USER MOD reduce.3.24.130724 H: found=0, std=0, add=462, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 462 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 Single : A 2 ASN : amide:sc= 0 X(o=0,f=-0.0029) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= 0.176 X(o=0.18,f=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A -3 HIS : no HD1:sc= -0.289 X(o=-0.29,f=-0.12) USER MOD Single : A -5 GLN :FLIP amide:sc= -1.34 F(o=-2.1,f=-1.3) USER MOD Single : A -6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 45:sc= 0.0236 USER MOD Single : A 11 LYS NZ :NH3+ 168:sc= 0.0576 (180deg=0.0391) USER MOD Single : A 12 THR OG1 : rot 39:sc= 0.0704 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -1.11 K(o=-1.1,f=-4.3!) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 70:sc= 0.285 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= -0.398 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot -114:sc= 0.0676 USER MOD Single : A -11 ASN : amide:sc= 0.293 K(o=0.29,f=-0.49) USER MOD Single : A -14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -16 SER OG : rot 180:sc= 0 USER MOD Single : A -17 ASN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A -18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -18 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -18 -5.455 -13.254 -16.078 1.00 0.00 N ATOM 2 CA MET A -18 -5.226 -14.185 -14.941 1.00 0.00 C ATOM 3 C MET A -18 -6.466 -14.295 -14.060 1.00 0.00 C ATOM 4 O MET A -18 -6.731 -13.423 -13.233 1.00 0.00 O ATOM 5 CB MET A -18 -4.040 -13.670 -14.122 1.00 0.00 C ATOM 6 CG MET A -18 -3.142 -14.775 -13.592 1.00 0.00 C ATOM 7 SD MET A -18 -1.861 -14.156 -12.484 1.00 0.00 S ATOM 8 CE MET A -18 -0.763 -15.570 -12.413 1.00 0.00 C ATOM 0 H1 MET A -18 -4.595 -13.199 -16.660 1.00 0.00 H new ATOM 0 H2 MET A -18 -6.244 -13.603 -16.659 1.00 0.00 H new ATOM 0 H3 MET A -18 -5.686 -12.309 -15.711 1.00 0.00 H new ATOM 0 HA MET A -18 -5.011 -15.180 -15.330 1.00 0.00 H new ATOM 0 HB2 MET A -18 -3.447 -12.997 -14.741 1.00 0.00 H new ATOM 0 HB3 MET A -18 -4.415 -13.084 -13.283 1.00 0.00 H new ATOM 0 HG2 MET A -18 -3.750 -15.510 -13.064 1.00 0.00 H new ATOM 0 HG3 MET A -18 -2.674 -15.291 -14.430 1.00 0.00 H new ATOM 0 HE1 MET A -18 0.082 -15.342 -11.764 1.00 0.00 H new ATOM 0 HE2 MET A -18 -1.303 -16.430 -12.018 1.00 0.00 H new ATOM 0 HE3 MET A -18 -0.399 -15.799 -13.415 1.00 0.00 H new ATOM 20 N ASN A -17 -7.221 -15.373 -14.243 1.00 0.00 N ATOM 21 CA ASN A -17 -8.433 -15.597 -13.463 1.00 0.00 C ATOM 22 C ASN A -17 -8.119 -16.352 -12.175 1.00 0.00 C ATOM 23 O ASN A -17 -8.714 -17.391 -11.889 1.00 0.00 O ATOM 24 CB ASN A -17 -9.460 -16.375 -14.290 1.00 0.00 C ATOM 25 CG ASN A -17 -10.886 -16.080 -13.867 1.00 0.00 C ATOM 26 OD1 ASN A -17 -11.197 -16.042 -12.676 1.00 0.00 O ATOM 27 ND2 ASN A -17 -11.761 -15.869 -14.843 1.00 0.00 N ATOM 0 H ASN A -17 -7.016 -16.104 -14.924 1.00 0.00 H new ATOM 0 HA ASN A -17 -8.851 -14.626 -13.199 1.00 0.00 H new ATOM 0 HB2 ASN A -17 -9.338 -16.126 -15.344 1.00 0.00 H new ATOM 0 HB3 ASN A -17 -9.268 -17.443 -14.191 1.00 0.00 H new ATOM 0 HD21 ASN A -17 -12.735 -15.666 -14.619 1.00 0.00 H new ATOM 0 HD22 ASN A -17 -11.459 -15.910 -15.816 1.00 0.00 H new ATOM 34 N SER A -16 -7.178 -15.822 -11.400 1.00 0.00 N ATOM 35 CA SER A -16 -6.783 -16.444 -10.142 1.00 0.00 C ATOM 36 C SER A -16 -7.659 -15.954 -8.993 1.00 0.00 C ATOM 37 O SER A -16 -8.204 -14.850 -9.040 1.00 0.00 O ATOM 38 CB SER A -16 -5.313 -16.149 -9.841 1.00 0.00 C ATOM 39 OG SER A -16 -4.671 -17.277 -9.272 1.00 0.00 O ATOM 0 H SER A -16 -6.675 -14.963 -11.622 1.00 0.00 H new ATOM 0 HA SER A -16 -6.916 -17.521 -10.242 1.00 0.00 H new ATOM 0 HB2 SER A -16 -4.802 -15.861 -10.759 1.00 0.00 H new ATOM 0 HB3 SER A -16 -5.241 -15.303 -9.157 1.00 0.00 H new ATOM 0 HG SER A -16 -3.732 -17.062 -9.091 1.00 0.00 H new ATOM 45 N VAL A -15 -7.781 -16.775 -7.956 1.00 0.00 N ATOM 46 CA VAL A -15 -8.591 -16.419 -6.799 1.00 0.00 C ATOM 47 C VAL A -15 -7.729 -15.807 -5.708 1.00 0.00 C ATOM 48 O VAL A -15 -8.213 -15.036 -4.881 1.00 0.00 O ATOM 49 CB VAL A -15 -9.334 -17.643 -6.230 1.00 0.00 C ATOM 50 CG1 VAL A -15 -10.287 -17.223 -5.121 1.00 0.00 C ATOM 51 CG2 VAL A -15 -10.080 -18.378 -7.333 1.00 0.00 C ATOM 0 H VAL A -15 -7.331 -17.688 -7.893 1.00 0.00 H new ATOM 0 HA VAL A -15 -9.327 -15.689 -7.135 1.00 0.00 H new ATOM 0 HB VAL A -15 -8.597 -18.325 -5.806 1.00 0.00 H new ATOM 0 HG11 VAL A -15 -10.802 -18.101 -4.732 1.00 0.00 H new ATOM 0 HG12 VAL A -15 -9.724 -16.747 -4.318 1.00 0.00 H new ATOM 0 HG13 VAL A -15 -11.019 -16.519 -5.517 1.00 0.00 H new ATOM 0 HG21 VAL A -15 -10.598 -19.239 -6.911 1.00 0.00 H new ATOM 0 HG22 VAL A -15 -10.806 -17.706 -7.791 1.00 0.00 H new ATOM 0 HG23 VAL A -15 -9.371 -18.716 -8.089 1.00 0.00 H new ATOM 61 N LYS A -14 -6.443 -16.127 -5.731 1.00 0.00 N ATOM 62 CA LYS A -14 -5.509 -15.577 -4.763 1.00 0.00 C ATOM 63 C LYS A -14 -5.067 -14.194 -5.220 1.00 0.00 C ATOM 64 O LYS A -14 -4.809 -13.308 -4.406 1.00 0.00 O ATOM 65 CB LYS A -14 -4.297 -16.496 -4.597 1.00 0.00 C ATOM 66 CG LYS A -14 -3.237 -15.942 -3.658 1.00 0.00 C ATOM 67 CD LYS A -14 -2.681 -17.020 -2.742 1.00 0.00 C ATOM 68 CE LYS A -14 -3.401 -17.040 -1.404 1.00 0.00 C ATOM 69 NZ LYS A -14 -2.482 -17.380 -0.283 1.00 0.00 N ATOM 0 H LYS A -14 -6.024 -16.764 -6.409 1.00 0.00 H new ATOM 0 HA LYS A -14 -6.005 -15.497 -3.796 1.00 0.00 H new ATOM 0 HB2 LYS A -14 -4.633 -17.463 -4.222 1.00 0.00 H new ATOM 0 HB3 LYS A -14 -3.848 -16.672 -5.575 1.00 0.00 H new ATOM 0 HG2 LYS A -14 -2.426 -15.506 -4.241 1.00 0.00 H new ATOM 0 HG3 LYS A -14 -3.666 -15.139 -3.058 1.00 0.00 H new ATOM 0 HD2 LYS A -14 -2.778 -17.993 -3.223 1.00 0.00 H new ATOM 0 HD3 LYS A -14 -1.617 -16.849 -2.581 1.00 0.00 H new ATOM 0 HE2 LYS A -14 -3.852 -16.065 -1.220 1.00 0.00 H new ATOM 0 HE3 LYS A -14 -4.214 -17.766 -1.440 1.00 0.00 H new ATOM 0 HZ1 LYS A -14 -3.012 -17.383 0.612 1.00 0.00 H new ATOM 0 HZ2 LYS A -14 -2.070 -18.321 -0.445 1.00 0.00 H new ATOM 0 HZ3 LYS A -14 -1.721 -16.673 -0.232 1.00 0.00 H new ATOM 83 N GLU A -13 -5.000 -14.017 -6.538 1.00 0.00 N ATOM 84 CA GLU A -13 -4.614 -12.745 -7.119 1.00 0.00 C ATOM 85 C GLU A -13 -5.775 -11.767 -7.050 1.00 0.00 C ATOM 86 O GLU A -13 -5.596 -10.588 -6.747 1.00 0.00 O ATOM 87 CB GLU A -13 -4.164 -12.931 -8.570 1.00 0.00 C ATOM 88 CG GLU A -13 -3.730 -11.639 -9.243 1.00 0.00 C ATOM 89 CD GLU A -13 -2.224 -11.464 -9.252 1.00 0.00 C ATOM 90 OE1 GLU A -13 -1.631 -11.368 -8.157 1.00 0.00 O ATOM 91 OE2 GLU A -13 -1.638 -11.424 -10.354 1.00 0.00 O ATOM 0 H GLU A -13 -5.210 -14.745 -7.221 1.00 0.00 H new ATOM 0 HA GLU A -13 -3.777 -12.342 -6.548 1.00 0.00 H new ATOM 0 HB2 GLU A -13 -3.337 -13.640 -8.597 1.00 0.00 H new ATOM 0 HB3 GLU A -13 -4.981 -13.372 -9.141 1.00 0.00 