USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 834 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 48 GLN : amide:sc= -1.65! C(o=-1.6!,f=-3.1!) USER MOD Set 1.2: A 68 TYR OH : rot 180:sc= 0.0554 USER MOD Set 2.1: A 59 HIS : no HE2:sc= -0.255 K(o=-0.93,f=-2) USER MOD Set 2.2: A 66 GLN : amide:sc= -0.676 K(o=-0.93,f=-2.4) USER MOD Set 3.1: A 51 TYR OH : rot -145:sc= 0.00176 USER MOD Set 3.2: A 63 THR OG1 : rot 108:sc= 0.334 USER MOD Single : A 1 GLY N :NH3+ 160:sc= 0 (180deg=-0.113) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 23:sc= 0.00889! USER MOD Single : A 7 ASN : amide:sc= -0.201 K(o=-0.2,f=-2.8!) USER MOD Single : A 10 ASN : amide:sc=-0.00684 X(o=-0.0068,f=-0.29) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.00249 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= -0.141 X(o=-0.14,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0.0402 USER MOD Single : A 28 SER OG : rot 180:sc= -1.44 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 44:sc= 0.763 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -0.0165 X(o=-0.017,f=-0.0011) USER MOD Single : A 45 GLN : amide:sc= -0.4 K(o=-0.4,f=-2.9!) USER MOD Single : A 49 GLN : amide:sc= -0.0571 K(o=-0.057,f=-0.57) USER MOD Single : A 52 TYR OH : rot 180:sc= -0.003 USER MOD Single : A 54 TYR OH : rot -125:sc= -0.0663 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HE2:sc= -10.3! C(o=-10!,f=-13!) USER MOD Single : A 74 THR OG1 : rot -114:sc= 0.872 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0222) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 GLN : amide:sc= -0.0107 X(o=-0.011,f=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 90 SER OG : rot -150:sc= -0.744 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= -1.08 K(o=-1.1,f=0.33) USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN : amide:sc= 0 X(o=0,f=-0.0082) USER MOD Single : A 105 ASN : amide:sc= -0.0151 X(o=-0.015,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.103 -11.412 -30.656 1.00 0.00 N ATOM 2 CA GLY A 1 1.019 -12.858 -30.314 1.00 0.00 C ATOM 3 C GLY A 1 -0.274 -13.213 -29.602 1.00 0.00 C ATOM 4 O GLY A 1 -1.225 -13.673 -30.232 1.00 0.00 O ATOM 0 H1 GLY A 1 2.096 -11.151 -30.820 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.549 -11.226 -31.517 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.722 -10.847 -29.871 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.102 -13.449 -31.226 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.864 -13.128 -29.681 1.00 0.00 H new ATOM 10 N PRO A 2 -0.338 -13.007 -28.275 1.00 0.00 N ATOM 11 CA PRO A 2 -1.537 -13.313 -27.487 1.00 0.00 C ATOM 12 C PRO A 2 -2.675 -12.333 -27.759 1.00 0.00 C ATOM 13 O PRO A 2 -3.112 -11.608 -26.866 1.00 0.00 O ATOM 14 CB PRO A 2 -1.051 -13.184 -26.042 1.00 0.00 C ATOM 15 CG PRO A 2 0.087 -12.226 -26.110 1.00 0.00 C ATOM 16 CD PRO A 2 0.749 -12.462 -27.440 1.00 0.00 C ATOM 0 HA PRO A 2 -1.946 -14.294 -27.727 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -1.842 -12.814 -25.390 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -0.734 -14.148 -25.643 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -0.263 -11.197 -26.026 1.00 0.00 H new ATOM 0 HG3 PRO A 2 0.787 -12.393 -25.291 1.00 0.00 H new ATOM 0 HD2 PRO A 2 1.151 -11.539 -27.857 1.00 0.00 H new ATOM 0 HD3 PRO A 2 1.580 -13.162 -27.356 1.00 0.00 H new ATOM 24 N GLY A 3 -3.150 -12.319 -29.000 1.00 0.00 N ATOM 25 CA GLY A 3 -4.233 -11.425 -29.367 1.00 0.00 C ATOM 26 C GLY A 3 -3.742 -10.041 -29.742 1.00 0.00 C ATOM 27 O GLY A 3 -2.590 -9.692 -29.482 1.00 0.00 O ATOM 0 H GLY A 3 -2.805 -12.909 -29.757 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -4.783 -11.851 -30.206 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -4.932 -11.346 -28.535 1.00 0.00 H new ATOM 31 N SER A 4 -4.617 -9.252 -30.356 1.00 0.00 N ATOM 32 CA SER A 4 -4.268 -7.898 -30.768 1.00 0.00 C ATOM 33 C SER A 4 -5.474 -7.183 -31.369 1.00 0.00 C ATOM 34 O SER A 4 -5.724 -6.013 -31.081 1.00 0.00 O ATOM 35 CB SER A 4 -3.122 -7.929 -31.781 1.00 0.00 C ATOM 36 OG SER A 4 -3.305 -8.968 -32.727 1.00 0.00 O ATOM 0 H SER A 4 -5.573 -9.527 -30.579 1.00 0.00 H new ATOM 0 HA SER A 4 -3.947 -7.348 -29.883 1.00 0.00 H new ATOM 0 HB2 SER A 4 -3.062 -6.970 -32.296 1.00 0.00 H new ATOM 0 HB3 SER A 4 -2.175 -8.070 -31.260 1.00 0.00 H new ATOM 0 HG SER A 4 -2.560 -8.965 -33.364 1.00 0.00 H new ATOM 42 N LEU A 5 -6.218 -7.897 -32.208 1.00 0.00 N ATOM 43 CA LEU A 5 -7.400 -7.334 -32.849 1.00 0.00 C ATOM 44 C LEU A 5 -8.543 -8.343 -32.860 1.00 0.00 C ATOM 45 O LEU A 5 -9.676 -8.016 -32.506 1.00 0.00 O ATOM 46 CB LEU A 5 -7.072 -6.902 -34.281 1.00 0.00 C ATOM 47 CG LEU A 5 -7.869 -5.701 -34.793 1.00 0.00 C ATOM 48 CD1 LEU A 5 -7.101 -4.979 -35.889 1.00 0.00 C ATOM 49 CD2 LEU A 5 -9.233 -6.145 -35.299 1.00 0.00 C ATOM 0 H LEU A 5 -6.023 -8.866 -32.459 1.00 0.00 H new ATOM 0 HA LEU A 5 -7.714 -6.461 -32.276 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -6.010 -6.665 -34.339 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -7.247 -7.746 -34.948 1.00 0.00 H new ATOM 0 HG LEU A 5 -8.018 -5.007 -33.965 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -7.683 -4.128 -36.241 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -6.147 -4.628 -35.494 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -6.921 -5.663 -36.718 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -9.787 -5.278 -35.660 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -9.105 -6.858 -36.113 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -9.786 -6.617 -34.487 1.00 0.00 H new ATOM 61 N SER A 6 -8.238 -9.571 -33.268 1.00 0.00 N ATOM 62 CA SER A 6 -9.239 -10.629 -33.322 1.00 0.00 C ATOM 63 C SER A 6 -9.385 -11.310 -31.965 1.00 0.00 C ATOM 64 O SER A 6 -8.395 -11.698 -31.345 1.00 0.00 O ATOM 65 CB SER A 6 -8.863 -11.662 -34.387 1.00 0.00 C ATOM 66 OG SER A 6 -7.802 -12.488 -33.943 1.00 0.00 O ATOM 0 H SER A 6 -7.305 -9.857 -33.566 1.00 0.00 H new ATOM 0 HA SER A 6 -10.195 -10.177 -33.586 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.731 -12.276 -34.625 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.572 -11.153 -35.306 1.00 0.00 H new ATOM 0 HG SER A 6 -7.771 -12.482 -32.964 1.00 0.00 H new ATOM 72 N ASN A 7 -10.626 -11.450 -31.507 1.00 0.00 N ATOM 73 CA ASN A 7 -10.898 -12.083 -30.223 1.00 0.00 C ATOM 74 C ASN A 7 -10.227 -11.316 -29.087 1.00 0.00 C ATOM 75 O ASN A 7 -9.348 -10.487 -29.320 1.00 0.00 O ATOM 76 CB ASN A 7 -10.413 -13.535 -30.233 1.00 0.00 C ATOM 77 CG ASN A 7 -11.545 -14.520 -30.455 1.00 0.00 C ATOM 78 OD1 ASN A 7 -12.707 -14.131 -30.568 1.00 0.00 O ATOM 79 ND2 ASN A 7 -11.208 -15.803 -30.520 1.00 0.00 N ATOM 0 H ASN A 7 -11.457 -11.134 -32.006 1.00 0.00 H new ATOM 0 HA ASN A 7 -11.976 -12.070 -30.059 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -9.666 -13.661 -31.017 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -9.921 -13.758 -29.286 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -11.926 -16.512 -30.669 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -10.231 -16.079 -30.421 1.00 0.00 H new ATOM 86 N PHE A 8 -10.647 -11.599 -27.858 1.00 0.00 N ATOM 87 CA PHE A 8 -10.086 -10.935 -26.689 1.00 0.00 C ATOM 88 C PHE A 8 -9.802 -11.941 -25.577 1.00 0.00 C ATOM 89 O PHE A 8 -10.686 -12.276 -24.788 1.00 0.00 O ATOM 90 CB PHE A 8 -11.041 -9.852 -26.184 1.00 0.00 C ATOM 91 CG PHE A 8 -10.373 -8.528 -25.941 1.00 0.00 C ATOM 92 CD1 PHE A 8 -10.188 -7.631 -26.979 1.00 0.00 C ATOM 93 CD2 PHE A 8 -9.930 -8.184 -24.675 1.00 0.00 C ATOM 94 CE1 PHE A 8 -9.572 -6.412 -26.760 1.00 0.00 C ATOM 95 CE2 PHE A 8 -9.313 -6.967 -24.448 1.00 0.00 C ATOM 96 CZ PHE A 8 -9.135 -6.081 -25.492 1.00 0.00 C ATOM 0 H PHE A 8 -11.373 -12.283 -27.647 1.00 0.00 H new ATOM 0 HA PHE A 8 -9.145 -10.470 -26.982 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -11.842 -9.718 -26.911 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -11.505 -10.191 -25.258 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -10.529 -7.886 -27.972 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -10.068 -8.874 -23.855 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -9.433 -5.721 -27.578 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -8.971 -6.710 -23.456 1.00 0.00 H new ATOM 0 HZ PHE A 8 -8.654 -5.130 -25.317 1.00 0.00 H new ATOM 106 N ALA A 9 -8.564 -12.419 -25.519 1.00 0.00 N ATOM 107 CA ALA A 9 -8.162 -13.385 -24.506 1.00 0.00 C ATOM 108 C ALA A 9 -7.391 -12.709 -23.378 1.00 0.00 C ATOM 109 O ALA A 9 -6.164 -12.796 -23.312 1.00 0.00 O ATOM 110 CB ALA A 9 -7.323 -14.489 -25.132 1.00 0.00 C ATOM 0 H ALA A 9 -7.820 -12.152 -26.164 1.00 0.00 H new ATOM 0 HA ALA A 9 -9.064 -13.825 -24.082 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -7.030 -15.204 -24.363 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -7.907 -14.999 -25.898 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -6.431 -14.056 -25.584 1.00 0.00 H new ATOM 116 N ASN A 10 -8.118 -12.033 -22.493 1.00 0.00 N ATOM 117 CA ASN A 10 -7.501 -11.341 -21.367 1.00 0.00 C ATOM 118 C ASN A 10 -8.494 -11.166 -20.222 1.00 0.00 C ATOM 119 O ASN A 10 -8.164 -11.402 -19.060 1.00 0.00 O ATOM 120 CB ASN A 10 -6.970 -9.976 -21.812 1.00 0.00 C ATOM 121 CG ASN A 10 -5.639 -9.636 -21.166 1.00 0.00 C ATOM 122 OD1 ASN A 10 -5.378 -10.009 -20.023 1.00 0.00 O ATOM 123 ND2 ASN A 10 -4.793 -8.924 -21.899 1.00 0.00 N ATOM 0 H ASN A 10 -9.134 -11.950 -22.534 1.00 0.00 H new ATOM 0 HA ASN A 10 -6.670 -11.949 -21.010 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -6.857 -9.969 -22.896 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -7.700 -9.206 -21.562 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -3.883 -8.664 -21.519 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -5.053 -8.637 -22.843 1.00 0.00 H new ATOM 130 N VAL A 11 -9.711 -10.749 -20.558 1.00 0.00 N ATOM 131 CA VAL A 11 -10.752 -10.542 -19.556 1.00 0.00 C ATOM 132 C VAL A 11 -10.982 -11.805 -18.731 1.00 0.00 C ATOM 133 O VAL A 11 -11.004 -12.914 -19.266 1.00 0.00 O ATOM 134 CB VAL A 11 -12.082 -10.114 -20.208 1.00 0.00 C ATOM 135 CG1 VAL A 11 -12.590 -11.194 -21.154 1.00 0.00 C ATOM 136 CG2 VAL A 11 -13.123 -9.793 -19.145 1.00 0.00 C ATOM 0 H VAL A 11 -10.001 -10.548 -21.515 1.00 0.00 H new ATOM 0 HA VAL A 11 -10.406 -9.744 -18.900 1.00 0.00 H new ATOM 0 HB VAL A 11 -11.902 -9.210 -20.790 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -13.529 -10.872 -21.603 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -11.853 -11.367 -21.938 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -12.752 -12.118 -20.598 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -14.054 -9.493 -19.626 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -13.300 -10.676 -18.531 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -12.762 -8.980 -18.516 1.00 0.00 H new ATOM 146 N GLY A 12 -11.151 -11.628 -17.424 1.00 0.00 N ATOM 147 CA GLY A 12 -11.375 -12.761 -16.545 1.00 0.00 C ATOM 148 C GLY A 12 -10.268 -12.931 -15.524 1.00 0.00 C ATOM 149 O GLY A 12 -10.522 -13.306 -14.380 1.00 0.00 O ATOM 0 H GLY A 12 -11.137 -10.721 -16.958 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -12.326 -12.633 -16.027 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -11.457 -13.669 -17.142 1.00 0.00 H new ATOM 153 N VAL A 13 -9.033 -12.652 -15.942 1.00 0.00 N ATOM 154 CA VAL A 13 -7.866 -12.769 -15.067 1.00 0.00 C ATOM 155 C VAL A 13 -7.930 -14.027 -14.202 1.00 0.00 C ATOM 156 O VAL A 13 -8.203 -13.955 -13.003 1.00 0.00 O ATOM 157 CB VAL A 13 -7.709 -11.533 -14.156 1.00 0.00 C ATOM 158 CG1 VAL A 13 -7.209 -10.341 -14.957 1.00 0.00 C ATOM 159 CG2 VAL A 13 -9.021 -11.203 -13.458 1.00 0.00 C ATOM 0 H VAL A 13 -8.814 -12.341 -16.888 1.00 0.00 H new ATOM 0 HA VAL A 13 -6.999 -12.837 -15.724 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.970 -11.766 -13.389 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -7.104 -9.479 -14.299 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.242 -10.580 -15.399 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -7.922 -10.109 -15.748 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -8.885 -10.328 -12.822 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -9.787 -10.993 -14.204 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -9.332 -12.051 -12.847 1.00 0.00 H new ATOM 169 N GLY A 14 -7.677 -15.175 -14.818 1.00 0.00 N ATOM 170 CA GLY A 14 -7.711 -16.430 -14.091 1.00 0.00 C ATOM 171 C GLY A 14 -6.618 -16.523 -13.044 1.00 0.00 C ATOM 172 O GLY A 14 -5.507 -16.036 -13.251 1.00 0.00 O ATOM 0 H GLY A 14 -7.449 -15.260 -15.809 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -8.682 -16.541 -13.609 