USER MOD reduce.3.24.130724 H: found=0, std=0, add=481, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 481 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 33 ASN : amide:sc= -0.806 K(o=-0.86,f=-1.5) USER MOD Set 1.2: A 35 MET CE :methyl -156:sc= -0.0559 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -158:sc= 0.339 (180deg=0.00767) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= -8.38! K(o=-8.4!,f=-2.7) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.838 K(o=-0.84,f=-0.035) USER MOD Single : A 20 ASN : amide:sc= -0.1 K(o=-0.1,f=-0.9) USER MOD Single : A 24 GLN : amide:sc= -0.184 K(o=-0.18,f=-1.6!) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 CYS SG : rot -28:sc= 0.0608 USER MOD Single : A 31 SER OG : rot 97:sc= 0.347 USER MOD Single : A 36 ASN : amide:sc= -14.5! C(o=-15!,f=-5.8!) USER MOD Single : A 38 MET CE :methyl 180:sc= -0.117 (180deg=-0.117) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot -117:sc= 0.0756 USER MOD Single : A 41 GLN : amide:sc= -5.78! C(o=-5.8!,f=-13!) USER MOD Single : A 42 ASN : amide:sc= -2.71! C(o=-2.7!,f=-8.3!) USER MOD Single : A 44 LYS NZ :NH3+ 164:sc= -0.0191 (180deg=-0.315) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -5.37! C(o=-5.4!,f=-2.3!) USER MOD Single : A 52 LYS NZ :NH3+ -161:sc= -0.446 (180deg=-1.21) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.0244 K(o=-0.024,f=-1) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -12.784 -0.347 0.787 1.00 0.00 N ATOM 2 CA PRO A 1 -14.069 -0.688 1.453 1.00 0.00 C ATOM 3 C PRO A 1 -13.952 -0.404 2.954 1.00 0.00 C ATOM 4 O PRO A 1 -12.890 -0.503 3.533 1.00 0.00 O ATOM 5 CB PRO A 1 -14.347 -2.185 1.209 1.00 0.00 C ATOM 6 CG PRO A 1 -12.993 -2.777 0.922 1.00 0.00 C ATOM 7 CD PRO A 1 -12.135 -1.620 0.383 1.00 0.00 C ATOM 0 H2 PRO A 1 -12.180 0.177 1.420 1.00 0.00 H new ATOM 0 H3 PRO A 1 -12.949 0.245 -0.027 1.00 0.00 H new ATOM 0 HA PRO A 1 -14.887 -0.090 1.051 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -14.807 -2.651 2.080 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -15.030 -2.331 0.372 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -12.553 -3.203 1.824 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -13.066 -3.583 0.192 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -11.123 -1.676 0.783 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -12.052 -1.679 -0.702 1.00 0.00 H new ATOM 17 N GLU A 2 -15.036 -0.057 3.588 1.00 0.00 N ATOM 18 CA GLU A 2 -14.985 0.229 5.050 1.00 0.00 C ATOM 19 C GLU A 2 -14.450 -0.998 5.792 1.00 0.00 C ATOM 20 O GLU A 2 -13.888 -0.891 6.863 1.00 0.00 O ATOM 21 CB GLU A 2 -16.393 0.557 5.557 1.00 0.00 C ATOM 22 CG GLU A 2 -16.952 1.760 4.790 1.00 0.00 C ATOM 23 CD GLU A 2 -16.154 3.015 5.149 1.00 0.00 C ATOM 24 OE1 GLU A 2 -15.716 3.111 6.284 1.00 0.00 O ATOM 25 OE2 GLU A 2 -15.994 3.860 4.284 1.00 0.00 O ATOM 0 H GLU A 2 -15.956 0.041 3.158 1.00 0.00 H new ATOM 0 HA GLU A 2 -14.327 1.079 5.230 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -17.047 -0.305 5.426 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -16.364 