new ATOM 0 HE3 LYS A 70 0.458 0.720 10.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -1.155 2.624 10.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -1.010 1.907 12.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -0.256 3.395 11.740 1.00 0.00 H new ATOM 1090 N SER A 71 3.543 -3.073 13.039 1.00 0.00 N ATOM 1091 CA SER A 71 2.782 -4.277 12.726 1.00 0.00 C ATOM 1092 C SER A 71 1.474 -3.926 12.023 1.00 0.00 C ATOM 1093 O SER A 71 1.038 -2.774 12.037 1.00 0.00 O ATOM 1094 CB SER A 71 2.491 -5.069 14.002 1.00 0.00 C ATOM 1095 OG SER A 71 2.108 -6.400 13.701 1.00 0.00 O ATOM 0 H SER A 71 3.943 -3.059 13.977 1.00 0.00 H new ATOM 0 HA SER A 71 3.382 -4.891 12.055 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.376 -5.077 14.638 1.00 0.00 H new ATOM 0 HB3 SER A 71 1.698 -4.578 14.566 1.00 0.00 H new ATOM 0 HG SER A 71 1.208 -6.569 14.051 1.00 0.00 H new ATOM 1101 N VAL A 72 0.852 -4.927 11.409 1.00 0.00 N ATOM 1102 CA VAL A 72 -0.407 -4.726 10.701 1.00 0.00 C ATOM 1103 C VAL A 72 -1.598 -4.901 11.636 1.00 0.00 C ATOM 1104 O VAL A 72 -2.516 -4.083 11.649 1.00 0.00 O ATOM 1105 CB VAL A 72 -0.548 -5.702 9.519 1.00 0.00 C ATOM 1106 CG1 VAL A 72 -1.562 -5.180 8.512 1.00 0.00 C ATOM 1107 CG2 VAL A 72 0.801 -5.936 8.856 1.00 0.00 C ATOM 0 H VAL A 72 1.199 -5.886 11.387 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.396 -3.705 10.320 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.910 -6.657 9.901 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -1.648 -5.884 7.684 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -2.532 -5.070 8.996 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -1.234 -4.212 8.133 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.682 -6.628 8.023 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.194 -4.989 8.487 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.495 -6.359 9.582 1.00 0.00 H new ATOM 1117 N ASN A 73 -1.574 -5.975 12.420 1.00 0.00 N ATOM 1118 CA ASN A 73 -2.652 -6.258 13.360 1.00 0.00 C ATOM 1119 C ASN A 73 -2.310 -5.739 14.753 1.00 0.00 C ATOM 1120 O ASN A 73 -2.962 -4.829 15.266 1.00 0.00 O ATOM 1121 CB ASN A 73 -2.925 -7.763 13.417 1.00 0.00 C ATOM 1122 CG ASN A 73 -4.374 -8.076 13.735 1.00 0.00 C ATOM 1123 OD1 ASN A 73 -5.243 -7.996 12.866 1.00 0.00 O ATOM 1124 ND2 ASN A 73 -4.641 -8.436 14.985 1.00 0.00 N ATOM 0 H ASN A 73 -0.820 -6.662 12.422 1.00 0.00 H new ATOM 0 HA ASN A 73 -3.548 -5.745 13.011 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -2.660 -8.214 12.461 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -2.284 -8.217 14.172 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -5.598 -8.660 15.258 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -3.889 -8.489 15.672 1.00 0.00 H new ATOM 1131 N LEU A 74 -1.284 -6.324 15.361 1.00 0.00 N ATOM 1132 CA LEU A 74 -0.853 -5.921 16.695 1.00 0.00 C ATOM 1133 C LEU A 74 -0.947 -4.407 16.863 1.00 0.00 C ATOM 1134 O LEU A 74 -1.226 -3.910 17.954 1.00 0.00 O ATOM 1135 CB LEU A 74 0.581 -6.386 16.952 1.00 0.00 C ATOM 1136 CG LEU A 74 0.801 -7.899 16.978 1.00 0.00 C ATOM 1137 CD1 LEU A 74 2.287 -8.223 16.938 1.00 0.00 C ATOM 1138 CD2 LEU A 74 0.153 -8.511 18.211 1.00 0.00 C ATOM 0 H LEU A 74 -0.735 -7.079 14.951 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.516 -6.391 17.422 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.224 -5.959 16.182 1.00 0.00 H new ATOM 0 HB3 LEU A 74 0.910 -5.975 17.906 1.00 0.00 H new ATOM 0 HG LEU A 74 0.332 -8.330 16.094 1.00 0.00 H new ATOM 0 HD11 LEU A 74 2.424 -9.304 16.957 1.00 0.00 H new ATOM 0 HD12 LEU A 74 2.723 -7.818 16.025 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.780 -7.779 17.803 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.320 -9.588 18.213 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.593 -8.074 19.108 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.918 -8.310 18.197 1.00 0.00 H new ATOM 1150 N ASP A 75 -0.713 -3.681 15.775 1.00 0.00 N ATOM 1151 CA ASP A 75 -0.774 -2.224 15.801 1.00 0.00 C ATOM 1152 C ASP A 75 -2.089 -1.725 15.212 1.00 0.00 C ATOM 1153 O ASP A 75 -2.790 -2.464 14.522 1.00 0.00 O ATOM 1154 CB ASP A 75 0.404 -1.629 15.028 1.00 0.00 C ATOM 1155 CG ASP A 75 0.835 -0.282 15.575 1.00 0.00 C ATOM 1156 OD1 ASP A 75 1.239 -0.222 16.755 1.00 0.00 O ATOM 1157 OD2 ASP A 75 0.767 0.712 14.822 1.00 0.00 O ATOM 0 H ASP A 75 -0.479 -4.077 14.865 1.00 0.00 H new ATOM 0 HA ASP A 75 -0.716 -1.901 16.840 1.00 0.00 H new ATOM 0 HB2 ASP A 75 1.246 -2.320 15.067 1.00 0.00 H new ATOM 0 HB3 ASP A 75 0.129 -1.521 13.979 1.00 0.00 H new ATOM 1162 N GLN A 76 -2.417 -0.467 15.490 1.00 0.00 N ATOM 1163 CA GLN A 76 -3.649 0.129 14.989 1.00 0.00 C ATOM 1164 C GLN A 76 -3.431 0.755 13.615 1.00 0.00 C ATOM 1165 O GLN A 76 -2.301 1.064 13.235 1.00 0.00 O ATOM 1166 CB GLN A 76 -4.164 1.186 15.968 1.00 0.00 C ATOM 1167 CG GLN A 76 -3.339 2.462 15.975 1.00 0.00 C ATOM 1168 CD GLN A 76 -3.903 3.516 16.907 1.00 0.00 C ATOM 1169 OE1 GLN A 76 -5.031 3.978 16.731 1.00 0.00 O ATOM 1170 NE2 GLN A 76 -3.120 3.903 17.907 1.00 0.00 N ATOM 0 H GLN A 76 -1.847 0.158 16.059 1.00 0.00 H new ATOM 0 HA GLN A 76 -4.393 -0.662 14.894 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -5.195 1.432 15.715 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -4.174 0.764 16.973 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -2.317 2.228 16.273 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -3.291 2.865 14.963 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -2.192 3.494 18.016 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -3.447 4.609 18.566 1.00 0.00 H new ATOM 1179 N TRP A 77 -4.518 0.939 12.875 1.00 0.00 N ATOM 1180 CA TRP A 77 -4.445 1.528 11.543 1.00 0.00 C ATOM 1181 C TRP A 77 -5.671 2.390 11.261 1.00 0.00 C ATOM 1182 O TRP A 77 -6.760 2.126 11.772 1.00 0.00 O ATOM 1183 CB TRP A 77 -4.324 0.431 10.484 1.00 0.00 C ATOM 1184 CG TRP A 77 -3.003 -0.277 10.511 1.00 0.00 C ATOM 1185 CD1 TRP A 77 -2.506 -1.046 11.523 1.00 0.00 C ATOM 1186 CD2 TRP A 77 -2.010 -0.277 9.479 1.00 0.00 C ATOM 1187 NE1 TRP A 77 -1.264 -1.526 11.183 1.00 0.00 N ATOM 1188 CE2 TRP A 77 -0.938 -1.069 9.934 1.00 0.00 C ATOM 1189 CE3 TRP A 77 -1.924 0.312 8.215 1.00 0.00 C ATOM 1190 CZ2 TRP A 77 0.206 -1.284 9.169 1.00 0.00 C ATOM 1191 CZ3 TRP A 77 -0.788 0.098 7.457 1.00 0.00 C ATOM 1192 CH2 TRP A 77 0.264 -0.695 7.935 1.00 0.00 C ATOM 0 H TRP A 77 -5.460 0.689 13.175 1.00 0.00 H new ATOM 0 HA TRP A 77 -3.560 2.163 11.502 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -5.122 -0.297 10.632 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -4.473 0.870 9.498 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -3.014 -1.248 12.454 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -0.680 -2.125 11.766 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -2.730 0.923 7.837 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 1.018 -1.894 9.536 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -0.710 0.550 6.479 1.00 0.00 H new ATOM 0 HH2 TRP A 77 1.137 -0.844 7.318 1.00 0.00 H new ATOM 1203 N THR A 78 -5.488 3.423 10.444 1.00 0.00 N ATOM 1204 CA THR A 78 -6.578 4.325 10.095 1.00 0.00 C ATOM 1205 C THR A 78 -6.750 4.420 8.584 1.00 0.00 C ATOM 1206 O THR A 78 -5.818 4.155 7.825 1.00 0.00 O ATOM 1207 CB THR A 78 -6.344 5.737 10.664 1.00 0.00 C ATOM 1208 OG1 THR A 78 -5.049 6.211 10.279 1.00 0.00 O ATOM 1209 CG2 THR A 78 -6.458 5.734 12.181 1.00 0.00 C ATOM 0 H THR A 78 -4.594 3.655 10.011 1.00 0.00 H new ATOM 0 HA THR A 78 -7.484 3.910 10.536 1.00 0.00 H new ATOM 0 HB THR A 78 -7.109 6.400 10.259 1.00 0.00 H new ATOM 0 HG1 THR A 78 -4.908 7.110 10.643 1.00 0.00 H new ATOM 0 HG21 THR A 78 -6.289 6.742 12.561 1.00 0.00 H new ATOM 0 HG22 THR A 78 -7.454 5.400 12.470 1.00 0.00 H new ATOM 0 HG23 THR A 78 -5.712 5.059 12.601 1.00 0.00 H new ATOM 1217 N ALA A 79 -7.948 4.802 8.152 1.00 0.00 N ATOM 1218 CA ALA A 79 -8.241 4.936 6.730 1.00 0.00 C ATOM 1219 C ALA A 79 -7.092 5.618 5.995 1.00 0.00 C ATOM 1220 O ALA A 79 -6.632 5.135 4.961 1.00 0.00 O ATOM 1221 CB ALA A 79 -9.534 5.712 6.528 1.00 0.00 C ATOM 0 H ALA A 79 -8.731 5.024 8.767 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.362 3.936 6.313 