H new ATOM 0 HG2 GLU A -13 -4.100 -11.626 -10.268 1.00 0.00 H new ATOM 0 HG3 GLU A -13 -4.187 -10.794 -8.728 1.00 0.00 H new ATOM 98 N LEU A -12 -6.968 -12.275 -7.325 1.00 0.00 N ATOM 99 CA LEU A -12 -8.173 -11.455 -7.286 1.00 0.00 C ATOM 100 C LEU A -12 -8.590 -11.165 -5.846 1.00 0.00 C ATOM 101 O LEU A -12 -9.315 -10.206 -5.583 1.00 0.00 O ATOM 102 CB LEU A -12 -9.315 -12.149 -8.032 1.00 0.00 C ATOM 103 CG LEU A -12 -9.422 -11.807 -9.520 1.00 0.00 C ATOM 104 CD1 LEU A -12 -9.880 -10.369 -9.705 1.00 0.00 C ATOM 105 CD2 LEU A -12 -8.090 -12.038 -10.219 1.00 0.00 C ATOM 0 H LEU A -12 -7.129 -13.250 -7.577 1.00 0.00 H new ATOM 0 HA LEU A -12 -7.952 -10.508 -7.778 1.00 0.00 H new ATOM 0 HB2 LEU A -12 -9.192 -13.227 -7.931 1.00 0.00 H new ATOM 0 HB3 LEU A -12 -10.256 -11.889 -7.547 1.00 0.00 H new ATOM 0 HG LEU A -12 -10.165 -12.465 -9.971 1.00 0.00 H new ATOM 0 HD11 LEU A -12 -9.950 -10.144 -10.769 1.00 0.00 H new ATOM 0 HD12 LEU A -12 -10.857 -10.236 -9.240 1.00 0.00 H new ATOM 0 HD13 LEU A -12 -9.161 -9.695 -9.238 1.00 0.00 H new ATOM 0 HD21 LEU A -12 -8.186 -11.789 -11.276 1.00 0.00 H new ATOM 0 HD22 LEU A -12 -7.327 -11.406 -9.765 1.00 0.00 H new ATOM 0 HD23 LEU A -12 -7.802 -13.084 -10.117 1.00 0.00 H new ATOM 117 N ASN A -11 -8.130 -11.999 -4.917 1.00 0.00 N ATOM 118 CA ASN A -11 -8.460 -11.827 -3.507 1.00 0.00 C ATOM 119 C ASN A -11 -7.858 -10.541 -2.959 1.00 0.00 C ATOM 120 O ASN A -11 -8.465 -9.857 -2.135 1.00 0.00 O ATOM 121 CB ASN A -11 -7.966 -13.025 -2.690 1.00 0.00 C ATOM 122 CG ASN A -11 -9.102 -13.789 -2.039 1.00 0.00 C ATOM 123 OD1 ASN A -11 -9.676 -13.344 -1.046 1.00 0.00 O ATOM 124 ND2 ASN A -11 -9.433 -14.948 -2.598 1.00 0.00 N ATOM 0 H ASN A -11 -7.529 -12.799 -5.116 1.00 0.00 H new ATOM 0 HA ASN A -11 -9.545 -11.764 -3.423 1.00 0.00 H new ATOM 0 HB2 ASN A -11 -7.405 -13.697 -3.339 1.00 0.00 H new ATOM 0 HB3 ASN A -11 -7.278 -12.677 -1.920 1.00 0.00 H new ATOM 0 HD21 ASN A -11 -10.190 -15.506 -2.204 1.00 0.00 H new ATOM 0 HD22 ASN A -11 -8.930 -15.279 -3.421 1.00 0.00 H new ATOM 131 N VAL A -10 -6.663 -10.222 -3.426 1.00 0.00 N ATOM 132 CA VAL A -10 -5.965 -9.019 -2.992 1.00 0.00 C ATOM 133 C VAL A -10 -6.610 -7.770 -3.582 1.00 0.00 C ATOM 134 O VAL A -10 -6.888 -6.807 -2.868 1.00 0.00 O ATOM 135 CB VAL A -10 -4.477 -9.055 -3.390 1.00 0.00 C ATOM 136 CG1 VAL A -10 -3.734 -7.867 -2.798 1.00 0.00 C ATOM 137 CG2 VAL A -10 -3.837 -10.365 -2.952 1.00 0.00 C ATOM 0 H VAL A -10 -6.152 -10.781 -4.109 1.00 0.00 H new ATOM 0 HA VAL A -10 -6.038 -8.985 -1.905 1.00 0.00 H new ATOM 0 HB VAL A -10 -4.411 -8.990 -4.476 1.00 0.00 H new ATOM 0 HG11 VAL A -10 -2.685 -7.911 -3.091 1.00 0.00 H new ATOM 0 HG12 VAL A -10 -4.175 -6.941 -3.167 1.00 0.00 H new ATOM 0 HG13 VAL A -10 -3.809 -7.896 -1.711 1.00 0.00 H new ATOM 0 HG21 VAL A -10 -2.786 -10.371 -3.242 1.00 0.00 H new ATOM 0 HG22 VAL A -10 -3.915 -10.464 -1.869 1.00 0.00 H new ATOM 0 HG23 VAL A -10 -4.351 -11.199 -3.431 1.00 0.00 H new ATOM 147 N LYS A -9 -6.850 -7.797 -4.889 1.00 0.00 N ATOM 148 CA LYS A -9 -7.467 -6.668 -5.575 1.00 0.00 C ATOM 149 C LYS A -9 -8.851 -6.380 -5.002 1.00 0.00 C ATOM 150 O LYS A -9 -9.242 -5.223 -4.846 1.00 0.00 O ATOM 151 CB LYS A -9 -7.570 -6.951 -7.074 1.00 0.00 C ATOM 152 CG LYS A -9 -6.269 -6.724 -7.827 1.00 0.00 C ATOM 153 CD LYS A -9 -6.060 -7.772 -8.909 1.00 0.00 C ATOM 154 CE LYS A -9 -4.764 -7.539 -9.669 1.00 0.00 C ATOM 155 NZ LYS A -9 -4.941 -7.711 -11.137 1.00 0.00 N ATOM 0 H LYS A -9 -6.627 -8.588 -5.494 1.00 0.00 H new ATOM 0 HA LYS A -9 -6.839 -5.790 -5.422 1.00 0.00 H new ATOM 0 HB2 LYS A -9 -7.889 -7.983 -7.219 1.00 0.00 H new ATOM 0 HB3 LYS A -9 -8.344 -6.315 -7.503 1.00 0.00 H new ATOM 0 HG2 LYS A -9 -6.277 -5.731 -8.277 1.00 0.00 H new ATOM 0 HG3 LYS A -9 -5.433 -6.750 -7.128 1.00 0.00 H new ATOM 0 HD2 LYS A -9 -6.045 -8.764 -8.458 1.00 0.00 H new ATOM 0 HD3 LYS A -9 -6.899 -7.751 -9.604 1.00 0.00 H new ATOM 0 HE2 LYS A -9 -4.399 -6.533 -9.463 1.00 0.00 H new ATOM 0 HE3 LYS A -9 -4.004 -8.234 -9.311 1.00 0.00 H new ATOM 0 HZ1 LYS A -9 -4.034 -7.543 -11.618 1.00 0.00 H new ATOM 0 HZ2 LYS A -9 -5.265 -8.679 -11.337 1.00 0.00 H new ATOM 0 HZ3 LYS A -9 -5.647 -7.031 -11.484 1.00 0.00 H new ATOM 169 N GLU A -8 -9.586 -7.442 -4.688 1.00 0.00 N ATOM 170 CA GLU A -8 -10.926 -7.308 -4.130 1.00 0.00 C ATOM 171 C GLU A -8 -10.895 -6.524 -2.827 1.00 0.00 C ATOM 172 O GLU A -8 -11.429 -5.419 -2.737 1.00 0.00 O ATOM 173 CB GLU A -8 -11.548 -8.688 -3.901 1.00 0.00 C ATOM 174 CG GLU A -8 -12.751 -8.967 -4.788 1.00 0.00 C ATOM 175 CD GLU A -8 -14.035 -9.129 -3.998 1.00 0.00 C ATOM 176 OE1 GLU A -8 -14.183 -10.161 -3.309 1.00 0.00 O ATOM 177 OE2 GLU A -8 -14.894 -8.225 -4.069 1.00 0.00 O ATOM 0 H GLU A -8 -9.275 -8.406 -4.811 1.00 0.00 H new ATOM 0 HA GLU A -8 -11.538 -6.759 -4.846 1.00 0.00 H new ATOM 0 HB2 GLU A -8 -10.791 -9.452 -4.078 1.00 0.00 H new ATOM 0 HB3 GLU A -8 -11.849 -8.773 -2.857 1.00 0.00 H new ATOM 0 HG2 GLU A -8 -12.868 -8.151 -5.501 1.00 0.00 H new ATOM 0 HG3 GLU A -8 -12.568 -9.872 -5.367 1.00 0.00 H new ATOM 184 N MET A -7 -10.263 -7.111 -1.825 1.00 0.00 N ATOM 185 CA MET A -7 -10.146 -6.485 -0.511 1.00 0.00 C ATOM 186 C MET A -7 -9.616 -5.059 -0.629 1.00 0.00 C ATOM 187 O MET A -7 -9.961 -4.187 0.172 1.00 0.00 O ATOM 188 CB MET A -7 -9.228 -7.313 0.393 1.00 0.00 C ATOM 189 CG MET A -7 -7.798 -7.414 -0.113 1.00 0.00 C ATOM 190 SD MET A -7 -6.601 -7.586 1.224 1.00 0.00 S ATOM 191 CE MET A -7 -6.372 -5.873 1.695 1.00 0.00 C ATOM 0 H MET A -7 -9.819 -8.027 -1.894 1.00 0.00 H new ATOM 0 HA MET A -7 -11.141 -6.445 -0.067 1.00 0.00 H new ATOM 0 HB2 MET A -7 -9.221 -6.872 1.390 1.00 0.00 H new ATOM 0 HB3 MET A -7 -9.640 -8.317 0.492 1.00 0.00 H new ATOM 0 HG2 MET A -7 -7.713 -8.269 -0.784 1.00 0.00 H new ATOM 0 HG3 MET A -7 -7.559 -6.525 -0.697 1.00 0.00 H new ATOM 0 HE1 MET A -7 -5.656 -5.814 2.515 1.00 0.00 H new ATOM 0 HE2 MET A -7 -5.995 -5.308 0.842 1.00 0.00 H new ATOM 0 HE3 MET A -7 -7.326 -5.453 2.015 1.00 0.00 H new ATOM 201 N LYS A -6 -8.777 -4.828 -1.636 1.00 0.00 N ATOM 202 CA LYS A -6 -8.196 -3.510 -1.866 1.00 0.00 C ATOM 203 C LYS A -6 -9.284 -2.446 -1.970 1.00 0.00 C ATOM 204 O LYS A -6 -9.374 -1.554 -1.127 1.00 0.00 O ATOM 205 CB LYS A -6 -7.345 -3.518 -3.139 1.00 0.00 C ATOM 206 CG LYS A -6 -5.915 -3.052 -2.915 1.00 0.00 C ATOM 207 CD LYS A -6 -5.064 -3.247 -4.160 1.00 0.00 C ATOM 208 CE LYS A -6 -3.633 -3.619 -3.804 1.00 0.00 C ATOM 209 NZ LYS A -6 -2.921 -4.247 -4.951 1.00 0.00 N ATOM 0 H LYS A -6 -8.485 -5.539 -2.306 1.00 0.00 H new ATOM 0 HA LYS A -6 -7.559 -3.268 -1.016 1.00 0.00 H new ATOM 0 HB2 LYS A -6 -7.330 -4.527 -3.550 1.00 0.00 H new ATOM 0 HB3 LYS A -6 -7.815 -2.877 -3.885 1.00 0.00 H new ATOM 0 HG2 LYS A -6 -5.914 -1.999 -2.634 1.00 0.00 H new ATOM 0 HG3 