0.776 6.624 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -16.897 1.577 3.717 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -18.004 1.903 5.036 1.00 0.00 H new ATOM 32 N GLU A 3 -14.623 -2.163 5.231 1.00 0.00 N ATOM 33 CA GLU A 3 -14.130 -3.397 5.904 1.00 0.00 C ATOM 34 C GLU A 3 -12.602 -3.360 6.008 1.00 0.00 C ATOM 35 O GLU A 3 -12.043 -3.434 7.083 1.00 0.00 O ATOM 36 CB GLU A 3 -14.558 -4.623 5.091 1.00 0.00 C ATOM 37 CG GLU A 3 -14.072 -5.901 5.785 1.00 0.00 C ATOM 38 CD GLU A 3 -14.707 -7.122 5.116 1.00 0.00 C ATOM 39 OE1 GLU A 3 -15.076 -7.014 3.958 1.00 0.00 O ATOM 40 OE2 GLU A 3 -14.812 -8.145 5.773 1.00 0.00 O ATOM 0 H GLU A 3 -15.085 -2.314 4.334 1.00 0.00 H new ATOM 0 HA GLU A 3 -14.554 -3.454 6.906 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -15.643 -4.643 4.990 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -14.145 -4.565 4.084 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -12.985 -5.967 5.728 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -14.335 -5.875 6.842 1.00 0.00 H new ATOM 47 N VAL A 4 -11.921 -3.257 4.899 1.00 0.00 N ATOM 48 CA VAL A 4 -10.428 -3.226 4.938 1.00 0.00 C ATOM 49 C VAL A 4 -9.949 -1.857 5.414 1.00 0.00 C ATOM 50 O VAL A 4 -9.122 -1.756 6.292 1.00 0.00 O ATOM 51 CB VAL A 4 -9.880 -3.506 3.539 1.00 0.00 C ATOM 52 CG1 VAL A 4 -8.347 -3.470 3.562 1.00 0.00 C ATOM 53 CG2 VAL A 4 -10.352 -4.889 3.096 1.00 0.00 C ATOM 0 H VAL A 4 -12.332 -3.193 3.968 1.00 0.00 H new ATOM 0 HA VAL A 4 -10.068 -3.988 5.630 1.00 0.00 H new ATOM 0 HB VAL A 4 -10.240 -2.747 2.844 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -7.963 -3.670 2.562 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -8.011 -2.486 3.889 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -7.976 -4.228 4.252 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -9.968 -5.102 2.098 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -9.984 -5.640 3.795 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -11.442 -4.913 3.078 1.00 0.00 H new ATOM 63 N ILE A 5 -10.459 -0.800 4.844 1.00 0.00 N ATOM 64 CA ILE A 5 -10.019 0.562 5.263 1.00 0.00 C ATOM 65 C ILE A 5 -10.098 0.677 6.784 1.00 0.00 C ATOM 66 O ILE A 5 -9.404 1.468 7.392 1.00 0.00 O ATOM 67 CB ILE A 5 -10.929 1.613 4.621 1.00 0.00 C ATOM 68 CG1 ILE A 5 -10.775 1.548 3.094 1.00 0.00 C ATOM 69 CG2 ILE A 5 -10.534 3.009 5.127 1.00 0.00 C ATOM 70 CD1 ILE A 5 -11.860 2.398 2.426 1.00 0.00 C ATOM 0 H ILE A 5 -11.162 -0.820 4.105 1.00 0.00 H new ATOM 0 HA ILE A 5 -8.991 0.728 4.940 1.00 0.00 H new ATOM 0 HB ILE A 5 -11.967 1.417 4.889 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -9.788 1.908 2.803 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -10.850 0.515 2.755 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -11.181 3.758 4.671 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -10.643 3.047 6.211 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -9.497 3.213 4.859 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -11.746 2.348 1.343 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -12.843 2.018 