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -7.608 -17.257 -14.794 1.00 0.00 H new ATOM 176 N THR A 15 -6.934 -17.150 -11.915 1.00 0.00 N ATOM 177 CA THR A 15 -5.973 -17.305 -10.830 1.00 0.00 C ATOM 178 C THR A 15 -4.837 -18.236 -11.240 1.00 0.00 C ATOM 179 O THR A 15 -5.055 -19.417 -11.508 1.00 0.00 O ATOM 180 CB THR A 15 -6.665 -17.846 -9.579 1.00 0.00 C ATOM 181 OG1 THR A 15 -7.927 -17.228 -9.398 1.00 0.00 O ATOM 182 CG2 THR A 15 -5.864 -17.636 -8.313 1.00 0.00 C ATOM 0 H THR A 15 -7.849 -17.559 -11.728 1.00 0.00 H new ATOM 0 HA THR A 15 -5.553 -16.324 -10.607 1.00 0.00 H new ATOM 0 HB THR A 15 -6.771 -18.918 -9.748 1.00 0.00 H new ATOM 0 HG1 THR A 15 -8.355 -17.588 -8.594 1.00 0.00 H new ATOM 0 HG21 THR A 15 -6.413 -18.043 -7.464 1.00 0.00 H new ATOM 0 HG22 THR A 15 -4.904 -18.144 -8.402 1.00 0.00 H new ATOM 0 HG23 THR A 15 -5.698 -16.570 -8.160 1.00 0.00 H new ATOM 190 N SER A 16 -3.623 -17.696 -11.286 1.00 0.00 N ATOM 191 CA SER A 16 -2.451 -18.479 -11.663 1.00 0.00 C ATOM 192 C SER A 16 -1.260 -18.134 -10.775 1.00 0.00 C ATOM 193 O SER A 16 -1.272 -17.129 -10.064 1.00 0.00 O ATOM 194 CB SER A 16 -2.097 -18.232 -13.130 1.00 0.00 C ATOM 195 OG SER A 16 -2.509 -16.941 -13.545 1.00 0.00 O ATOM 0 H SER A 16 -3.425 -16.720 -11.067 1.00 0.00 H new ATOM 0 HA SER A 16 -2.690 -19.534 -11.528 1.00 0.00 H new ATOM 0 HB2 SER A 16 -1.021 -18.336 -13.270 1.00 0.00 H new ATOM 0 HB3 SER A 16 -2.574 -18.987 -13.754 1.00 0.00 H new ATOM 0 HG SER A 16 -2.270 -16.808 -14.486 1.00 0.00 H new ATOM 201 N SER A 17 -0.231 -18.975 -10.821 1.00 0.00 N ATOM 202 CA SER A 17 0.968 -18.761 -10.020 1.00 0.00 C ATOM 203 C SER A 17 0.637 -18.763 -8.532 1.00 0.00 C ATOM 204 O SER A 17 -0.490 -19.065 -8.138 1.00 0.00 O ATOM 205 CB SER A 17 1.634 -17.437 -10.408 1.00 0.00 C ATOM 206 OG SER A 17 3.031 -17.602 -10.582 1.00 0.00 O ATOM 0 H SER A 17 -0.204 -19.811 -11.405 1.00 0.00 H new ATOM 0 HA SER A 17 1.660 -19.580 -10.218 1.00 0.00 H new ATOM 0 HB2 SER A 17 1.191 -17.060 -11.330 1.00 0.00 H new ATOM 0 HB3 SER A 17 1.446 -16.691 -9.636 1.00 0.00 H new ATOM 0 HG SER A 17 3.433 -16.744 -10.831 1.00 0.00 H new ATOM 212 N GLY A 18 1.625 -18.424 -7.709 1.00 0.00 N ATOM 213 CA GLY A 18 1.417 -18.394 -6.275 1.00 0.00 C ATOM 214 C GLY A 18 2.214 -17.298 -5.596 1.00 0.00 C ATOM 215 O GLY A 18 3.444 -17.302 -5.631 1.00 0.00 O ATOM 0 H GLY A 18 2.565 -18.170 -8.011 1.00 0.00 H new ATOM 0 HA2 GLY A 18 0.357 -18.249 -6.068 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.696 -19.358 -5.850 1.00 0.00 H new ATOM 219 N LYS A 19 1.511 -16.356 -4.974 1.00 0.00 N ATOM 220 CA LYS A 19 2.160 -15.249 -4.283 1.00 0.00 C ATOM 221 C LYS A 19 1.141 -14.419 -3.508 1.00 0.00 C ATOM 222 O LYS A 19 -0.066 -14.620 -3.642 1.00 0.00 O ATOM 223 CB LYS A 19 2.907 -14.362 -5.285 1.00 0.00 C ATOM 224 CG LYS A 19 4.413 -14.347 -5.077 1.00 0.00 C ATOM 225 CD LYS A 19 5.140 -13.840 -6.313 1.00 0.00 C ATOM 226 CE LYS A 19 6.403 -14.643 -6.585 1.00 0.00 C ATOM 227 NZ LYS A 19 7.062 -14.228 -7.854 1.00 0.00 N ATOM 0 H LYS A 19 0.492 -16.338 -4.935 1.00 0.00 H new ATOM 0 HA LYS A 19 2.876 -15.665 -3.574 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.691 -14.708 -6.296 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.528 -13.343 -5.209 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.658 -13.714 -4.224 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.758 -15.353 -4.837 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.477 -13.899 -7.176 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.397 -12.789 -6.180 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.099 -14.516 -5.756 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.156 -15.703 -6.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.919 -14.799 -8.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.407 -14.372 -8.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.321 -13.222 -7.798 1.00 0.00 H new ATOM 241 N GLN A 20 1.634 -13.489 -2.697 1.00 0.00 N ATOM 242 CA GLN A 20 0.765 -12.630 -1.901 1.00 0.00 C ATOM 243 C GLN A 20 1.011 -11.157 -2.223 1.00 0.00 C ATOM 244 O GLN A 20 0.232 -10.534 -2.944 1.00 0.00 O ATOM 245 CB GLN A 20 0.985 -12.889 -0.409 1.00 0.00 C ATOM 246 CG GLN A 20 0.135 -12.013 0.498 1.00 0.00 C ATOM 247 CD GLN A 20 0.692 -11.916 1.905 1.00 0.00 C ATOM 248 OE1 GLN A 20 0.698 -10.845 2.510 1.00 0.00 O ATOM 249 NE2 GLN A 20 1.164 -13.040 2.434 1.00 0.00 N ATOM 0 H GLN A 20 2.631 -13.311 -2.574 1.00 0.00 H new ATOM 0 HA GLN A 20 -0.269 -12.866 -2.152 1.00 0.00 H new ATOM 0 HB2 GLN A 20 0.768 -13.936 -0.196 1.00 0.00 H new ATOM 0 HB3 GLN A 20 2.037 -12.727 -0.173 1.00 0.00 H new ATOM 0 HG2 GLN A 20 0.065 -11.013 0.069 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -0.878 -12.414 0.539 1.00 0.00 H new ATOM 0 HE21 GLN A 20 1.139 -13.906 1.896 1.00 0.00 H new ATOM 0 HE22 GLN A 20 1.551 -13.036 3.378 1.00 0.00 H new ATOM 258 N LYS A 21 2.096 -10.608 -1.684 1.00 0.00 N ATOM 259 CA LYS A 21 2.443 -9.210 -1.914 1.00 0.00 C ATOM 260 C LYS A 21 1.374 -8.281 -1.344 1.00 0.00 C ATOM 261 O LYS A 21 1.538 -7.723 -0.260 1.00 0.00 O ATOM 262 CB LYS A 21 2.629 -8.947 -3.412 1.00 0.00 C ATOM 263 CG LYS A 21 4.054 -8.584 -3.793 1.00 0.00 C ATOM 264 CD LYS A 21 4.306 -8.792 -5.278 1.00 0.00 C ATOM 265 CE LYS A 21 5.151 -7.673 -5.864 1.00 0.00 C ATOM 266 NZ LYS A 21 4.328 -6.697 -6.632 1.00 0.00 N ATOM 0 H LYS A 21 2.750 -11.111 -1.084 1.00 0.00 H new ATOM 0 HA LYS A 21 3.382 -9.005 -1.400 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.328 -9.835 -3.968 1.00 0.00 H new ATOM 0 HB3 LYS A 21 1.963 -8.139 -3.716 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.247 -7.543 -3.533 1.00 0.00 H new ATOM 0 HG3 LYS A 21 4.752 -9.191 -3.216 1.00 0.00 H new ATOM 0 HD2 LYS A 21 4.808 -9.747 -5.432 1.00 0.00 H new ATOM 0 HD3 LYS A 21 3.354 -8.844 -5.806 1.00 0.00 H new ATOM 0 HE2 LYS A 21 5.673 -7.154 -5.060 1.00 0.00 H new ATOM 0 HE3 LYS A 21 5.913 -8.098 -6.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 4.942 -5.950 -7.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 3.849 -7.187 -7.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 3.617 -6.272 -6.003 1.00 0.00 H new ATOM 280 N ARG A 22 0.277 -8.122 -2.081 1.00 0.00 N ATOM 281 CA ARG A 22 -0.817 -7.262 -1.649 1.00 0.00 C ATOM 282 C ARG A 22 -2.167 -7.885 -1.996 1.00 0.00 C ATOM 283 O ARG A 22 -2.352 -8.413 -3.093 1.00 0.00 O ATOM 284 CB ARG A 22 -0.699 -5.882 -2.300 1.00 0.00 C ATOM 285 CG ARG A 22 0.197 -4.924 -1.534 1.00 0.00 C ATOM 286 CD ARG A 22 0.973 -4.014 -2.473 1.00 0.00 C ATOM 287 NE ARG A 22 1.423 -2.794 -1.808 1.00 0.00 N ATOM 288 CZ ARG A 22 0.639 -1.740 -1.584 1.00 0.00 C ATOM 289 NH1 ARG A 22 -0.630 -1.755 -1.971 1.00 0.00 N ATOM 290 NH2 ARG A 22 1.127 -0.670 -0.974 1.00 0.00 N ATOM 0 H ARG A 22 0.124 -8.579 -2.980 1.00 0.00 H new ATOM 0 HA ARG A 22 -0.753 -7.152 -0.566 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -0.311 -5.999 -3.312 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -1.693 -5.445 -2.388 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -0.408 -4.320 -0.858 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.894 -5.491 -0.917 1.00 0.00 H new ATOM 0 HD2 ARG A 22 1.836 -4.551 -2.867 1.00 0.00 H new ATOM 0 HD3 ARG A 22 0.345 -3.752 -3.324 1.00 0.00 H new ATOM 0 HE ARG A 22 2.393 -2.746 -1.497 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -1.010 -2.576 -2.442 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -1.226 -0.946 -1.797 1.00 0.00 H new ATOM 0 HH21 ARG A 22 2.102 -0.653 -0.676 1.00 0.00 H new ATOM 0 HH22 ARG A 22 0.527 0.137 -0.802 1.00 0.00 H new ATOM 304 N TYR A 23 -3.104 -7.822 -1.056 1.00 0.00 N ATOM 305 CA TYR A 23 -4.433 -8.382 -1.267 1.00 0.00 C ATOM 306 C TYR A 23 -5.506 -7.304 -1.133 1.00 0.00 C ATOM 307 O TYR A 23 -6.030 -6.813 -2.133 1.00 0.00 O ATOM 308 CB TYR A 23 -4.697 -9.518 -0.274 1.00 0.00 C ATOM 309 CG TYR A 23 -5.063 -10.827 -0.937 1.00 0.00 C ATOM 310 CD1 TYR A 23 -4.232 -11.399 -1.893 1.00 0.00 C ATOM 311 CD2 TYR A 23 -6.237 -11.491 -0.606 1.00 0.00 C ATOM 312 CE1 TYR A 23 -4.563 -12.596 -2.500 1.00 0.00 C ATOM 313 CE2 TYR A 23 -6.575 -12.688 -1.208 1.00 0.00 C ATOM 314 CZ TYR A 23 -5.734 -13.236 -2.154 1.00 0.00 C ATOM 315 OH TYR A 23 -6.067 -14.427 -2.757 1.00 0.00 O ATOM 0 H TYR A 23 -2.968 -7.389 -0.142 1.00 0.00 H new ATOM 0 HA TYR A 23 -4.475 -8.783 -2.280 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -3.809 -9.667 0.340 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -5.503 -9.223 0.398 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -3.314 -10.901 -2.166 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -6.897 -11.064 0.135 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -3.907 -13.028 -3.242 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -7.492 -13.191 -0.939 1.00 0.00 H new ATOM 0 HH TYR A 23 -6.922 -14.747 -2.400 1.00 0.00 H new ATOM 325 N LYS A 24 -5.829 -6.939 0.105 1.00 0.00 N ATOM 326 CA LYS A 24 -6.842 -5.917 0.367 1.00 0.00 C ATOM 327 C LYS A 24 -7.182 -5.856 1.850 1.00 0.00 C ATOM 328 O LYS A 24 -8.352 -5.819 2.231 1.00 0.00 O ATOM 329 CB LYS A 24 -8.108 -6.188 -0.457 1.00 0.00 C ATOM 330 CG LYS A 24 -8.290 -5.230 -1.623 1.00 0.00 C ATOM 331 CD LYS A 24 -9.752 -4.856 -1.815 1.00 0.00 C ATOM 332 CE LYS A 24 -10.037 -3.446 -1.326 1.00 0.00 C ATOM 333 NZ LYS A 24 -11.296 -2.899 -1.904 1.00 0.00 N ATOM 0 H LYS A 24 -5.405 -7.335 0.944 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.431 -4.952 0.069 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -8.072 -7.209 -0.838 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -8.978 -6.122 0.196 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -7.703 -4.328 -1.449 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -7.908 -5.689 -2.535 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -10.013 -4.936 -2.870 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -10.383 -5.563 -1.276 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -10.108 -3.447 -0.238 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -9.204 -2.795 -1.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -11.453 -1.936 -1.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -11.220 -2.874 -2.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -12.096 -3.505 -1.630 1.00 0.00 H new ATOM 347 N PHE A 25 -6.149 -5.818 2.685 1.00 0.00 N ATOM 348 CA PHE A 25 -6.340 -5.732 4.127 1.00 0.00 C ATOM 349 C PHE A 25 -7.329 -4.619 4.449 1.00 0.00 C ATOM 350 O PHE A 25 -7.225 -3.525 3.897 1.00 0.00 O ATOM 351 CB PHE A 25 -5.006 -5.456 4.821 1.00 0.00 C ATOM 352 CG PHE A 25 -4.233 -4.323 4.208 1.00 0.00 C ATOM 353 CD1 PHE A 25 -4.590 -3.008 4.459 1.00 0.00 C ATOM 354 CD2 PHE A 25 -3.152 -4.574 3.380 1.00 0.00 C ATOM 355 CE1 PHE A 25 -3.881 -1.964 3.895 1.00 0.00 C ATOM 356 CE2 PHE A 25 -2.440 -3.535 2.813 1.00 0.00 C ATOM 357 CZ PHE A 25 -2.805 -2.228 3.071 1.00 0.00 C ATOM 0 H PHE A 25 -5.173 -5.845 2.388 1.00 0.00 H new ATOM 0 HA PHE A 25 -6.735 -6.682 4.488 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -5.192 -5.232 5.871 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -4.396 -6.359 4.791 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -5.431 -2.796 5.102 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -2.862 -5.594 3.175 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -4.168 -0.943 4.099 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -1.599 -3.744 2.169 1.00 0.00 H new ATOM 0 HZ PHE A 25 -2.250 -1.414 2.629 1.00 0.00 H new ATOM 367 N SER A 26 -8.287 -4.889 5.332 1.00 0.00 N ATOM 368 CA SER A 26 -9.268 -3.881 5.702 1.00 0.00 C ATOM 369 C SER A 26 -8.584 -2.773 6.490 1.00 0.00 C ATOM 370 O SER A 26 -8.892 -2.545 7.660 1.00 0.00 O ATOM 371 CB SER A 26 -10.393 -4.504 6.530 1.00 0.00 C ATOM 372 OG SER A 26 -10.533 -5.885 6.244 1.00 0.00 O ATOM 0 H SER A 26 -8.402 -5.789 5.799 1.00 0.00 H new ATOM 0 HA SER A 26 -9.705 -3.462 4.796 1.00 0.00 H new ATOM 0 HB2 SER A 26 -10.185 -4.369 7.591 1.00 0.00 H new ATOM 0 HB3 SER A 26 -11.331 -3.989 6.321 1.00 0.00 H new ATOM 0 HG SER A 26 -11.257 -6.260 6.787 1.00 0.00 H new ATOM 378 N ALA A 27 -7.634 -2.103 5.845 1.00 0.00 N ATOM 379 CA ALA A 27 -6.885 -1.041 6.494 1.00 0.00 C ATOM 380 C ALA A 27 -6.151 -1.583 7.715 1.00 0.00 C ATOM 381 O ALA A 27 -5.890 -0.850 8.669 1.00 0.00 O ATOM 382 CB ALA A 27 -7.813 0.098 6.891 1.00 0.00 C ATOM 0 H ALA A 27 -7.368 -2.279 4.876 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.148 -0.654 5.790 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -7.236 0.885 7.376 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -8.298 0.499 6.001 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.571 -0.274 7.581 1.00 