LYS A -6 -5.477 -3.604 -2.084 1.00 0.00 H new ATOM 0 HD2 LYS A -6 -5.500 -4.029 -4.782 1.00 0.00 H new ATOM 0 HD3 LYS A -6 -5.067 -2.331 -4.751 1.00 0.00 H new ATOM 0 HE2 LYS A -6 -3.094 -2.726 -3.487 1.00 0.00 H new ATOM 0 HE3 LYS A -6 -3.636 -4.307 -2.958 1.00 0.00 H new ATOM 0 HZ1 LYS A -6 -1.949 -4.486 -4.668 1.00 0.00 H new ATOM 0 HZ2 LYS A -6 -3.421 -5.113 -5.238 1.00 0.00 H new ATOM 0 HZ3 LYS A -6 -2.895 -3.582 -5.750 1.00 0.00 H new ATOM 223 N GLN A -5 -10.112 -2.547 -3.008 1.00 0.00 N ATOM 224 CA GLN A -5 -11.191 -1.592 -3.213 1.00 0.00 C ATOM 225 C GLN A -5 -12.443 -1.978 -2.430 1.00 0.00 C ATOM 226 O GLN A -5 -13.537 -1.489 -2.711 1.00 0.00 O ATOM 227 CB GLN A -5 -11.536 -1.529 -4.690 1.00 0.00 C ATOM 228 CG GLN A -5 -10.581 -0.678 -5.510 1.00 0.00 C ATOM 229 CD GLN A -5 -9.159 -1.201 -5.476 1.00 0.00 C ATOM 230 OE1 GLN A -5 -8.980 -2.455 -5.873 1.00 0.00 O flip ATOM 231 NE2 GLN A -5 -8.231 -0.486 -5.097 1.00 0.00 N flip ATOM 0 H GLN A -5 -10.054 -3.279 -3.716 1.00 0.00 H new ATOM 0 HA GLN A -5 -10.848 -0.621 -2.856 1.00 0.00 H new ATOM 0 HB2 GLN A -5 -11.544 -2.541 -5.095 1.00 0.00 H new ATOM 0 HB3 GLN A -5 -12.546 -1.134 -4.801 1.00 0.00 H new ATOM 0 HG2 GLN A -5 -10.927 -0.643 -6.543 1.00 0.00 H new ATOM 0 HG3 GLN A -5 -10.597 0.345 -5.134 1.00 0.00 H new ATOM 0 HE21 GLN A -5 -8.414 0.473 -4.800 1.00 0.00 H new ATOM 0 HE22 GLN A -5 -7.279 -0.852 -5.080 1.00 0.00 H new ATOM 240 N LEU A -4 -12.272 -2.844 -1.447 1.00 0.00 N ATOM 241 CA LEU A -4 -13.381 -3.290 -0.613 1.00 0.00 C ATOM 242 C LEU A -4 -13.548 -2.374 0.588 1.00 0.00 C ATOM 243 O LEU A -4 -14.625 -1.832 0.834 1.00 0.00 O ATOM 244 CB LEU A -4 -13.157 -4.731 -0.149 1.00 0.00 C ATOM 245 CG LEU A -4 -14.390 -5.634 -0.222 1.00 0.00 C ATOM 246 CD1 LEU A -4 -13.976 -7.085 -0.410 1.00 0.00 C ATOM 247 CD2 LEU A -4 -15.240 -5.478 1.030 1.00 0.00 C ATOM 0 H LEU A -4 -11.371 -3.256 -1.203 1.00 0.00 H new ATOM 0 HA LEU A -4 -14.293 -3.252 -1.209 1.00 0.00 H new ATOM 0 HB2 LEU A -4 -12.366 -5.173 -0.755 1.00 0.00 H new ATOM 0 HB3 LEU A -4 -12.799 -4.714 0.880 1.00 0.00 H new ATOM 0 HG LEU A -4 -14.988 -5.333 -1.082 1.00 0.00 H new ATOM 0 HD11 LEU A -4 -14.865 -7.714 -0.460 1.00 0.00 H new ATOM 0 HD12 LEU A -4 -13.409 -7.185 -1.335 1.00 0.00 H new ATOM 0 HD13 LEU A -4 -13.357 -7.399 0.430 1.00 0.00 H new ATOM 0 HD21 LEU A -4 -16.113 -6.128 0.961 1.00 0.00 H new ATOM 0 HD22 LEU A -4 -14.652 -5.753 1.906 1.00 0.00 H new ATOM 0 HD23 LEU A -4 -15.565 -4.442 1.122 1.00 0.00 H new ATOM 259 N HIS A -3 -12.465 -2.211 1.326 1.00 0.00 N ATOM 260 CA HIS A -3 -12.461 -1.362 2.512 1.00 0.00 C ATOM 261 C HIS A -3 -12.788 0.085 2.151 1.00 0.00 C ATOM 262 O HIS A -3 -13.202 0.868 3.006 1.00 0.00 O ATOM 263 CB HIS A -3 -11.102 -1.435 3.213 1.00 0.00 C ATOM 264 CG HIS A -3 -11.182 -1.928 4.624 1.00 0.00 C ATOM 265 ND1 HIS A -3 -10.154 -2.606 5.244 1.00 0.00 N ATOM 266 CD2 HIS A -3 -12.177 -1.840 5.539 1.00 0.00 C ATOM 267 CE1 HIS A -3 -10.513 -2.913 6.478 1.00 0.00 C ATOM 268 NE2 HIS A -3 -11.735 -2.459 6.682 1.00 0.00 N ATOM 0 H HIS A -3 -11.570 -2.657 1.126 1.00 0.00 H new ATOM 0 HA HIS A -3 -13.231 -1.727 3.191 1.00 0.00 H new ATOM 0 HB2 HIS A -3 -10.444 -2.092 2.644 1.00 0.00 H new ATOM 0 HB3 HIS A -3 -10.646 -0.445 3.208 1.00 0.00 H new ATOM 0 HD2 HIS A -3 -13.139 -1.370 5.396 1.00 0.00 H new ATOM 0 HE1 HIS A -3 -9.909 -3.445 7.198 1.00 0.00 H new ATOM 0 HE2 HIS A -3 -12.265 -2.553 7.548 1.00 0.00 H new ATOM 277 N GLY A -2 -12.601 0.432 0.883 1.00 0.00 N ATOM 278 CA GLY A -2 -12.881 1.782 0.433 1.00 0.00 C ATOM 279 C GLY A -2 -11.643 2.491 -0.081 1.00 0.00 C ATOM 280 O GLY A -2 -10.790 1.877 -0.721 1.00 0.00 O ATOM 0 H GLY A -2 -12.260 -0.199 0.158 1.00 0.00 H new ATOM 0 HA2 GLY A -2 -13.632 1.750 -0.357 1.00 0.00 H new ATOM 0 HA3 GLY A -2 -13.308 2.355 1.256 1.00 0.00 H new ATOM 284 N GLY A -1 -11.545 3.785 0.201 1.00 0.00 N ATOM 285 CA GLY A -1 -10.399 4.556 -0.243 1.00 0.00 C ATOM 286 C GLY A -1 -10.325 5.918 0.417 1.00 0.00 C ATOM 287 O GLY A -1 -11.336 6.447 0.879 1.00 0.00 O ATOM 0 H GLY A -1 -12.239 4.314 0.729 1.00 0.00 H new ATOM 0 HA2 GLY A -1 -9.486 4.001 -0.027 1.00 0.00 H new ATOM 0 HA3 GLY A -1 -10.447 4.682 -1.325 1.00 0.00 H new ATOM 291 N VAL A 1 -9.125 6.488 0.462 1.00 0.00 N ATOM 292 CA VAL A 1 -8.924 7.797 1.071 1.00 0.00 C ATOM 293 C VAL A 1 -8.533 8.836 0.025 1.00 0.00 C ATOM 294 O VAL A 1 -8.122 8.492 -1.083 1.00 0.00 O ATOM 295 CB VAL A 1 -7.837 7.749 2.161 1.00 0.00 C ATOM 296 CG1 VAL A 1 -8.335 6.990 3.381 1.00 0.00 C ATOM 297 CG2 VAL A 1 -6.562 7.122 1.616 1.00 0.00 C ATOM 0 H VAL A 1 -8.278 6.064 0.084 1.00 0.00 H new ATOM 0 HA VAL A 1 -9.872 8.082 1.526 1.00 0.00 H new ATOM 0 HB VAL A 1 -7.610 8.770 2.467 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -7.553 6.967 4.140 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -9.217 7.488 3.784 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -8.593 5.970 3.095 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -5.805 7.096 2.400 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -6.771 6.106 1.280 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -6.195 7.714 0.777 1.00 0.00 H new ATOM 307 N ASN A 2 -8.664 10.108 0.386 1.00 0.00 N ATOM 308 CA ASN A 2 -8.324 11.199 -0.520 1.00 0.00 C ATOM 309 C ASN A 2 -7.624 12.328 0.229 1.00 0.00 C ATOM 310 O ASN A 2 -8.234 13.350 0.543 1.00 0.00 O ATOM 311 CB ASN A 2 -9.584 11.729 -1.207 1.00 0.00 C ATOM 312 CG ASN A 2 -9.319 12.184 -2.629 1.00 0.00 C ATOM 313 OD1 ASN A 2 -8.551 13.117 -2.862 1.00 0.00 O ATOM 314 ND2 ASN A 2 -9.958 11.525 -3.589 1.00 0.00 N ATOM 0 H ASN A 2 -9.003 10.409 1.300 1.00 0.00 H new ATOM 0 HA ASN A 2 -7.642 10.812 -1.277 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -10.346 10.950 -1.214 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -9.986 12.562 -0.631 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -9.821 11.786 -4.565 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -10.586 10.757 -3.350 1.00 0.00 H new ATOM 321 N TYR A 3 -6.340 12.135 0.513 1.00 0.00 N ATOM 322 CA TYR A 3 -5.555 13.136 1.227 1.00 0.00 C ATOM 323 C TYR A 3 -6.106 13.354 2.635 1.00 0.00 C ATOM 324 O TYR A 3 -6.644 14.416 2.948 1.00 0.00 O ATOM 325 CB TYR A 3 -5.544 14.456 0.448 1.00 0.00 C ATOM 326 CG TYR A 3 -4.153 14.970 0.149 1.00 0.00 C ATOM 327 CD1 TYR A 3 -3.363 14.364 -0.819 1.00 0.00 C ATOM 328 CD2 TYR A 3 -3.632 16.060 0.835 1.00 0.00 C ATOM 329 CE1 TYR A 3 -2.091 14.830 -1.096 1.00 0.00 C ATOM 330 CE2 TYR A 3 -2.362 16.532 0.563 1.00 0.00 C ATOM 331 CZ TYR A 3 -1.596 15.914 -0.402 1.00 0.00 C ATOM 332 OH TYR A 3 -0.331 16.381 -0.675 1.00 0.00 O ATOM 0 H TYR A 3 -5.821 11.294 0.260 1.00 0.00 H new ATOM 0 HA TYR A 3 -4.532 12.771 1.314 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -6.081 