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -9.740 5.804 5.462 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -10.355 5.183 7.012 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.434 6.705 6.966 1.00 0.00 H new ATOM 1227 N GLU A 80 -6.635 6.743 6.535 1.00 0.00 N ATOM 1228 CA GLU A 80 -5.541 7.492 5.928 1.00 0.00 C ATOM 1229 C GLU A 80 -4.390 6.564 5.551 1.00 0.00 C ATOM 1230 O GLU A 80 -3.866 6.629 4.439 1.00 0.00 O ATOM 1231 CB GLU A 80 -5.043 8.577 6.885 1.00 0.00 C ATOM 1232 CG GLU A 80 -5.998 9.750 7.026 1.00 0.00 C ATOM 1233 CD GLU A 80 -6.368 10.365 5.690 1.00 0.00 C ATOM 1234 OE1 GLU A 80 -5.489 10.437 4.806 1.00 0.00 O ATOM 1235 OE2 GLU A 80 -7.537 10.774 5.529 1.00 0.00 O ATOM 0 H GLU A 80 -7.005 7.156 7.391 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.917 7.963 5.020 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -4.877 8.135 7.867 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -4.079 8.945 6.534 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.904 9.417 7.532 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -5.541 10.511 7.658 1.00 0.00 H new ATOM 1242 N GLN A 81 -4.003 5.701 6.485 1.00 0.00 N ATOM 1243 CA GLN A 81 -2.914 4.760 6.251 1.00 0.00 C ATOM 1244 C GLN A 81 -3.355 3.637 5.318 1.00 0.00 C ATOM 1245 O GLN A 81 -2.610 3.229 4.426 1.00 0.00 O ATOM 1246 CB GLN A 81 -2.423 4.175 7.576 1.00 0.00 C ATOM 1247 CG GLN A 81 -1.921 5.224 8.555 1.00 0.00 C ATOM 1248 CD GLN A 81 -2.000 4.761 9.997 1.00 0.00 C ATOM 1249 OE1 GLN A 81 -2.835 3.928 10.349 1.00 0.00 O ATOM 1250 NE2 GLN A 81 -1.129 5.302 10.841 1.00 0.00 N ATOM 0 H GLN A 81 -4.427 5.634 7.410 1.00 0.00 H new ATOM 0 HA GLN A 81 -2.096 5.302 5.776 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -3.236 3.616 8.040 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -1.621 3.464 7.375 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -0.888 5.476 8.314 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -2.507 6.136 8.437 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -0.454 5.989 10.506 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -1.135 5.030 11.824 1.00 0.00 H new ATOM 1259 N ILE A 82 -4.569 3.142 5.530 1.00 0.00 N ATOM 1260 CA ILE A 82 -5.110 2.066 4.707 1.00 0.00 C ATOM 1261 C ILE A 82 -5.048 2.423 3.226 1.00 0.00 C ATOM 1262 O ILE A 82 -4.412 1.726 2.436 1.00 0.00 O ATOM 1263 CB ILE A 82 -6.567 1.745 5.087 1.00 0.00 C ATOM 1264 CG1 ILE A 82 -6.651 1.302 6.549 1.00 0.00 C ATOM 1265 CG2 ILE A 82 -7.129 0.670 4.169 1.00 0.00 C ATOM 1266 CD1 ILE A 82 -5.680 0.197 6.902 1.00 0.00 C ATOM 0 H ILE A 82 -5.197 3.468 6.264 1.00 0.00 H new ATOM 0 HA ILE A 82 -4.494 1.186 4.892 1.00 0.00 H new ATOM 0 HB ILE A 82 -7.165 2.648 4.966 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -6.461 2.161 7.192 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -7.666 0.964 6.760 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -8.160 0.454 4.450 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -7.100 1.021 3.137 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -6.530 -0.236 4.261 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -5.795 -0.066 7.953 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -5.884 -0.678 6.284 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -4.660 0.538 6.723 1.00 0.00 H new ATOM 1278 N GLN A 83 -5.712 3.514 2.858 1.00 0.00 N ATOM 1279 CA GLN A 83 -5.732 3.964 1.471 1.00 0.00 C ATOM 1280 C GLN A 83 -4.344 3.865 0.847 1.00 0.00 C ATOM 1281 O GLN A 83 -4.183 3.327 -0.249 1.00 0.00 O ATOM 1282 CB GLN A 83 -6.241 5.404 1.388 1.00 0.00 C ATOM 1283 CG GLN A 83 -6.837 5.761 0.036 1.00 0.00 C ATOM 1284 CD GLN A 83 -7.969 4.837 -0.365 1.00 0.00 C ATOM 1285 OE1 GLN A 83 -7.911 4.180 -1.405 1.00 0.00 O ATOM 1286 NE2 GLN A 83 -9.008 4.780 0.460 1.00 0.00 N ATOM 0 H GLN A 83 -6.243 4.102 3.500 1.00 0.00 H new ATOM 0 HA GLN A 83 -6.407 3.315 0.914 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -6.994 5.559 2.160 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -5.418 6.085 1.604 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -7.203 6.787 0.064 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -6.056 5.722 -0.723 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -9.015 5.342 1.311 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -9.799 4.175 0.242 1.00 0.00 H new ATOM 1295 N CYS A 84 -3.346 4.388 1.551 1.00 0.00 N ATOM 1296 CA CYS A 84 -1.971 4.360 1.065 1.00 0.00 C ATOM 1297 C CYS A 84 -1.577 2.953 0.629 1.00 0.00 C ATOM 1298 O CYS A 84 -1.204 2.731 -0.523 1.00 0.00 O ATOM 1299 CB CYS A 84 -1.015 4.857 2.150 1.00 0.00 C ATOM 1300 SG CYS A 84 -1.085 6.641 2.435 1.00 0.00 S ATOM 0 H CYS A 84 -3.463 4.836 2.460 1.00 0.00 H new ATOM 0 HA CYS A 84 -1.904 5.021 0.201 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -1.242 4.342 3.083 1.00 0.00 H new ATOM 0 HB3 CYS A 84 0.004 4.584 1.875 1.00 0.00 H new ATOM 0 HG CYS A 84 -2.099 6.919 3.200 1.00 0.00 H new ATOM 1306 N MET A 85 -1.661 2.006 1.557 1.00 0.00 N ATOM 1307 CA MET A 85 -1.313 0.620 1.268 1.00 0.00 C ATOM 1308 C MET A 85 -1.760 0.228 -0.136 1.00 0.00 C ATOM 1309 O MET A 85 -0.973 -0.296 -0.924 1.00 0.00 O ATOM 1310 CB MET A 85 -1.952 -0.315 2.298 1.00 0.00 C ATOM 1311 CG MET A 85 -1.335 -0.204 3.683 1.00 0.00 C ATOM 1312 SD MET A 85 0.459 -0.379 3.661 1.00 0.00 S ATOM 1313 CE MET A 85 0.629 -2.039 3.010 1.00 0.00 C ATOM 0 H MET A 85 -1.967 2.173 2.516 1.00 0.00 H new ATOM 0 HA MET A 85 -0.229 0.525 1.325 1.00 0.00 H new ATOM 0 HB2 MET A 85 -3.017 -0.095 2.365 1.00 0.00 H new ATOM 0 HB3 MET A 85 -1.860 -1.344 1.949 1.00 0.00 H new ATOM 0 HG2 MET A 85 -1.597 0.761 4.117 1.00 0.00 H new ATOM 0 HG3 MET A 85 -1.763 -0.970 4.329 1.00 0.00 H new ATOM 0 HE1 MET A 85 1.244 -2.633 3.685 1.00 0.00 H new ATOM 0 HE2 MET A 85 -0.356 -2.497 2.919 1.00 0.00 H new ATOM 0 HE3 MET A 85 1.102 -1.998 2.029 1.00 0.00 H new ATOM 1323 N GLN A 86 -3.028 0.486 -0.443 1.00 0.00 N ATOM 1324 CA GLN A 86 -3.578 0.159 -1.753 1.00 0.00 C ATOM 1325 C GLN A 86 -2.988 1.061 -2.832 1.00 0.00 C ATOM 1326 O GLN A 86 -2.515 0.583 -3.863 1.00 0.00 O ATOM 1327 CB GLN A 86 -5.102 0.293 -1.737 1.00 0.00 C ATOM 1328 CG GLN A 86 -5.789 -0.684 -0.796 1.00 0.00 C ATOM 1329 CD GLN A 86 -5.922 -0.141 0.614 1.00 0.00 C ATOM 1330 OE1 GLN A 86 -5.252 -0.784 1.562 1.00 0.00 O flip ATOM 1331 NE2 GLN A 86 -6.620 0.847 0.847 1.00 0.00 N flip ATOM 0 H GLN A 86 -3.693 0.920 0.197 1.00 0.00 H new ATOM 0 HA GLN A 86 -3.313 -0.873 -1.983 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -5.366 1.310 -1.447 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -5.482 0.140 -2.747 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -6.779 -0.922 -1.185 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -5.224 -1.616 -0.771 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -7.118 1.310 0.087 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -6.700 1.202 1.800 1.00 0.00 H new ATOM 1340 N ASP A 87 -3.019 2.366 -2.587 1.00 0.00 N ATOM 1341 CA ASP A 87 -2.487 3.335 -3.537 1.00 0.00 C ATOM 1342 C ASP A 87 -1.102 2.916 -4.022 1.00 0.00 C ATOM 1343 O ASP A 87 -0.890 2.703 -5.216 1.00 0.00 O ATOM 1344 CB ASP A 87 -2.418 4.723 -2.899 1.00 0.00 C ATOM 1345 CG ASP A 87 -3.780 5.383 -2.801 1.00 0.00 C ATOM 1346 OD1 ASP A 87 -4.577 5.244 -3.752 1.00 0.00 O ATOM 1347 OD2 ASP A 87 -4.048 6.037 -1.772 1.00 0.00 O ATOM 0 H ASP A 87 -3.407 2.777 -1.738 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.158 3.371 -4.395 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -1.985 4.640 -1.902 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -1.752 5.356 -3.485 1.00 0.00 H new ATOM 1352 N MET A 88 -0.163 2.801 -3.089 1.00 0.00 N ATOM 1353 CA MET A 88 1.201 2.407 -3.422 1.00 0.00 C ATOM 1354 C MET A 88 1.292 0.902 -3.651 1.00 0.00 C ATOM 1355 O MET A 88 1.416 0.444 -4.786 1.00 0.00 O ATOM 1356 CB MET A 88 2.161 2.824 -2.307 1.00 0.00 C ATOM 1357 CG MET A 88 3.620 2.536 -2.622 1.00 0.00 C ATOM 1358 SD MET A 88 4.444 3.924 -3.425 1.00 0.00 S ATOM 1359 CE MET A 88 5.445 3.067 -4.638 1.00 0.00 C ATOM 0 H MET A 88 -0.321 2.975 -2.097 1.00 0.00 H new ATOM 0 HA MET A 88 1.484 2.914 -4.344 1.00 0.00 H new ATOM 0 HB2 MET A 88 2.043 3.891 -2.117 1.00 0.00 H new ATOM 0 