0.00 H new ATOM 388 N SER A 28 -5.823 -2.878 7.685 1.00 0.00 N ATOM 389 CA SER A 28 -5.126 -3.507 8.803 1.00 0.00 C ATOM 390 C SER A 28 -3.819 -2.789 9.105 1.00 0.00 C ATOM 391 O SER A 28 -3.662 -2.185 10.165 1.00 0.00 O ATOM 392 CB SER A 28 -4.862 -4.987 8.508 1.00 0.00 C ATOM 393 OG SER A 28 -3.801 -5.146 7.581 1.00 0.00 O ATOM 0 H SER A 28 -6.028 -3.503 6.906 1.00 0.00 H new ATOM 0 HA SER A 28 -5.767 -3.434 9.682 1.00 0.00 H new ATOM 0 HB2 SER A 28 -4.619 -5.507 9.435 1.00 0.00 H new ATOM 0 HB3 SER A 28 -5.767 -5.448 8.111 1.00 0.00 H new ATOM 0 HG SER A 28 -3.654 -6.100 7.413 1.00 0.00 H new ATOM 399 N GLU A 29 -2.887 -2.851 8.166 1.00 0.00 N ATOM 400 CA GLU A 29 -1.595 -2.195 8.334 1.00 0.00 C ATOM 401 C GLU A 29 -1.789 -0.710 8.618 1.00 0.00 C ATOM 402 O GLU A 29 -1.191 -0.154 9.542 1.00 0.00 O ATOM 403 CB GLU A 29 -0.730 -2.384 7.086 1.00 0.00 C ATOM 404 CG GLU A 29 -1.470 -2.128 5.782 1.00 0.00 C ATOM 405 CD GLU A 29 -1.036 -0.841 5.107 1.00 0.00 C ATOM 406 OE1 GLU A 29 0.163 -0.716 4.784 1.00 0.00 O ATOM 407 OE2 GLU A 29 -1.897 0.041 4.903 1.00 0.00 O ATOM 0 H GLU A 29 -2.999 -3.347 7.282 1.00 0.00 H new ATOM 0 HA GLU A 29 -1.085 -2.652 9.182 1.00 0.00 H new ATOM 0 HB2 GLU A 29 0.127 -1.713 7.144 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -0.339 -3.401 7.077 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -1.302 -2.964 5.103 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.541 -2.087 5.979 1.00 0.00 H new ATOM 414 N ASP A 30 -2.648 -0.074 7.824 1.00 0.00 N ATOM 415 CA ASP A 30 -2.937 1.342 7.991 1.00 0.00 C ATOM 416 C ASP A 30 -3.487 1.617 9.386 1.00 0.00 C ATOM 417 O ASP A 30 -3.272 2.692 9.946 1.00 0.00 O ATOM 418 CB ASP A 30 -3.940 1.808 6.932 1.00 0.00 C ATOM 419 CG ASP A 30 -4.201 3.300 7.001 1.00 0.00 C ATOM 420 OD1 ASP A 30 -3.224 4.077 6.939 1.00 0.00 O ATOM 421 OD2 ASP A 30 -5.381 3.692 7.117 1.00 0.00 O ATOM 0 H ASP A 30 -3.154 -0.520 7.059 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.008 1.898 7.867 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -3.563 1.553 5.941 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.879 1.271 7.064 1.00 0.00 H new ATOM 426 N GLU A 31 -4.193 0.638 9.946 1.00 0.00 N ATOM 427 CA GLU A 31 -4.765 0.782 11.279 1.00 0.00 C ATOM 428 C GLU A 31 -3.662 0.872 12.327 1.00 0.00 C ATOM 429 O GLU A 31 -3.778 1.609 13.308 1.00 0.00 O ATOM 430 CB GLU A 31 -5.690 -0.395 11.594 1.00 0.00 C ATOM 431 CG GLU A 31 -6.420 -0.257 12.919 1.00 0.00 C ATOM 432 CD GLU A 31 -7.385 -1.397 13.176 1.00 0.00 C ATOM 433 OE1 GLU A 31 -7.072 -2.541 12.781 1.00 0.00 O ATOM 434 OE2 GLU A 31 -8.455 -1.147 13.771 1.00 0.00 O ATOM 0 H GLU A 31 -4.381 -0.259 9.499 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.347 1.703 11.303 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -6.423 -0.495 10.793 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -5.104 -1.314 11.606 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.691 -0.214 13.728 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -6.966 0.686 12.932 1.00 0.00 H new ATOM 441 N ALA A 32 -2.590 0.121 12.110 1.00 0.00 N ATOM 442 CA ALA A 32 -1.465 0.115 13.031 1.00 0.00 C ATOM 443 C ALA A 32 -0.690 1.425 12.960 1.00 0.00 C ATOM 444 O ALA A 32 -0.191 1.915 13.974 1.00 0.00 O ATOM 445 CB ALA A 32 -0.548 -1.065 12.741 1.00 0.00 C ATOM 0 H ALA A 32 -2.478 -0.492 11.303 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.857 0.012 14.043 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.289 -1.055 13.439 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -1.105 -1.995 12.855 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -0.171 -0.991 11.721 1.00 0.00 H new ATOM 451 N ILE A 33 -0.595 1.993 11.763 1.00 0.00 N ATOM 452 CA ILE A 33 0.122 3.252 11.586 1.00 0.00 C ATOM 453 C ILE A 33 -0.673 4.409 12.160 1.00 0.00 C ATOM 454 O ILE A 33 -0.109 5.324 12.761 1.00 0.00 O ATOM 455 CB ILE A 33 0.435 3.556 10.109 1.00 0.00 C ATOM 456 CG1 ILE A 33 0.885 2.294 9.385 1.00 0.00 C ATOM 457 CG2 ILE A 33 1.504 4.634 10.012 1.00 0.00 C ATOM 458 CD1 ILE A 33 0.881 2.431 7.881 1.00 0.00 C ATOM 0 H ILE A 33 -1.000 1.608 10.910 1.00 0.00 H new ATOM 0 HA ILE A 33 1.066 3.138 12.120 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.474 3.919 9.629 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.890 2.033 9.716 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.232 1.469 9.669 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.718 4.841 8.963 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.149 5.543 10.496 1.00 0.00 H new ATOM 0 HG23 ILE A 33 2.413 4.291 10.507 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.212 1.496 7.430 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.128 2.662 7.539 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.556 3.235 7.587 1.00 0.00 H new ATOM 470 N ILE A 34 -1.988 4.369 11.979 1.00 0.00 N ATOM 471 CA ILE A 34 -2.838 5.426 12.494 1.00 0.00 C ATOM 472 C ILE A 34 -2.823 5.422 14.016 1.00 0.00 C ATOM 473 O ILE A 34 -2.865 6.474 14.653 1.00 0.00 O ATOM 474 CB ILE A 34 -4.292 5.302 11.996 1.00 0.00 C ATOM 475 CG1 ILE A 34 -4.874 3.947 12.384 1.00 0.00 C ATOM 476 CG2 ILE A 34 -4.356 5.504 10.488 1.00 0.00 C ATOM 477 CD1 ILE A 34 -6.352 3.817 12.091 1.00 0.00 C ATOM 0 H ILE A 34 -2.480 3.624 11.485 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.435 6.367 12.120 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.890 6.080 12.471 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.336 3.164 11.850 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.707 3.780 13.448 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.389 5.413 10.152 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.979 6.495 10.237 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.746 4.748 9.993 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -6.697 2.828 12.393 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -6.901 4.578 12.646 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.524 3.951 11.023 1.00 0.00 H new ATOM 489 N LYS A 35 -2.748 4.226 14.595 1.00 0.00 N ATOM 490 CA LYS A 35 -2.709 4.086 16.044 1.00 0.00 C ATOM 491 C LYS A 35 -1.392 4.630 16.586 1.00 0.00 C ATOM 492 O LYS A 35 -1.359 5.293 17.624 1.00 0.00 O ATOM 493 CB LYS A 35 -2.872 2.616 16.442 1.00 0.00 C ATOM 494 CG LYS A 35 -2.914 2.394 17.945 1.00 0.00 C ATOM 495 CD LYS A 35 -2.161 1.133 18.342 1.00 0.00 C ATOM 496 CE LYS A 35 -2.701 0.543 19.633 1.00 0.00 C ATOM 497 NZ LYS A 35 -1.881 0.940 20.811 1.00 0.00 N ATOM 0 H LYS A 35 -2.713 3.344 14.083 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.533 4.657 16.472 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.790 2.228 16.000 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.048 2.041 16.021 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.479 3.254 18.454 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.950 2.319 18.274 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.239 0.395 17.543 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.102 1.363 18.461 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -3.730 0.871 19.780 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.721 -0.544 19.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.283 0.517 21.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -0.905 0.605 20.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.882 1.976 20.901 1.00 0.00 H new ATOM 511 N GLY A 36 -0.312 4.353 15.864 1.00 0.00 N ATOM 512 CA GLY A 36 0.996 4.827 16.270 1.00 0.00 C ATOM 513 C GLY A 36 1.136 6.327 16.111 1.00 0.00 C ATOM 514 O GLY A 36 1.880 6.971 16.850 1.00 0.00 O ATOM 0 H GLY A 36 -0.320 3.807 15.002 1.00 0.00 H new ATOM 0 HA2 GLY A 36 1.172 4.556 17.311 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.762 4.327 15.677 1.00 0.00 H new ATOM 518 N LEU A 37 0.413 6.884 15.144 1.00 0.00 N ATOM 519 CA LEU A 37 0.452 8.317 14.887 1.00 0.00 C ATOM 520 C LEU A 37 -0.344 9.076 15.945 1.00 0.00 C ATOM 521 O LEU A 37 0.030 10.176 16.351 1.00 0.00 O ATOM 522 CB LEU A 37 -0.107 8.619 13.493 1.00 0.00 C ATOM 523 CG LEU A 37 0.886 9.260 12.523 1.00 0.00 C ATOM 524 CD1 LEU A 37 1.593 8.193 11.700 1.00 0.00 C ATOM 525 CD2 LEU A 37 0.179 10.254 11.616 1.00 0.00 C ATOM 0 H LEU A 37 -0.208 6.362 14.525 1.00 0.00 H new ATOM 0 HA LEU A 37 1.490 8.646 14.933 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.471 7.690 13.055 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.967 9.280 13.598 1.00 0.00 H new ATOM 0 HG LEU A 37 1.636 9.798 13.103 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.296 8.668 11.015 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.133 7.519 12.365 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.857 7.627 11.129 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.901 10.700 10.932 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.592 9.739 11.043 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.279 11.036 12.221 1.00 0.00 H new ATOM 537 N ALA A 38 -1.444 8.482 16.385 1.00 0.00 N ATOM 538 CA ALA A 38 -2.293 9.099 17.396 1.00 0.00 C ATOM 539 C ALA A 38 -1.829 8.753 18.809 1.00 0.00 C ATOM 540 O ALA A 38 -2.403 9.228 19.789 1.00 0.00 O ATOM 541 CB ALA A 38 -3.738 8.669 17.198 1.00 0.00 C ATOM 0 H ALA A 38 -1.770 7.573 16.058 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.219 10.180 17.278 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -4.364 9.136 17.959 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -4.077 8.978 16.209 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.810 7.585 17.284 1.00 0.00 H new ATOM 547 N ARG A 39 -0.798 7.917 18.916 1.00 0.00 N ATOM 548 CA ARG A 39 -0.286 7.512 20.220 1.00 0.00 C ATOM 549 C ARG A 39 1.010 8.232 20.571 1.00 0.00 C ATOM 550 O ARG A 39 1.199 8.670 21.707 1.00 0.00 O ATOM 551 CB ARG A 39 -0.068 5.999 20.256 1.00 0.00 C ATOM 552 CG ARG A 39 -1.299 5.216 20.685 1.00 0.00 C ATOM 553 CD ARG A 39 -1.639 5.468 22.145 1.00 0.00 C ATOM 554 NE ARG A 39 -3.081 5.434 22.385 1.00 0.00 N ATOM 555 CZ ARG A 39 -3.665 5.950 23.462 1.00 0.00 C ATOM 556 NH1 ARG A 39 -2.939 6.544 24.401 1.00 0.00 N ATOM 557 NH2 ARG A 39 -4.983 5.874 23.602 1.00 0.00 N ATOM 0 H ARG A 39 -0.305 7.510 18.121 1.00 0.00 H new ATOM 0 HA ARG A 39 -1.032 7.790 20.964 1.00 0.00 H new ATOM 0 HB2 ARG A 39 0.240 5.661 19.267 1.00 0.00 H new ATOM 0 HB3 ARG A 39 0.751 5.775 20.939 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.146 5.497 20.059 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -1.127 4.151 20.529 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.150 4.717 22.766 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.244 6.438 22.447 1.00 0.00 H new ATOM 0 HE ARG A 39 -3.674 4.988 21.685 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -1.926 6.607 24.299 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -3.394 6.938 25.225 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -5.547 5.420 22.883 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -5.432 6.270 24.428 1.00 0.00 H new ATOM 571 N PHE A 40 1.905 8.349 19.600 1.00 0.00 N ATOM 572 CA PHE A 40 3.185 9.011 19.824 1.00 0.00 C ATOM 573 C PHE A 40 3.695 9.675 18.551 1.00 0.00 C ATOM 574 O PHE A 40 4.005 8.998 17.570 1.00 0.00 O ATOM 575 CB PHE A 40 4.220 8.007 20.337 1.00 0.00 C ATOM 576 CG PHE A 40 4.353 6.788 19.470 1.00 0.00 C ATOM 577 CD1 PHE A 40 3.422 5.764 19.544 1.00 0.00 C ATOM 578 CD2 PHE A 40 5.411 6.665 18.583 1.00 0.00 C ATOM 579 CE1 PHE A 40 3.543 4.641 18.746 1.00 0.00 C ATOM 580 CE2 PHE A 40 5.537 5.545 17.784 1.00 0.00 C ATOM 581 CZ PHE A 40 4.602 4.531 17.866 1.00 0.00 C ATOM 0 H PHE A 40 1.770 7.996 18.653 1.00 0.00 H new ATOM 0 HA PHE A 40 3.032 9.786 20.575 1.00 0.00 H new ATOM 0 HB2 PHE A 40 5.189 8.500 20.408 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.946 7.698 21.346 1.00 0.00 H new ATOM 0 HD1 PHE A 40 2.593 5.844 20.232 1.00 0.00 H new ATOM 0 HD2 PHE A 40 6.145 7.454 18.516 1.00 0.00 H new ATOM 0 HE1 PHE A 40 2.810 3.851 18.811 1.00 0.00 H new ATOM 0 HE2 PHE A 40 6.365 5.462 17.096 1.00 0.00 H new ATOM 0 HZ PHE A 40 4.699 3.654 17.243 1.00 0.00 H new ATOM 591 N THR A 41 3.785 11.000 18.576 1.00 0.00 N ATOM 592 CA THR A 41 4.258 11.756 17.424 1.00 0.00 C ATOM 593 C THR A 41 4.782 13.126 17.846 1.00 0.00 C ATOM 594 O THR A 41 4.044 14.111 17.837 1.00 0.00 O ATOM 595 CB THR A 41 3.136 11.917 16.399 1.00 0.00 C ATOM 596 OG1 THR A 41 2.027 12.587 16.972 1.00 0.00 O ATOM 597 CG2 THR A 41 2.642 10.600 15.845 1.00 0.00 C ATOM 0 H THR A 41 3.536 11.573 19.383 1.00 0.00 H new ATOM 0 HA THR A 41 5.079 11.201 16.969 1.00 0.00 H new ATOM 0 HB THR A 41 3.568 12.497 15.583 1.00 0.00 H new ATOM 0 HG1 THR A 41 2.342 13.353 17.496 1.00 0.00 H new ATOM 0 HG21 THR A 41 1.846 10.784 15.123 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.465 10.081 15.353 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.258 9.984 16.658 1.00 0.00 H new ATOM 605 N LYS A 42 6.058 13.179 18.209 1.00 0.00 N ATOM 606 CA LYS A 42 6.681 14.428 18.633 1.00 0.00 C ATOM 607 C LYS A 42 7.740 14.872 17.629 1.00 0.00 C ATOM 608 O LYS A 42 8.729 15.510 17.994 1.00 0.00 O ATOM 609 CB LYS A 42 7.313 14.264 20.018 1.00 0.00 C ATOM 610 CG LYS A 42 6.389 13.611 21.032 1.00 0.00 C ATOM 611 CD LYS A 42 7.154 13.135 22.256 1.00 0.00 C ATOM 612 CE LYS A 42 7.824 11.793 22.007 1.00 0.00 C ATOM 613 NZ LYS A 42 6.933 10.655 22.367 1.00 0.00 N ATOM 0 H LYS A 42 6.682 12.372 18.218 1.00 0.00 H new ATOM 0 HA LYS A 42 5.907 15.194 18.684 1.00 0.00 H new ATOM 0 HB2 LYS A 42 8.220 13.666 19.926 1.00 0.00 H new ATOM 0 HB3 LYS A 42 7.613 15.244 20.390 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.620 14.321 21.336 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.878 12.766 20.570 1.00 0.00 H new ATOM 0 HD2 LYS A 42 7.908 13.875 22.526 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.472 13.051 23.103 1.00 0.00 H new ATOM 0 HE2 LYS A 42 8.105 11.716 20.957 1.00 0.00 H new ATOM 0 HE3 LYS A 42 8.744 11.733 22.