14.319 -0.490 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -6.086 15.210 1.019 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -3.748 13.515 -1.364 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -4.229 16.546 1.593 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -1.489 14.348 -1.852 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -1.971 17.381 1.104 1.00 0.00 H new ATOM 0 HH TYR A 3 -0.135 17.150 -0.100 1.00 0.00 H new ATOM 342 N GLY A 4 -5.969 12.337 3.480 1.00 0.00 N ATOM 343 CA GLY A 4 -6.457 12.434 4.843 1.00 0.00 C ATOM 344 C GLY A 4 -5.400 12.940 5.805 1.00 0.00 C ATOM 345 O GLY A 4 -5.124 12.306 6.823 1.00 0.00 O ATOM 0 H GLY A 4 -5.529 11.447 3.245 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.318 13.102 4.870 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.803 11.454 5.172 1.00 0.00 H new ATOM 349 N ASN A 5 -4.807 14.084 5.481 1.00 0.00 N ATOM 350 CA ASN A 5 -3.774 14.675 6.324 1.00 0.00 C ATOM 351 C ASN A 5 -4.374 15.659 7.326 1.00 0.00 C ATOM 352 O ASN A 5 -3.741 16.003 8.325 1.00 0.00 O ATOM 353 CB ASN A 5 -2.727 15.383 5.462 1.00 0.00 C ATOM 354 CG ASN A 5 -1.907 14.413 4.634 1.00 0.00 C ATOM 355 OD1 ASN A 5 -0.992 13.764 5.142 1.00 0.00 O ATOM 356 ND2 ASN A 5 -2.232 14.309 3.351 1.00 0.00 N ATOM 0 H ASN A 5 -5.024 14.620 4.641 1.00 0.00 H new ATOM 0 HA ASN A 5 -3.296 13.869 6.881 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -3.225 16.091 4.800 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -2.062 15.960 6.104 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -1.716 13.672 2.744 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -2.998 14.866 2.972 1.00 0.00 H new ATOM 363 N GLY A 6 -5.595 16.109 7.054 1.00 0.00 N ATOM 364 CA GLY A 6 -6.253 17.049 7.943 1.00 0.00 C ATOM 365 C GLY A 6 -7.168 16.365 8.940 1.00 0.00 C ATOM 366 O GLY A 6 -8.351 16.693 9.033 1.00 0.00 O ATOM 0 H GLY A 6 -6.140 15.840 6.235 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -5.499 17.623 8.482 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -6.832 17.759 7.352 1.00 0.00 H new ATOM 370 N VAL A 7 -6.620 15.412 9.687 1.00 0.00 N ATOM 371 CA VAL A 7 -7.396 14.681 10.683 1.00 0.00 C ATOM 372 C VAL A 7 -7.461 15.453 11.997 1.00 0.00 C ATOM 373 O VAL A 7 -6.664 16.360 12.235 1.00 0.00 O ATOM 374 CB VAL A 7 -6.800 13.284 10.950 1.00 0.00 C ATOM 375 CG1 VAL A 7 -7.796 12.412 11.699 1.00 0.00 C ATOM 376 CG2 VAL A 7 -6.377 12.621 9.647 1.00 0.00 C ATOM 0 H VAL A 7 -5.643 15.128 9.622 1.00 0.00 H new ATOM 0 HA VAL A 7 -8.402 14.565 10.279 1.00 0.00 H new ATOM 0 HB VAL A 7 -5.914 13.404 11.573 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -7.357 11.430 11.878 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -8.043 12.879 12.653 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -8.702 12.301 11.104 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -5.959 11.637 9.858 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -7.244 12.515 8.995 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -5.625 13.236 9.153 1.00 0.00 H new ATOM 386 N SER A 8 -8.417 15.089 12.848 1.00 0.00 N ATOM 387 CA SER A 8 -8.584 15.752 14.136 1.00 0.00 C ATOM 388 C SER A 8 -8.760 14.734 15.259 1.00 0.00 C ATOM 389 O SER A 8 -8.776 13.526 15.020 1.00 0.00 O ATOM 390 CB SER A 8 -9.788 16.695 14.095 1.00 0.00 C ATOM 391 OG SER A 8 -9.541 17.801 13.244 1.00 0.00 O ATOM 0 H SER A 8 -9.086 14.340 12.668 1.00 0.00 H new ATOM 0 HA SER A 8 -7.682 16.331 14.335 1.00 0.00 H new ATOM 0 HB2 SER A 8 -10.667 16.153 13.746 1.00 0.00 H new ATOM 0 HB3 SER A 8 -10.011 17.049 15.101 1.00 0.00 H new ATOM 0 HG SER A 8 -10.326 18.388 13.234 1.00 0.00 H new ATOM 397 N CYS A 9 -8.893 15.232 16.484 1.00 0.00 N ATOM 398 CA CYS A 9 -9.069 14.369 17.649 1.00 0.00 C ATOM 399 C CYS A 9 -10.511 13.880 17.747 1.00 0.00 C ATOM 400 O CYS A 9 -11.435 14.675 17.917 1.00 0.00 O ATOM 401 CB CYS A 9 -8.690 15.106 18.942 1.00 0.00 C ATOM 402 SG CYS A 9 -7.390 16.373 18.753 1.00 0.00 S ATOM 0 H CYS A 9 -8.882 16.229 16.697 1.00 0.00 H new ATOM 0 HA CYS A 9 -8.408 13.511 17.525 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -9.583 15.581 19.347 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -8.358 14.373 19.677 1.00 0.00 H new ATOM 407 N SER A 10 -10.698 12.568 17.644 1.00 0.00 N ATOM 408 CA SER A 10 -12.030 11.977 17.728 1.00 0.00 C ATOM 409 C SER A 10 -11.947 10.490 18.050 1.00 0.00 C ATOM 410 O SER A 10 -11.504 9.689 17.227 1.00 0.00 O ATOM 411 CB SER A 10 -12.792 12.182 16.421 1.00 0.00 C ATOM 412 OG SER A 10 -11.951 11.972 15.300 1.00 0.00 O ATOM 0 H SER A 10 -9.945 11.894 17.502 1.00 0.00 H new ATOM 0 HA SER A 10 -12.567 12.478 18.534 1.00 0.00 H new ATOM 0 HB2 SER A 10 -13.638 11.496 16.378 1.00 0.00 H new ATOM 0 HB3 SER A 10 -13.200 13.192 16.389 1.00 0.00 H new ATOM 0 HG SER A 10 -11.425 11.156 15.434 1.00 0.00 H new ATOM 418 N LYS A 11 -12.384 10.130 19.252 1.00 0.00 N ATOM 419 CA LYS A 11 -12.375 8.741 19.700 1.00 0.00 C ATOM 420 C LYS A 11 -10.959 8.179 19.840 1.00 0.00 C ATOM 421 O LYS A 11 -10.763 7.130 20.455 1.00 0.00 O ATOM 422 CB LYS A 11 -13.187 7.891 18.732 1.00 0.00 C ATOM 423 CG LYS A 11 -13.783 6.643 19.365 1.00 0.00 C ATOM 424 CD LYS A 11 -13.411 5.389 18.588 1.00 0.00 C ATOM 425 CE LYS A 11 -13.100 4.229 19.520 1.00 0.00 C ATOM 426 NZ LYS A 11 -11.635 4.047 19.711 1.00 0.00 N ATOM 0 H LYS A 11 -12.752 10.787 19.940 1.00 0.00 H new ATOM 0 HA LYS A 11 -12.825 8.710 20.692 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -13.992 8.497 18.318 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -12.549 7.596 17.899 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -13.432 6.552 20.393 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -14.868 6.738 19.406 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -14.231 5.114 17.924 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -12.545 5.593 17.958 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -13.573 4.403 20.486 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -13.530 3.313 19.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -11.467 3.390 20.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -11.217 3.659 18.