HB3 MET A 88 1.886 2.304 -1.389 1.00 0.00 H new ATOM 0 HG2 MET A 88 4.145 2.291 -1.699 1.00 0.00 H new ATOM 0 HG3 MET A 88 3.682 1.659 -3.267 1.00 0.00 H new ATOM 0 HE1 MET A 88 5.553 3.690 -5.526 1.00 0.00 H new ATOM 0 HE2 MET A 88 6.429 2.861 -4.217 1.00 0.00 H new ATOM 0 HE3 MET A 88 4.963 2.128 -4.910 1.00 0.00 H new ATOM 1369 N GLY A 89 1.229 0.138 -2.565 1.00 0.00 N ATOM 1370 CA GLY A 89 1.307 -1.308 -2.670 1.00 0.00 C ATOM 1371 C GLY A 89 2.661 -1.782 -3.157 1.00 0.00 C ATOM 1372 O GLY A 89 3.500 -0.977 -3.561 1.00 0.00 O ATOM 0 H GLY A 89 1.125 0.494 -1.615 1.00 0.00 H new ATOM 0 HA2 GLY A 89 1.099 -1.752 -1.696 1.00 0.00 H new ATOM 0 HA3 GLY A 89 0.535 -1.662 -3.353 1.00 0.00 H new ATOM 1376 N ASN A 90 2.876 -3.093 -3.119 1.00 0.00 N ATOM 1377 CA ASN A 90 4.140 -3.673 -3.559 1.00 0.00 C ATOM 1378 C ASN A 90 4.304 -3.539 -5.070 1.00 0.00 C ATOM 1379 O ASN A 90 5.405 -3.304 -5.568 1.00 0.00 O ATOM 1380 CB ASN A 90 4.217 -5.147 -3.155 1.00 0.00 C ATOM 1381 CG ASN A 90 4.209 -5.335 -1.650 1.00 0.00 C ATOM 1382 OD1 ASN A 90 3.568 -4.577 -0.922 1.00 0.00 O ATOM 1383 ND2 ASN A 90 4.924 -6.349 -1.177 1.00 0.00 N ATOM 0 H ASN A 90 2.192 -3.773 -2.788 1.00 0.00 H new ATOM 0 HA ASN A 90 4.949 -3.127 -3.074 1.00 0.00 H new ATOM 0 HB2 ASN A 90 3.375 -5.685 -3.590 1.00 0.00 H new ATOM 0 HB3 ASN A 90 5.124 -5.587 -3.569 1.00 0.00 H new ATOM 0 HD21 ASN A 90 4.957 -6.525 -0.173 1.00 0.00 H new ATOM 0 HD22 ASN A 90 5.440 -6.952 -1.818 1.00 0.00 H new ATOM 1390 N THR A 91 3.200 -3.691 -5.795 1.00 0.00 N ATOM 1391 CA THR A 91 3.220 -3.588 -7.249 1.00 0.00 C ATOM 1392 C THR A 91 4.028 -2.377 -7.703 1.00 0.00 C ATOM 1393 O THR A 91 5.104 -2.518 -8.284 1.00 0.00 O ATOM 1394 CB THR A 91 1.795 -3.485 -7.824 1.00 0.00 C ATOM 1395 OG1 THR A 91 0.990 -4.563 -7.334 1.00 0.00 O ATOM 1396 CG2 THR A 91 1.822 -3.516 -9.345 1.00 0.00 C ATOM 0 H THR A 91 2.281 -3.886 -5.399 1.00 0.00 H new ATOM 0 HA THR A 91 3.690 -4.497 -7.624 1.00 0.00 H new ATOM 0 HB THR A 91 1.365 -2.536 -7.503 1.00 0.00 H new ATOM 0 HG1 THR A 91 0.085 -4.489 -7.703 1.00 0.00 H new ATOM 0 HG21 THR A 91 0.804 -3.442 -9.729 1.00 0.00 H new ATOM 0 HG22 THR A 91 2.411 -2.677 -9.716 1.00 0.00 H new ATOM 0 HG23 THR A 91 2.270 -4.451 -9.682 1.00 0.00 H new ATOM 1404 N LYS A 92 3.503 -1.187 -7.434 1.00 0.00 N ATOM 1405 CA LYS A 92 4.175 0.050 -7.813 1.00 0.00 C ATOM 1406 C LYS A 92 5.554 0.140 -7.165 1.00 0.00 C ATOM 1407 O LYS A 92 6.533 0.501 -7.817 1.00 0.00 O ATOM 1408 CB LYS A 92 3.330 1.259 -7.407 1.00 0.00 C ATOM 1409 CG LYS A 92 2.142 1.505 -8.321 1.00 0.00 C ATOM 1410 CD LYS A 92 1.562 2.895 -8.121 1.00 0.00 C ATOM 1411 CE LYS A 92 2.330 3.938 -8.919 1.00 0.00 C ATOM 1412 NZ LYS A 92 1.830 4.046 -10.317 1.00 0.00 N ATOM 0 H LYS A 92 2.613 -1.053 -6.954 1.00 0.00 H new ATOM 0 HA LYS A 92 4.300 0.049 -8.896 1.00 0.00 H new ATOM 0 HB2 LYS A 92 2.970 1.115 -6.388 1.00 0.00 H new ATOM 0 HB3 LYS A 92 3.962 2.147 -7.399 1.00 0.00 H new ATOM 0 HG2 LYS A 92 2.450 1.384 -9.360 1.00 0.00 H new ATOM 0 HG3 LYS A 92 1.372 0.758 -8.128 1.00 0.00 H new ATOM 0 HD2 LYS A 92 0.515 2.901 -8.425 1.00 0.00 H new ATOM 0 HD3 LYS A 92 1.588 3.153 -7.062 1.00 0.00 H new ATOM 0 HE2 LYS A 92 2.245 4.907 -8.427 1.00 0.00 H new ATOM 0 HE3 LYS A 92 3.389 3.679 -8.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 2.379 4.767 -10.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 1.935 3.128 -10.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 0.826 4.318 -10.307 1.00 0.00 H new ATOM 1426 N ALA A 93 5.622 -0.192 -5.880 1.00 0.00 N ATOM 1427 CA ALA A 93 6.881 -0.152 -5.147 1.00 0.00 C ATOM 1428 C ALA A 93 8.013 -0.761 -5.966 1.00 0.00 C ATOM 1429 O ALA A 93 9.129 -0.242 -5.983 1.00 0.00 O ATOM 1430 CB ALA A 93 6.740 -0.878 -3.817 1.00 0.00 C ATOM 0 H ALA A 93 4.820 -0.492 -5.325 1.00 0.00 H new ATOM 0 HA ALA A 93 7.128 0.892 -4.955 1.00 0.00 H new ATOM 0 HB1 ALA A 93 7.688 -0.841 -3.280 1.00 0.00 H new ATOM 0 HB2 ALA A 93 5.965 -0.397 -3.220 1.00 0.00 H new ATOM 0 HB3 ALA A 93 6.466 -1.917 -3.997 1.00 0.00 H new ATOM 1436 N ARG A 94 7.719 -1.866 -6.644 1.00 0.00 N ATOM 1437 CA ARG A 94 8.714 -2.547 -7.464 1.00 0.00 C ATOM 1438 C ARG A 94 8.971 -1.779 -8.757 1.00 0.00 C ATOM 1439 O ARG A 94 10.107 -1.691 -9.224 1.00 0.00 O ATOM 1440 CB ARG A 94 8.253 -3.969 -7.787 1.00 0.00 C ATOM 1441 CG ARG A 94 8.063 -4.842 -6.557 1.00 0.00 C ATOM 1442 CD ARG A 94 7.145 -6.020 -6.845 1.00 0.00 C ATOM 1443 NE ARG A 94 7.885 -7.187 -7.316 1.00 0.00 N ATOM 1444 CZ ARG A 94 8.580 -7.988 -6.516 1.00 0.00 C ATOM 1445 NH1 ARG A 94 8.630 -7.749 -5.213 1.00 0.00 N ATOM 1446 NH2 ARG A 94 9.227 -9.031 -7.019 1.00 0.00 N ATOM 0 H ARG A 94 6.800 -2.309 -6.642 1.00 0.00 H new ATOM 0 HA ARG A 94 9.644 -2.593 -6.898 1.00 0.00 H new ATOM 0 HB2 ARG A 94 7.313 -3.921 -8.337 1.00 0.00 H new ATOM 0 HB3 ARG A 94 8.984 -4.438 -8.446 1.00 0.00 H new ATOM 0 HG2 ARG A 94 9.031 -5.209 -6.217 1.00 0.00 H new ATOM 0 HG3 ARG A 94 7.646 -4.244 -5.746 1.00 0.00 H new ATOM 0 HD2 ARG A 94 6.595 -6.280 -5.941 1.00 0.00 H new ATOM 0 HD3 ARG A 94 6.408 -5.731 -7.595 1.00 0.00 H new ATOM 0 HE ARG A 94 7.867 -7.399 -8.314 1.00 0.00 H new ATOM 0 HH11 ARG A 94 8.134 -6.948 -4.822 1.00 0.00 H new ATOM 0 HH12 ARG A 94 9.165 -8.366 -4.601 1.00 0.00 H new ATOM 0 HH21 ARG A 94 9.191 -9.219 -8.021 1.00 0.00 H new ATOM 0 HH22 ARG A 94 9.760 -9.645 -6.404 1.00 0.00 H new ATOM 1460 N LEU A 95 7.909 -1.224 -9.331 1.00 0.00 N ATOM 1461 CA LEU A 95 8.018 -0.463 -10.570 1.00 0.00 C ATOM 1462 C LEU A 95 8.602 0.921 -10.309 1.00 0.00 C ATOM 1463 O LEU A 95 8.822 1.699 -11.239 1.00 0.00 O ATOM 1464 CB LEU A 95 6.647 -0.334 -11.235 1.00 0.00 C ATOM 1465 CG LEU A 95 5.846 -1.629 -11.380 1.00 0.00 C ATOM 1466 CD1 LEU A 95 4.423 -1.330 -11.826 1.00 0.00 C ATOM 1467 CD2 LEU A 95 6.528 -2.571 -12.361 1.00 0.00 C ATOM 0 H LEU A 95 6.962 -1.287 -8.957 1.00 0.00 H new ATOM 0 HA LEU A 95 8.690 -1.000 -11.239 1.00 0.00 H new ATOM 0 HB2 LEU A 95 6.052 0.375 -10.660 1.00 0.00 H new ATOM 0 HB3 LEU A 95 6.786 0.097 -12.227 1.00 0.00 H new ATOM 0 HG LEU A 95 5.804 -2.118 -10.407 1.00 0.00 H new ATOM 0 HD11 LEU A 95 3.869 -2.263 -11.924 1.00 0.00 H new ATOM 0 HD12 LEU A 95 3.936 -0.694 -11.087 1.00 0.00 H new ATOM 0 HD13 LEU A 95 4.443 -0.818 -12.788 1.00 0.00 H new ATOM 0 HD21 LEU A 95 5.944 -3.487 -12.452 1.00 0.00 H new ATOM 0 HD22 LEU A 95 6.602 -2.090 -13.336 1.00 0.00 H new ATOM 0 HD23 LEU A 95 7.527 -2.812 -11.999 1.00 0.00 H new ATOM 1479 N LEU A 96 8.853 1.222 -9.040 1.00 0.00 N ATOM 1480 CA LEU A 96 9.414 2.513 -8.656 1.00 0.00 C ATOM 1481 C LEU A 96 10.813 2.346 -8.072 1.00 0.00 C ATOM 1482 O LEU A 96 11.803 2.758 -8.677 1.00 0.00 O ATOM 1483 CB LEU A 96 8.504 3.205 -7.640 1.00 0.00 C ATOM 1484 CG LEU A 96 8.639 4.725 -7.544 1.00 0.00 C ATOM 1485 CD1 LEU A 96 9.995 5.105 -6.970 1.00 0.00 C ATOM 1486 CD2 LEU A 96 8.437 5.366 -8.910 1.00 0.00 C ATOM 0 H LEU A 96 8.677 0.590 -8.259 1.00 0.00 H new ATOM 0 HA LEU A 96 9.485 3.131 -9.551 1.00 0.00 H new ATOM 0 HB2 LEU A 96 7.470 2.967 -7.888 1.00 0.00 H new ATOM 0 HB3 LEU A 96 8.702 2.780 -6.656 1.00 0.00 H new ATOM 0 HG LEU A 96 7.866 5.098 -6.872 1.00 0.00 H new ATOM 0 HD11 LEU A 96 10.073 6.190 -6.909 1.00 0.00 H new ATOM 0 HD12 LEU A 96 10.101 4.677 -5.973 1.00 0.00 H new ATOM 0 HD13 LEU A 96 10.784 4.720 -7.616 1.00 0.00 H new ATOM 0 HD21 LEU A 96 8.537 6.448 -8.823 1.00 0.00 H new ATOM 0 HD22 LEU A 96 9.187 4.987 -9.604 1.00 0.00 H new ATOM 0 HD23 LEU A 96 7.442 5.122 -9.283 1.00 0.00 H new ATOM 1498 N TYR A 97 10.888 1.738 -6.893 1.00 0.00 N ATOM 1499 CA TYR A 97 12.165 1.517 -6.227 1.00 0.00 C ATOM 1500 C TYR A 97 13.001 0.487 -6.980 1.00 0.00 C ATOM 1501 O TYR A 97 14.153 0.742 -7.329 1.00 0.00 O ATOM 1502 CB TYR A 97 11.940 1.053 -4.787 1.00 0.00 C ATOM 1503 CG TYR A 97 11.321 2.110 -3.900 1.00 0.00 C ATOM 1504 CD1 TYR A 97 9.942 2.275 -3.841 1.00 0.00 C ATOM 1505 CD2 TYR A 97 12.114 2.945 -3.122 1.00 0.00 C ATOM 1506 CE1 TYR A 97 9.372 3.240 -3.034 1.00 0.00 C ATOM 1507 CE2 TYR A 97 11.553 3.911 -2.310 1.00 0.00 C ATOM 1508 CZ TYR A 97 10.181 4.055 -2.270 1.00 0.00 C ATOM 1509 OH TYR A 97 9.618 5.018 -1.463 1.00 0.00 O ATOM 0 H TYR A 97 10.079 1.390 -6.379 1.00 0.00 H new ATOM 0 HA TYR A 97 12.708 2.462 -6.216 1.00 0.00 H new ATOM 0 HB2 TYR A 97 11.296 0.174 -4.794 1.00 0.00 H new ATOM 0 HB3 TYR A 97 12.895 0.746 -4.360 1.00 0.00 H new ATOM 0 HD1 TYR A 97 9.305 1.638 -4.437 1.00 0.00 H new ATOM 0 HD2 TYR A 97 13.188 2.837 -3.153 1.00 0.00 H new ATOM 0 HE1 TYR A 97 8.299 3.356 -3.001 1.00 0.00 H new ATOM 0 HE2 TYR A 97 12.184 4.550 -1.710 1.00 0.00 H new ATOM 0 HH TYR A 97 10.326 5.505 -0.992 1.00 0.00 H new ATOM 1519 N GLU A 98 12.411 -0.678 -7.227 1.00 0.00 N ATOM 1520 CA GLU A 98 13.101 -1.748 -7.938 1.00 0.00 C ATOM 1521 C GLU A 98 12.911 -1.610 -9.446 1.00 0.00 C ATOM 1522 O GLU A 98 12.761 -2.603 -10.157 1.00 0.00 O ATOM 1523 CB GLU A 98 12.590 -3.113 -7.472 1.00 0.00 C ATOM 1524 CG GLU A 98 13.157 -3.550 -6.131 1.00 0.00 C ATOM 1525 CD GLU A 98 12.815 -4.988 -5.794 1.00 0.00 C ATOM 1526 OE1 GLU A 98 12.820 -5.831 -6.715 1.00 0.00 O ATOM 1527 OE2 GLU A 98 12.543 -5.270 -4.608 1.00 0.00 O ATOM 0 H GLU A 98 11.457 -0.905 -6.945 1.00 0.00 H new ATOM 0 HA GLU A 98 14.165 -1.670 -7.714 1.00 0.00 H new ATOM 0 HB2 GLU A 98 11.503 -3.081 -7.404 1.00 0.00 H new ATOM 0 HB3 GLU A 98 12.840 -3.861 -8.224 1.00 0.00 H new ATOM 0 HG2 GLU A 98 14.240 -3.431 -6.143 1.00 0.00 H new ATOM 0 HG3 GLU A 98 12.773 -2.896 -5.348 1.00 0.00 H new ATOM 1534 N ALA A 99 12.917 -0.370 -9.926 1.00 0.00 N ATOM 1535 CA ALA A 99 12.747 -0.101 -11.348 1.00 0.00 C ATOM 1536 C ALA A 99 14.092 0.135 -12.027 1.00 0.00 C ATOM 1537 O ALA A 99 14.294 -0.254 -13.176 1.00 0.00 O ATOM 1538 CB ALA A 99 11.833 1.098 -11.553 1.00 0.00 C ATOM 0 H ALA A 99 13.038 0.463 -9.350 1.00 0.00 H new ATOM 0 HA ALA A 99 12.287 -0.977 -11.805 1.00 0.00 H new ATOM 0 HB1 ALA A 99 11.715 1.287 -12.620 1.00 0.00 H new ATOM 0 HB2 ALA A 99 10.858 0.892 -11.111 1.00 0.00 H new ATOM 0 HB3 ALA A 99 12.270 1.975 -11.075 1.00 0.00 H new ATOM 1544 N ASN A 100 15.009 0.774 -11.308 1.00 0.00 N ATOM 1545 CA ASN A 100 16.335 1.063 -11.842 1.00 0.00 C ATOM 1546 C ASN A 100 17.315 -0.053 -11.495 1.00 0.00 C ATOM 1547 O ASN A 100 18.532 0.136 -11.544 1.00 0.00 O ATOM 1548 CB ASN A 100 16.848 2.396 -11.295 1.00 0.00 C ATOM 1549 CG ASN A 100 16.285 3.586 -12.048 1.00 0.00 C ATOM 1550 OD1 ASN A 100 16.543 3.760 -13.239 1.00 0.00 O ATOM 1551 ND2 ASN A 100 15.510 4.412 -11.354 1.00 0.00 N ATOM 0 H ASN A 100 14.858 1.102 -10.354 1.00 0.00 H new ATOM 0 HA ASN A 100 16.257 1.130 -12.927 1.00 0.00 H new ATOM 0 HB2 ASN A 100 16.584 2.479 -10.241 1.00 0.00 H new ATOM 0 HB3 ASN A 100 17.936 2.415 -11.353 1.00 0.00 H new ATOM 0 HD21 ASN A 100 15.102 5.230 -11.807 1.00 0.00 H new ATOM 0 HD22 ASN A 100 15.323 4.228 -10.368 1.00 0.00 H new ATOM 1558 N LEU A 101 16.779 -1.217 -11.146 1.00 0.00 N ATOM 1559 CA LEU A 101 17.606 -2.366 -10.792 1.00 0.00 C ATOM 1560 C LEU A 101 18.524 -2.752 -11.948 1.00 0.00 C ATOM 1561 O LEU A 101 18.180 -2.610 -13.121 1.00 0.00 O ATOM 1562 CB LEU A 101 16.725 -3.555 -10.407 1.00 0.00 C ATOM 1563 CG LEU A 101 16.088 -3.496 -9.018 1.00 0.00 C ATOM 1564 CD1 LEU A 101 15.050 -4.596 -8.859 1.00 0.00 C ATOM 1565 CD2 LEU A 101 17.154 -3.606 -7.937 1.00 0.00 C ATOM 0 H LEU A 101 15.775 -1.391 -11.100 1.00 0.00 H new ATOM 0 HA LEU A 101 18.224 -2.088 -9.938 1.00 0.00 H new ATOM 0 HB2 LEU A 101 15.929 -3.646 -11.146 1.00 0.00 H new ATOM 0 HB3 LEU A 101 17.325 -4.462 -10.471 1.00 0.00 H new ATOM 0 HG LEU A 101 15.587 -2.534 -8.910 1.00 0.00 H new ATOM 0 HD11 LEU A 101 14.608 -4.538 -7.864 1.00 0.00 H new ATOM 0 HD12 LEU A 101 14.270 -4.472 -9.611 1.00 0.00 H new ATOM 0 HD13 LEU A 101 15.527 -5.568 -8.988 1.00 0.00 H new ATOM 0 HD21 LEU A 101 16.682 -3.562 -6.955 1.00 0.00 H new ATOM 0 HD22 LEU A 101 17.684 -4.553 -8.043 1.00 0.00 H new ATOM 0 HD23 LEU A 101 17.860 -2.782 -8.037 1.00 0.00 H new ATOM 1577 N PRO A 102 19.721 -3.255 -11.610 1.00 0.00 N ATOM 1578 CA PRO A 102 20.712 -3.675 -12.605 1.00 0.00 C ATOM 1579 C PRO A 102 20.285 -4.934 -13.353 1.00 0.00 C ATOM 1580 O PRO A 102 19.671 -5.831 -12.777 1.00 0.00 O ATOM 1581 CB PRO A 102 21.962 -3.951 -11.766 1.00 0.00 C ATOM 1582 CG PRO A 102 21.443 -4.278 -10.408 1.00 0.00 C ATOM 1583 CD PRO A 102 20.198 -3.453 -10.231 1.00 0.00 C ATOM 0 HA PRO A 102 20.858 -2.920 -13.378 1.00 0.00 H new ATOM 0 HB2 PRO A 102 22.541 -4.778 -12.178 1.00 0.00 H new ATOM 0 HB3 PRO A 102 22.621 -3.083 -11.740 1.00 0.00 H new ATOM 0 HG2 PRO A 102 21.222 -5.342 -10.320 1.00 0.00 H new ATOM 0 HG3 PRO A 102 22.180 -4.041 -9.641 1.00 0.00 H new ATOM 0 HD2 PRO A 102 19.458 -3.969 -9.620 1.00 0.00 H new ATOM 0 HD3 PRO A 102 20.411 -2.504 -9.739 1.00 0.00 H new ATOM 1591 N GLU A 103 20.615 -4.992 -14.640 1.00 0.00 N ATOM 1592 CA GLU A 103 20.264 -6.141 -15.466 1.00 0.00 C ATOM 1593 C GLU A 103 20.668 -7.445 -14.784 1.00 0.00 C ATOM 1594 O GLU A 103 20.023 -8.477 -14.963 1.00 0.00 O ATOM 1595 CB GLU A 103 20.939 -6.039 -16.835 1.00 0.00 C ATOM 1596 CG GLU A 103 22.434 -5.779 -16.758 1.00 0.00 C ATOM 1597 CD GLU A 103 23.096 -5.771 -18.122 1.00 0.00 C ATOM 1598 OE1 GLU A 103 22.721 -4.921 -18.958 1.00 0.00 O ATOM 1599 OE2 GLU A 103 23.988 -6.613 -18.355 1.00 0.00 O ATOM 0 H GLU A 103 21.124 -4.258 -15.132 1.00 0.00 H new ATOM 0 HA GLU A 103 19.182 -6.141 -15.601 1.00 0.00 H new ATOM 0 HB2 GLU A 103 20.767 -6.964 -17.385 1.00 0.00 H new ATOM 0 HB3 GLU A 103 20.468 -5.238 -17.404 1.00 0.00 H new ATOM 0 HG2 GLU A 103 22.608 -4.821 -16.269 1.00 0.00 H new ATOM 0 HG3 GLU A 103 22.900 -6.543 -16.136 1.00 0.00 H new ATOM 1606 N ASN A 104 21.741 -7.389 -14.002 1.00 0.00 N ATOM 1607 CA ASN A 104 22.233 -8.566 -13.294 1.00 0.00 C ATOM 1608 C ASN A 104 22.034 -8.417 -11.788 1.00 0.00 C ATOM 1609 O ASN A 104 22.926 -8.729 -10.999 1.00 0.00 O ATOM 1610 CB ASN A 104 23.714 -8.791 -13.604 1.00 0.00 C ATOM 1611 CG ASN A 104 24.623 -7.952 -12.726 1.00 0.00 C ATOM 1612 OD1 ASN A 104 25.325 -8.475 -11.861 1.00 0.00 O ATOM 1613 ND2 ASN A 104 24.613 -6.642 -12.947 1.00 0.00 N ATOM 0 H ASN A 104 22.286 -6.542 -13.842 1.00 0.00 H new ATOM 0 HA ASN A 104 21.662 -9.430 -13.635 1.00 0.00 H new ATOM 0 HB2 ASN A 104 23.955 -9.845 -13.468 1.00 0.00 H new ATOM 0 HB3 ASN A 104 23.904 -8.553 -14.651 1.00 0.00 H new ATOM 0 HD21 ASN A 104 25.204 -6.026 -12.388 1.00 0.00 H new ATOM 0 HD22 ASN A 104 24.015 -6.252 -13.675 1.00 0.00 H new ATOM 1620 N PHE A 105 20.858 -7.938 -11.397 1.00 0.00 N ATOM 1621 CA PHE A 105 20.541 -7.747 -9.986 1.00 0.00 C ATOM 1622 C PHE A 105 20.492 -9.085 -9.254 1.00 0.00 C ATOM 1623 O PHE A 105 20.162 -10.115 -9.843 1.00 0.00 O ATOM 1624 CB PHE A 105 19.203 -7.021 -9.836 1.00 0.00 C ATOM 1625 CG PHE A 105 18.542 -7.251 -8.507 1.00 0.00 C ATOM 1626 CD1 PHE A 105 18.824 -6.430 -7.427 1.00 0.00 C ATOM 1627 CD2 PHE A 105 17.639 -8.288 -8.337 1.00 0.00 C ATOM 1628 CE1 PHE A 105 18.217 -6.638 -6.202 1.00 0.00 C ATOM 1629 CE2 PHE A 105 17.030 -8.501 -7.115 1.00 0.00 C ATOM 1630 CZ PHE A 105 17.320 -7.676 -6.046 1.00 0.00 C ATOM 0 H PHE A 105 20.109 -7.675 -12.037 1.00 0.00 H new ATOM 0 HA PHE A 105 21.328 -7.138 -9.541 1.00 0.00 H new ATOM 0 HB2 PHE A 105 19.362 -5.951 -9.974 1.00 0.00 H new ATOM 0 HB3 PHE A 105 18.530 -7.348 -10.629 1.00 0.00 H new ATOM 0 HD1 PHE A 105 19.526 -5.618 -7.543 1.00 0.00 H new ATOM 0 HD2 PHE A 105 17.409 -8.937 -9.169 1.00 0.00 H new ATOM 0 HE1 PHE A 105 18.444 -5.990 -5.369 1.00 0.00 H new ATOM 0 HE2 PHE A 105 16.327 -9.312 -6.996 1.00 0.00 H new ATOM 0 HZ PHE A 105 16.846 -7.842 -5.090 1.00 0.00 H new ATOM 1640 N ARG A 106 20.823 -9.061 -7.967 1.00 0.00 N ATOM 1641 CA ARG A 106 20.818 -10.271 -7.154 1.00 0.00 C ATOM 1642 C ARG A 106 20.217 -10.000 -5.779 1.00 0.00 C ATOM 1643 O ARG A 106 20.771 -9.237 -4.988 1.00 0.00 O ATOM 1644 CB ARG A 106 22.240 -10.815 -7.003 1.00 0.00 C ATOM 1645 CG ARG A 106 22.295 -12.240 -6.477 1.00 0.00 C ATOM 1646 CD ARG A 106 23.701 -12.813 -6.566 1.00 0.00 C ATOM 1647 NE ARG A 106 24.127 -13.005 -7.950 1.00 0.00 N ATOM 1648 CZ ARG A 106 24.744 -12.070 -8.665 1.00 0.00 C ATOM 1649 NH1 ARG A 106 25.005 -10.886 -8.129 1.00 0.00 N ATOM 1650 NH2 ARG A 106 25.101 -12.320 -9.918 1.00 0.00 N ATOM 0 H ARG A 106 21.098 -8.217 -7.465 1.00 0.00 H new ATOM 0 HA ARG A 106 20.203 -11.016 -7.659 1.00 0.00 H new ATOM 0 HB2 ARG A 106 22.740 -10.775 -7.971 1.00 0.00 H new ATOM 0 HB3 ARG A 106 22.798 -10.166 -6.328 1.00 0.00 H new