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 7.425 9.757 22.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 6.685 10.714 23.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 6.066 10.698 21.794 1.00 0.00 H new ATOM 627 N GLY A 43 7.526 14.531 16.361 1.00 0.00 N ATOM 628 CA GLY A 43 8.471 14.904 15.324 1.00 0.00 C ATOM 629 C GLY A 43 7.902 14.723 13.930 1.00 0.00 C ATOM 630 O GLY A 43 6.699 14.516 13.765 1.00 0.00 O ATOM 0 H GLY A 43 6.716 14.004 16.034 1.00 0.00 H new ATOM 0 HA2 GLY A 43 8.765 15.945 15.461 1.00 0.00 H new ATOM 0 HA3 GLY A 43 9.374 14.302 15.426 1.00 0.00 H new ATOM 634 N GLN A 44 8.768 14.802 12.925 1.00 0.00 N ATOM 635 CA GLN A 44 8.347 14.646 11.538 1.00 0.00 C ATOM 636 C GLN A 44 8.982 13.409 10.912 1.00 0.00 C ATOM 637 O GLN A 44 9.301 13.397 9.722 1.00 0.00 O ATOM 638 CB GLN A 44 8.719 15.890 10.729 1.00 0.00 C ATOM 639 CG GLN A 44 7.668 16.284 9.702 1.00 0.00 C ATOM 640 CD GLN A 44 8.022 15.831 8.301 1.00 0.00 C ATOM 641 OE1 GLN A 44 7.370 14.951 7.738 1.00 0.00 O ATOM 642 NE2 GLN A 44 9.061 16.429 7.728 1.00 0.00 N ATOM 0 H GLN A 44 9.766 14.973 13.046 1.00 0.00 H new ATOM 0 HA GLN A 44 7.264 14.522 11.524 1.00 0.00 H new ATOM 0 HB2 GLN A 44 8.878 16.724 11.413 1.00 0.00 H new ATOM 0 HB3 GLN A 44 9.665 15.712 10.218 1.00 0.00 H new ATOM 0 HG2 GLN A 44 6.708 15.854 9.987 1.00 0.00 H new ATOM 0 HG3 GLN A 44 7.547 17.367 9.710 1.00 0.00 H new ATOM 0 HE21 GLN A 44 9.573 17.154 8.231 1.00 0.00 H new ATOM 0 HE22 GLN A 44 9.346 16.163 6.785 1.00 0.00 H new ATOM 651 N GLN A 45 9.164 12.368 11.720 1.00 0.00 N ATOM 652 CA GLN A 45 9.762 11.126 11.241 1.00 0.00 C ATOM 653 C GLN A 45 9.303 9.940 12.082 1.00 0.00 C ATOM 654 O GLN A 45 10.034 8.962 12.242 1.00 0.00 O ATOM 655 CB GLN A 45 11.288 11.227 11.272 1.00 0.00 C ATOM 656 CG GLN A 45 11.866 12.068 10.146 1.00 0.00 C ATOM 657 CD GLN A 45 12.259 13.460 10.598 1.00 0.00 C ATOM 658 OE1 GLN A 45 12.401 13.720 11.794 1.00 0.00 O ATOM 659 NE2 GLN A 45 12.437 14.366 9.644 1.00 0.00 N ATOM 0 H GLN A 45 8.907 12.360 12.707 1.00 0.00 H new ATOM 0 HA GLN A 45 9.435 10.967 10.214 1.00 0.00 H new ATOM 0 HB2 GLN A 45 11.596 11.653 12.227 1.00 0.00 H new ATOM 0 HB3 GLN A 45 11.711 10.224 11.219 1.00 0.00 H new ATOM 0 HG2 GLN A 45 12.740 11.564 9.734 1.00 0.00 H new ATOM 0 HG3 GLN A 45 11.134 12.145 9.342 1.00 0.00 H new ATOM 0 HE21 GLN A 45 12.309 14.108 8.665 1.00 0.00 H new ATOM 0 HE22 GLN A 45 12.702 15.320 9.890 1.00 0.00 H new ATOM 668 N ARG A 46 8.090 10.030 12.618 1.00 0.00 N ATOM 669 CA ARG A 46 7.538 8.960 13.440 1.00 0.00 C ATOM 670 C ARG A 46 6.902 7.877 12.574 1.00 0.00 C ATOM 671 O ARG A 46 6.785 6.725 12.990 1.00 0.00 O ATOM 672 CB ARG A 46 6.505 9.523 14.418 1.00 0.00 C ATOM 673 CG ARG A 46 7.092 10.497 15.427 1.00 0.00 C ATOM 674 CD ARG A 46 7.309 9.838 16.782 1.00 0.00 C ATOM 675 NE ARG A 46 8.724 9.781 17.142 1.00 0.00 N ATOM 676 CZ ARG A 46 9.165 9.597 18.384 1.00 0.00 C ATOM 677 NH1 ARG A 46 8.307 9.449 19.386 1.00 0.00 N ATOM 678 NH2 ARG A 46 10.469 9.559 18.626 1.00 0.00 N ATOM 0 H ARG A 46 7.471 10.832 12.498 1.00 0.00 H new ATOM 0 HA ARG A 46 8.355 8.511 14.004 1.00 0.00 H new ATOM 0 HB2 ARG A 46 5.719 10.026 13.854 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.035 8.698 14.953 1.00 0.00 H new ATOM 0 HG2 ARG A 46 8.041 10.882 15.053 1.00 0.00 H new ATOM 0 HG3 ARG A 46 6.424 11.351 15.540 1.00 0.00 H new ATOM 0 HD2 ARG A 46 6.762 10.391 17.546 1.00 0.00 H new ATOM 0 HD3 ARG A 46 6.898 8.828 16.764 1.00 0.00 H new ATOM 0 HE ARG A 46 9.414 9.888 16.398 1.00 0.00 H new ATOM 0 HH11 ARG A 46 7.303 9.476 19.206 1.00 0.00 H new ATOM 0 HH12 ARG A 46 8.651 9.308 20.336 1.00 0.00 H new ATOM 0 HH21 ARG A 46 11.133 9.671 17.860 1.00 0.00 H new ATOM 0 HH22 ARG A 46 10.807 9.418 19.578 1.00 0.00 H new ATOM 692 N PHE A 47 6.490 8.254 11.364 1.00 0.00 N ATOM 693 CA PHE A 47 5.867 7.313 10.438 1.00 0.00 C ATOM 694 C PHE A 47 6.739 6.075 10.246 1.00 0.00 C ATOM 695 O PHE A 47 6.249 4.945 10.283 1.00 0.00 O ATOM 696 CB PHE A 47 5.620 7.984 9.085 1.00 0.00 C ATOM 697 CG PHE A 47 4.892 9.294 9.183 1.00 0.00 C ATOM 698 CD1 PHE A 47 3.507 9.332 9.210 1.00 0.00 C ATOM 699 CD2 PHE A 47 5.594 10.487 9.248 1.00 0.00 C ATOM 700 CE1 PHE A 47 2.835 10.537 9.299 1.00 0.00 C ATOM 701 CE2 PHE A 47 4.927 11.696 9.337 1.00 0.00 C ATOM 702 CZ PHE A 47 3.547 11.720 9.362 1.00 0.00 C ATOM 0 H PHE A 47 6.577 9.204 11.004 1.00 0.00 H new ATOM 0 HA PHE A 47 4.914 7.003 10.866 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.578 8.147 8.590 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.046 7.306 8.453 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.946 8.410 9.161 1.00 0.00 H new ATOM 0 HD2 PHE A 47 6.674 10.473 9.229 1.00 0.00 H new ATOM 0 HE1 PHE A 47 1.755 10.554 9.319 1.00 0.00 H new ATOM 0 HE2 PHE A 47 5.485 12.619 9.387 1.00 0.00 H new ATOM 0 HZ PHE A 47 3.024 12.662 9.431 1.00 0.00 H new ATOM 712 N GLN A 48 8.032 6.296 10.039 1.00 0.00 N ATOM 713 CA GLN A 48 8.973 5.200 9.837 1.00 0.00 C ATOM 714 C GLN A 48 9.053 4.318 11.080 1.00 0.00 C ATOM 715 O GLN A 48 9.029 3.089 10.985 1.00 0.00 O ATOM 716 CB GLN A 48 10.364 5.744 9.497 1.00 0.00 C ATOM 717 CG GLN A 48 10.343 6.925 8.538 1.00 0.00 C ATOM 718 CD GLN A 48 11.714 7.240 7.972 1.00 0.00 C ATOM 719 OE1 GLN A 48 12.599 6.384 7.946 1.00 0.00 O ATOM 720 NE2 GLN A 48 11.897 8.473 7.514 1.00 0.00 N ATOM 0 H GLN A 48 8.453 7.224 10.007 1.00 0.00 H new ATOM 0 HA GLN A 48 8.613 4.597 9.003 1.00 0.00 H new ATOM 0 HB2 GLN A 48 10.862 6.045 10.419 1.00 0.00 H new ATOM 0 HB3 GLN A 48 10.960 4.943 9.060 1.00 0.00 H new ATOM 0 HG2 GLN A 48 9.656 6.711 7.719 1.00 0.00 H new ATOM 0 HG3 GLN A 48 9.957 7.803 9.057 1.00 0.00 H new ATOM 0 HE21 GLN A 48 11.136 9.151 7.555 1.00 0.00 H new ATOM 0 HE22 GLN A 48 12.799 8.742 7.121 1.00 0.00 H new ATOM 729 N GLN A 49 9.147 4.953 12.245 1.00 0.00 N ATOM 730 CA GLN A 49 9.231 4.225 13.506 1.00 0.00 C ATOM 731 C GLN A 49 8.024 3.311 13.683 1.00 0.00 C ATOM 732 O GLN A 49 8.166 2.136 14.021 1.00 0.00 O ATOM 733 CB GLN A 49 9.322 5.205 14.680 1.00 0.00 C ATOM 734 CG GLN A 49 10.748 5.515 15.104 1.00 0.00 C ATOM 735 CD GLN A 49 10.845 5.928 16.560 1.00 0.00 C ATOM 736 OE1 GLN A 49 10.251 5.299 17.437 1.00 0.00 O ATOM 737 NE2 GLN A 49 11.596 6.990 16.827 1.00 0.00 N ATOM 0 H GLN A 49 9.167 5.968 12.341 1.00 0.00 H new ATOM 0 HA GLN A 49 10.131 3.611 13.486 1.00 0.00 H new ATOM 0 HB2 GLN A 49 8.823 6.135 14.406 1.00 0.00 H new ATOM 0 HB3 GLN A 49 8.781 4.791 15.531 1.00 0.00 H new ATOM 0 HG2 GLN A 49 11.372 4.637 14.936 1.00 0.00 H new ATOM 0 HG3 GLN A 49 11.145 6.313 14.476 1.00 0.00 H new ATOM 0 HE21 GLN A 49 12.071 7.482 16.070 1.00 0.00 H new ATOM 0 HE22 GLN A 49 11.698 7.314 17.789 1.00 0.00 H new ATOM 746 N ILE A 50 6.836 3.858 13.448 1.00 0.00 N ATOM 747 CA ILE A 50 5.607 3.089 13.576 1.00 0.00 C ATOM 748 C ILE A 50 5.628 1.880 12.646 1.00 0.00 C ATOM 749 O ILE A 50 5.169 0.798 13.009 1.00 0.00 O ATOM 750 CB ILE A 50 4.366 3.946 13.259 1.00 0.00 C ATOM 751 CG1 ILE A 50 4.324 5.181 14.161 1.00 0.00 C ATOM 752 CG2 ILE A 50 3.095 3.126 13.424 1.00 0.00 C ATOM 753 CD1 ILE A 50 3.399 6.264 13.653 1.00 0.00 C ATOM 0 H ILE A 50 6.700 4.829 13.168 1.00 0.00 H new ATOM 0 HA ILE A 50 5.546 2.754 14.612 1.00 0.00 H new ATOM 0 HB ILE A 50 4.432 4.276 12.222 1.00 0.00 H new ATOM 0 HG12 ILE A 50 4.007 4.882 15.160 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.331 5.588 14.255 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.229 3.747 13.196 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.120 2.275 12.743 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.024 2.767 14.451 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.417 7.110 14.340 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.728 6.590 12.666 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.384 5.873 13.586 1.00 0.00 H new ATOM 765 N TYR A 51 6.164 2.077 11.447 1.00 0.00 N ATOM 766 CA TYR A 51 6.247 1.003 10.467 1.00 0.00 C ATOM 767 C TYR A 51 7.049 -0.170 11.017 1.00 0.00 C ATOM 768 O TYR A 51 6.656 -1.328 10.876 1.00 0.00 O ATOM 769 CB TYR A 51 6.882 1.505 9.170 1.00 0.00 C ATOM 770 CG TYR A 51 7.016 0.433 8.110 1.00 0.00 C ATOM 771 CD1 TYR A 51 5.891 -0.168 7.554 1.00 0.00 C ATOM 772 CD2 TYR A 51 8.267 0.018 7.670 1.00 0.00 C ATOM 773 CE1 TYR A 51 6.012 -1.150 6.591 1.00 0.00 C ATOM 774 CE2 TYR A 51 8.393 -0.963 6.706 1.00 0.00 C ATOM 775 CZ TYR A 51 7.263 -1.544 6.169 1.00 0.00 C ATOM 776 OH TYR A 51 7.387 -2.522 5.210 1.00 0.00 O ATOM 0 H TYR A 51 6.546 2.968 11.132 1.00 0.00 H new ATOM 0 HA TYR A 51 5.233 0.664 10.254 1.00 0.00 H new ATOM 0 HB2 TYR A 51 6.281 2.324 8.774 1.00 0.00 H new ATOM 0 HB3 TYR A 51 7.869 1.912 9.391 1.00 0.00 H new ATOM 0 HD1 TYR A 51 4.908 0.138 7.881 1.00 0.00 H new ATOM 0 HD2 TYR A 51 9.154 0.470 8.088 1.00 0.00 H new ATOM 0 HE1 TYR A 51 5.129 -1.608 6.170 1.00 0.00 H new ATOM 0 HE2 TYR A 51 9.372 -1.274 6.374 1.00 0.00 H new ATOM 0 HH TYR A 51 8.185 -3.061 5.394 1.00 0.00 H new ATOM 786 N TYR A 52 8.176 0.142 11.641 1.00 0.00 N ATOM 787 CA TYR A 52 9.039 -0.883 12.213 1.00 0.00 C ATOM 788 C TYR A 52 8.374 -1.557 13.406 1.00 0.00 C ATOM 789 O TYR A 52 8.640 -2.722 13.698 1.00 0.00 O ATOM 790 CB TYR A 52 10.379 -0.278 12.632 1.00 0.00 C ATOM 791 CG TYR A 52 11.377 -0.168 11.501 1.00 0.00 C ATOM 792 CD1 TYR A 52 12.047 -1.291 11.030 1.00 0.00 C ATOM 793 CD2 TYR A 52 11.646 1.056 10.903 1.00 0.00 C ATOM 794 CE1 TYR A 52 12.959 -1.195 9.995 1.00 0.00 C ATOM 795 CE2 TYR A 52 12.557 1.159 9.869 1.00 0.00 C ATOM 796 CZ TYR A 52 13.209 0.032 9.419 1.00 0.00 C ATOM 797 OH TYR A 52 14.116 0.131 8.388 1.00 0.00 O ATOM 0 H TYR A 52 8.515 1.096 11.764 1.00 0.00 H new ATOM 0 HA TYR A 52 9.215 -1.639 11.448 1.00 0.00 H new ATOM 0 HB2 TYR A 52 10.205 0.714 13.049 1.00 0.00 H new ATOM 0 HB3 TYR A 52 10.810 -0.887 13.427 1.00 0.00 H new ATOM 0 HD1 TYR A 52 11.852 -2.254 11.479 1.00 0.00 H new ATOM 0 HD2 TYR A 52 11.135 1.941 11.251 1.00 0.00 H new ATOM 0 HE1 TYR A 52 13.472 -2.076 9.640 1.00 0.00 H new ATOM 0 HE2 TYR A 52 12.757 2.119 9.416 1.00 0.00 H new ATOM 0 HH TYR A 52 14.176 1.064 8.093 1.00 0.00 H new ATOM 807 N ALA A 53 7.505 -0.826 14.095 1.00 0.00 N ATOM 808 CA ALA A 53 6.813 -1.379 15.249 1.00 0.00 C ATOM 809 C ALA A 53 5.705 -2.327 14.813 1.00 0.00 C ATOM 810 O ALA A 53 5.639 -3.473 15.259 1.00 0.00 O ATOM 811 CB ALA A 53 6.249 -0.262 16.113 1.00 0.00 C ATOM 0 H ALA A 53 7.266 0.141 13.876 1.00 0.00 H new ATOM 0 HA ALA A 53 7.532 -1.947 15.839 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.734 -0.691 16.972 1.00 0.00 H new ATOM 0 HB2 ALA A 53 7.062 0.376 16.459 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.546 0.331 15.528 1.00 0.00 H new ATOM 817 N TYR A 54 4.841 -1.842 13.932 1.00 0.00 N ATOM 818 CA TYR A 54 3.733 -2.644 13.423 1.00 0.00 C ATOM 819 C TYR A 54 4.191 -3.614 12.327 1.00 0.00 C ATOM 820 O TYR A 54 3.383 -4.365 11.782 1.00 0.00 O ATOM 821 CB TYR A 54 2.596 -1.734 12.926 1.00 0.00 C ATOM 822 CG TYR A 54 2.562 -1.506 11.427 1.00 0.00 C ATOM 823 CD1 TYR A 54 1.980 -2.438 10.576 1.00 0.00 C ATOM 824 CD2 TYR A 54 3.098 -0.354 10.868 1.00 0.00 C ATOM 825 CE1 TYR A 54 1.939 -2.232 9.211 1.00 0.00 C ATOM 826 CE2 TYR A 54 3.060 -0.139 9.503 1.00 0.00 C ATOM 827 CZ TYR A 54 2.480 -1.081 8.679 1.00 0.00 C ATOM 828 OH TYR A 54 2.440 -0.869 7.320 1.00 0.00 O ATOM 0 H TYR A 54 4.885 -0.896 13.553 1.00 0.00 H new ATOM 0 HA TYR A 54 