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -11.196 4.965 19.926 1.00 0.00 H new ATOM 440 N THR A 12 -9.976 8.869 19.274 1.00 0.00 N ATOM 441 CA THR A 12 -8.598 8.428 19.343 1.00 0.00 C ATOM 442 C THR A 12 -7.652 9.625 19.266 1.00 0.00 C ATOM 443 O THR A 12 -8.056 10.721 18.878 1.00 0.00 O ATOM 444 CB THR A 12 -8.329 7.421 18.220 1.00 0.00 C ATOM 445 OG1 THR A 12 -8.398 6.095 18.715 1.00 0.00 O ATOM 446 CG2 THR A 12 -6.982 7.582 17.546 1.00 0.00 C ATOM 0 H THR A 12 -10.114 9.740 18.761 1.00 0.00 H new ATOM 0 HA THR A 12 -8.418 7.933 20.297 1.00 0.00 H new ATOM 0 HB THR A 12 -9.103 7.621 17.479 1.00 0.00 H new ATOM 0 HG1 THR A 12 -9.131 6.025 19.362 1.00 0.00 H new ATOM 0 HG21 THR A 12 -6.874 6.830 16.764 1.00 0.00 H new ATOM 0 HG22 THR A 12 -6.912 8.576 17.105 1.00 0.00 H new ATOM 0 HG23 THR A 12 -6.189 7.456 18.283 1.00 0.00 H new ATOM 454 N LYS A 13 -6.393 9.410 19.636 1.00 0.00 N ATOM 455 CA LYS A 13 -5.397 10.476 19.604 1.00 0.00 C ATOM 456 C LYS A 13 -5.347 11.136 18.229 1.00 0.00 C ATOM 457 O LYS A 13 -5.573 10.485 17.209 1.00 0.00 O ATOM 458 CB LYS A 13 -4.017 9.924 19.968 1.00 0.00 C ATOM 459 CG LYS A 13 -3.587 8.747 19.107 1.00 0.00 C ATOM 460 CD LYS A 13 -2.882 7.681 19.932 1.00 0.00 C ATOM 461 CE LYS A 13 -1.379 7.910 19.976 1.00 0.00 C ATOM 462 NZ LYS A 13 -0.636 6.858 19.229 1.00 0.00 N ATOM 0 H LYS A 13 -6.039 8.510 19.961 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.685 11.229 20.337 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.279 10.721 19.874 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -4.022 9.616 21.014 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -4.460 8.313 18.620 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.922 9.096 18.317 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -3.281 7.682 20.946 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -3.089 6.698 19.510 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -1.148 8.888 19.553 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -1.044 7.924 21.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 0.385 7.050 19.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -0.836 5.928 19.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -0.937 6.861 18.233 1.00 0.00 H new ATOM 476 N CYS A 14 -5.046 12.431 18.209 1.00 0.00 N ATOM 477 CA CYS A 14 -4.963 13.175 16.955 1.00 0.00 C ATOM 478 C CYS A 14 -3.509 13.426 16.570 1.00 0.00 C ATOM 479 O CYS A 14 -3.119 14.555 16.268 1.00 0.00 O ATOM 480 CB CYS A 14 -5.717 14.507 17.051 1.00 0.00 C ATOM 481 SG CYS A 14 -5.667 15.302 18.691 1.00 0.00 S ATOM 0 H CYS A 14 -4.856 12.986 19.043 1.00 0.00 H new ATOM 0 HA CYS A 14 -5.432 12.568 16.180 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -5.301 15.197 16.316 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -6.758 14.339 16.777 1.00 0.00 H new ATOM 486 N SER A 15 -2.710 12.364 16.582 1.00 0.00 N ATOM 487 CA SER A 15 -1.298 12.465 16.233 1.00 0.00 C ATOM 488 C SER A 15 -0.907 11.380 15.235 1.00 0.00 C ATOM 489 O SER A 15 -1.457 10.279 15.255 1.00 0.00 O ATOM 490 CB SER A 15 -0.431 12.355 17.489 1.00 0.00 C ATOM 491 OG SER A 15 -0.985 13.102 18.559 1.00 0.00 O ATOM 0 H SER A 15 -3.017 11.423 16.830 1.00 0.00 H new ATOM 0 HA SER A 15 -1.132 13.438 15.770 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.340 11.309 17.781 1.00 0.00 H new ATOM 0 HB3 SER A 15 0.575 12.715 17.273 1.00 0.00 H new ATOM 0 HG SER A 15 -0.413 13.014 19.350 1.00 0.00 H new ATOM 497 N VAL A 16 0.043 11.699 14.362 1.00 0.00 N ATOM 498 CA VAL A 16 0.503 10.750 13.355 1.00 0.00 C ATOM 499 C VAL A 16 1.990 10.451 13.518 1.00 0.00 C ATOM 500 O VAL A 16 2.741 11.260 14.063 1.00 0.00 O ATOM 501 CB VAL A 16 0.249 11.278 11.930 1.00 0.00 C ATOM 502 CG1 VAL A 16 0.589 10.214 10.897 1.00 0.00 C ATOM 503 CG2 VAL A 16 -1.194 11.736 11.777 1.00 0.00 C ATOM 0 H VAL A 16 0.509 12.606 14.332 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.066 9.832 13.502 1.00 0.00 H new ATOM 0 HB VAL A 16 0.898 12.137 11.761 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.403 10.605 9.897 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.640 9.939 10.990 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.032 9.334 11.063 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.353 12.105 10.764 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -1.864 10.897 11.967 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.400 12.534 12.491 1.00 0.00 H new ATOM 513 N ASN A 17 2.408 9.285 13.037 1.00 0.00 N ATOM 514 CA ASN A 17 3.804 8.875 13.123 1.00 0.00 C ATOM 515 C ASN A 17 4.474 8.959 11.755 1.00 0.00 C ATOM 516 O ASN A 17 4.920 7.951 11.205 1.00 0.00 O ATOM 517 CB ASN A 17 3.908 7.451 13.672 1.00 0.00 C ATOM 518 CG ASN A 17 5.253 7.176 14.315 1.00 0.00 C ATOM 519 OD1 ASN A 17 6.043 8.091 14.545 1.00 0.00 O ATOM 520 ND2 ASN A 17 5.521 5.908 14.608 1.00 0.00 N ATOM 0 H ASN A 17 1.798 8.606 12.582 1.00 0.00 H new ATOM 0 HA ASN A 17 4.318 9.553 13.804 1.00 0.00 H new ATOM 0 HB2 ASN A 17 3.118 7.289 14.405 1.00 0.00 H new ATOM 0 HB3 ASN A 17 3.743 6.740 12.863 1.00 0.00 H new ATOM 0 HD21 ASN A 17 6.411 5.662 15.041 1.00 0.00 H new ATOM 0 HD22 ASN A 17 4.837 5.181 14.400 1.00 0.00 H new ATOM 527 N TRP A 18 4.535 10.170 11.208 1.00 0.00 N ATOM 528 CA TRP A 18 5.142 10.394 9.903 1.00 0.00 C ATOM 529 C TRP A 18 6.671 10.388 9.969 1.00 0.00 C ATOM 530 O TRP A 18 7.337 10.738 8.994 1.00 0.00 O ATOM 531 CB TRP A 18 4.649 11.717 9.313 1.00 0.00 C ATOM 532 CG TRP A 18 4.130 11.585 7.913 1.00 0.00 C ATOM 533 CD1 TRP A 18 3.141 10.749 7.481 1.00 0.00 C ATOM 534 CD2 TRP A 18 4.574 12.312 6.761 1.00 0.00 C ATOM 535 NE1 TRP A 18 2.942 10.911 6.131 1.00 0.00 N ATOM 536 CE2 TRP A 18 3.810 11.865 5.666 1.00 0.00 C ATOM 537 CE3 TRP A 18 5.542 13.297 6.549 1.00 0.00 C ATOM 538 CZ2 TRP A 18 3.985 12.370 4.380 1.00 0.00 C ATOM 539 CZ3 TRP A 18 5.715 13.797 5.272 1.00 0.00 C ATOM 540 CH2 TRP A 18 4.940 13.333 4.202 1.00 0.00 C ATOM 0 H TRP A 18 4.170 11.013 11.651 1.00 0.00 H new ATOM 0 HA TRP A 18 4.839 9.570 9.258 1.00 0.00 H new ATOM 0 HB2 TRP A 18 3.860 12.119 9.949 1.00 0.00 H new ATOM 0 HB3 TRP A 18 5.466 12.438 9.324 1.00 0.00 H new ATOM 0 HD1 TRP A 18 2.595 10.061 8.109 1.00 0.00 H new ATOM 0 HE1 TRP A 18 2.260 10.404 5.567 1.00 0.00 H new ATOM 0 HE3 TRP A 18 6.144 13.661 7.368 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 3.388 12.014 3.553 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 6.461 14.558 5.097 1.00 0.00 H new ATOM 0 HH2 TRP A 18 5.100 13.744 3.216 1.00 0.00 H new ATOM 551 N GLY A 19 7.227 9.990 11.111 1.00 0.00 N ATOM 552 CA GLY A 19 8.670 9.948 11.257 1.00 0.00 C ATOM 553 C GLY A 19 9.188 8.529 11.390 1.00 0.00 C ATOM 554 O GLY A 19 9.890 8.026 10.508 1.00 0.00 O ATOM 0 H GLY A 19 6.704 9.697 11.936 1.00 0.00 H new ATOM 0 HA2 GLY A 19 9.135 10.424 10.394 1.00 0.00 H new ATOM 0 HA3 GLY A 19 8.962 10.524 12.135 1.00 0.00 H new ATOM 558 N GLN A 20 8.834 7.876 12.492 1.00 0.00 N ATOM 559 CA GLN A 20 9.262 6.504 12.731 1.00 0.00 C ATOM 560 C GLN A 20 8.864 5.610 11.565 1.00 0.00 C ATOM 561 O GLN A 20 9.726 5.087 10.858 1.00 0.00 O ATOM 562 CB GLN A 20 8.660 5.975 14.036 1.00 0.00 C ATOM 563 CG GLN A 20 9.703 5.589 15.073 1.00 0.00 C ATOM 564 CD GLN A 20 10.355 6.794 15.720 1.00 0.00 C ATOM 565 OE1 GLN A 20 11.428 7.232 15.305 1.00 0.00 O ATOM 566 NE2 GLN