ATOM 0 HG2 ARG A 106 21.958 -12.260 -5.441 1.00 0.00 H new ATOM 0 HG3 ARG A 106 21.609 -12.866 -7.047 1.00 0.00 H new ATOM 0 HD2 ARG A 106 24.398 -12.144 -6.062 1.00 0.00 H new ATOM 0 HD3 ARG A 106 23.738 -13.767 -6.040 1.00 0.00 H new ATOM 0 HE ARG A 106 23.941 -13.905 -8.392 1.00 0.00 H new ATOM 0 HH11 ARG A 106 24.732 -10.691 -7.166 1.00 0.00 H new ATOM 0 HH12 ARG A 106 25.479 -10.170 -8.680 1.00 0.00 H new ATOM 0 HH21 ARG A 106 24.902 -13.230 -10.333 1.00 0.00 H new ATOM 0 HH22 ARG A 106 25.575 -11.602 -10.466 1.00 0.00 H new ATOM 1664 N ARG A 107 19.080 -10.630 -5.501 1.00 0.00 N ATOM 1665 CA ARG A 107 18.403 -10.455 -4.222 1.00 0.00 C ATOM 1666 C ARG A 107 19.206 -11.089 -3.090 1.00 0.00 C ATOM 1667 O ARG A 107 19.442 -12.297 -3.063 1.00 0.00 O ATOM 1668 CB ARG A 107 17.003 -11.070 -4.274 1.00 0.00 C ATOM 1669 CG ARG A 107 16.026 -10.444 -3.293 1.00 0.00 C ATOM 1670 CD ARG A 107 14.677 -11.147 -3.323 1.00 0.00 C ATOM 1671 NE ARG A 107 13.785 -10.576 -4.328 1.00 0.00 N ATOM 1672 CZ ARG A 107 13.787 -10.940 -5.605 1.00 0.00 C ATOM 1673 NH1 ARG A 107 14.630 -11.871 -6.031 1.00 0.00 N ATOM 1674 NH2 ARG A 107 12.944 -10.374 -6.460 1.00 0.00 N ATOM 0 H ARG A 107 18.609 -11.266 -6.144 1.00 0.00 H new ATOM 0 HA ARG A 107 18.317 -9.386 -4.029 1.00 0.00 H new ATOM 0 HB2 ARG A 107 16.607 -10.966 -5.284 1.00 0.00 H new ATOM 0 HB3 ARG A 107 17.077 -12.138 -4.069 1.00 0.00 H new ATOM 0 HG2 ARG A 107 16.440 -10.492 -2.286 1.00 0.00 H new ATOM 0 HG3 ARG A 107 15.893 -9.389 -3.534 1.00 0.00 H new ATOM 0 HD2 ARG A 107 14.825 -12.207 -3.530 1.00 0.00 H new ATOM 0 HD3 ARG A 107 14.209 -11.076 -2.341 1.00 0.00 H new ATOM 0 HE ARG A 107 13.124 -9.858 -4.033 1.00 0.00 H new ATOM 0 HH11 ARG A 107 15.279 -12.309 -5.377 1.00 0.00 H new ATOM 0 HH12 ARG A 107 14.630 -12.149 -7.012 1.00 0.00 H new ATOM 0 HH21 ARG A 107 12.293 -9.658 -6.136 1.00 0.00 H new ATOM 0 HH22 ARG A 107 12.947 -10.655 -7.441 1.00 0.00 H new ATOM 1688 N PRO A 108 19.638 -10.255 -2.132 1.00 0.00 N ATOM 1689 CA PRO A 108 20.422 -10.711 -0.980 1.00 0.00 C ATOM 1690 C PRO A 108 19.595 -11.552 -0.013 1.00 0.00 C ATOM 1691 O PRO A 108 18.419 -11.272 0.217 1.00 0.00 O ATOM 1692 CB PRO A 108 20.863 -9.407 -0.312 1.00 0.00 C ATOM 1693 CG PRO A 108 19.835 -8.407 -0.717 1.00 0.00 C ATOM 1694 CD PRO A 108 19.394 -8.803 -2.099 1.00 0.00 C ATOM 0 HA PRO A 108 21.250 -11.353 -1.279 1.00 0.00 H new ATOM 0 HB2 PRO A 108 20.907 -9.513 0.772 1.00 0.00 H new ATOM 0 HB3 PRO A 108 21.858 -9.109 -0.644 1.00 0.00 H new ATOM 0 HG2 PRO A 108 18.994 -8.409 -0.023 1.00 0.00 H new ATOM 0 HG3 PRO A 108 20.249 -7.399 -0.713 1.00 0.00 H new ATOM 0 HD2 PRO A 108 18.343 -8.568 -2.268 1.00 0.00 H new ATOM 0 HD3 PRO A 108 19.965 -8.282 -2.868 1.00 0.00 H new ATOM 1702 N GLN A 109 20.218 -12.582 0.550 1.00 0.00 N ATOM 1703 CA GLN A 109 19.539 -13.463 1.493 1.00 0.00 C ATOM 1704 C GLN A 109 19.975 -13.168 2.925 1.00 0.00 C ATOM 1705 O GLN A 109 19.176 -13.251 3.858 1.00 0.00 O ATOM 1706 CB GLN A 109 19.823 -14.926 1.151 1.00 0.00 C ATOM 1707 CG GLN A 109 18.705 -15.873 1.556 1.00 0.00 C ATOM 1708 CD GLN A 109 17.666 -16.050 0.466 1.00 0.00 C ATOM 1709 OE1 GLN A 109 17.729 -16.994 -0.321 1.00 0.00 O ATOM 1710 NE2 GLN A 109 16.702 -15.138 0.415 1.00 0.00 N ATOM 0 H GLN A 109 21.192 -12.827 0.370 1.00 0.00 H new ATOM 0 HA GLN A 109 18.467 -13.281 1.415 1.00 0.00 H new ATOM 0 HB2 GLN A 109 19.991 -15.014 0.078 1.00 0.00 H new ATOM 0 HB3 GLN A 109 20.745 -15.234 1.644 1.00 0.00 H new ATOM 0 HG2 GLN A 109 19.130 -16.844 1.808 1.00 0.00 H new ATOM 0 HG3 GLN A 109 18.221 -15.494 2.456 1.00 0.00 H new ATOM 0 HE21 GLN A 109 16.689 -14.372 1.088 1.00 0.00 H new ATOM 0 HE22 GLN A 109 15.975 -15.204 -0.297 1.00 0.00 H new ATOM 1719 N THR A 110 21.248 -12.825 3.091 1.00 0.00 N ATOM 1720 CA THR A 110 21.791 -12.520 4.409 1.00 0.00 C ATOM 1721 C THR A 110 21.613 -11.045 4.749 1.00 0.00 C ATOM 1722 O THR A 110 21.668 -10.184 3.871 1.00 0.00 O ATOM 1723 CB THR A 110 23.287 -12.878 4.497 1.00 0.00 C ATOM 1724 OG1 THR A 110 24.031 -12.113 3.541 1.00 0.00 O ATOM 1725 CG2 THR A 110 23.504 -14.362 4.245 1.00 0.00 C ATOM 0 H THR A 110 21.922 -12.751 2.329 1.00 0.00 H new ATOM 0 HA THR A 110 21.237 -13.125 5.127 1.00 0.00 H new ATOM 0 HB THR A 110 23.636 -12.641 5.502 1.00 0.00 H new ATOM 0 HG1 THR A 110 24.981 -12.345 3.604 1.00 0.00 H new ATOM 0 HG21 THR A 110 24.568 -14.591 4.312 1.00 0.00 H new ATOM 0 HG22 THR A 110 22.960 -14.941 4.991 1.00 0.00 H new ATOM 0 HG23 THR A 110 23.140 -14.619 3.250 1.00 0.00 H new ATOM 1733 N ASP A 111 21.399 -10.759 6.029 1.00 0.00 N ATOM 1734 CA ASP A 111 21.214 -9.387 6.486 1.00 0.00 C ATOM 1735 C ASP A 111 22.408 -8.520 6.099 1.00 0.00 C ATOM 1736 O ASP A 111 22.246 -7.371 5.687 1.00 0.00 O ATOM 1737 CB ASP A 111 21.013 -9.354 8.001 1.00 0.00 C ATOM 1738 CG ASP A 111 22.052 -10.173 8.741 1.00 0.00 C ATOM 1739 OD1 ASP A 111 23.132 -9.626 9.046 1.00 0.00 O ATOM 1740 OD2 ASP A 111 21.785 -11.363 9.015 1.00 0.00 O ATOM 0 H ASP A 111 21.349 -11.460 6.769 1.00 0.00 H new ATOM 0 HA ASP A 111 20.324 -8.985 6.001 1.00 0.00 H new ATOM 0 HB2 ASP A 111 21.054 -8.321 8.348 1.00 0.00 H new ATOM 0 HB3 ASP A 111 20.019 -9.731 8.241 1.00 0.00 H new ATOM 1745 N GLN A 112 23.607 -9.077 6.237 1.00 0.00 N ATOM 1746 CA GLN A 112 24.828 -8.354 5.903 1.00 0.00 C ATOM 1747 C GLN A 112 24.647 -7.538 4.628 1.00 0.00 C ATOM 1748 O GLN A 112 25.186 -6.439 4.501 1.00 0.00 O ATOM 1749 CB GLN A 112 25.995 -9.330 5.737 1.00 0.00 C ATOM 1750 CG GLN A 112 27.333 -8.645 5.514 1.00 0.00 C ATOM 1751 CD GLN A 112 27.831 -7.918 6.748 1.00 0.00 C ATOM 1752 OE1 GLN A 112 27.224 -7.998 7.816 1.00 0.00 O ATOM 1753 NE2 GLN A 112 28.942 -7.205 6.607 1.00 0.00 N ATOM 0 H GLN A 112 23.759 -10.026 6.578 1.00 0.00 H new ATOM 0 HA GLN A 112 25.050 -7.669 6.722 1.00 0.00 H new ATOM 0 HB2 GLN A 112 26.061 -9.958 6.625 1.00 0.00 H new ATOM 0 HB3 GLN A 112 25.789 -9.990 4.894 1.00 0.00 H new ATOM 0 HG2 GLN A 112 28.071 -9.388 5.212 1.00 0.00 H new ATOM 0 HG3 GLN A 112 27.241 -7.935 4.692 1.00 0.00 H new ATOM 0 HE21 GLN A 112 29.412 -7.167 5.703 1.00 0.00 H new ATOM 0 HE22 GLN A 112 29.325 -6.695 7.403 1.00 0.00 H new ATOM 1762 N ALA A 113 23.885 -8.084 3.686 1.00 0.00 N ATOM 1763 CA ALA A 113 23.632 -7.405 2.421 1.00 0.00 C ATOM 1764 C ALA A 113 22.264 -6.732 2.423 1.00 0.00 C ATOM 1765 O ALA A 113 22.145 -5.544 2.124 1.00 0.00 O ATOM 1766 CB ALA A 113 23.735 -8.389 1.264 1.00 0.00 C ATOM 0 H ALA A 113 23.432 -8.994 3.775 1.00 0.00 H new ATOM 0 HA ALA A 113 24.389 -6.631 2.295 1.00 0.00 H new ATOM 0 HB1 ALA A 113 23.544 -7.869 0.326 1.00 0.00 H new ATOM 0 HB2 ALA A 113 24.735 -8.821 1.242 1.00 0.00 H new ATOM 0 HB3 ALA A 113 23.000 -9.183 1.395 1.00 0.00 H new ATOM 1772 N VAL A 114 21.232 -7.498 2.763 1.00 0.00 N ATOM 1773 CA VAL A 114 19.872 -6.975 2.805 1.00 0.00 C ATOM 1774 C VAL A 114 19.826 -5.619 3.499 1.00 0.00 C ATOM 1775 O VAL A 114 19.441 -4.616 2.897 1.00 0.00 O ATOM 1776 CB VAL A 114 18.921 -7.944 3.533 1.00 0.00 C ATOM 1777 CG1 VAL A 114 17.524 -7.349 3.630 1.00 0.00 C ATOM 1778 CG2 VAL A 114 18.887 -9.290 2.825 1.00 0.00 C ATOM 0 H VAL A 114 21.312 -8.483 3.013 1.00 0.00 H new ATOM 0 HA VAL A 114 19.544 -6.862 1.772 1.00 0.00 H new ATOM 0 HB VAL A 114 19.295 -8.101 4.545 1.00 0.00 H new ATOM 0 HG11 VAL A 114 16.866 -8.047 4.147 1.00 0.00 H new ATOM 0 HG12 VAL A 114 17.566 -6.411 4.184 1.00 0.00 H new ATOM 0 HG13 VAL A 114 17.138 -7.161 2.628 1.00 0.00 H new ATOM 0 HG21 VAL A 114 18.210 -9.962 3.353 1.00 0.00 H new ATOM 0 HG22 VAL A 114 18.538 -9.154 1.801 1.00 0.00 H new ATOM 0 HG23 VAL A 114 19.889 -9.720 2.813 1.00 0.00 H new ATOM 1788 N GLU A 115 20.222 -5.595 4.768 1.00 0.00 N ATOM 1789 CA GLU A 115 20.225 -4.360 5.543 1.00 0.00 C ATOM 1790 C GLU A 115 20.659 -3.178 4.681 1.00 0.00 C ATOM 1791 O GLU A 115 19.945 -2.180 4.572 1.00 0.00 O ATOM 1792 CB GLU A 115 21.155 -4.493 6.751 1.00 0.00 C ATOM 1793 CG GLU A 115 21.367 -3.189 7.502 1.00 0.00 C ATOM 1794 CD GLU A 115 22.560 -2.407 6.989 1.00 0.00 C ATOM 1795 OE1 GLU A 115 23.329 -2.962 6.177 1.00 0.00 O ATOM 1796 OE2 GLU A 115 22.725 -1.240 7.401 1.00 0.00 O ATOM 0 H GLU A 115 20.544 -6.416 5.280 1.00 0.00 H new ATOM 0 HA GLU A 115 19.209 -4.178 5.893 1.00 0.00 H new