3.352 -3.251 14.245 1.00 0.00 H new ATOM 0 HB2 TYR A 54 1.644 -2.167 13.233 1.00 0.00 H new ATOM 0 HB3 TYR A 54 2.682 -0.768 13.423 1.00 0.00 H new ATOM 0 HD1 TYR A 54 1.552 -3.339 10.989 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.552 0.386 11.510 1.00 0.00 H new ATOM 0 HE1 TYR A 54 1.486 -2.968 8.564 1.00 0.00 H new ATOM 0 HE2 TYR A 54 3.482 0.762 9.084 1.00 0.00 H new ATOM 0 HH TYR A 54 3.347 -0.703 6.988 1.00 0.00 H new ATOM 838 N ARG A 55 5.487 -3.602 12.003 1.00 0.00 N ATOM 839 CA ARG A 55 6.017 -4.486 10.966 1.00 0.00 C ATOM 840 C ARG A 55 5.639 -5.941 11.234 1.00 0.00 C ATOM 841 O ARG A 55 5.568 -6.752 10.310 1.00 0.00 O ATOM 842 CB ARG A 55 7.540 -4.351 10.873 1.00 0.00 C ATOM 843 CG ARG A 55 8.282 -4.896 12.084 1.00 0.00 C ATOM 844 CD ARG A 55 8.726 -6.335 11.871 1.00 0.00 C ATOM 845 NE ARG A 55 9.251 -6.931 13.097 1.00 0.00 N ATOM 846 CZ ARG A 55 9.464 -8.236 13.256 1.00 0.00 C ATOM 847 NH1 ARG A 55 9.198 -9.083 12.269 1.00 0.00 N ATOM 848 NH2 ARG A 55 9.944 -8.693 14.404 1.00 0.00 N ATOM 0 H ARG A 55 6.181 -2.996 12.440 1.00 0.00 H new ATOM 0 HA ARG A 55 5.574 -4.186 10.016 1.00 0.00 H new ATOM 0 HB2 ARG A 55 7.887 -4.873 9.981 1.00 0.00 H new ATOM 0 HB3 ARG A 55 7.795 -3.299 10.746 1.00 0.00 H new ATOM 0 HG2 ARG A 55 9.153 -4.273 12.288 1.00 0.00 H new ATOM 0 HG3 ARG A 55 7.637 -4.840 12.961 1.00 0.00 H new ATOM 0 HD2 ARG A 55 7.883 -6.926 11.513 1.00 0.00 H new ATOM 0 HD3 ARG A 55 9.491 -6.368 11.095 1.00 0.00 H new ATOM 0 HE ARG A 55 9.467 -6.311 13.878 1.00 0.00 H new ATOM 0 HH11 ARG A 55 8.829 -8.735 11.384 1.00 0.00 H new ATOM 0 HH12 ARG A 55 9.363 -10.082 12.396 1.00 0.00 H new ATOM 0 HH21 ARG A 55 10.150 -8.045 15.165 1.00 0.00 H new ATOM 0 HH22 ARG A 55 10.107 -9.692 14.527 1.00 0.00 H new ATOM 862 N SER A 56 5.392 -6.266 12.499 1.00 0.00 N ATOM 863 CA SER A 56 5.017 -7.623 12.878 1.00 0.00 C ATOM 864 C SER A 56 3.692 -8.026 12.231 1.00 0.00 C ATOM 865 O SER A 56 3.370 -9.211 12.145 1.00 0.00 O ATOM 866 CB SER A 56 4.913 -7.739 14.400 1.00 0.00 C ATOM 867 OG SER A 56 6.062 -8.365 14.943 1.00 0.00 O ATOM 0 H SER A 56 5.445 -5.609 13.278 1.00 0.00 H new ATOM 0 HA SER A 56 5.793 -8.300 12.521 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.795 -6.747 14.836 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.024 -8.311 14.664 1.00 0.00 H new ATOM 0 HG SER A 56 5.972 -8.426 15.917 1.00 0.00 H new ATOM 873 N VAL A 57 2.926 -7.035 11.780 1.00 0.00 N ATOM 874 CA VAL A 57 1.639 -7.293 11.146 1.00 0.00 C ATOM 875 C VAL A 57 1.789 -7.479 9.641 1.00 0.00 C ATOM 876 O VAL A 57 1.705 -8.596 9.132 1.00 0.00 O ATOM 877 CB VAL A 57 0.641 -6.147 11.412 1.00 0.00 C ATOM 878 CG1 VAL A 57 -0.684 -6.401 10.706 1.00 0.00 C ATOM 879 CG2 VAL A 57 0.430 -5.964 12.903 1.00 0.00 C ATOM 0 H VAL A 57 3.175 -6.048 11.843 1.00 0.00 H new ATOM 0 HA VAL A 57 1.253 -8.213 11.585 1.00 0.00 H new ATOM 0 HB VAL A 57 1.063 -5.227 11.008 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.369 -5.578 10.910 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.516 -6.475 9.632 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.117 -7.333 11.070 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.277 -5.152 13.073 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.034 -6.885 13.330 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.381 -5.723 13.378 1.00 0.00 H new ATOM 889 N TRP A 58 1.996 -6.374 8.931 1.00 0.00 N ATOM 890 CA TRP A 58 2.138 -6.418 7.484 1.00 0.00 C ATOM 891 C TRP A 58 3.521 -5.943 7.044 1.00 0.00 C ATOM 892 O TRP A 58 4.060 -4.979 7.588 1.00 0.00 O ATOM 893 CB TRP A 58 1.058 -5.558 6.826 1.00 0.00 C ATOM 894 CG TRP A 58 0.725 -5.985 5.432 1.00 0.00 C ATOM 895 CD1 TRP A 58 0.264 -7.207 5.037 1.00 0.00 C ATOM 896 CD2 TRP A 58 0.828 -5.192 4.245 1.00 0.00 C ATOM 897 NE1 TRP A 58 0.075 -7.224 3.675 1.00 0.00 N ATOM 898 CE2 TRP A 58 0.416 -5.996 3.167 1.00 0.00 C ATOM 899 CE3 TRP A 58 1.231 -3.878 3.991 1.00 0.00 C ATOM 900 CZ2 TRP A 58 0.394 -5.529 1.855 1.00 0.00 C ATOM 901 CZ3 TRP A 58 1.209 -3.414 2.689 1.00 0.00 C ATOM 902 CH2 TRP A 58 0.792 -4.238 1.635 1.00 0.00 C ATOM 0 H TRP A 58 2.069 -5.440 9.335 1.00 0.00 H new ATOM 0 HA TRP A 58 2.021 -7.454 7.167 1.00 0.00 H new ATOM 0 HB2 TRP A 58 0.154 -5.594 7.435 1.00 0.00 H new ATOM 0 HB3 TRP A 58 1.390 -4.520 6.810 1.00 0.00 H new ATOM 0 HD1 TRP A 58 0.075 -8.040 5.698 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -0.263 -8.019 3.132 1.00 0.00 H new ATOM 0 HE3 TRP A 58 1.554 -3.237 4.798 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 0.074 -6.163 1.041 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 1.518 -2.400 2.481 1.00 0.00 H new ATOM 0 HH2 TRP A 58 0.785 -3.846 0.629 1.00 0.00 H new ATOM 913 N HIS A 59 4.083 -6.625 6.050 1.00 0.00 N ATOM 914 CA HIS A 59 5.399 -6.277 5.523 1.00 0.00 C ATOM 915 C HIS A 59 6.441 -6.186 6.639 1.00 0.00 C ATOM 916 O HIS A 59 6.610 -5.133 7.254 1.00 0.00 O ATOM 917 CB HIS A 59 5.331 -4.949 4.766 1.00 0.00 C ATOM 918 CG HIS A 59 5.081 -5.111 3.298 1.00 0.00 C ATOM 919 ND1 HIS A 59 4.261 -4.269 2.577 1.00 0.00 N ATOM 920 CD2 HIS A 59 5.551 -6.023 2.414 1.00 0.00 C ATOM 921 CE1 HIS A 59 4.236 -4.657 1.314 1.00 0.00 C ATOM 922 NE2 HIS A 59 5.009 -5.718 1.190 1.00 0.00 N ATOM 0 H HIS A 59 3.646 -7.425 5.592 1.00 0.00 H new ATOM 0 HA HIS A 59 5.703 -7.069 4.838 1.00 0.00 H new ATOM 0 HB2 HIS A 59 4.540 -4.335 5.196 1.00 0.00 H new ATOM 0 HB3 HIS A 59 6.267 -4.409 4.910 1.00 0.00 H new ATOM 0 HD1 HIS A 59 3.753 -3.471 2.959 1.00 0.00 H new ATOM 0 HD2 HIS A 59 6.226 -6.838 2.631 1.00 0.00 H new ATOM 0 HE1 HIS A 59 3.678 -4.185 0.519 1.00 0.00 H new ATOM 931 N PRO A 60 7.153 -7.292 6.915 1.00 0.00 N ATOM 932 CA PRO A 60 8.180 -7.329 7.959 1.00 0.00 C ATOM 933 C PRO A 60 9.481 -6.665 7.518 1.00 0.00 C ATOM 934 O PRO A 60 10.252 -6.176 8.346 1.00 0.00 O ATOM 935 CB PRO A 60 8.392 -8.825 8.180 1.00 0.00 C ATOM 936 CG PRO A 60 8.090 -9.444 6.859 1.00 0.00 C ATOM 937 CD PRO A 60 7.017 -8.593 6.229 1.00 0.00 C ATOM 0 HA PRO A 60 7.877 -6.786 8.854 1.00 0.00 H new ATOM 0 HB2 PRO A 60 9.414 -9.039 8.494 1.00 0.00 H new ATOM 0 HB3 PRO A 60 7.732 -9.209 8.958 1.00 0.00 H new ATOM 0 HG2 PRO A 60 8.981 -9.475 6.231 1.00 0.00 H new ATOM 0 HG3 PRO A 60 7.750 -10.472 6.980 1.00 0.00 H new ATOM 0 HD2 PRO A 60 7.164 -8.496 5.153 1.00 0.00 H new ATOM 0 HD3 PRO A 60 6.026 -9.023 6.378 1.00 0.00 H new ATOM 945 N ALA A 61 9.721 -6.652 6.210 1.00 0.00 N ATOM 946 CA ALA A 61 10.930 -6.050 5.659 1.00 0.00 C ATOM 947 C ALA A 61 10.862 -4.527 5.712 1.00 0.00 C ATOM 948 O ALA A 61 9.989 -3.958 6.367 1.00 0.00 O ATOM 949 CB ALA A 61 11.147 -6.522 4.229 1.00 0.00 C ATOM 0 H ALA A 61 9.094 -7.052 5.512 1.00 0.00 H new ATOM 0 HA ALA A 61 11.775 -6.369 6.269 1.00 0.00 H new ATOM 0 HB1 ALA A 61 12.052 -6.066 3.829 1.00 0.00 H new ATOM 0 HB2 ALA A 61 11.251 -7.607 4.216 1.00 0.00 H new ATOM 0 HB3 ALA A 61 10.293 -6.232 3.617 1.00 0.00 H new ATOM 955 N ARG A 62 11.790 -3.874 5.019 1.00 0.00 N ATOM 956 CA ARG A 62 11.837 -2.417 4.987 1.00 0.00 C ATOM 957 C ARG A 62 11.125 -1.874 3.752 1.00 0.00 C ATOM 958 O ARG A 62 11.291 -2.394 2.648 1.00 0.00 O ATOM 959 CB ARG A 62 13.288 -1.932 5.009 1.00 0.00 C ATOM 960 CG ARG A 62 14.130 -2.582 6.097 1.00 0.00 C ATOM 961 CD ARG A 62 15.294 -3.366 5.511 1.00 0.00 C ATOM 962 NE ARG A 62 15.920 -4.240 6.501 1.00 0.00 N ATOM 963 CZ ARG A 62 15.428 -5.422 6.864 1.00 0.00 C ATOM 964 NH1 ARG A 62 14.305 -5.876 6.321 1.00 0.00 N ATOM 965 NH2 ARG A 62 16.061 -6.152 7.771 1.00 0.00 N ATOM 0 H ARG A 62 12.519 -4.331 4.472 1.00 0.00 H new ATOM 0 HA ARG A 62 11.323 -2.043 5.872 1.00 0.00 H new ATOM 0 HB2 ARG A 62 13.744 -2.132 4.040 1.00 0.00 H new ATOM 0 HB3 ARG A 62 13.299 -0.851 5.149 1.00 0.00 H new ATOM 0 HG2 ARG A 62 14.510 -1.814 6.771 1.00 0.00 H new ATOM 0 HG3 ARG A 62 13.505 -3.248 6.692 1.00 0.00 H new ATOM 0 HD2 ARG A 62 14.942 -3.964 4.671 1.00 0.00 H new ATOM 0 HD3 ARG A 62 16.037 -2.672 5.119 1.00 0.00 H new ATOM 0 HE ARG A 62 16.785 -3.925 6.940 1.00 0.00 H new ATOM 0 HH11 ARG A 62 13.815 -5.318 5.622 1.00 0.00 H new ATOM 0 HH12 ARG A 62 13.932 -6.783 6.603 1.00 0.00 H new ATOM 0 HH21 ARG A 62 16.925 -5.808 8.190 1.00 0.00 H new ATOM 0 HH22 ARG A 62 15.684 -7.058 8.050 1.00 0.00 H new ATOM 979 N THR A 63 10.333 -0.825 3.948 1.00 0.00 N ATOM 980 CA THR A 63 9.592 -0.207 2.853 1.00 0.00 C ATOM 981 C THR A 63 9.019 1.140 3.284 1.00 0.00 C ATOM 982 O THR A 63 7.873 1.466 2.978 1.00 0.00 O ATOM 983 CB THR A 63 8.462 -1.129 2.378 1.00 0.00 C ATOM 984 OG1 THR A 63 8.594 -2.425 2.941 1.00 0.00 O ATOM 985 CG2 THR A 63 8.410 -1.283 0.873 1.00 0.00 C ATOM 0 H THR A 63 10.187 -0.384 4.856 1.00 0.00 H new ATOM 0 HA THR A 63 10.283 -0.045 2.026 1.00 0.00 H new ATOM 0 HB THR A 63 7.541 -0.650 2.711 1.00 0.00 H new ATOM 0 HG1 THR A 63 7.897 -2.561 3.616 1.00 0.00 H new ATOM 0 HG21 THR A 63 7.589 -1.947 0.603 1.00 0.00 H new ATOM 0 HG22 THR A 63 8.254 -0.307 0.413 1.00 0.00 H new ATOM 0 HG23 THR A 63 9.350 -1.705 0.518 1.00 0.00 H new ATOM 993 N VAL A 64 9.827 1.922 3.996 1.00 0.00 N ATOM 994 CA VAL A 64 9.397 3.234 4.467 1.00 0.00 C ATOM 995 C VAL A 64 8.849 4.072 3.318 1.00 0.00 C ATOM 996 O VAL A 64 7.893 4.828 3.491 1.00 0.00 O ATOM 997 CB VAL A 64 10.549 3.991 5.157 1.00 0.00 C ATOM 998 CG1 VAL A 64 10.087 5.362 5.631 1.00 0.00 C ATOM 999 CG2 VAL A 64 11.097 3.177 6.318 1.00 0.00 C ATOM 0 H VAL A 64 10.780 1.670 4.258 1.00 0.00 H new ATOM 0 HA VAL A 64 8.605 3.070 5.197 1.00 0.00 H new ATOM 0 HB VAL A 64 11.348 4.137 4.430 1.00 0.00 H new ATOM 0 HG11 VAL A 64 10.916 5.878 6.115 1.00 0.00 H new ATOM 0 HG12 VAL A 64 9.745 5.946 4.777 1.00 0.00 H new ATOM 0 HG13 VAL A 64 9.269 5.245 6.341 1.00 0.00 H new ATOM 0 HG21 VAL A 64 11.910 3.725 6.795 1.00 0.00 H new ATOM 0 HG22 VAL A 64 10.304 2.999 7.044 1.00 0.00 H new ATOM 0 HG23 VAL A 64 11.471 2.222 5.948 1.00 0.00 H new ATOM 1009 N SER A 65 9.447 3.921 2.141 1.00 0.00 N ATOM 1010 CA SER A 65 8.999 4.655 0.964 1.00 0.00 C ATOM 1011 C SER A 65 7.556 4.291 0.652 1.00 0.00 C ATOM 1012 O SER A 65 6.706 5.163 0.457 1.00 0.00 O ATOM 1013 CB SER A 65 9.894 4.342 -0.237 1.00 0.00 C ATOM 1014 OG SER A 65 9.943 5.435 -1.136 1.00 0.00 O ATOM 0 H SER A 65 10.239 3.300 1.977 1.00 0.00 H new ATOM 0 HA SER A 65 9.063 5.723 1.170 1.00 0.00 H new ATOM 0 HB2 SER A 65 10.901 4.106 0.108 1.00 0.00 H new ATOM 0 HB3 SER A 65 9.518 3.459 -0.754 1.00 0.00 H new ATOM 0 HG SER A 65 10.523 5.210 -1.893 1.00 0.00 H new ATOM 1020 N GLN A 66 7.283 2.992 0.633 1.00 0.00 N ATOM 1021 CA GLN A 66 5.938 2.499 0.375 1.00 0.00 C ATOM 1022 C GLN A 66 4.981 3.025 1.436 1.00 0.00 C ATOM 1023 O GLN A 66 3.806 3.272 1.165 1.00 0.00 O ATOM 1024 CB GLN A 66 5.923 0.970 0.361 1.00 0.00 C ATOM 1025 CG GLN A 66 4.923 0.382 -0.621 1.00 0.00 C ATOM 1026 CD GLN A 66 4.873 -1.133 -0.564 1.00 0.00 C ATOM 1027 OE1 GLN A 66 5.190 -1.740 0.459 1.00 0.00 O ATOM 1028 NE2 GLN A 66 4.475 -1.752 -1.670 1.00 0.00 N ATOM 0 H GLN A 66 7.977 2.261 0.793 1.00 0.00 H new ATOM 0 HA GLN A 66 5.615 2.856 -0.603 1.00 0.00 H new ATOM 0 HB2 GLN A 66 6.920 0.607 0.113 1.00 0.00 H new ATOM 0 HB3 GLN A 66 5.692 0.608 1.363 1.00 0.00 H new ATOM 0 HG2 GLN A 66 3.932 0.783 -0.409 1.00 0.00 H new ATOM 0 HG3 GLN A 66 5.184 0.696 -1.632 1.00 0.00 H new ATOM 0 HE21 GLN A 66 4.222 -1.209 -2.495 1.00 0.00 H new ATOM 0 HE22 GLN A 66 4.423 -2.770 -1.694 1.00 0.00 H new ATOM 1037 N LEU A 67 5.502 3.197 2.648 1.00 0.00 N ATOM 1038 CA LEU A 67 4.705 3.699 3.758 1.00 0.00 C ATOM 1039 C LEU A 67 4.195 5.096 3.454 1.00 0.00 C ATOM 1040 O LEU A 67 3.002 5.372 3.558 1.00 0.00 O ATOM 1041 CB LEU A 67 5.553 3.717 5.039 1.00 0.00 C ATOM 1042 CG LEU A 67 4.785 3.836 6.360 1.00 0.00 C ATOM 1043 CD1 LEU A 67 3.710 4.907 6.279 1.00 0.00 C ATOM 1044 CD2 LEU A 67 4.180 2.497 6.748 1.00 0.00 C ATOM 0 H LEU A 67 6.474 2.995 2.884 1.00 0.00 H new ATOM 0 HA LEU A 67 3.849 3.040 3.903 1.00 0.00 H new ATOM 0 HB2 LEU A 67 6.146 2.803 5.069 1.00 0.00 H new ATOM 0 HB3 LEU A 67 6.253 4.550 4.974 1.00 0.00 H new ATOM 0 HG LEU A 67 5.493 4.134 7.133 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.183 4.967 7.231 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.171 5.870 6.058 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.003 4.654 5.489 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.639 2.601 7.688 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.493 2.169 5.968 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.974 1.760 6.866 1.00 0.00 H new ATOM 1056 N TYR A 68 5.105 5.969 3.058 1.00 0.00 N ATOM 1057 CA TYR A 68 4.744 7.334 2.720 1.00 0.00 C ATOM 1058 C TYR A 68 3.778 7.337 1.542 1.00 0.00 C ATOM 1059 O TYR A 68 2.959 8.244 1.395 1.00 0.00 O ATOM 1060 CB TYR A 68 5.996 