A 20 9.709 7.339 16.744 1.00 0.00 N ATOM 0 H GLN A 20 8.254 8.274 13.231 1.00 0.00 H new ATOM 0 HA GLN A 20 10.348 6.494 12.820 1.00 0.00 H new ATOM 0 HB2 GLN A 20 8.003 6.736 14.458 1.00 0.00 H new ATOM 0 HB3 GLN A 20 8.040 5.106 13.815 1.00 0.00 H new ATOM 0 HG2 GLN A 20 9.235 4.977 15.843 1.00 0.00 H new ATOM 0 HG3 GLN A 20 10.470 4.975 14.601 1.00 0.00 H new ATOM 0 HE21 GLN A 20 8.822 6.944 17.056 1.00 0.00 H new ATOM 0 HE22 GLN A 20 10.100 8.153 17.219 1.00 0.00 H new ATOM 575 N ALA A 21 7.559 5.439 11.352 1.00 0.00 N ATOM 576 CA ALA A 21 7.094 4.609 10.249 1.00 0.00 C ATOM 577 C ALA A 21 7.463 5.194 8.900 1.00 0.00 C ATOM 578 O ALA A 21 7.242 4.583 7.855 1.00 0.00 O ATOM 579 CB ALA A 21 5.609 4.322 10.338 1.00 0.00 C ATOM 0 H ALA A 21 6.820 5.856 11.918 1.00 0.00 H new ATOM 0 HA ALA A 21 7.614 3.655 10.341 1.00 0.00 H new ATOM 0 HB1 ALA A 21 5.307 3.700 9.495 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.395 3.799 11.270 1.00 0.00 H new ATOM 0 HB3 ALA A 21 5.055 5.260 10.313 1.00 0.00 H new ATOM 585 N PHE A 22 8.070 6.354 8.942 1.00 0.00 N ATOM 586 CA PHE A 22 8.536 7.013 7.738 1.00 0.00 C ATOM 587 C PHE A 22 9.738 6.238 7.242 1.00 0.00 C ATOM 588 O PHE A 22 9.894 5.981 6.049 1.00 0.00 O ATOM 589 CB PHE A 22 8.913 8.468 8.018 1.00 0.00 C ATOM 590 CG PHE A 22 8.650 9.389 6.860 1.00 0.00 C ATOM 591 CD1 PHE A 22 7.353 9.677 6.468 1.00 0.00 C ATOM 592 CD2 PHE A 22 9.701 9.964 6.164 1.00 0.00 C ATOM 593 CE1 PHE A 22 7.108 10.523 5.402 1.00 0.00 C ATOM 594 CE2 PHE A 22 9.463 10.811 5.098 1.00 0.00 C ATOM 595 CZ PHE A 22 8.165 11.091 4.717 1.00 0.00 C ATOM 0 H PHE A 22 8.256 6.868 9.803 1.00 0.00 H new ATOM 0 HA PHE A 22 7.747 7.029 6.986 1.00 0.00 H new ATOM 0 HB2 PHE A 22 8.354 8.819 8.885 1.00 0.00 H new ATOM 0 HB3 PHE A 22 9.970 8.517 8.278 1.00 0.00 H new ATOM 0 HD1 PHE A 22 6.524 9.236 7.001 1.00 0.00 H new ATOM 0 HD2 PHE A 22 10.718 9.748 6.458 1.00 0.00 H new ATOM 0 HE1 PHE A 22 6.092 10.739 5.105 1.00 0.00 H new ATOM 0 HE2 PHE A 22 10.291 11.253 4.564 1.00 0.00 H new ATOM 0 HZ PHE A 22 7.977 11.753 3.885 1.00 0.00 H new ATOM 605 N GLN A 23 10.558 5.826 8.203 1.00 0.00 N ATOM 606 CA GLN A 23 11.731 5.022 7.924 1.00 0.00 C ATOM 607 C GLN A 23 11.298 3.586 7.624 1.00 0.00 C ATOM 608 O GLN A 23 12.019 2.828 6.975 1.00 0.00 O ATOM 609 CB GLN A 23 12.685 5.051 9.123 1.00 0.00 C ATOM 610 CG GLN A 23 13.903 5.935 8.909 1.00 0.00 C ATOM 611 CD GLN A 23 14.721 6.116 10.172 1.00 0.00 C ATOM 612 OE1 GLN A 23 15.121 5.143 10.812 1.00 0.00 O ATOM 613 NE2 GLN A 23 14.975 7.367 10.539 1.00 0.00 N ATOM 0 H GLN A 23 10.425 6.041 9.191 1.00 0.00 H new ATOM 0 HA GLN A 23 12.254 5.428 7.058 1.00 0.00 H new ATOM 0 HB2 GLN A 23 12.142 5.401 10.001 1.00 0.00 H new ATOM 0 HB3 GLN A 23 13.017 4.035 9.338 1.00 0.00 H new ATOM 0 HG2 GLN A 23 14.532 5.499 8.133 1.00 0.00 H new ATOM 0 HG3 GLN A 23 13.580 6.911 8.547 1.00 0.00 H new ATOM 0 HE21 GLN A 23 14.624 8.144 9.979 1.00 0.00 H new ATOM 0 HE22 GLN A 23 15.521 7.551 11.381 1.00 0.00 H new ATOM 622 N GLU A 24 10.100 3.229 8.100 1.00 0.00 N ATOM 623 CA GLU A 24 9.546 1.899 7.886 1.00 0.00 C ATOM 624 C GLU A 24 9.258 1.667 6.408 1.00 0.00 C ATOM 625 O GLU A 24 9.706 0.681 5.822 1.00 0.00 O ATOM 626 CB GLU A 24 8.262 1.717 8.698 1.00 0.00 C ATOM 627 CG GLU A 24 8.506 1.253 10.125 1.00 0.00 C ATOM 628 CD GLU A 24 7.304 0.550 10.724 1.00 0.00 C ATOM 629 OE1 GLU A 24 6.164 0.932 10.387 1.00 0.00 O ATOM 630 OE2 GLU A 24 7.503 -0.383 11.530 1.00 0.00 O ATOM 0 H GLU A 24 9.497 3.851 8.638 1.00 0.00 H new ATOM 0 HA GLU A 24 10.283 1.168 8.219 1.00 0.00 H new ATOM 0 HB2 GLU A 24 7.719 2.662 8.720 1.00 0.00 H new ATOM 0 HB3 GLU A 24 7.622 0.993 8.194 1.00 0.00 H new ATOM 0 HG2 GLU A 24 9.362 0.579 10.142 1.00 0.00 H new ATOM 0 HG3 GLU A 24 8.765 2.113 10.743 1.00 0.00 H new ATOM 637 N ARG A 25 8.506 2.587 5.811 1.00 0.00 N ATOM 638 CA ARG A 25 8.152 2.493 4.400 1.00 0.00 C ATOM 639 C ARG A 25 9.395 2.535 3.521 1.00 0.00 C ATOM 640 O ARG A 25 9.415 1.972 2.426 1.00 0.00 O ATOM 641 CB ARG A 25 7.201 3.628 4.016 1.00 0.00 C ATOM 642 CG ARG A 25 5.736 3.306 4.262 1.00 0.00 C ATOM 643 CD ARG A 25 4.821 4.282 3.541 1.00 0.00 C ATOM 644 NE ARG A 25 3.681 3.609 2.922 1.00 0.00 N ATOM 645 CZ ARG A 25 2.593 3.229 3.588 1.00 0.00 C ATOM 646 NH1 ARG A 25 2.493 3.452 4.893 1.00 0.00 N ATOM 647 NH2 ARG A 25 1.603 2.623 2.948 1.00 0.00 N ATOM 0 H ARG A 25 8.129 3.408 6.285 1.00 0.00 H new ATOM 0 HA ARG A 25 7.651 1.538 4.240 1.00 0.00 H new ATOM 0 HB2 ARG A 25 7.468 4.521 4.582 1.00 0.00 H new ATOM 0 HB3 ARG A 25 7.340 3.865 2.961 1.00 0.00 H new ATOM 0 HG2 ARG A 25 5.524 2.291 3.925 1.00 0.00 H new ATOM 0 HG3 ARG A 25 5.531 3.336 5.332 1.00 0.00 H new ATOM 0 HD2 ARG A 25 4.461 5.030 4.247 1.00 0.00 H new ATOM 0 HD3 ARG A 25 5.388 4.813 2.776 1.00 0.00 H new ATOM 0 HE ARG A 25 3.721 3.419 1.921 1.00 0.00 H new ATOM 0 HH11 ARG A 25 3.252 3.917 5.391 1.00 0.00 H new ATOM 0 HH12 ARG A 25 1.657 3.159 5.398 1.00 0.00 H new ATOM 0 HH21 ARG A 25 1.675 2.448 1.946 1.00 0.00 H new ATOM 0 HH22 ARG A 25 0.769 2.332 3.458 1.00 0.00 H new ATOM 661 N TYR A 26 10.429 3.204 4.010 1.00 0.00 N ATOM 662 CA TYR A 26 11.680 3.322 3.274 1.00 0.00 C ATOM 663 C TYR A 26 12.369 1.967 3.159 1.00 0.00 C ATOM 664 O TYR A 26 13.000 1.663 2.147 1.00 0.00 O ATOM 665 CB TYR A 26 12.608 4.328 3.958 1.00 0.00 C ATOM 666 CG TYR A 26 13.231 5.322 3.004 1.00 0.00 C ATOM 667 CD1 TYR A 26 12.481 6.361 2.466 1.00 0.00 C ATOM 668 CD2 TYR A 26 14.568 5.221 2.639 1.00 0.00 C ATOM 669 CE1 TYR A 26 13.046 7.270 1.592 1.00 0.00 C ATOM 670 CE2 TYR A 26 15.140 6.126 1.766 1.00 0.00 C ATOM 671 CZ TYR A 26 14.375 7.149 1.245 1.00 0.00 C ATOM 672 OH TYR A 26 14.941 8.052 0.375 1.00 0.00 O ATOM 0 H TYR A 26 10.427 3.674 4.915 1.00 0.00 H new ATOM 0 HA TYR A 26 11.452 3.680 2.270 1.00 0.00 H new ATOM 0 HB2 TYR A 26 12.046 4.870 4.718 1.00 0.00 H new ATOM 0 HB3 TYR A 26 13.401 3.786 4.474 1.00 0.00 H new ATOM 0 HD1 TYR A 26 11.440 6.460 2.735 1.00 0.00 H new ATOM 0 HD2 TYR A 26 15.170 4.421 3.045 1.00 0.00 H new ATOM 0 HE1 TYR A 26 12.449 8.072 1.183 1.00 0.00 H new ATOM 0 HE2 TYR A 26 16.181 6.033 1.493 1.00 0.00 H new ATOM 0 HH TYR A 26 15.884 7.826 0.236 1.00 0.00 H new ATOM 682 N THR A 27 12.242 1.155 4.203 1.00 0.00 N ATOM 683 CA THR A 27 12.850 -0.170 4.220 1.00 0.00 C ATOM 684 C THR A 27 12.020 -1.156 3.404 1.00 0.00 C ATOM 685 O THR A 27 12.556 -1.904 2.586 1.00 0.00 O ATOM 686 CB THR A 27 12.991 -0.670 5.659 1.00 0.00 C ATOM 687 OG1 THR A 27 13.683 0.277 6.453 1.00 0.00 O ATOM 688 CG2 THR A 27 13.731 -1.986 5.765 1.00 0.00 C ATOM 0 H THR A 27 11.723 1.392 5.049 1.00 0.00 H new ATOM 0 HA THR A 27 13.840 -0.097 3.771 1.00 0.00 H new ATOM 0 HB THR A 27 11.971 -0.815 6.016 1.00 0.00 H new ATOM 0 HG1 THR A 27 13.117 1.066 