ATOM 0 HB2 GLU A 115 20.743 -5.234 7.436 1.00 0.00 H new ATOM 0 HB3 GLU A 115 22.121 -4.871 6.416 1.00 0.00 H new ATOM 0 HG2 GLU A 115 20.471 -2.575 7.416 1.00 0.00 H new ATOM 0 HG3 GLU A 115 21.506 -3.403 8.562 1.00 0.00 H new ATOM 1803 N PHE A 116 21.833 -3.296 4.072 1.00 0.00 N ATOM 1804 CA PHE A 116 22.364 -2.238 3.221 1.00 0.00 C ATOM 1805 C PHE A 116 21.448 -1.990 2.026 1.00 0.00 C ATOM 1806 O PHE A 116 21.004 -0.865 1.793 1.00 0.00 O ATOM 1807 CB PHE A 116 23.768 -2.601 2.734 1.00 0.00 C ATOM 1808 CG PHE A 116 24.851 -2.251 3.714 1.00 0.00 C ATOM 1809 CD1 PHE A 116 25.023 -0.943 4.139 1.00 0.00 C ATOM 1810 CD2 PHE A 116 25.697 -3.229 4.211 1.00 0.00 C ATOM 1811 CE1 PHE A 116 26.020 -0.618 5.040 1.00 0.00 C ATOM 1812 CE2 PHE A 116 26.695 -2.911 5.113 1.00 0.00 C ATOM 1813 CZ PHE A 116 26.856 -1.603 5.529 1.00 0.00 C ATOM 0 H PHE A 116 22.436 -4.115 4.152 1.00 0.00 H new ATOM 0 HA PHE A 116 22.417 -1.324 3.812 1.00 0.00 H new ATOM 0 HB2 PHE A 116 23.807 -3.671 2.528 1.00 0.00 H new ATOM 0 HB3 PHE A 116 23.961 -2.088 1.792 1.00 0.00 H new ATOM 0 HD1 PHE A 116 24.371 -0.169 3.762 1.00 0.00 H new ATOM 0 HD2 PHE A 116 25.575 -4.253 3.890 1.00 0.00 H new ATOM 0 HE1 PHE A 116 26.145 0.405 5.361 1.00 0.00 H new ATOM 0 HE2 PHE A 116 27.348 -3.683 5.492 1.00 0.00 H new ATOM 0 HZ PHE A 116 27.634 -1.351 6.235 1.00 0.00 H new ATOM 1823 N PHE A 117 21.169 -3.048 1.272 1.00 0.00 N ATOM 1824 CA PHE A 117 20.308 -2.947 0.100 1.00 0.00 C ATOM 1825 C PHE A 117 19.111 -2.043 0.382 1.00 0.00 C ATOM 1826 O PHE A 117 18.828 -1.115 -0.377 1.00 0.00 O ATOM 1827 CB PHE A 117 19.824 -4.334 -0.325 1.00 0.00 C ATOM 1828 CG PHE A 117 18.682 -4.298 -1.300 1.00 0.00 C ATOM 1829 CD1 PHE A 117 18.873 -3.848 -2.596 1.00 0.00 C ATOM 1830 CD2 PHE A 117 17.416 -4.716 -0.920 1.00 0.00 C ATOM 1831 CE1 PHE A 117 17.823 -3.813 -3.494 1.00 0.00 C ATOM 1832 CE2 PHE A 117 16.363 -4.684 -1.814 1.00 0.00 C ATOM 1833 CZ PHE A 117 16.567 -4.232 -3.103 1.00 0.00 C ATOM 0 H PHE A 117 21.527 -3.986 1.452 1.00 0.00 H new ATOM 0 HA PHE A 117 20.890 -2.509 -0.711 1.00 0.00 H new ATOM 0 HB2 PHE A 117 20.656 -4.879 -0.772 1.00 0.00 H new ATOM 0 HB3 PHE A 117 19.517 -4.890 0.561 1.00 0.00 H new ATOM 0 HD1 PHE A 117 19.854 -3.521 -2.908 1.00 0.00 H new ATOM 0 HD2 PHE A 117 17.251 -5.071 0.087 1.00 0.00 H new ATOM 0 HE1 PHE A 117 17.985 -3.458 -4.501 1.00 0.00 H new ATOM 0 HE2 PHE A 117 15.381 -5.012 -1.505 1.00 0.00 H new ATOM 0 HZ PHE A 117 15.746 -4.206 -3.804 1.00 0.00 H new ATOM 1843 N ILE A 118 18.412 -2.322 1.477 1.00 0.00 N ATOM 1844 CA ILE A 118 17.246 -1.534 1.859 1.00 0.00 C ATOM 1845 C ILE A 118 17.635 -0.094 2.176 1.00 0.00 C ATOM 1846 O ILE A 118 16.923 0.845 1.821 1.00 0.00 O ATOM 1847 CB ILE A 118 16.532 -2.142 3.081 1.00 0.00 C ATOM 1848 CG1 ILE A 118 16.095 -3.578 2.781 1.00 0.00 C ATOM 1849 CG2 ILE A 118 15.335 -1.289 3.474 1.00 0.00 C ATOM 1850 CD1 ILE A 118 15.586 -4.320 3.997 1.00 0.00 C ATOM 0 H ILE A 118 18.632 -3.087 2.115 1.00 0.00 H new ATOM 0 HA ILE A 118 16.565 -1.545 1.008 1.00 0.00 H new ATOM 0 HB ILE A 118 17.229 -2.162 3.918 1.00 0.00 H new ATOM 0 HG12 ILE A 118 15.313 -3.560 2.022 1.00 0.00 H new ATOM 0 HG13 ILE A 118 16.937 -4.125 2.358 1.00 0.00 H new ATOM 0 HG21 ILE A 118 14.841 -1.732 4.339 1.00 0.00 H new ATOM 0 HG22 ILE A 118 15.672 -0.283 3.724 1.00 0.00 H new ATOM 0 HG23 ILE A 118 14.634 -1.240 2.641 1.00 0.00 H new ATOM 0 HD11 ILE A 118 15.294 -5.330 3.711 1.00 0.00 H new ATOM 0 HD12 ILE A 118 16.373 -4.369 4.749 1.00 0.00 H new ATOM 0 HD13 ILE A 118 14.723 -3.796 4.408 1.00 0.00 H new ATOM 1862 N ARG A 119 18.771 0.072 2.846 1.00 0.00 N ATOM 1863 CA ARG A 119 19.256 1.398 3.211 1.00 0.00 C ATOM 1864 C ARG A 119 19.541 2.234 1.966 1.00 0.00 C ATOM 1865 O ARG A 119 18.980 3.315 1.791 1.00 0.00 O ATOM 1866 CB ARG A 119 20.521 1.285 4.063 1.00 0.00 C ATOM 1867 CG ARG A 119 20.245 1.223 5.557 1.00 0.00 C ATOM 1868 CD ARG A 119 21.523 1.376 6.366 1.00 0.00 C ATOM 1869 NE ARG A 119 21.254 1.498 7.796 1.00 0.00 N ATOM 1870 CZ ARG A 119 20.842 2.622 8.373 1.00 0.00 C ATOM 1871 NH1 ARG A 119 20.652 3.713 7.645 1.00 0.00 N ATOM 1872 NH2 ARG A 119 20.619 2.654 9.680 1.00 0.00 N ATOM 0 H ARG A 119 19.372 -0.695 3.147 1.00 0.00 H new ATOM 0 HA ARG A 119 18.479 1.895 3.792 1.00 0.00 H new ATOM 0 HB2 ARG A 119 21.070 0.392 3.766 1.00 0.00 H new ATOM 0 HB3 ARG A 119 21.166 2.139 3.856 1.00 0.00 H new ATOM 0 HG2 ARG A 119 19.543 2.010 5.831 1.00 0.00 H new ATOM 0 HG3 ARG A 119 19.770 0.273 5.801 1.00 0.00 H new ATOM 0 HD2 ARG A 119 22.168 0.515 6.191 1.00 0.00 H new ATOM 0 HD3 ARG A 119 22.066 2.257 6.023 1.00 0.00 H new ATOM 0 HE ARG A 119 21.390 0.676 8.384 1.00 0.00 H new ATOM 0 HH11 ARG A 119 20.822 3.691 6.640 1.00 0.00 H new ATOM 0 HH12 ARG A 119 20.336 4.574 8.090 1.00 0.00 H new ATOM 0 HH21 ARG A 119 20.764 1.816 10.243 1.00 0.00 H new ATOM 0 HH22 ARG A 119 20.303 3.517 10.122 1.00 0.00 H new ATOM 1886 N ASP A 120 20.417 1.725 1.107 1.00 0.00 N ATOM 1887 CA ASP A 120 20.777 2.424 -0.122 1.00 0.00 C ATOM 1888 C ASP A 120 19.636 2.368 -1.133 1.00 0.00 C ATOM 1889 O ASP A 120 19.683 3.022 -2.175 1.00 0.00 O ATOM 1890 CB ASP A 120 22.042 1.815 -0.728 1.00 0.00 C ATOM 1891 CG ASP A 120 23.202 1.800 0.248 1.00 0.00 C ATOM 1892 OD1 ASP A 120 23.245 2.681 1.132 1.00 0.00 O ATOM 1893 OD2 ASP A 120 24.067 0.907 0.128 1.00 0.00 O ATOM 0 H ASP A 120 20.891 0.831 1.238 1.00 0.00 H new ATOM 0 HA ASP A 120 20.968 3.468 0.125 1.00 0.00 H new ATOM 0 HB2 ASP A 120 21.831 0.796 -1.053 1.00 0.00 H new ATOM 0 HB3 ASP A 120 22.325 2.381 -1.616 1.00 0.00 H new ATOM 1898 N LYS A 121 18.612 1.581 -0.819 1.00 0.00 N ATOM 1899 CA LYS A 121 17.458 1.439 -1.699 1.00 0.00 C ATOM 1900 C LYS A 121 16.434 2.538 -1.435 1.00 0.00 C ATOM 1901 O LYS A 121 15.830 3.073 -2.365 1.00 0.00 O ATOM 1902 CB LYS A 121 16.810 0.066 -1.507 1.00 0.00 C ATOM 1903 CG LYS A 121 15.382 -0.010 -2.017 1.00 0.00 C ATOM 1904 CD LYS A 121 14.883 -1.444 -2.068 1.00 0.00 C ATOM 1905 CE LYS A 121 13.688 -1.586 -2.998 1.00 0.00 C ATOM 1906 NZ LYS A 121 12.793 -2.702 -2.585 1.00 0.00 N ATOM 0 H LYS A 121 18.558 1.032 0.039 1.00 0.00 H new ATOM 0 HA LYS A 121 17.804 1.529 -2.729 1.00 0.00 H new ATOM 0 HB2 LYS A 121 17.411 -0.685 -2.021 1.00 0.00 H new ATOM 0 HB3 LYS A 121 16.822 -0.187 -0.447 1.00 0.00 H new ATOM 0 HG2 LYS A 121 14.732 0.579 -1.370 1.00 0.00 H new ATOM 0 HG3 LYS A 121 15.326 0.431 -3.012 1.00 0.00 H new ATOM 0 HD2 LYS A 121 15.687 -2.098 -2.405 1.00 0.00 H new ATOM 0 HD3 LYS A 121 14.606 -1.770 -1.065 1.00 0.00 H new ATOM 0 HE2 LYS A 121 13.124 -0.653 -3.009 1.00 0.00 H new ATOM 0 HE3 LYS A 121 14.038 -1.759 -4.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 12.888 -3.490 -3.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 13.058 -3.026 -1.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 11.807 -2.371 -2.576 1.00 0.00 H new ATOM 1920 N TYR A 122 16.243 2.869 -0.163 1.00 0.00 N ATOM 1921 CA TYR A 122 15.291 3.904 0.223 1.00 0.00 C ATOM 1922 C TYR A 122 16.013 5.136 0.759 1.00 0.00 C ATOM 1923 O TYR A 122 15.734 6.261 0.345 1.00 0.00 O ATOM 1924 CB TYR A 122 14.323 3.367 1.279 1.00 0.00 C ATOM 1925 CG TYR A 122 13.311 2.387 0.729 1.00 0.00 C ATOM 1926 CD1 TYR A 122 13.601 1.030 0.649 1.00 0.00 C ATOM 1927 CD2 TYR A 122 12.065 2.817 0.289 1.00 0.00 C ATOM 1928 CE1 TYR A 122 12.680 0.131 0.147 1.00 0.00 C ATOM 1929 CE2 TYR A 122 11.137 1.926 -0.213 1.00 0.00 C ATOM 1930 CZ TYR A 122 11.449 0.584 -0.282 1.00 0.00 C ATOM 1931 OH TYR A 122 10.528 -0.308 -0.783 1.00 0.00 O ATOM 0 H TYR A 122 16.735 2.436 0.619 1.00 0.00 H new ATOM 0 HA TYR A 122 14.728 4.193 -0.664 1.00 0.00 H new ATOM 0 HB2 TYR A 122 14.894 2.881 2.070 1.00 0.00 H new ATOM 0 HB3 TYR A 122 13.795 4.204 1.735 1.00 0.00 H new ATOM 0 HD1 TYR A 122 14.563 0.672 0.985 1.00 0.00 H new ATOM 0 HD2 TYR A 122 11.818 3.867 0.341 1.00 0.00 H new ATOM 0 HE1 TYR A 122 12.922 -0.920 0.091 1.00 0.00 H new ATOM 0 HE2 TYR A 122 10.173 2.278 -0.550 1.00 0.00 H new ATOM 0 HH TYR A 122 9.713 0.172 -1.039 1.00 0.00 H new ATOM 1941 N GLU A 123 16.943 4.914 1.683 1.00 0.00 N ATOM 1942 CA GLU A 123 17.705 6.006 2.276 1.00 0.00 C ATOM 1943 C GLU A 123 18.459 6.789 1.205 1.00 0.00 C ATOM 1944 O GLU A 123 18.300 8.003 1.079 