8.148 2.388 1.00 0.00 C ATOM 1061 CG TYR A 68 6.801 8.560 3.606 1.00 0.00 C ATOM 1062 CD1 TYR A 68 6.749 7.827 4.788 1.00 0.00 C ATOM 1063 CD2 TYR A 68 7.617 9.684 3.570 1.00 0.00 C ATOM 1064 CE1 TYR A 68 7.484 8.205 5.895 1.00 0.00 C ATOM 1065 CE2 TYR A 68 8.355 10.067 4.672 1.00 0.00 C ATOM 1066 CZ TYR A 68 8.286 9.325 5.832 1.00 0.00 C ATOM 1067 OH TYR A 68 9.020 9.704 6.932 1.00 0.00 O ATOM 0 H TYR A 68 6.098 5.757 2.963 1.00 0.00 H new ATOM 0 HA TYR A 68 4.254 7.794 3.578 1.00 0.00 H new ATOM 0 HB2 TYR A 68 6.633 7.563 1.725 1.00 0.00 H new ATOM 0 HB3 TYR A 68 5.701 9.043 1.840 1.00 0.00 H new ATOM 0 HD1 TYR A 68 6.124 6.948 4.841 1.00 0.00 H new ATOM 0 HD2 TYR A 68 7.675 10.268 2.664 1.00 0.00 H new ATOM 0 HE1 TYR A 68 7.431 7.626 6.805 1.00 0.00 H new ATOM 0 HE2 TYR A 68 8.984 10.944 4.626 1.00 0.00 H new ATOM 0 HH TYR A 68 9.532 10.512 6.721 1.00 0.00 H new ATOM 1077 N ASP A 69 3.886 6.310 0.706 1.00 0.00 N ATOM 1078 CA ASP A 69 3.032 6.178 -0.463 1.00 0.00 C ATOM 1079 C ASP A 69 1.577 5.954 -0.075 1.00 0.00 C ATOM 1080 O ASP A 69 0.682 6.640 -0.573 1.00 0.00 O ATOM 1081 CB ASP A 69 3.515 5.022 -1.338 1.00 0.00 C ATOM 1082 CG ASP A 69 2.849 5.008 -2.701 1.00 0.00 C ATOM 1083 OD1 ASP A 69 1.686 4.563 -2.787 1.00 0.00 O ATOM 1084 OD2 ASP A 69 3.492 5.441 -3.680 1.00 0.00 O ATOM 0 H ASP A 69 4.561 5.554 0.820 1.00 0.00 H new ATOM 0 HA ASP A 69 3.092 7.112 -1.022 1.00 0.00 H new ATOM 0 HB2 ASP A 69 4.595 5.094 -1.466 1.00 0.00 H new ATOM 0 HB3 ASP A 69 3.316 4.078 -0.830 1.00 0.00 H new ATOM 1089 N HIS A 70 1.337 4.999 0.814 1.00 0.00 N ATOM 1090 CA HIS A 70 -0.026 4.717 1.243 1.00 0.00 C ATOM 1091 C HIS A 70 -0.490 5.722 2.288 1.00 0.00 C ATOM 1092 O HIS A 70 -1.687 5.883 2.515 1.00 0.00 O ATOM 1093 CB HIS A 70 -0.173 3.279 1.746 1.00 0.00 C ATOM 1094 CG HIS A 70 0.685 2.932 2.912 1.00 0.00 C ATOM 1095 ND1 HIS A 70 1.474 1.805 2.942 1.00 0.00 N ATOM 1096 CD2 HIS A 70 0.861 3.547 4.103 1.00 0.00 C ATOM 1097 CE1 HIS A 70 2.099 1.739 4.100 1.00 0.00 C ATOM 1098 NE2 HIS A 70 1.743 2.784 4.824 1.00 0.00 N ATOM 0 H HIS A 70 2.054 4.416 1.245 1.00 0.00 H new ATOM 0 HA HIS A 70 -0.673 4.821 0.372 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -1.215 3.109 2.017 1.00 0.00 H new ATOM 0 HB3 HIS A 70 0.059 2.598 0.927 1.00 0.00 H new ATOM 0 HD1 HIS A 70 1.561 1.126 2.186 1.00 0.00 H new ATOM 0 HD2 HIS A 70 0.395 4.466 4.426 1.00 0.00 H new ATOM 0 HE1 HIS A 70 2.785 0.963 4.405 1.00 0.00 H new ATOM 1107 N TRP A 71 0.460 6.430 2.894 1.00 0.00 N ATOM 1108 CA TRP A 71 0.127 7.448 3.879 1.00 0.00 C ATOM 1109 C TRP A 71 -0.194 8.757 3.162 1.00 0.00 C ATOM 1110 O TRP A 71 -0.995 9.561 3.637 1.00 0.00 O ATOM 1111 CB TRP A 71 1.280 7.657 4.865 1.00 0.00 C ATOM 1112 CG TRP A 71 0.871 7.577 6.310 1.00 0.00 C ATOM 1113 CD1 TRP A 71 1.669 7.218 7.357 1.00 0.00 C ATOM 1114 CD2 TRP A 71 -0.422 7.860 6.871 1.00 0.00 C ATOM 1115 NE1 TRP A 71 0.959 7.258 8.531 1.00 0.00 N ATOM 1116 CE2 TRP A 71 -0.326 7.648 8.261 1.00 0.00 C ATOM 1117 CE3 TRP A 71 -1.650 8.272 6.340 1.00 0.00 C ATOM 1118 CZ2 TRP A 71 -1.405 7.834 9.120 1.00 0.00 C ATOM 1119 CZ3 TRP A 71 -2.720 8.453 7.196 1.00 0.00 C ATOM 1120 CH2 TRP A 71 -2.591 8.235 8.572 1.00 0.00 C ATOM 0 H TRP A 71 1.459 6.317 2.720 1.00 0.00 H new ATOM 0 HA TRP A 71 -0.743 7.116 4.446 1.00 0.00 H new ATOM 0 HB2 TRP A 71 2.049 6.908 4.674 1.00 0.00 H new ATOM 0 HB3 TRP A 71 1.731 8.632 4.679 1.00 0.00 H new ATOM 0 HD1 TRP A 71 2.710 6.942 7.274 1.00 0.00 H new ATOM 0 HE1 TRP A 71 1.328 7.034 9.455 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -1.759 8.445 5.280 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -1.308 7.667 10.183 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -3.672 8.768 6.796 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -3.446 8.387 9.214 1.00 0.00 H new ATOM 1131 N ARG A 72 0.433 8.958 2.001 1.00 0.00 N ATOM 1132 CA ARG A 72 0.204 10.159 1.212 1.00 0.00 C ATOM 1133 C ARG A 72 -1.102 10.036 0.435 1.00 0.00 C ATOM 1134 O ARG A 72 -1.801 11.023 0.213 1.00 0.00 O ATOM 1135 CB ARG A 72 1.367 10.396 0.248 1.00 0.00 C ATOM 1136 CG ARG A 72 1.311 11.743 -0.455 1.00 0.00 C ATOM 1137 CD ARG A 72 2.683 12.172 -0.948 1.00 0.00 C ATOM 1138 NE ARG A 72 2.928 11.745 -2.325 1.00 0.00 N ATOM 1139 CZ ARG A 72 2.431 12.367 -3.392 1.00 0.00 C ATOM 1140 NH1 ARG A 72 1.662 13.439 -3.247 1.00 0.00 N ATOM 1141 NH2 ARG A 72 2.702 11.914 -4.607 1.00 0.00 N ATOM 0 H ARG A 72 1.100 8.304 1.592 1.00 0.00 H new ATOM 0 HA ARG A 72 0.134 11.010 1.889 1.00 0.00 H new ATOM 0 HB2 ARG A 72 2.305 10.322 0.798 1.00 0.00 H new ATOM 0 HB3 ARG A 72 1.374 9.605 -0.501 1.00 0.00 H new ATOM 0 HG2 ARG A 72 0.622 11.686 -1.298 1.00 0.00 H new ATOM 0 HG3 ARG A 72 0.917 12.495 0.229 1.00 0.00 H new ATOM 0 HD2 ARG A 72 2.768 13.257 -0.884 1.00 0.00 H new ATOM 0 HD3 ARG A 72 3.450 11.753 -0.296 1.00 0.00 H new ATOM 0 HE ARG A 72 3.513 10.923 -2.477 1.00 0.00 H new ATOM 0 HH11 ARG A 72 1.449 13.791 -2.314 1.00 0.00 H new ATOM 0 HH12 ARG A 72 1.285 13.911 -4.069 1.00 0.00 H new ATOM 0 HH21 ARG A 72 3.291 11.089 -4.724 1.00 0.00 H new ATOM 0 HH22 ARG A 72 2.322 12.390 -5.425 1.00 0.00 H new ATOM 1155 N GLY A 73 -1.423 8.811 0.031 1.00 0.00 N ATOM 1156 CA GLY A 73 -2.647 8.571 -0.712 1.00 0.00 C ATOM 1157 C GLY A 73 -3.866 8.498 0.188 1.00 0.00 C ATOM 1158 O GLY A 73 -4.944 8.960 -0.182 1.00 0.00 O ATOM 0 H GLY A 73 -0.857 7.980 0.205 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -2.786 9.367 -1.444 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -2.554 7.639 -1.269 1.00 0.00 H new ATOM 1162 N THR A 74 -3.697 7.914 1.371 1.00 0.00 N ATOM 1163 CA THR A 74 -4.799 7.784 2.321 1.00 0.00 C ATOM 1164 C THR A 74 -5.118 9.124 2.975 1.00 0.00 C ATOM 1165 O THR A 74 -6.278 9.531 3.045 1.00 0.00 O ATOM 1166 CB THR A 74 -4.460 6.750 3.396 1.00 0.00 C ATOM 1167 OG1 THR A 74 -3.234 7.069 4.031 1.00 0.00 O ATOM 1168 CG2 THR A 74 -4.344 5.341 2.856 1.00 0.00 C ATOM 0 H THR A 74 -2.811 7.525 1.694 1.00 0.00 H new ATOM 0 HA THR A 74 -5.678 7.450 1.769 1.00 0.00 H new ATOM 0 HB THR A 74 -5.290 6.785 4.101 1.00 0.00 H new ATOM 0 HG1 THR A 74 -2.571 6.375 3.830 1.00 0.00 H new ATOM 0 HG21 THR A 74 -4.102 4.658 3.670 1.00 0.00 H new ATOM 0 HG22 THR A 74 -5.291 5.046 2.404 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.555 5.303 2.104 1.00 0.00 H new ATOM 1176 N LEU A 75 -4.082 9.807 3.455 1.00 0.00 N ATOM 1177 CA LEU A 75 -4.255 11.101 4.107 1.00 0.00 C ATOM 1178 C LEU A 75 -4.943 12.095 3.175 1.00 0.00 C ATOM 1179 O LEU A 75 -5.840 12.831 3.591 1.00 0.00 O ATOM 1180 CB LEU A 75 -2.901 11.656 4.552 1.00 0.00 C ATOM 1181 CG LEU A 75 -2.958 13.020 5.246 1.00 0.00 C ATOM 1182 CD1 LEU A 75 -2.091 13.023 6.497 1.00 0.00 C ATOM 1183 CD2 LEU A 75 -2.521 14.123 4.291 1.00 0.00 C ATOM 0 H LEU A 75 -3.115 9.486 3.405 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.887 10.955 4.983 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -2.436 10.940 5.229 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.253 11.736 3.679 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.989 13.210 5.544 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.145 14.001 6.975 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.448 12.260 7.189 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.058 12.810 6.224 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.568 15.085 4.801 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.499 13.936 3.962 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.183 14.138 3.425 1.00 0.00 H new ATOM 1195 N ARG A 76 -4.520 12.111 1.916 1.00 0.00 N ATOM 1196 CA ARG A 76 -5.098 13.015 0.928 1.00 0.00 C ATOM 1197 C ARG A 76 -6.206 12.323 0.142 1.00 0.00 C ATOM 1198 O ARG A 76 -5.941 11.559 -0.785 1.00 0.00 O ATOM 1199 CB ARG A 76 -4.014 13.520 -0.027 1.00 0.00 C ATOM 1200 CG ARG A 76 -4.084 15.016 -0.290 1.00 0.00 C ATOM 1201 CD ARG A 76 -3.465 15.377 -1.631 1.00 0.00 C ATOM 1202 NE ARG A 76 -2.508 16.475 -1.512 1.00 0.00 N ATOM 1203 CZ ARG A 76 -2.095 17.213 -2.540 1.00 0.00 C ATOM 1204 NH1 ARG A 76 -2.551 16.973 -3.764 1.00 0.00 N ATOM 1205 NH2 ARG A 76 -1.222 18.192 -2.345 1.00 0.00 N ATOM 0 H ARG A 76 -3.780 11.509 1.555 1.00 0.00 H new ATOM 0 HA ARG A 76 -5.530 13.865 1.456 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -3.035 13.278 0.387 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -4.100 12.988 -0.975 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -5.124 15.342 -0.269 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -3.566 15.551 0.506 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -2.964 14.503 -2.047 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -4.253 15.656 -2.331 1.00 0.00 H new ATOM 0 HE ARG A 76 -2.135 16.688 -0.587 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.221 16.220 -3.920 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -2.231 17.542 -4.548 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -0.867 18.379 -1.407 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -0.906 18.757 -3.133 1.00 0.00 H new ATOM 1219 N TYR A 77 -7.451 12.598 0.520 1.00 0.00 N ATOM 1220 CA TYR A 77 -8.603 12.003 -0.150 1.00 0.00 C ATOM 1221 C TYR A 77 -9.603 13.074 -0.570 1.00 0.00 C ATOM 1222 O TYR A 77 -9.364 14.268 -0.388 1.00 0.00 O ATOM 1223 CB TYR A 77 -9.281 10.984 0.770 1.00 0.00 C ATOM 1224 CG TYR A 77 -8.918 9.550 0.457 1.00 0.00 C ATOM 1225 CD1 TYR A 77 -8.989 9.063 -0.842 1.00 0.00 C ATOM 1226 CD2 TYR A 77 -8.505 8.683 1.461 1.00 0.00 C ATOM 1227 CE1 TYR A 77 -8.659 7.753 -1.132 1.00 0.00 C ATOM 1228 CE2 TYR A 77 -8.173 7.372 1.179 1.00 0.00 C ATOM 1229 CZ TYR A 77 -8.251 6.912 -0.118 1.00 0.00 C ATOM 1230 OH TYR A 77 -7.921 5.606 -0.402 1.00 0.00 O ATOM 0 H TYR A 77 -7.688 13.229 1.286 1.00 0.00 H new ATOM 0 HA TYR A 77 -8.249 11.494 -1.047 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.009 11.202 1.803 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -10.362 11.101 0.694 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -9.307 9.719 -1.638 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -8.442 9.040 2.478 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -8.720 7.390 -2.147 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -7.854 6.711 1.971 1.00 0.00 H new ATOM 0 HH TYR A 77 -7.654 5.149 0.423 1.00 0.00 H new ATOM 1240 N LYS A 78 -10.724 12.637 -1.136 1.00 0.00 N ATOM 1241 CA LYS A 78 -11.763 13.557 -1.584 1.00 0.00 C ATOM 1242 C LYS A 78 -13.073 12.814 -1.831 1.00 0.00 C ATOM 1243 O LYS A 78 -13.202 11.637 -1.492 1.00 0.00 O ATOM 1244 CB LYS A 78 -11.319 14.278 -2.859 1.00 0.00 C ATOM 1245 CG LYS A 78 -10.908 15.724 -2.628 1.00 0.00 C ATOM 1246 CD LYS A 78 -12.120 16.637 -2.532 1.00 0.00 C ATOM 1247 CE LYS A 78 -12.517 16.889 -1.085 1.00 0.00 C ATOM 1248 NZ LYS A 78 -13.959 16.600 -0.846 1.00 0.00 N ATOM 0 H LYS A 78 -10.936 11.652 -1.295 1.00 0.00 H new ATOM 0 HA LYS A 78 -11.928 14.295 -0.799 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.482 13.737 -3.300 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -12.133 14.251 -3.584 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -10.323 15.795 -1.711 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -10.265 16.056 -3.443 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -11.901 17.586 -3.021 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -12.957 16.189 -3.067 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -11.908 16.267 -0.428 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -12.307 17.927 -0.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -14.226 16.926 0.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -14.535 17.096 -1.