6.589 1.00 0.00 H new ATOM 0 HG21 THR A 27 13.796 -2.284 6.812 1.00 0.00 H new ATOM 0 HG22 THR A 27 13.195 -2.751 5.203 1.00 0.00 H new ATOM 0 HG23 THR A 27 14.735 -1.873 5.357 1.00 0.00 H new ATOM 696 N ALA A 28 10.711 -1.150 3.630 1.00 0.00 N ATOM 697 CA ALA A 28 9.808 -2.042 2.915 1.00 0.00 C ATOM 698 C ALA A 28 9.791 -1.722 1.424 1.00 0.00 C ATOM 699 O ALA A 28 9.597 -2.607 0.591 1.00 0.00 O ATOM 700 CB ALA A 28 8.404 -1.948 3.493 1.00 0.00 C ATOM 0 H ALA A 28 10.252 -0.537 4.303 1.00 0.00 H new ATOM 0 HA ALA A 28 10.171 -3.062 3.038 1.00 0.00 H new ATOM 0 HB1 ALA A 28 7.741 -2.620 2.949 1.00 0.00 H new ATOM 0 HB2 ALA A 28 8.424 -2.232 4.545 1.00 0.00 H new ATOM 0 HB3 ALA A 28 8.040 -0.925 3.400 1.00 0.00 H new ATOM 706 N GLY A 29 9.996 -0.450 1.095 1.00 0.00 N ATOM 707 CA GLY A 29 10.000 -0.035 -0.295 1.00 0.00 C ATOM 708 C GLY A 29 11.202 -0.563 -1.054 1.00 0.00 C ATOM 709 O GLY A 29 11.054 -1.232 -2.076 1.00 0.00 O ATOM 0 H GLY A 29 10.159 0.300 1.767 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.087 -0.384 -0.778 1.00 0.00 H new ATOM 0 HA3 GLY A 29 9.991 1.054 -0.346 1.00 0.00 H new ATOM 713 N ILE A 30 12.396 -0.262 -0.552 1.00 0.00 N ATOM 714 CA ILE A 30 13.628 -0.711 -1.189 1.00 0.00 C ATOM 715 C ILE A 30 13.676 -2.234 -1.275 1.00 0.00 C ATOM 716 O ILE A 30 14.215 -2.793 -2.230 1.00 0.00 O ATOM 717 CB ILE A 30 14.870 -0.203 -0.429 1.00 0.00 C ATOM 718 CG1 ILE A 30 14.849 1.323 -0.341 1.00 0.00 C ATOM 719 CG2 ILE A 30 16.147 -0.679 -1.108 1.00 0.00 C ATOM 720 CD1 ILE A 30 16.006 1.898 0.446 1.00 0.00 C ATOM 0 H ILE A 30 12.536 0.291 0.294 1.00 0.00 H new ATOM 0 HA ILE A 30 13.638 -0.295 -2.197 1.00 0.00 H new ATOM 0 HB ILE A 30 14.848 -0.611 0.581 1.00 0.00 H new ATOM 0 HG12 ILE A 30 14.864 1.737 -1.349 1.00 0.00 H new ATOM 0 HG13 ILE A 30 13.913 1.640 0.120 1.00 0.00 H new ATOM 0 HG21 ILE A 30 17.012 -0.310 -0.556 1.00 0.00 H new ATOM 0 HG22 ILE A 30 16.166 -1.769 -1.125 1.00 0.00 H new ATOM 0 HG23 ILE A 30 16.179 -0.300 -2.129 1.00 0.00 H new ATOM 0 HD11 ILE A 30 15.927 2.985 0.467 1.00 0.00 H new ATOM 0 HD12 ILE A 30 15.980 1.512 1.465 1.00 0.00 H new ATOM 0 HD13 ILE A 30 16.946 1.612 -0.027 1.00 0.00 H new ATOM 732 N ASN A 31 13.107 -2.899 -0.274 1.00 0.00 N ATOM 733 CA ASN A 31 13.084 -4.358 -0.242 1.00 0.00 C ATOM 734 C ASN A 31 12.448 -4.914 -1.512 1.00 0.00 C ATOM 735 O ASN A 31 13.059 -5.709 -2.227 1.00 0.00 O ATOM 736 CB ASN A 31 12.318 -4.852 0.986 1.00 0.00 C ATOM 737 CG ASN A 31 12.479 -6.343 1.208 1.00 0.00 C ATOM 738 OD1 ASN A 31 11.554 -7.121 0.973 1.00 0.00 O ATOM 739 ND2 ASN A 31 13.658 -6.750 1.664 1.00 0.00 N ATOM 0 H ASN A 31 12.656 -2.452 0.524 1.00 0.00 H new ATOM 0 HA ASN A 31 14.113 -4.714 -0.183 1.00 0.00 H new ATOM 0 HB2 ASN A 31 12.668 -4.316 1.868 1.00 0.00 H new ATOM 0 HB3 ASN A 31 11.260 -4.617 0.869 1.00 0.00 H new ATOM 0 HD21 ASN A 31 13.825 -7.742 1.833 1.00 0.00 H new ATOM 0 HD22 ASN A 31 14.397 -6.071 1.845 1.00 0.00 H new ATOM 746 N SER A 32 11.222 -4.485 -1.790 1.00 0.00 N ATOM 747 CA SER A 32 10.509 -4.934 -2.978 1.00 0.00 C ATOM 748 C SER A 32 11.256 -4.513 -4.239 1.00 0.00 C ATOM 749 O SER A 32 11.236 -5.215 -5.250 1.00 0.00 O ATOM 750 CB SER A 32 9.090 -4.364 -2.995 1.00 0.00 C ATOM 751 OG SER A 32 8.269 -5.065 -3.915 1.00 0.00 O ATOM 0 H SER A 32 10.702 -3.827 -1.209 1.00 0.00 H new ATOM 0 HA SER A 32 10.450 -6.022 -2.953 1.00 0.00 H new ATOM 0 HB2 SER A 32 8.658 -4.426 -1.996 1.00 0.00 H new ATOM 0 HB3 SER A 32 9.122 -3.308 -3.263 1.00 0.00 H new ATOM 0 HG SER A 32 7.367 -4.682 -3.906 1.00 0.00 H new ATOM 757 N PHE A 33 11.917 -3.362 -4.168 1.00 0.00 N ATOM 758 CA PHE A 33 12.675 -2.843 -5.298 1.00 0.00 C ATOM 759 C PHE A 33 13.846 -3.762 -5.631 1.00 0.00 C ATOM 760 O PHE A 33 14.133 -4.022 -6.801 1.00 0.00 O ATOM 761 CB PHE A 33 13.187 -1.434 -4.990 1.00 0.00 C ATOM 762 CG PHE A 33 12.292 -0.344 -5.507 1.00 0.00 C ATOM 763 CD1 PHE A 33 11.996 -0.255 -6.858 1.00 0.00 C ATOM 764 CD2 PHE A 33 11.748 0.592 -4.642 1.00 0.00 C ATOM 765 CE1 PHE A 33 11.173 0.748 -7.336 1.00 0.00 C ATOM 766 CE2 PHE A 33 10.924 1.596 -5.115 1.00 0.00 C ATOM 767 CZ PHE A 33 10.637 1.674 -6.464 1.00 0.00 C ATOM 0 H PHE A 33 11.942 -2.771 -3.337 1.00 0.00 H new ATOM 0 HA PHE A 33 12.012 -2.799 -6.162 1.00 0.00 H new ATOM 0 HB2 PHE A 33 13.295 -1.323 -3.911 1.00 0.00 H new ATOM 0 HB3 PHE A 33 14.180 -1.314 -5.424 1.00 0.00 H new ATOM 0 HD1 PHE A 33 12.413 -0.977 -7.545 1.00 0.00 H new ATOM 0 HD2 PHE A 33 11.970 0.536 -3.587 1.00 0.00 H new ATOM 0 HE1 PHE A 33 10.950 0.807 -8.391 1.00 0.00 H new ATOM 0 HE2 PHE A 33 10.505 2.319 -4.431 1.00 0.00 H new ATOM 0 HZ PHE A 33 9.994 2.458 -6.836 1.00 0.00 H new ATOM 777 N VAL A 34 14.517 -4.255 -4.594 1.00 0.00 N ATOM 778 CA VAL A 34 15.656 -5.147 -4.775 1.00 0.00 C ATOM 779 C VAL A 34 15.276 -6.349 -5.633 1.00 0.00 C ATOM 780 O VAL A 34 15.660 -6.428 -6.795 1.00 0.00 O ATOM 781 CB VAL A 34 16.213 -5.634 -3.421 1.00 0.00 C ATOM 782 CG1 VAL A 34 17.436 -6.518 -3.625 1.00 0.00 C ATOM 783 CG2 VAL A 34 16.545 -4.448 -2.526 1.00 0.00 C ATOM 0 H VAL A 34 14.291 -4.052 -3.620 1.00 0.00 H new ATOM 0 HA VAL A 34 16.433 -4.576 -5.284 1.00 0.00 H new ATOM 0 HB VAL A 34 15.446 -6.231 -2.929 1.00 0.00 H new ATOM 0 HG11 VAL A 34 17.811 -6.849 -2.657 1.00 0.00 H new ATOM 0 HG12 VAL A 34 17.162 -7.386 -4.224 1.00 0.00 H new ATOM 0 HG13 VAL A 34 18.212 -5.952 -4.140 1.00 0.00 H new ATOM 0 HG21 VAL A 34 16.937 -4.808 -1.575 1.00 0.00 H new ATOM 0 HG22 VAL A 34 17.293 -3.823 -3.013 1.00 0.00 H new ATOM 0 HG23 VAL A 34 15.643 -3.862 -2.348 1.00 0.00 H new ATOM 793 N SER A 35 14.536 -7.292 -5.055 1.00 0.00 N ATOM 794 CA SER A 35 14.138 -8.487 -5.769 1.00 0.00 C ATOM 795 C SER A 35 13.559 -8.176 -7.126 1.00 0.00 C ATOM 796 O SER A 35 14.047 -8.689 -8.133 1.00 0.00 O ATOM 797 CB SER A 35 13.131 -9.295 -4.945 1.00 0.00 C ATOM 798 OG SER A 35 11.817 -8.787 -5.108 1.00 0.00 O ATOM 0 H SER A 35 14.203 -7.245 -4.092 1.00 0.00 H new ATOM 0 HA SER A 35 15.040 -9.080 -5.923 1.00 0.00 H new ATOM 0 HB2 SER A 35 13.161 -10.341 -5.251 1.00 0.00 H new ATOM 0 HB3 SER A 35 13.409 -9.263 -3.892 1.00 0.00 H new ATOM 0 HG SER A 35 11.192 -9.320 -4.574 1.00 0.00 H new ATOM 804 N GLY A 36 12.547 -7.330 -7.174 1.00 0.00 N ATOM 805 CA GLY A 36 11.976 -6.978 -8.461 1.00 0.00 C ATOM 806 C GLY A 36 13.066 -6.950 -9.510 1.00 0.00 C ATOM 807 O GLY A 36 12.918 -7.490 -10.606 1.00 0.00 O ATOM 0 H GLY A 36 12.114 -6.885 -6.364 1.00 0.00 H new ATOM 0 HA2 GLY A 36 11.208 -7.700 -8.739 1.00 0.00 H new ATOM 0 HA3 GLY A 36 11.491 -6.004 -8.401 1.00 0.00 H new ATOM 811 N VAL A 37 14.189 -6.346 -9.126 1.00 0.00 N ATOM 812 CA VAL A 37 15.357 -6.262 -9.966 1.00 0.00 C ATOM 813 C VAL A 37 16.311 -7.441 -9.736 1.00 0.00 C ATOM 814 O VAL A 37 16.475 -8.307 -10.595 1.00 0.00 