1.00 0.00 O ATOM 1945 CB GLU A 123 18.690 5.465 3.315 1.00 0.00 C ATOM 1946 CG GLU A 123 19.061 6.476 4.387 1.00 0.00 C ATOM 1947 CD GLU A 123 20.100 7.473 3.913 1.00 0.00 C ATOM 1948 OE1 GLU A 123 21.142 7.037 3.380 1.00 0.00 O ATOM 1949 OE2 GLU A 123 19.872 8.690 4.077 1.00 0.00 O ATOM 0 H GLU A 123 17.186 3.989 2.036 1.00 0.00 H new ATOM 0 HA GLU A 123 17.003 6.679 2.767 1.00 0.00 H new ATOM 0 HB2 GLU A 123 18.256 4.586 3.791 1.00 0.00 H new ATOM 0 HB3 GLU A 123 19.597 5.137 2.807 1.00 0.00 H new ATOM 0 HG2 GLU A 123 18.165 7.012 4.701 1.00 0.00 H new ATOM 0 HG3 GLU A 123 19.441 5.949 5.262 1.00 0.00 H new ATOM 1956 N LYS A 124 19.281 6.084 0.435 1.00 0.00 N ATOM 1957 CA LYS A 124 20.060 6.710 -0.627 1.00 0.00 C ATOM 1958 C LYS A 124 19.206 6.929 -1.872 1.00 0.00 C ATOM 1959 O LYS A 124 19.533 7.755 -2.725 1.00 0.00 O ATOM 1960 CB LYS A 124 21.274 5.846 -0.975 1.00 0.00 C ATOM 1961 CG LYS A 124 22.231 5.646 0.188 1.00 0.00 C ATOM 1962 CD LYS A 124 23.118 6.862 0.396 1.00 0.00 C ATOM 1963 CE LYS A 124 24.298 6.862 -0.563 1.00 0.00 C ATOM 1964 NZ LYS A 124 25.190 8.034 -0.345 1.00 0.00 N ATOM 0 H LYS A 124 19.425 5.078 0.527 1.00 0.00 H new ATOM 0 HA LYS A 124 20.403 7.680 -0.267 1.00 0.00 H new ATOM 0 HB2 LYS A 124 20.929 4.872 -1.322 1.00 0.00 H new ATOM 0 HB3 LYS A 124 21.813 6.307 -1.803 1.00 0.00 H new ATOM 0 HG2 LYS A 124 21.664 5.449 1.097 1.00 0.00 H new ATOM 0 HG3 LYS A 124 22.852 4.769 0.003 1.00 0.00 H new ATOM 0 HD2 LYS A 124 22.532 7.770 0.253 1.00 0.00 H new ATOM 0 HD3 LYS A 124 23.483 6.876 1.423 1.00 0.00 H new ATOM 0 HE2 LYS A 124 24.869 5.942 -0.436 1.00 0.00 H new ATOM 0 HE3 LYS A 124 23.932 6.870 -1.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 25.982 7.997 -1.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 24.652 8.912 -0.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 25.560 8.013 0.627 1.00 0.00 H new ATOM 1978 N LYS A 125 18.109 6.186 -1.969 1.00 0.00 N ATOM 1979 CA LYS A 125 17.205 6.301 -3.108 1.00 0.00 C ATOM 1980 C LYS A 125 17.925 5.965 -4.410 1.00 0.00 C ATOM 1981 O LYS A 125 17.582 6.483 -5.473 1.00 0.00 O ATOM 1982 CB LYS A 125 16.624 7.714 -3.184 1.00 0.00 C ATOM 1983 CG LYS A 125 15.804 8.101 -1.965 1.00 0.00 C ATOM 1984 CD LYS A 125 14.454 7.403 -1.956 1.00 0.00 C ATOM 1985 CE LYS A 125 13.419 8.201 -1.179 1.00 0.00 C ATOM 1986 NZ LYS A 125 13.643 8.117 0.291 1.00 0.00 N ATOM 0 H LYS A 125 17.824 5.497 -1.273 1.00 0.00 H new ATOM 0 HA LYS A 125 16.392 5.588 -2.968 1.00 0.00 H new ATOM 0 HB2 LYS A 125 17.440 8.427 -3.304 1.00 0.00 H new ATOM 0 HB3 LYS A 125 15.998 7.793 -4.073 1.00 0.00 H new ATOM 0 HG2 LYS A 125 16.353 7.844 -1.059 1.00 0.00 H new ATOM 0 HG3 LYS A 125 15.656 9.181 -1.953 1.00 0.00 H new ATOM 0 HD2 LYS A 125 14.110 7.260 -2.980 1.00 0.00 H new ATOM 0 HD3 LYS A 125 14.558 6.412 -1.513 1.00 0.00 H new ATOM 0 HE2 LYS A 125 13.454 9.244 -1.493 1.00 0.00 H new ATOM 0 HE3 LYS A 125 12.422 7.830 -1.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 12.742 7.912 0.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 14.324 7.358 0.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 14.020 9.022 0.637 1.00 0.00 H new ATOM 2000 N LYS A 126 18.924 5.094 -4.320 1.00 0.00 N ATOM 2001 CA LYS A 126 19.692 4.686 -5.491 1.00 0.00 C ATOM 2002 C LYS A 126 18.769 4.201 -6.605 1.00 0.00 C ATOM 2003 O LYS A 126 18.551 4.903 -7.593 1.00 0.00 O ATOM 2004 CB LYS A 126 20.682 3.581 -5.118 1.00 0.00 C ATOM 2005 CG LYS A 126 22.055 4.100 -4.729 1.00 0.00 C ATOM 2006 CD LYS A 126 22.939 2.989 -4.188 1.00 0.00 C ATOM 2007 CE LYS A 126 23.586 2.195 -5.313 1.00 0.00 C ATOM 2008 NZ LYS A 126 24.852 1.543 -4.875 1.00 0.00 N ATOM 0 H LYS A 126 19.221 4.657 -3.448 1.00 0.00 H new ATOM 0 HA LYS A 126 20.244 5.553 -5.852 1.00 0.00 H new ATOM 0 HB2 LYS A 126 20.273 3.003 -4.289 1.00 0.00 H new ATOM 0 HB3 LYS A 126 20.786 2.899 -5.961 1.00 0.00 H new ATOM 0 HG2 LYS A 126 22.532 4.556 -5.597 1.00 0.00 H new ATOM 0 HG3 LYS A 126 21.950 4.881 -3.976 1.00 0.00 H new ATOM 0 HD2 LYS A 126 23.713 3.416 -3.551 1.00 0.00 H new ATOM 0 HD3 LYS A 126 22.345 2.321 -3.564 1.00 0.00 H new ATOM 0 HE2 LYS A 126 22.890 1.435 -5.668 1.00 0.00 H new ATOM 0 HE3 LYS A 126 23.791 2.857 -6.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 25.262 1.012 -5.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 25.526 2.270 -4.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 24.653 0.891 -4.089 1.00 0.00 H new ATOM 2022 N TYR A 127 18.228 3.000 -6.438 1.00 0.00 N ATOM 2023 CA TYR A 127 17.329 2.421 -7.430 1.00 0.00 C ATOM 2024 C TYR A 127 16.051 3.245 -7.553 1.00 0.00 C ATOM 2025 O TYR A 127 15.349 3.176 -8.561 1.00 0.00 O ATOM 2026 CB TYR A 127 16.985 0.978 -7.057 1.00 0.00 C ATOM 2027 CG TYR A 127 18.176 0.175 -6.584 1.00 0.00 C ATOM 2028 CD1 TYR A 127 18.633 0.277 -5.276 1.00 0.00 C ATOM 2029 CD2 TYR A 127 18.844 -0.686 -7.446 1.00 0.00 C ATOM 2030 CE1 TYR A 127 19.720 -0.455 -4.840 1.00 0.00 C ATOM 2031 CE2 TYR A 127 19.932 -1.423 -7.018 1.00 0.00 C ATOM 2032 CZ TYR A 127 20.366 -1.303 -5.715 1.00 0.00 C ATOM 2033 OH TYR A 127 21.450 -2.034 -5.285 1.00 0.00 O ATOM 0 H TYR A 127 18.396 2.408 -5.625 1.00 0.00 H new ATOM 0 HA TYR A 127 17.839 2.428 -8.393 1.00 0.00 H new ATOM 0 HB2 TYR A 127 16.227 0.985 -6.273 1.00 0.00 H new ATOM 0 HB3 TYR A 127 16.544 0.483 -7.922 1.00 0.00 H new ATOM 0 HD1 TYR A 127 18.130 0.940 -4.588 1.00 0.00 H new ATOM 0 HD2 TYR A 127 18.507 -0.781 -8.468 1.00 0.00 H new ATOM 0 HE1 TYR A 127 20.062 -0.364 -3.820 1.00 0.00 H new ATOM 0 HE2 TYR A 127 20.439 -2.089 -7.700 1.00 0.00 H new ATOM 0 HH TYR A 127 21.789 -2.582 -6.023 1.00 0.00 H new ATOM 2043 N TYR A 128 15.757 4.025 -6.519 1.00 0.00 N ATOM 2044 CA TYR A 128 14.563 4.862 -6.508 1.00 0.00 C ATOM 2045 C TYR A 128 14.426 5.632 -7.819 1.00 0.00 C ATOM 2046 O TYR A 128 15.337 6.352 -8.227 1.00 0.00 O ATOM 2047 CB TYR A 128 14.609 5.839 -5.332 1.00 0.00 C ATOM 2048 CG TYR A 128 13.306 6.569 -5.099 1.00 0.00 C ATOM 2049 CD1 TYR A 128 12.168 5.886 -4.687 1.00 0.00 C ATOM 2050 CD2 TYR A 128 13.211 7.942 -5.291 1.00 0.00 C ATOM 2051 CE1 TYR A 128 10.975 6.548 -4.473 1.00 0.00 C ATOM 2052 CE2 TYR A 128 12.023 8.613 -5.078 1.00 0.00 C ATOM 2053 CZ TYR A 128 10.907 7.911 -4.670 1.00 0.00 C ATOM 2054 OH TYR A 128 9.721 8.575 -4.457 1.00 0.00 O ATOM 0 H TYR A 128 16.329 4.095 -5.677 1.00 0.00 H new ATOM 0 HA TYR A 128 13.695 4.212 -6.397 1.00 0.00 H new ATOM 0 HB2 TYR A 128 14.876 5.293 -4.427 1.00 0.00 H new ATOM 0 HB3 TYR A 128 15.398 6.570 -5.508 1.00 0.00 H new ATOM 0 HD1 TYR A 128 12.217 4.818 -4.531 1.00 0.00 H new ATOM 0 HD2 TYR A 128 14.082 8.494 -5.613 1.00 0.00 H new ATOM 0 HE1 TYR A 128 10.100 6.001 -4.153 1.00 0.00 H new ATOM 0 HE2 TYR A 128 11.968 9.681 -5.230 1.00 0.00 H new ATOM 0 HH TYR A 128 9.843 9.530 -4.639 1.00 0.00 H new ATOM 2064 N ASP A 129 13.280 5.475 -8.472 1.00 0.00 N ATOM 2065 CA ASP A 129 13.020 6.155 -9.735 1.00 0.00 C ATOM 2066 C ASP A 129 12.143 7.384 -9.520 1.00 0.00 C ATOM 2067 O ASP A 129 10.932 7.270 -9.329 1.00 0.00 O ATOM 2068 CB ASP A 129 12.350 5.201 -10.725 1.00 0.00 C ATOM 2069 CG ASP A 129 12.469 5.678 -12.159 1.00 0.00 C ATOM 2070 OD1 ASP A 129 13.596 5.667 -12.697 1.00 0.00 O ATOM 2071 OD2 ASP A 129 11.434 6.060 -12.745 1.00 0.00 O ATOM 0 H ASP A 129 12.516 4.882 -8.147 1.00 0.00 H new ATOM 0 HA ASP A 129 13.975 6.480 -10.147 1.00 0.00 H new ATOM 0 HB2 ASP A 129 12.801 4.213 -10.635 1.00 0.00 H new ATOM 0 HB3 ASP A 129 11.296 5.095 -10.467 1.00 0.00 H new ATOM 2076 N LYS A 130 12.761 8.560 -9.552 1.00 0.00 N ATOM 2077 CA LYS A 130 12.038 9.811 -9.361 1.00 0.00 C ATOM 2078 C LYS A 130 11.333 10.234 -10.646 1.00 0.00 C ATOM 2079 O LYS A 130 10.234 10.786 -10.609 1.00 0.00 O ATOM 2080 CB LYS A 130 12.996 10.914 -8.906 1.00 0.00 C ATOM 2081 CG LYS A 130 13.954 11.373 -9.991 1.00 0.00 C ATOM 2082 CD LYS A 130 13.375 12.524 -10.796 1.00 0.00 C ATOM 2083 CE LYS A 130 13.531 13.849 -10.065 1.00 0.00 C ATOM 2084 NZ LYS A 130 14.915 14.387 -10.181 1.00 0.00 N ATOM 0 H LYS A 130 13.763 8.672 -9.709 1.00 0.00 H new ATOM 0 HA LYS A 130 11.285 9.651 -8.589 1.00 0.00 H new ATOM 0 HB2 LYS A 130 12.415 11.769 -8.561 1.00 0.00 H new ATOM 0 HB3 LYS A 130 13.572 10.555 -8.053 1.00 0.00 H new ATOM 0 HG2 LYS A 130 14.896 11.682 -9.539 1.00 0.00 H new ATOM 0 HG3 LYS A 130 14.178 10.539 -10.656 1.00 0.00 H new ATOM 0 HD2 LYS A 130 13.874 12.580 -11.764 1.00 0.00 H new ATOM 0 HD3 LYS A 130 12.319 12.337 -10.992 1.00 0.00 H new ATOM 0 HE2 LYS A 130 12.825 14.573 -10.471 1.00 0.00 H new ATOM 0 HE3 LYS A 130 13.280 13.715 -9.