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -14.125 15.576 -0.920 1.00 0.00 H new ATOM 1262 N VAL A 79 -14.045 13.510 -2.419 1.00 0.00 N ATOM 1263 CA VAL A 79 -15.352 12.927 -2.716 1.00 0.00 C ATOM 1264 C VAL A 79 -15.895 12.126 -1.533 1.00 0.00 C ATOM 1265 O VAL A 79 -16.646 11.166 -1.712 1.00 0.00 O ATOM 1266 CB VAL A 79 -15.297 12.023 -3.966 1.00 0.00 C ATOM 1267 CG1 VAL A 79 -14.439 10.790 -3.715 1.00 0.00 C ATOM 1268 CG2 VAL A 79 -16.699 11.623 -4.399 1.00 0.00 C ATOM 0 H VAL A 79 -13.950 14.486 -2.701 1.00 0.00 H new ATOM 0 HA VAL A 79 -16.026 13.761 -2.912 1.00 0.00 H new ATOM 0 HB VAL A 79 -14.836 12.593 -4.773 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -14.419 10.172 -4.613 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -13.424 11.098 -3.463 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -14.859 10.216 -2.889 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -16.639 10.986 -5.282 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -17.188 11.079 -3.591 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -17.276 12.517 -4.635 1.00 0.00 H new ATOM 1278 N ILE A 80 -15.514 12.527 -0.324 1.00 0.00 N ATOM 1279 CA ILE A 80 -15.966 11.850 0.885 1.00 0.00 C ATOM 1280 C ILE A 80 -16.221 12.852 2.008 1.00 0.00 C ATOM 1281 O ILE A 80 -15.361 13.672 2.329 1.00 0.00 O ATOM 1282 CB ILE A 80 -14.939 10.798 1.364 1.00 0.00 C ATOM 1283 CG1 ILE A 80 -14.745 9.718 0.297 1.00 0.00 C ATOM 1284 CG2 ILE A 80 -15.383 10.170 2.678 1.00 0.00 C ATOM 1285 CD1 ILE A 80 -13.517 8.863 0.517 1.00 0.00 C ATOM 0 H ILE A 80 -14.893 13.318 -0.156 1.00 0.00 H new ATOM 0 HA ILE A 80 -16.897 11.342 0.636 1.00 0.00 H new ATOM 0 HB ILE A 80 -13.986 11.301 1.529 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -15.626 9.076 0.278 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -14.676 10.194 -0.681 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -14.646 9.433 2.996 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -15.474 10.945 3.439 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -16.348 9.682 2.540 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -13.444 8.120 -0.277 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -12.628 9.494 0.507 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -13.593 8.358 1.480 1.00 0.00 H new ATOM 1297 N GLN A 81 -17.410 12.781 2.600 1.00 0.00 N ATOM 1298 CA GLN A 81 -17.780 13.682 3.686 1.00 0.00 C ATOM 1299 C GLN A 81 -18.210 12.896 4.922 1.00 0.00 C ATOM 1300 O GLN A 81 -19.305 12.336 4.962 1.00 0.00 O ATOM 1301 CB GLN A 81 -18.910 14.614 3.244 1.00 0.00 C ATOM 1302 CG GLN A 81 -18.611 15.364 1.954 1.00 0.00 C ATOM 1303 CD GLN A 81 -19.859 15.642 1.141 1.00 0.00 C ATOM 1304 OE1 GLN A 81 -20.352 16.768 1.103 1.00 0.00 O ATOM 1305 NE2 GLN A 81 -20.378 14.611 0.483 1.00 0.00 N ATOM 0 H GLN A 81 -18.133 12.109 2.346 1.00 0.00 H new ATOM 0 HA GLN A 81 -16.905 14.279 3.941 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -19.821 14.030 3.112 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -19.106 15.336 4.037 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -18.119 16.307 2.192 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -17.912 14.782 1.353 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -19.936 13.694 0.542 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -21.218 14.737 -0.082 1.00 0.00 H new ATOM 1314 N GLN A 82 -17.343 12.861 5.927 1.00 0.00 N ATOM 1315 CA GLN A 82 -17.634 12.146 7.164 1.00 0.00 C ATOM 1316 C GLN A 82 -17.989 13.118 8.285 1.00 0.00 C ATOM 1317 O GLN A 82 -17.215 14.022 8.603 1.00 0.00 O ATOM 1318 CB GLN A 82 -16.436 11.289 7.576 1.00 0.00 C ATOM 1319 CG GLN A 82 -16.769 10.240 8.626 1.00 0.00 C ATOM 1320 CD GLN A 82 -15.594 9.334 8.940 1.00 0.00 C ATOM 1321 OE1 GLN A 82 -14.617 9.757 9.556 1.00 0.00 O ATOM 1322 NE2 GLN A 82 -15.686 8.081 8.513 1.00 0.00 N ATOM 0 H GLN A 82 -16.432 13.320 5.910 1.00 0.00 H new ATOM 0 HA GLN A 82 -18.492 11.497 6.986 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -16.035 10.792 6.693 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -15.650 11.939 7.961 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -17.094 10.737 9.540 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -17.606 9.635 8.277 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -16.516 7.775 8.006 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -14.927 7.424 8.692 1.00 0.00 H new ATOM 1331 N GLN A 83 -19.163 12.928 8.878 1.00 0.00 N ATOM 1332 CA GLN A 83 -19.619 13.790 9.963 1.00 0.00 C ATOM 1333 C GLN A 83 -20.234 12.969 11.092 1.00 0.00 C ATOM 1334 O GLN A 83 -20.652 11.829 10.887 1.00 0.00 O ATOM 1335 CB GLN A 83 -20.638 14.805 9.441 1.00 0.00 C ATOM 1336 CG GLN A 83 -20.442 16.206 10.000 1.00 0.00 C ATOM 1337 CD GLN A 83 -21.617 16.671 10.837 1.00 0.00 C ATOM 1338 OE1 GLN A 83 -22.669 17.030 10.306 1.00 0.00 O ATOM 1339 NE2 GLN A 83 -21.445 16.668 12.153 1.00 0.00 N ATOM 0 H GLN A 83 -19.816 12.186 8.626 1.00 0.00 H new ATOM 0 HA GLN A 83 -18.754 14.323 10.357 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -20.575 14.844 8.354 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -21.642 14.461 9.690 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -19.537 16.227 10.608 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -20.289 16.903 9.176 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -20.557 16.363 12.551 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -22.201 16.971 12.767 1.00 0.00 H new ATOM 1348 N GLY A 84 -20.283 13.555 12.284 1.00 0.00 N ATOM 1349 CA GLY A 84 -20.847 12.863 13.429 1.00 0.00 C ATOM 1350 C GLY A 84 -20.939 13.751 14.656 1.00 0.00 C ATOM 1351 O GLY A 84 -19.922 14.225 15.163 1.00 0.00 O ATOM 0 H GLY A 84 -19.942 14.497 12.478 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -21.841 12.496 13.174 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -20.235 11.991 13.660 1.00 0.00 H new ATOM 1355 N TYR A 85 -22.159 13.974 15.134 1.00 0.00 N ATOM 1356 CA TYR A 85 -22.378 14.809 16.310 1.00 0.00 C ATOM 1357 C TYR A 85 -21.862 16.225 16.076 1.00 0.00 C ATOM 1358 O TYR A 85 -21.038 16.458 15.192 1.00 0.00 O ATOM 1359 CB TYR A 85 -21.689 14.197 17.530 1.00 0.00 C ATOM 1360 CG TYR A 85 -22.460 13.056 18.154 1.00 0.00 C ATOM 1361 CD1 TYR A 85 -22.492 11.803 17.554 1.00 0.00 C ATOM 1362 CD2 TYR A 85 -23.156 13.231 19.344 1.00 0.00 C ATOM 1363 CE1 TYR A 85 -23.195 10.758 18.122 1.00 0.00 C ATOM 1364 CE2 TYR A 85 -23.861 12.192 19.917 1.00 0.00 C ATOM 1365 CZ TYR A 85 -23.878 10.956 19.303 1.00 0.00 C ATOM 1366 OH TYR A 85 -24.580 9.918 19.870 1.00 0.00 O ATOM 0 H TYR A 85 -23.011 13.589 14.726 1.00 0.00 H new ATOM 0 HA TYR A 85 -23.451 14.860 16.495 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -20.702 13.840 17.238 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -21.538 14.974 18.279 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -21.959 11.643 16.629 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -23.145 14.196 19.829 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -23.209 9.790 17.643 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -24.397 12.345 20.842 1.00 0.00 H new ATOM 0 HH TYR A 85 -25.003 10.224 20.699 1.00 0.00 H new ATOM 1376 N ARG A 86 -22.354 17.167 16.875 1.00 0.00 N ATOM 1377 CA ARG A 86 -21.943 18.561 16.756 1.00 0.00 C ATOM 1378 C ARG A 86 -20.516 18.754 17.261 1.00 0.00 C ATOM 1379 O ARG A 86 -20.222 18.507 18.430 1.00 0.00 O ATOM 1380 CB ARG A 86 -22.898 19.465 17.539 1.00 0.00 C ATOM 1381 CG ARG A 86 -24.072 19.969 16.713 1.00 0.00 C ATOM 1382 CD ARG A 86 -25.377 19.318 17.140 1.00 0.00 C ATOM 1383 NE ARG A 86 -26.469 19.624 16.218 1.00 0.00 N ATOM 1384 CZ ARG A 86 -27.124 20.782 16.204 1.00 0.00 C ATOM 1385 NH1 ARG A 86 -26.802 21.746 17.057 1.00 0.00 N ATOM 1386 NH2 ARG A 86 -28.103 20.978 15.331 1.00 0.00 N ATOM 0 H ARG A 86 -23.037 16.990 17.611 1.00 0.00 H new ATOM 0 HA ARG A 86 -21.976 18.834 15.701 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -23.279 18.917 18.401 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -22.342 20.320 17.925 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -24.153 21.051 16.818 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -23.890 19.763 15.658 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -25.242 18.238 17.196 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -25.642 19.659 18.141 1.00 0.00 H new ATOM 0 HE ARG A 86 -26.745 18.908 15.546 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -26.048 21.602 17.729 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -27.308 22.631 17.041 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -28.353 20.241 14.671 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -28.606 21.865 15.319 1.00 0.00 H new ATOM 1400 N GLY A 87 -19.634 19.194 16.369 1.00 0.00 N ATOM 1401 CA GLY A 87 -18.249 19.412 16.742 1.00 0.00 C ATOM 1402 C GLY A 87 -17.534 18.122 17.096 1.00 0.00 C ATOM 1403 O GLY A 87 -17.320 17.268 16.235 1.00 0.00 O ATOM 0 H GLY A 87 -19.854 19.403 15.395 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -17.727 19.899 15.919 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -18.208 20.092 17.593 1.00 0.00 H new ATOM 1407 N LYS A 88 -17.166 17.980 18.364 1.00 0.00 N ATOM 1408 CA LYS A 88 -16.472 16.785 18.829 1.00 0.00 C ATOM 1409 C LYS A 88 -17.014 16.332 20.181 1.00 0.00 C ATOM 1410 O LYS A 88 -17.416 17.151 21.007 1.00 0.00 O ATOM 1411 CB LYS A 88 -14.968 17.051 18.929 1.00 0.00 C ATOM 1412 CG LYS A 88 -14.117 16.017 18.210 1.00 0.00 C ATOM 1413 CD LYS A 88 -12.661 16.448 18.128 1.00 0.00 C ATOM 1414 CE LYS A 88 -12.128 16.367 16.705 1.00 0.00 C ATOM 1415 NZ LYS A 88 -10.891 15.542 16.620 1.00 0.00 N ATOM 0 H LYS A 88 -17.337 18.677 19.088 1.00 0.00 H new ATOM 0 HA LYS A 88 -16.645 15.988 18.105 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -14.754 18.036 18.515 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -14.681 17.077 19.980 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -14.185 15.062 18.732 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -14.507 15.859 17.205 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -12.563 17.469 18.495 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -12.057 15.816 18.779 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -12.893 15.942 16.055 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -11.920 17.372 16.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -10.561 15.512 15.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -10.152 15.961 17.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -11.095 14.576 16.946 1.00 0.00 H new ATOM 1429 N ASN A 89 -17.025 15.021 20.399 1.00 0.00 N ATOM 1430 CA ASN A 89 -17.519 14.458 21.651 1.00 0.00 C ATOM 1431 C ASN A 89 -16.490 13.516 22.268 1.00 0.00 C ATOM 1432 O ASN A 89 -15.385 13.360 21.747 1.00 0.00 O ATOM 1433 CB ASN A 89 -18.833 13.712 21.415 1.00 0.00 C ATOM 1434 CG ASN A 89 -18.693 12.608 20.384 1.00 0.00 C ATOM 1435 OD1 ASN A 89 -18.722 12.861 19.180 1.00 0.00 O ATOM 1436 ND2 ASN A 89 -18.543 11.375 20.854 1.00 0.00 N ATOM 0 H ASN A 89 -16.698 14.329 19.725 1.00 0.00 H new ATOM 0 HA ASN A 89 -17.695 15.280 22.345 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -19.179 13.285 22.356 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -19.595 14.419 21.086 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -18.446 10.591 20.208 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -18.525 11.212 21.861 1.00 0.00 H new ATOM 1443 N SER A 90 -16.860 12.891 23.381 1.00 0.00 N ATOM 1444 CA SER A 90 -15.969 11.964 24.070 1.00 0.00 C ATOM 1445 C SER A 90 -16.763 10.979 24.921 1.00 0.00 C ATOM 1446 O SER A 90 -17.981 11.099 25.057 1.00 0.00 O ATOM 1447 CB SER A 90 -14.979 12.731 24.946 1.00 0.00 C ATOM 1448 OG SER A 90 -14.074 11.849 25.587 1.00 0.00 O ATOM 0 H SER A 90 -17.771 13.009 23.825 1.00 0.00 H new ATOM 0 HA SER A 90 -15.416 11.402 23.317 1.00 0.00 H new ATOM 0 HB2 SER A 90 -14.425 13.444 24.335 1.00 0.00 H new ATOM 0 HB3 SER A 90 -15.522 13.307 25.695 1.00 0.00 H new ATOM 0 HG SER A 90 -13.795 12.233 26.444 1.00 0.00 H new ATOM 1454 N VAL A 91 -16.064 10.004 25.496 1.00 0.00 N ATOM 1455 CA VAL A 91 -16.703 8.999 26.336 1.00 0.00 C ATOM 1456 C VAL A 91 -15.987 8.870 27.678 1.00 0.00 C ATOM 1457 O VAL A 91 -15.460 7.808 28.015 1.00 0.00 O ATOM 1458 CB VAL A 91 -16.730 7.622 25.642 1.00 0.00 C ATOM 1459 CG1 VAL A 91 -17.568 6.637 26.443 1.00 0.00 C ATOM 1460 CG2 VAL A 91 -17.259 7.752 24.222 1.00 0.00 C ATOM 0 H VAL A 91 -15.055 9.890 25.395 1.00 0.00 H new ATOM 0 HA VAL A 91 -17.728 9.330 26.506 1.00 0.00 H new ATOM 0 HB VAL A 91 -15.711 7.239 25.592 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -17.576 5.671 25.938 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -17.141 6.522 27.439 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -18.588 7.011 26.526 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -17.271 6.771 23.747 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -18.271 8.156 24.246 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -16.614 8.422 23.654 1.00 0.00 H new ATOM 1470 N ALA A 92 -15.971 9.959 28.440 1.00 0.00 N ATOM 1471 CA ALA A 92 -15.321 9.969 29.744 1.00 0.00 C ATOM 1472 C ALA A 92 -13.844 9.607 29.626 1.00 0.00 C ATOM 1473 O ALA A 92 -13.250 9.070 30.561 1.00 0.00 O ATOM 1474 CB ALA A 92 -16.026 9.015 30.694 1.00 0.00 C ATOM 0 H ALA A 92 -16.401 10.846 28.176 1.00 0.00 H new ATOM 0 HA ALA A 92 -15.389 10.980 30.146 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -15.529 9.034 31.664 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -17.065 9.322 30.813 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -15.990 8.004 30.287 1.00 0.00 