O ATOM 815 CB VAL A 37 16.118 -4.942 -9.726 1.00 0.00 C ATOM 816 CG1 VAL A 37 17.324 -4.836 -10.649 1.00 0.00 C ATOM 817 CG2 VAL A 37 15.190 -3.751 -9.914 1.00 0.00 C ATOM 0 H VAL A 37 14.303 -5.902 -8.215 1.00 0.00 H new ATOM 0 HA VAL A 37 15.003 -6.296 -10.997 1.00 0.00 H new ATOM 0 HB VAL A 37 16.479 -4.938 -8.698 1.00 0.00 H new ATOM 0 HG11 VAL A 37 17.845 -3.897 -10.461 1.00 0.00 H new ATOM 0 HG12 VAL A 37 18.000 -5.670 -10.461 1.00 0.00 H new ATOM 0 HG13 VAL A 37 16.992 -4.865 -11.687 1.00 0.00 H new ATOM 0 HG21 VAL A 37 15.743 -2.828 -9.741 1.00 0.00 H new ATOM 0 HG22 VAL A 37 14.797 -3.753 -10.931 1.00 0.00 H new ATOM 0 HG23 VAL A 37 14.364 -3.818 -9.205 1.00 0.00 H new ATOM 827 N ALA A 38 16.971 -7.423 -8.572 1.00 0.00 N ATOM 828 CA ALA A 38 17.954 -8.429 -8.200 1.00 0.00 C ATOM 829 C ALA A 38 17.365 -9.698 -7.602 1.00 0.00 C ATOM 830 O ALA A 38 17.353 -10.762 -8.222 1.00 0.00 O ATOM 831 CB ALA A 38 18.955 -7.829 -7.219 1.00 0.00 C ATOM 0 H ALA A 38 16.832 -6.703 -7.863 1.00 0.00 H new ATOM 0 HA ALA A 38 18.438 -8.728 -9.130 1.00 0.00 H new ATOM 0 HB1 ALA A 38 19.690 -8.584 -6.942 1.00 0.00 H new ATOM 0 HB2 ALA A 38 19.461 -6.984 -7.687 1.00 0.00 H new ATOM 0 HB3 ALA A 38 18.430 -7.489 -6.326 1.00 0.00 H new ATOM 837 N SER A 39 16.945 -9.565 -6.352 1.00 0.00 N ATOM 838 CA SER A 39 16.416 -10.663 -5.558 1.00 0.00 C ATOM 839 C SER A 39 15.132 -11.282 -6.120 1.00 0.00 C ATOM 840 O SER A 39 14.536 -12.153 -5.486 1.00 0.00 O ATOM 841 CB SER A 39 16.210 -10.161 -4.134 1.00 0.00 C ATOM 842 OG SER A 39 16.635 -11.124 -3.184 1.00 0.00 O ATOM 0 H SER A 39 16.963 -8.675 -5.853 1.00 0.00 H new ATOM 0 HA SER A 39 17.143 -11.475 -5.584 1.00 0.00 H new ATOM 0 HB2 SER A 39 16.764 -9.234 -3.989 1.00 0.00 H new ATOM 0 HB3 SER A 39 15.156 -9.931 -3.976 1.00 0.00 H new ATOM 0 HG SER A 39 16.493 -10.776 -2.279 1.00 0.00 H new ATOM 848 N GLY A 40 14.702 -10.838 -7.298 1.00 0.00 N ATOM 849 CA GLY A 40 13.491 -11.374 -7.892 1.00 0.00 C ATOM 850 C GLY A 40 13.739 -12.016 -9.242 1.00 0.00 C ATOM 851 O GLY A 40 13.328 -13.152 -9.481 1.00 0.00 O ATOM 0 H GLY A 40 15.169 -10.119 -7.850 1.00 0.00 H new ATOM 0 HA2 GLY A 40 13.056 -12.111 -7.218 1.00 0.00 H new ATOM 0 HA3 GLY A 40 12.760 -10.573 -8.003 1.00 0.00 H new ATOM 855 N ALA A 41 14.409 -11.288 -10.130 1.00 0.00 N ATOM 856 CA ALA A 41 14.708 -11.792 -11.466 1.00 0.00 C ATOM 857 C ALA A 41 13.440 -12.265 -12.172 1.00 0.00 C ATOM 858 O ALA A 41 13.448 -13.276 -12.874 1.00 0.00 O ATOM 859 CB ALA A 41 15.724 -12.922 -11.390 1.00 0.00 C ATOM 0 H ALA A 41 14.756 -10.346 -9.948 1.00 0.00 H new ATOM 0 HA ALA A 41 15.133 -10.974 -12.048 1.00 0.00 H new ATOM 0 HB1 ALA A 41 15.937 -13.288 -12.394 1.00 0.00 H new ATOM 0 HB2 ALA A 41 16.644 -12.554 -10.935 1.00 0.00 H new ATOM 0 HB3 ALA A 41 15.320 -13.735 -10.786 1.00 0.00 H new ATOM 865 N GLY A 42 12.351 -11.528 -11.978 1.00 0.00 N ATOM 866 CA GLY A 42 11.091 -11.889 -12.600 1.00 0.00 C ATOM 867 C GLY A 42 10.291 -10.678 -13.042 1.00 0.00 C ATOM 868 O GLY A 42 9.061 -10.702 -13.030 1.00 0.00 O ATOM 0 H GLY A 42 12.319 -10.687 -11.401 1.00 0.00 H new ATOM 0 HA2 GLY A 42 11.285 -12.526 -13.463 1.00 0.00 H new ATOM 0 HA3 GLY A 42 10.498 -12.475 -11.898 1.00 0.00 H new ATOM 872 N SER A 43 10.991 -9.618 -13.432 1.00 0.00 N ATOM 873 CA SER A 43 10.336 -8.394 -13.880 1.00 0.00 C ATOM 874 C SER A 43 10.340 -8.292 -15.403 1.00 0.00 C ATOM 875 O SER A 43 9.518 -7.586 -15.987 1.00 0.00 O ATOM 876 CB SER A 43 11.024 -7.171 -13.271 1.00 0.00 C ATOM 877 OG SER A 43 12.388 -7.111 -13.650 1.00 0.00 O ATOM 0 H SER A 43 12.010 -9.581 -13.447 1.00 0.00 H new ATOM 0 HA SER A 43 9.300 -8.425 -13.544 1.00 0.00 H new ATOM 0 HB2 SER A 43 10.513 -6.264 -13.595 1.00 0.00 H new ATOM 0 HB3 SER A 43 10.947 -7.210 -12.184 1.00 0.00 H new ATOM 0 HG SER A 43 12.953 -7.237 -12.859 1.00 0.00 H new ATOM 883 N ILE A 44 11.271 -9.003 -16.036 1.00 0.00 N ATOM 884 CA ILE A 44 11.393 -9.004 -17.494 1.00 0.00 C ATOM 885 C ILE A 44 11.248 -7.597 -18.075 1.00 0.00 C ATOM 886 O ILE A 44 10.535 -7.386 -19.056 1.00 0.00 O ATOM 887 CB ILE A 44 10.351 -9.941 -18.144 1.00 0.00 C ATOM 888 CG1 ILE A 44 10.598 -10.052 -19.651 1.00 0.00 C ATOM 889 CG2 ILE A 44 8.936 -9.452 -17.864 1.00 0.00 C ATOM 890 CD1 ILE A 44 11.189 -11.380 -20.069 1.00 0.00 C ATOM 0 H ILE A 44 11.956 -9.589 -15.559 1.00 0.00 H new ATOM 0 HA ILE A 44 12.393 -9.372 -17.724 1.00 0.00 H new ATOM 0 HB ILE A 44 10.459 -10.932 -17.704 1.00 0.00 H new ATOM 0 HG12 ILE A 44 9.656 -9.901 -20.178 1.00 0.00 H new ATOM 0 HG13 ILE A 44 11.269 -9.251 -19.961 1.00 0.00 H new ATOM 0 HG21 ILE A 44 8.219 -10.127 -18.331 1.00 0.00 H new ATOM 0 HG22 ILE A 44 8.765 -9.429 -16.788 1.00 0.00 H new ATOM 0 HG23 ILE A 44 8.810 -8.449 -18.273 1.00 0.00 H new ATOM 0 HD11 ILE A 44 11.337 -11.388 -21.149 1.00 0.00 H new ATOM 0 HD12 ILE A 44 12.147 -11.525 -19.570 1.00 0.00 H new ATOM 0 HD13 ILE A 44 10.509 -12.185 -19.790 1.00 0.00 H new ATOM 902 N GLY A 45 11.932 -6.638 -17.461 1.00 0.00 N ATOM 903 CA GLY A 45 11.868 -5.265 -17.929 1.00 0.00 C ATOM 904 C GLY A 45 13.191 -4.781 -18.490 1.00 0.00 C ATOM 905 O GLY A 45 13.499 -3.591 -18.426 1.00 0.00 O ATOM 0 H GLY A 45 12.530 -6.786 -16.648 1.00 0.00 H new ATOM 0 HA2 GLY A 45 11.099 -5.182 -18.697 1.00 0.00 H new ATOM 0 HA3 GLY A 45 11.567 -4.617 -17.105 1.00 0.00 H new ATOM 909 N ARG A 46 13.973 -5.707 -19.042 1.00 0.00 N ATOM 910 CA ARG A 46 15.276 -5.382 -19.623 1.00 0.00 C ATOM 911 C ARG A 46 16.057 -4.414 -18.735 1.00 0.00 C ATOM 912 O ARG A 46 16.719 -4.887 -17.787 1.00 0.00 O ATOM 913 CB ARG A 46 15.109 -4.789 -21.026 1.00 0.00 C ATOM 914 CG ARG A 46 14.051 -3.699 -21.113 1.00 0.00 C ATOM 915 CD ARG A 46 13.984 -3.098 -22.507 1.00 0.00 C ATOM 916 NE ARG A 46 12.734 -2.377 -22.732 1.00 0.00 N ATOM 917 CZ ARG A 46 12.499 -1.143 -22.291 1.00 0.00 C ATOM 918 NH1 ARG A 46 13.428 -0.487 -21.606 1.00 0.00 N ATOM 919 NH2 ARG A 46 11.333 -0.562 -22.537 1.00 0.00 N ATOM 920 OXT ARG A 46 16.001 -3.194 -18.996 1.00 0.00 O ATOM 0 H ARG A 46 13.725 -6.695 -19.100 1.00 0.00 H new ATOM 0 HA ARG A 46 15.844 -6.310 -19.696 1.00 0.00 H new ATOM 0 HB2 ARG A 46 16.065 -4.381 -21.353 1.00 0.00 H new ATOM 0 HB3 ARG A 46 14.850 -5.589 -21.719 1.00 0.00 H new ATOM 0 HG2 ARG A 46 13.078 -4.113 -20.847 1.00 0.00 H new ATOM 0 HG3 ARG A 46 14.274 -2.916 -20.388 1.00 0.00 H new ATOM 0 HD2 ARG A 46 14.825 -2.419 -22.650 1.00 0.00 H new ATOM 0 HD3 ARG A 46 14.084 -3.890 -23.249 1.00 0.00 H new ATOM 0 HE ARG A 46 11.997 -2.847 -23.258 1.00 0.00 H new ATOM 0 HH11 ARG A 46 14.328 -0.928 -21.415 1.00 0.00 H new ATOM 0 HH12 ARG A 46 13.242 0.458 -21.271 1.00 0.00 H new ATOM 0 HH21 ARG A 46 10.616 -1.060 -23.064 1.00 0.00 H new ATOM 0 HH22 ARG A 46 11.153 0.383 -22.199 1.00 0.00 H new TER 934 ARG A 46