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 15.130 14.974 -9.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 15.591 13.598 -10.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 14.992 14.965 -11.042 1.00 0.00 H new ATOM 2098 N ASN A 131 11.972 9.970 -11.780 1.00 0.00 N ATOM 2099 CA ASN A 131 11.405 10.322 -13.077 1.00 0.00 C ATOM 2100 C ASN A 131 9.915 9.998 -13.126 1.00 0.00 C ATOM 2101 O ASN A 131 9.109 10.804 -13.589 1.00 0.00 O ATOM 2102 CB ASN A 131 12.138 9.579 -14.196 1.00 0.00 C ATOM 2103 CG ASN A 131 13.563 10.064 -14.376 1.00 0.00 C ATOM 2104 OD1 ASN A 131 13.957 11.089 -13.819 1.00 0.00 O ATOM 2105 ND2 ASN A 131 14.344 9.328 -15.158 1.00 0.00 N ATOM 0 H ASN A 131 12.883 9.513 -11.828 1.00 0.00 H new ATOM 0 HA ASN A 131 11.529 11.395 -13.221 1.00 0.00 H new ATOM 0 HB2 ASN A 131 12.146 8.512 -13.975 1.00 0.00 H new ATOM 0 HB3 ASN A 131 11.593 9.707 -15.131 1.00 0.00 H new ATOM 0 HD21 ASN A 131 15.313 9.605 -15.317 1.00 0.00 H new ATOM 0 HD22 ASN A 131 13.975 8.486 -15.600 1.00 0.00 H new ATOM 2112 N ALA A 132 9.558 8.812 -12.644 1.00 0.00 N ATOM 2113 CA ALA A 132 8.165 8.382 -12.630 1.00 0.00 C ATOM 2114 C ALA A 132 7.313 9.307 -11.769 1.00 0.00 C ATOM 2115 O ALA A 132 6.279 9.806 -12.213 1.00 0.00 O ATOM 2116 CB ALA A 132 8.061 6.948 -12.131 1.00 0.00 C ATOM 0 H ALA A 132 10.214 8.132 -12.258 1.00 0.00 H new ATOM 0 HA ALA A 132 7.786 8.429 -13.651 1.00 0.00 H new ATOM 0 HB1 ALA A 132 7.016 6.640 -12.126 1.00 0.00 H new ATOM 0 HB2 ALA A 132 8.630 6.291 -12.790 1.00 0.00 H new ATOM 0 HB3 ALA A 132 8.463 6.885 -11.120 1.00 0.00 H new ATOM 2122 N ILE A 133 7.754 9.532 -10.535 1.00 0.00 N ATOM 2123 CA ILE A 133 7.031 10.399 -9.613 1.00 0.00 C ATOM 2124 C ILE A 133 6.442 11.604 -10.337 1.00 0.00 C ATOM 2125 O ILE A 133 5.252 11.892 -10.219 1.00 0.00 O ATOM 2126 CB ILE A 133 7.942 10.893 -8.474 1.00 0.00 C ATOM 2127 CG1 ILE A 133 8.556 9.705 -7.730 1.00 0.00 C ATOM 2128 CG2 ILE A 133 7.160 11.778 -7.515 1.00 0.00 C ATOM 2129 CD1 ILE A 133 7.530 8.804 -7.079 1.00 0.00 C ATOM 0 H ILE A 133 8.608 9.126 -10.152 1.00 0.00 H new ATOM 0 HA ILE A 133 6.223 9.803 -9.189 1.00 0.00 H new ATOM 0 HB ILE A 133 8.750 11.484 -8.906 1.00 0.00 H new ATOM 0 HG12 ILE A 133 9.152 9.118 -8.429 1.00 0.00 H new ATOM 0 HG13 ILE A 133 9.237 10.078 -6.965 1.00 0.00 H new ATOM 0 HG21 ILE A 133 7.818 12.119 -6.716 1.00 0.00 H new ATOM 0 HG22 ILE A 133 6.767 12.640 -8.054 1.00 0.00 H new ATOM 0 HG23 ILE A 133 6.334 11.210 -7.087 1.00 0.00 H new ATOM 0 HD11 ILE A 133 8.037 7.984 -6.570 1.00 0.00 H new ATOM 0 HD12 ILE A 133 6.950 9.377 -6.356 1.00 0.00 H new ATOM 0 HD13 ILE A 133 6.863 8.401 -7.842 1.00 0.00 H new ATOM 2141 N ALA A 134 7.285 12.305 -11.090 1.00 0.00 N ATOM 2142 CA ALA A 134 6.847 13.477 -11.837 1.00 0.00 C ATOM 2143 C ALA A 134 6.502 14.629 -10.899 1.00 0.00 C ATOM 2144 O ALA A 134 5.647 15.459 -11.210 1.00 0.00 O ATOM 2145 CB ALA A 134 5.652 13.129 -12.712 1.00 0.00 C ATOM 0 H ALA A 134 8.274 12.081 -11.198 1.00 0.00 H new ATOM 0 HA ALA A 134 7.669 13.798 -12.476 1.00 0.00 H new ATOM 0 HB1 ALA A 134 5.335 14.014 -13.264 1.00 0.00 H new ATOM 0 HB2 ALA A 134 5.932 12.344 -13.414 1.00 0.00 H new ATOM 0 HB3 ALA A 134 4.831 12.780 -12.085 1.00 0.00 H new ATOM 2151 N ILE A 135 7.170 14.672 -9.752 1.00 0.00 N ATOM 2152 CA ILE A 135 6.933 15.722 -8.769 1.00 0.00 C ATOM 2153 C ILE A 135 6.541 17.031 -9.447 1.00 0.00 C ATOM 2154 O ILE A 135 5.457 17.564 -9.211 1.00 0.00 O ATOM 2155 CB ILE A 135 8.176 15.963 -7.892 1.00 0.00 C ATOM 2156 CG1 ILE A 135 8.347 14.822 -6.888 1.00 0.00 C ATOM 2157 CG2 ILE A 135 8.064 17.299 -7.172 1.00 0.00 C ATOM 2158 CD1 ILE A 135 7.286 14.801 -5.810 1.00 0.00 C ATOM 0 H ILE A 135 7.880 13.992 -9.480 1.00 0.00 H new ATOM 0 HA ILE A 135 6.113 15.383 -8.136 1.00 0.00 H new ATOM 0 HB ILE A 135 9.057 15.991 -8.534 1.00 0.00 H new ATOM 0 HG12 ILE A 135 8.329 13.872 -7.423 1.00 0.00 H new ATOM 0 HG13 ILE A 135 9.328 14.905 -6.420 1.00 0.00 H new ATOM 0 HG21 ILE A 135 8.949 17.456 -6.556 1.00 0.00 H new ATOM 0 HG22 ILE A 135 7.985 18.102 -7.905 1.00 0.00 H new ATOM 0 HG23 ILE A 135 7.177 17.298 -6.539 1.00 0.00 H new ATOM 0 HD11 ILE A 135 7.470 13.966 -5.134 1.00 0.00 H new ATOM 0 HD12 ILE A 135 7.318 15.735 -5.250 1.00 0.00 H new ATOM 0 HD13 ILE A 135 6.304 14.687 -6.268 1.00 0.00 H new ATOM 2170 N SER A 136 7.430 17.542 -10.292 1.00 0.00 N ATOM 2171 CA SER A 136 7.179 18.790 -11.004 1.00 0.00 C ATOM 2172 C SER A 136 8.165 18.967 -12.155 1.00 0.00 C ATOM 2173 O SER A 136 9.065 18.151 -12.347 1.00 0.00 O ATOM 2174 CB SER A 136 7.278 19.978 -10.045 1.00 0.00 C ATOM 2175 OG SER A 136 6.042 20.211 -9.393 1.00 0.00 O ATOM 0 H SER A 136 8.331 17.111 -10.501 1.00 0.00 H new ATOM 0 HA SER A 136 6.171 18.748 -11.416 1.00 0.00 H new ATOM 0 HB2 SER A 136 8.054 19.787 -9.303 1.00 0.00 H new ATOM 0 HB3 SER A 136 7.576 20.870 -10.596 1.00 0.00 H new ATOM 0 HG SER A 136 5.596 19.355 -9.221 1.00 0.00 H new ATOM 2181 N GLY A 137 7.987 20.041 -12.918 1.00 0.00 N ATOM 2182 CA GLY A 137 8.867 20.308 -14.041 1.00 0.00 C ATOM 2183 C GLY A 137 10.333 20.212 -13.664 1.00 0.00 C ATOM 2184 O GLY A 137 10.684 19.938 -12.516 1.00 0.00 O ATOM 0 H GLY A 137 7.249 20.731 -12.779 1.00 0.00 H new ATOM 0 HA2 GLY A 137 8.654 19.600 -14.842 1.00 0.00 H new ATOM 0 HA3 GLY A 137 8.660 21.304 -14.432 1.00 0.00 H new ATOM 2188 N PRO A 138 11.216 20.440 -14.647 1.00 0.00 N ATOM 2189 CA PRO A 138 12.666 20.383 -14.436 1.00 0.00 C ATOM 2190 C PRO A 138 13.173 21.537 -13.579 1.00 0.00 C ATOM 2191 O PRO A 138 13.538 22.593 -14.095 1.00 0.00 O ATOM 2192 CB PRO A 138 13.234 20.481 -15.854 1.00 0.00 C ATOM 2193 CG PRO A 138 12.184 21.192 -16.635 1.00 0.00 C ATOM 2194 CD PRO A 138 10.869 20.773 -16.038 1.00 0.00 C ATOM 0 HA PRO A 138 12.965 19.481 -13.903 1.00 0.00 H new ATOM 0 HB2 PRO A 138 14.176 21.030 -15.866 1.00 0.00 H new ATOM 0 HB3 PRO A 138 13.435 19.493 -16.269 1.00 0.00 H new ATOM 0 HG2 PRO A 138 12.315 22.272 -16.572 1.00 0.00 H new ATOM 0 HG3 PRO A 138 12.236 20.926 -17.691 1.00 0.00 H new ATOM 0 HD2 PRO A 138 10.132 21.574 -16.087 1.00 0.00 H new ATOM 0 HD3 PRO A 138 10.444 19.917 -16.562 1.00 0.00 H new ATOM 2202 N SER A 139 13.195 21.328 -12.266 1.00 0.00 N ATOM 2203 CA SER A 139 13.655 22.353 -11.336 1.00 0.00 C ATOM 2204 C SER A 139 14.880 23.077 -11.888 1.00 0.00 C ATOM 2205 O SER A 139 15.760 22.461 -12.488 1.00 0.00 O ATOM 2206 CB SER A 139 13.985 21.729 -9.979 1.00 0.00 C ATOM 2207 OG SER A 139 12.805 21.369 -9.283 1.00 0.00 O ATOM 0 H SER A 139 12.900 20.458 -11.823 1.00 0.00 H new ATOM 0 HA SER A 139 12.853 23.079 -11.208 1.00 0.00 H new ATOM 0 HB2 SER A 139 14.609 20.847 -10.123 1.00 0.00 H new ATOM 0 HB3 SER A 139 14.562 22.434 -9.382 1.00 0.00 H new ATOM 0 HG SER A 139 13.043 20.971 -8.420 1.00 0.00 H new ATOM 2213 N SER A 140 14.928 24.389 -11.679 1.00 0.00 N ATOM 2214 CA SER A 140 16.042 25.198 -12.158 1.00 0.00 C ATOM 2215 C SER A 140 16.541 26.137 -11.064 1.00 0.00 C ATOM 2216 O SER A 140 15.750 26.737 -10.337 1.00 0.00 O ATOM 2217 CB SER A 140 15.621 26.007 -13.387 1.00 0.00 C ATOM 2218 OG SER A 140 14.494 26.817 -13.103 1.00 0.00 O ATOM 0 H SER A 140 14.209 24.914 -11.181 1.00 0.00 H new ATOM 0 HA SER A 140 16.854 24.526 -12.435 1.00 0.00 H new ATOM 0 HB2 SER A 140 16.450 26.634 -13.715 1.00 0.00 H new ATOM 0 HB3 SER A 140 15.388 25.330 -14.209 1.00 0.00 H new ATOM 0 HG SER A 140 14.246 27.325 -13.904 1.00 0.00 H new ATOM 2224 N GLY A 141 17.860 26.260 -10.954 1.00 0.00 N ATOM 2225 CA GLY A 141 18.444 27.126 -9.947 1.00 0.00 C ATOM 2226 C GLY A 141 19.876 26.753 -9.620 1.00 0.00 C ATOM 2227 O GLY A 141 20.090 25.820 -8.847 1.00 0.00 O ATOM 0 H GLY A 141 18.535 25.775 -11.545 1.00 0.00 H new ATOM 0 HA2 GLY A 141 18.412 28.158 -10.297 1.00 0.00 H new ATOM 0 HA3 GLY A 141 17.843 27.078 -9.039 1.00 0.00 H new TER 2231 GLY A 141 HETATM 2232 ZN ZN A 401 12.101 -8.870 4.369 1.00 0.00 ZN