H new ATOM 1480 N ALA A 93 -13.256 9.903 28.471 1.00 0.00 N ATOM 1481 CA ALA A 93 -11.849 9.608 28.230 1.00 0.00 C ATOM 1482 C ALA A 93 -11.414 10.102 26.855 1.00 0.00 C ATOM 1483 O ALA A 93 -11.950 9.677 25.833 1.00 0.00 O ATOM 1484 CB ALA A 93 -11.593 8.114 28.360 1.00 0.00 C ATOM 0 H ALA A 93 -13.733 10.347 27.687 1.00 0.00 H new ATOM 0 HA ALA A 93 -11.259 10.133 28.981 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -10.538 7.908 28.177 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -11.858 7.786 29.365 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -12.199 7.576 27.631 1.00 0.00 H new ATOM 1490 N ARG A 94 -10.437 11.004 26.837 1.00 0.00 N ATOM 1491 CA ARG A 94 -9.930 11.557 25.588 1.00 0.00 C ATOM 1492 C ARG A 94 -8.623 12.309 25.816 1.00 0.00 C ATOM 1493 O ARG A 94 -8.629 13.489 26.168 1.00 0.00 O ATOM 1494 CB ARG A 94 -10.971 12.488 24.960 1.00 0.00 C ATOM 1495 CG ARG A 94 -11.429 12.045 23.579 1.00 0.00 C ATOM 1496 CD ARG A 94 -10.742 12.838 22.479 1.00 0.00 C ATOM 1497 NE ARG A 94 -9.921 11.989 21.620 1.00 0.00 N ATOM 1498 CZ ARG A 94 -10.418 11.146 20.716 1.00 0.00 C ATOM 1499 NH1 ARG A 94 -11.731 11.033 20.558 1.00 0.00 N ATOM 1500 NH2 ARG A 94 -9.600 10.415 19.973 1.00 0.00 N ATOM 0 H ARG A 94 -9.981 11.367 27.674 1.00 0.00 H new ATOM 0 HA ARG A 94 -9.734 10.731 24.905 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -11.837 12.548 25.619 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -10.553 13.492 24.890 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -11.218 10.984 23.449 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -12.509 12.168 23.497 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -11.494 13.345 21.875 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -10.118 13.612 22.926 1.00 0.00 H new ATOM 0 HE ARG A 94 -8.907 12.045 21.718 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -12.364 11.593 21.130 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -12.107 10.386 19.865 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -8.591 10.498 20.093 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -9.980 9.769 19.281 1.00 0.00 H new ATOM 1514 N SER A 95 -7.505 11.620 25.613 1.00 0.00 N ATOM 1515 CA SER A 95 -6.192 12.226 25.797 1.00 0.00 C ATOM 1516 C SER A 95 -5.935 13.304 24.746 1.00 0.00 C ATOM 1517 O SER A 95 -5.583 14.435 25.081 1.00 0.00 O ATOM 1518 CB SER A 95 -5.100 11.155 25.732 1.00 0.00 C ATOM 1519 OG SER A 95 -4.607 10.850 27.025 1.00 0.00 O ATOM 0 H SER A 95 -7.482 10.643 25.321 1.00 0.00 H new ATOM 0 HA SER A 95 -6.170 12.696 26.780 1.00 0.00 H new ATOM 0 HB2 SER A 95 -5.499 10.252 25.269 1.00 0.00 H new ATOM 0 HB3 SER A 95 -4.283 11.503 25.100 1.00 0.00 H new ATOM 0 HG SER A 95 -3.912 10.162 26.956 1.00 0.00 H new ATOM 1525 N PRO A 96 -6.109 12.969 23.454 1.00 0.00 N ATOM 1526 CA PRO A 96 -5.895 13.921 22.358 1.00 0.00 C ATOM 1527 C PRO A 96 -6.761 15.169 22.501 1.00 0.00 C ATOM 1528 O PRO A 96 -7.852 15.247 21.939 1.00 0.00 O ATOM 1529 CB PRO A 96 -6.298 13.132 21.107 1.00 0.00 C ATOM 1530 CG PRO A 96 -6.182 11.701 21.498 1.00 0.00 C ATOM 1531 CD PRO A 96 -6.527 11.646 22.960 1.00 0.00 C ATOM 0 HA PRO A 96 -4.868 14.285 22.332 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -7.315 13.375 20.798 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -5.645 13.365 20.266 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -6.860 11.080 20.913 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -5.174 11.328 21.320 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -7.592 11.476 23.116 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -5.998 10.840 23.469 1.00 0.00 H new ATOM 1539 N GLU A 97 -6.266 16.143 23.258 1.00 0.00 N ATOM 1540 CA GLU A 97 -6.997 17.385 23.477 1.00 0.00 C ATOM 1541 C GLU A 97 -6.074 18.592 23.349 1.00 0.00 C ATOM 1542 O GLU A 97 -4.862 18.482 23.536 1.00 0.00 O ATOM 1543 CB GLU A 97 -7.657 17.378 24.856 1.00 0.00 C ATOM 1544 CG GLU A 97 -8.961 18.155 24.912 1.00 0.00 C ATOM 1545 CD GLU A 97 -10.160 17.311 24.528 1.00 0.00 C ATOM 1546 OE1 GLU A 97 -10.732 16.651 25.421 1.00 0.00 O ATOM 1547 OE2 GLU A 97 -10.526 17.307 23.333 1.00 0.00 O ATOM 0 H GLU A 97 -5.363 16.096 23.729 1.00 0.00 H new ATOM 0 HA GLU A 97 -7.770 17.459 22.712 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -7.846 16.347 25.154 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -6.963 17.798 25.584 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -9.104 18.545 25.920 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -8.897 19.014 24.244 1.00 0.00 H new ATOM 1554 N LYS A 98 -6.655 19.745 23.031 1.00 0.00 N ATOM 1555 CA LYS A 98 -5.886 20.973 22.878 1.00 0.00 C ATOM 1556 C LYS A 98 -6.119 21.910 24.060 1.00 0.00 C ATOM 1557 O LYS A 98 -6.902 22.856 23.969 1.00 0.00 O ATOM 1558 CB LYS A 98 -6.262 21.675 21.572 1.00 0.00 C ATOM 1559 CG LYS A 98 -5.088 22.359 20.890 1.00 0.00 C ATOM 1560 CD LYS A 98 -4.390 21.426 19.911 1.00 0.00 C ATOM 1561 CE LYS A 98 -4.158 22.097 18.567 1.00 0.00 C ATOM 1562 NZ LYS A 98 -4.152 21.116 17.449 1.00 0.00 N ATOM 0 H LYS A 98 -7.657 19.853 22.874 1.00 0.00 H new ATOM 0 HA LYS A 98 -4.829 20.710 22.849 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -6.694 20.945 20.888 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -7.035 22.416 21.777 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -5.439 23.246 20.362 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -4.376 22.697 21.642 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -3.435 21.108 20.329 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -4.992 20.528 19.771 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -4.936 22.840 18.393 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -3.207 22.630 18.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -3.991 21.615 16.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -3.393 20.422 17.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -5.068 20.625 17.413 1.00 0.00 H new ATOM 1576 N ALA A 99 -5.435 21.640 25.166 1.00 0.00 N ATOM 1577 CA ALA A 99 -5.568 22.458 26.365 1.00 0.00 C ATOM 1578 C ALA A 99 -4.283 22.443 27.186 1.00 0.00 C ATOM 1579 O ALA A 99 -3.772 21.381 27.538 1.00 0.00 O ATOM 1580 CB ALA A 99 -6.740 21.974 27.207 1.00 0.00 C ATOM 0 H ALA A 99 -4.783 20.861 25.257 1.00 0.00 H new ATOM 0 HA ALA A 99 -5.757 23.485 26.054 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -6.828 22.594 28.099 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -7.659 22.043 26.625 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -6.574 20.937 27.500 1.00 0.00 H new ATOM 1586 N SER A 100 -3.765 23.630 27.486 1.00 0.00 N ATOM 1587 CA SER A 100 -2.539 23.754 28.265 1.00 0.00 C ATOM 1588 C SER A 100 -2.824 24.363 29.634 1.00 0.00 C ATOM 1589 O SER A 100 -2.196 24.001 30.629 1.00 0.00 O ATOM 1590 CB SER A 100 -1.518 24.612 27.516 1.00 0.00 C ATOM 1591 OG SER A 100 -0.738 23.825 26.633 1.00 0.00 O ATOM 0 H SER A 100 -4.176 24.519 27.201 1.00 0.00 H new ATOM 0 HA SER A 100 -2.128 22.755 28.409 1.00 0.00 H new ATOM 0 HB2 SER A 100 -2.035 25.390 26.954 1.00 0.00 H new ATOM 0 HB3 SER A 100 -0.867 25.115 28.231 1.00 0.00 H new ATOM 0 HG SER A 100 -0.095 24.398 26.166 1.00 0.00 H new ATOM 1597 N ASN A 101 -3.775 25.290 29.677 1.00 0.00 N ATOM 1598 CA ASN A 101 -4.143 25.952 30.924 1.00 0.00 C ATOM 1599 C ASN A 101 -5.035 25.050 31.774 1.00 0.00 C ATOM 1600 O ASN A 101 -6.197 25.368 32.029 1.00 0.00 O ATOM 1601 CB ASN A 101 -4.858 27.273 30.633 1.00 0.00 C ATOM 1602 CG ASN A 101 -6.008 27.107 29.662 1.00 0.00 C ATOM 1603 OD1 ASN A 101 -7.043 26.532 29.998 1.00 0.00 O ATOM 1604 ND2 ASN A 101 -5.834 27.610 28.445 1.00 0.00 N ATOM 0 H ASN A 101 -4.305 25.600 28.863 1.00 0.00 H new ATOM 0 HA ASN A 101 -3.230 26.159 31.482 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -5.232 27.693 31.566 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -4.143 27.988 30.226 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -6.574 27.527 27.748 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -4.960 28.079 28.207 1.00 0.00 H new ATOM 1611 N MET A 102 -4.482 23.924 32.211 1.00 0.00 N ATOM 1612 CA MET A 102 -5.226 22.976 33.033 1.00 0.00 C ATOM 1613 C MET A 102 -4.666 22.930 34.452 1.00 0.00 C ATOM 1614 O MET A 102 -3.631 23.529 34.741 1.00 0.00 O ATOM 1615 CB MET A 102 -5.182 21.580 32.405 1.00 0.00 C ATOM 1616 CG MET A 102 -6.515 21.132 31.829 1.00 0.00 C ATOM 1617 SD MET A 102 -6.330 19.890 30.534 1.00 0.00 S ATOM 1618 CE MET A 102 -7.901 19.039 30.654 1.00 0.00 C ATOM 0 H MET A 102 -3.522 23.645 32.010 1.00 0.00 H new ATOM 0 HA MET A 102 -6.262 23.310 33.083 1.00 0.00 H new ATOM 0 HB2 MET A 102 -4.432 21.569 31.614 1.00 0.00 H new ATOM 0 HB3 MET A 102 -4.861 20.861 33.159 1.00 0.00 H new ATOM 0 HG2 MET A 102 -7.135 20.727 32.629 1.00 0.00 H new ATOM 0 HG3 MET A 102 -7.041 21.997 31.425 1.00 0.00 H new ATOM 0 HE1 MET A 102 -7.939 18.240 29.914 1.00 0.00 H new ATOM 0 HE2 MET A 102 -8.010 18.615 31.652 1.00 0.00 H new ATOM 0 HE3 MET A 102 -8.712 19.744 30.469 1.00 0.00 H new ATOM 1628 N GLU A 103 -5.357 22.214 35.333 1.00 0.00 N ATOM 1629 CA GLU A 103 -4.928 22.090 36.721 1.00 0.00 C ATOM 1630 C GLU A 103 -4.885 23.455 37.400 1.00 0.00 C ATOM 1631 O GLU A 103 -3.963 23.753 38.159 1.00 0.00 O ATOM 1632 CB GLU A 103 -3.553 21.422 36.794 1.00 0.00 C ATOM 1633 CG GLU A 103 -3.431 20.396 37.909 1.00 0.00 C ATOM 1634 CD GLU A 103 -2.164 20.567 38.724 1.00 0.00 C ATOM 1635 OE1 GLU A 103 -1.080 20.689 38.117 1.00 0.00 O ATOM 1636 OE2 GLU A 103 -2.257 20.578 39.970 1.00 0.00 O ATOM 0 H GLU A 103 -6.216 21.711 35.110 1.00 0.00 H new ATOM 0 HA GLU A 103 -5.652 21.468 37.247 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -3.344 20.936 35.841 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -2.793 22.190 36.934 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -4.296 20.476 38.568 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -3.450 19.394 37.479 1.00 0.00 H new ATOM 1643 N ASN A 104 -5.890 24.280 37.122 1.00 0.00 N ATOM 1644 CA ASN A 104 -5.967 25.614 37.706 1.00 0.00 C ATOM 1645 C ASN A 104 -4.765 26.458 37.295 1.00 0.00 C ATOM 1646 O ASN A 104 -3.736 25.929 36.873 1.00 0.00 O ATOM 1647 CB ASN A 104 -6.044 25.523 39.232 1.00 0.00 C ATOM 1648 CG ASN A 104 -7.472 25.507 39.738 1.00 0.00 C ATOM 1649 OD1 ASN A 104 -8.321 24.784 39.216 1.00 0.00 O ATOM 1650 ND2 ASN A 104 -7.747 26.308 40.762 1.00 0.00 N ATOM 0 H ASN A 104 -6.662 24.048 36.496 1.00 0.00 H new ATOM 0 HA ASN A 104 -6.871 26.095 37.332 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -5.533 24.620 39.566 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -5.515 26.369 39.671 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -8.692 26.340 41.145 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -7.013 26.891 41.165 1.00 0.00 H new ATOM 1657 N ASN A 105 -4.901 27.774 37.420 1.00 0.00 N ATOM 1658 CA ASN A 105 -3.826 28.692 37.061 1.00 0.00 C ATOM 1659 C ASN A 105 -4.054 30.066 37.684 1.00 0.00 C ATOM 1660 O ASN A 105 -4.709 30.925 37.094 1.00 0.00 O ATOM 1661 CB ASN A 105 -3.722 28.819 35.540 1.00 0.00 C ATOM 1662 CG ASN A 105 -2.499 29.604 35.109 1.00 0.00 C ATOM 1663 OD1 ASN A 105 -1.453 29.029 34.807 1.00 0.00 O ATOM 1664 ND2 ASN A 105 -2.625 30.926 35.076 1.00 0.00 N ATOM 0 H ASN A 105 -5.745 28.229 37.767 1.00 0.00 H new ATOM 0 HA ASN A 105 -2.891 28.288 37.449 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -3.687 27.824 35.096 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -4.618 29.307 35.157 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -1.836 31.507 34.792 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -3.511 31.360 35.335 1.00 0.00 H new ATOM 1671 N GLU A 106 -3.507 30.267 38.879 1.00 0.00 N ATOM 1672 CA GLU A 106 -3.652 31.536 39.582 1.00 0.00 C ATOM 1673 C GLU A 106 -2.633 32.554 39.079 1.00 0.00 C ATOM 1674 O GLU A 106 -2.660 33.706 39.562 1.00 0.00 O ATOM 1675 CB GLU A 106 -3.484 31.331 41.088 1.00 0.00 C ATOM 1676 CG GLU A 106 -4.787 31.031 41.809 1.00 0.00 C ATOM 1677 CD GLU A 106 -4.573 30.625 43.254 1.00 0.00 C ATOM 1678 OE1 GLU A 106 -4.046 31.448 44.032 1.00 0.00 O ATOM 1679 OE2 GLU A 106 -4.932 29.481 43.608 1.00 0.00 O ATOM 1680 OXT GLU A 106 -1.816 32.192 38.206 1.00 0.00 O ATOM 0 H GLU A 106 -2.960 29.567 39.380 1.00 0.00 H new ATOM 0 HA GLU A 106 -4.653 31.921 39.385 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -2.786 30.511 41.259 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -3.037 32.226 41.521 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -5.429 31.912 41.774 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -5.313 30.233 41.285 1.00 0.00 H new TER 1687 GLU A 106