2.705 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -11.764 3.433 2.754 1.00 0.00 H new ATOM 82 N SER A 6 -10.921 -0.116 7.403 1.00 0.00 N ATOM 83 CA SER A 6 -11.020 -0.059 8.884 1.00 0.00 C ATOM 84 C SER A 6 -9.725 -0.607 9.483 1.00 0.00 C ATOM 85 O SER A 6 -9.242 -0.124 10.485 1.00 0.00 O ATOM 86 CB SER A 6 -12.202 -0.904 9.360 1.00 0.00 C ATOM 87 OG SER A 6 -12.137 -1.048 10.773 1.00 0.00 O ATOM 0 H SER A 6 -11.528 -0.799 6.950 1.00 0.00 H new ATOM 0 HA SER A 6 -11.173 0.972 9.203 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.141 -0.430 9.074 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.180 -1.883 8.882 1.00 0.00 H new ATOM 0 HG SER A 6 -12.894 -1.588 11.082 1.00 0.00 H new ATOM 93 N LYS A 7 -9.163 -1.624 8.878 1.00 0.00 N ATOM 94 CA LYS A 7 -7.897 -2.213 9.419 1.00 0.00 C ATOM 95 C LYS A 7 -6.705 -1.288 9.120 1.00 0.00 C ATOM 96 O LYS A 7 -5.740 -1.251 9.856 1.00 0.00 O ATOM 97 CB LYS A 7 -7.688 -3.633 8.826 1.00 0.00 C ATOM 98 CG LYS A 7 -6.933 -3.607 7.465 1.00 0.00 C ATOM 99 CD LYS A 7 -5.413 -3.810 7.674 1.00 0.00 C ATOM 100 CE LYS A 7 -5.083 -5.308 7.762 1.00 0.00 C ATOM 101 NZ LYS A 7 -3.677 -5.479 8.226 1.00 0.00 N ATOM 0 H LYS A 7 -9.524 -2.071 8.035 1.00 0.00 H new ATOM 0 HA LYS A 7 -7.971 -2.306 10.503 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -7.128 -4.241 9.537 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -8.657 -4.113 8.691 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -7.322 -4.389 6.813 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -7.112 -2.656 6.963 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.862 -3.357 6.850 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.094 -3.306 8.586 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -5.768 -5.803 8.451 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -5.216 -5.779 6.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -3.329 -6.417 7.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -3.079 -4.743 7.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -3.641 -5.397 9.262 1.00 0.00 H new ATOM 115 N ILE A 8 -6.759 -0.552 8.040 1.00 0.00 N ATOM 116 CA ILE A 8 -5.621 0.353 7.694 1.00 0.00 C ATOM 117 C ILE A 8 -5.481 1.434 8.774 1.00 0.00 C ATOM 118 O ILE A 8 -4.449 2.062 8.904 1.00 0.00 O ATOM 119 CB ILE A 8 -5.869 1.033 6.328 1.00 0.00 C ATOM 120 CG1 ILE A 8 -6.383 0.019 5.277 1.00 0.00 C ATOM 121 CG2 ILE A 8 -4.575 1.688 5.829 1.00 0.00 C ATOM 122 CD1 ILE A 8 -5.278 -0.938 4.821 1.00 0.00 C ATOM 0 H ILE A 8 -7.540 -0.538 7.384 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.708 -0.239 7.637 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.636 1.795 6.466 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -7.209 -0.554 5.699 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.776 0.557 4.415 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -4.757 2.165 4.866 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -4.245 2.437 6.549 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.802 0.928 5.717 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -5.680 -1.633 4.084 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -4.463 -0.367 4.375 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -4.903 -1.496 5.679 1.00 0.00 H new ATOM 134 N MET A 9 -6.511 1.664 9.541 1.00 0.00 N ATOM 135 CA MET A 9 -6.432 2.712 10.600 1.00 0.00 C ATOM 136 C MET A 9 -5.324 2.355 11.596 1.00 0.00 C ATOM 137 O MET A 9 -4.868 3.186 12.357 1.00 0.00 O ATOM 138 CB MET A 9 -7.788 2.810 11.326 1.00 0.00 C ATOM 139 CG MET A 9 -7.950 1.657 12.334 1.00 0.00 C ATOM 140 SD MET A 9 -9.705 1.438 12.726 1.00 0.00 S ATOM 141 CE MET A 9 -9.832 2.758 13.958 1.00 0.00 C ATOM 0 H MET A 9 -7.403 1.173 9.481 1.00 0.00 H new ATOM 0 HA MET A 9 -6.200 3.675 10.145 1.00 0.00 H new ATOM 0 HB2 MET A 9 -7.860 3.766 11.845 1.00 0.00 H new ATOM 0 HB3 MET A 9 -8.599 2.780 10.598 1.00 0.00 H new ATOM 0 HG2 MET A 9 -7.542 0.736 11.918 1.00 0.00 H new ATOM 0 HG3 MET A 9 -7.388 1.873 13.243 1.00 0.00 H new ATOM 0 HE1 MET A 9 -10.852 2.802 14.340 1.00 0.00 H new ATOM 0 HE2 MET A 9 -9.145 2.556 14.780 1.00 0.00 H new ATOM 0 HE3 MET A 9 -9.576 3.712 13.497 1.00 0.00 H new ATOM 151 N GLU A 10 -4.893 1.124 11.602 1.00 0.00 N ATOM 152 CA GLU A 10 -3.822 0.714 12.553 1.00 0.00 C ATOM 153 C GLU A 10 -2.588 1.597 12.359 1.00 0.00 C ATOM 154 O GLU A 10 -1.771 1.744 13.246 1.00 0.00 O ATOM 155 CB GLU A 10 -3.455 -0.753 12.302 1.00 0.00 C ATOM 156 CG GLU A 10 -2.820 -0.916 10.914 1.00 0.00 C ATOM 157 CD GLU A 10 -2.620 -2.404 10.624 1.00 0.00 C ATOM 158 OE1 GLU A 10 -3.612 -3.093 10.452 1.00 0.00 O ATOM 159 OE2 GLU A 10 -1.478 -2.832 10.585 1.00 0.00 O ATOM 0 H GLU A 10 -5.236 0.384 10.989 1.00 0.00 H new ATOM 0 HA GLU A 10 -4.182 0.829 13.575 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.761 -1.097 13.069 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -4.347 -1.375 12.376 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -3.459 -0.468 10.154 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -1.864 -0.394 10.875 1.00 0.00 H new ATOM 166 N ASN A 11 -2.445 2.174 11.195 1.00 0.00 N ATOM 167 CA ASN A 11 -1.264 3.044 10.913 1.00 0.00 C ATOM 168 C ASN A 11 -1.701 4.212 10.018 1.00 0.00 C ATOM 169 O ASN A 11 -1.693 4.095 8.809 1.00 0.00 O ATOM 170 CB ASN A 11 -0.202 2.219 10.177 1.00 0.00 C ATOM 171 CG ASN A 11 1.076 3.046 10.013 1.00 0.00 C ATOM 172 OD1 ASN A 11 2.092 2.534 9.587 1.00 0.00 O ATOM 173 ND2 ASN A 11 1.071 4.311 10.335 1.00 0.00 N ATOM 0 H ASN A 11 -3.102 2.079 10.420 1.00 0.00 H new ATOM 0 HA ASN A 11 -0.855 3.428 11.847 1.00 0.00 H new ATOM 0 HB2 ASN A 11 0.013 1.307 10.734 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -0.577 1.915 9.200 1.00 0.00 H new ATOM 0 HD21 ASN A 11 1.919 4.868 10.229 1.00 0.00 H new ATOM 0 HD22 ASN A 11 0.219 4.743 10.693 1.00 0.00 H new ATOM 180 N PRO A 12 -2.084 5.332 10.592 1.00 0.00 N ATOM 181 CA PRO A 12 -2.526 6.519 9.801 1.00 0.00 C ATOM 182 C PRO A 12 -1.567 6.825 8.643 1.00 0.00 C ATOM 183 O PRO A 12 -1.859 7.618 7.771 1.00 0.00 O ATOM 184 CB PRO A 12 -2.531 7.653 10.836 1.00 0.00 C ATOM 185 CG PRO A 12 -2.838 6.968 12.128 1.00 0.00 C ATOM 186 CD PRO A 12 -2.144 5.602 12.045 1.00 0.00 C ATOM 0 HA PRO A 12 -3.496 6.368 9.327 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -1.568 8.162 10.874 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -3.281 8.407 10.597 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -2.468 7.545 12.975 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -3.913 6.854 12.265 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -1.149 5.630 12.489 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -2.708 4.833 12.573 1.00 0.00 H new ATOM 194 N ASP A 13 -0.426 6.194 8.632 1.00 0.00 N ATOM 195 CA ASP A 13 0.557 6.433 7.538 1.00 0.00 C ATOM 196 C ASP A 13 0.041 5.807 6.241 1.00 0.00 C ATOM 197 O ASP A 13 0.073 6.419 5.192 1.00 0.00 O ATOM 198 CB ASP A 13 1.898 5.798 7.912 1.00 0.00 C ATOM 199 CG ASP A 13 2.942 6.148 6.850 1.00 0.00 C ATOM 200 OD1 ASP A 13 2.797 5.685 5.731 1.00 0.00 O ATOM 201 OD2 ASP A 13 3.868 6.872 7.174 1.00 0.00 O ATOM 0 H ASP A 13 -0.130 5.519 9.338 1.00 0.00 H new ATOM 0 HA ASP A 13 0.688 7.506 7.395 1.00 0.00 H new ATOM 0 HB2 ASP A 13 2.223 6.157 8.889 1.00 0.00 H new ATOM 0 HB3 ASP A 13 1.791 4.716 7.990 1.00 0.00 H new ATOM 206 N VAL A 14 -0.437 4.591 6.301 1.00 0.00 N ATOM 207 CA VAL A 14 -0.953 3.929 5.074 1.00 0.00 C ATOM 208 C VAL A 14 -2.324 4.503 4.742 1.00 0.00 C ATOM 209 O VAL A 14 -2.671 4.699 3.594 1.00 0.00 O ATOM 210 CB VAL A 14 -1.066 2.431 5.344 1.00 0.00 C ATOM 211 CG1 VAL A 14 -1.537 1.715 4.081 1.00 0.00 C ATOM 212 CG2 VAL A 14 0.304 1.893 5.767 1.00 0.00 C ATOM 0 H VAL A 14 -0.491 4.030 7.151 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.281 4.100 4.233 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.788 2.255 6.141 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.617 0.646 4.277 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.512 2.103 3.785 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.820 1.884 3.278 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.230 0.823 5.962 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.026 2.068 4.969 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.632 2.405 6.672 1.00 0.00 H new ATOM 222 N ALA A 15 -3.102 4.781 5.743 1.00 0.00 N ATOM 223 CA ALA A 15 -4.450 5.351 5.505 1.00 0.00 C ATOM 224 C ALA A 15 -4.308 6.726 4.848 1.00 0.00 C ATOM 225 O ALA A 15 -5.067 7.092 3.973 1.00 0.00 O ATOM 226 CB ALA A 15 -5.162 5.492 6.845 1.00 0.00 C ATOM 0 H ALA A 15 -2.860 4.637 6.723 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.025 4.698 4.848 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.156 5.910 6.687 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.251 4.512 7.314 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.589 6.154 7.494 1.00 0.00 H new ATOM 232 N MET A 16 -3.331 7.486 5.263 1.00 0.00 N ATOM 233 CA MET A 16 -3.122 8.833 4.665 1.00 0.00 C ATOM 234 C MET A 16 -2.502 8.653 3.285 1.00 0.00 C ATOM 235 O MET A 16 -2.788 9.383 2.358 1.00 0.00 O ATOM 236 CB MET A 16 -2.170 9.640 5.554 1.00 0.00 C ATOM 237 CG MET A 16 -2.909 10.133 6.804 1.00 0.00 C ATOM 238 SD MET A 16 -4.045 11.465 6.346 1.00 0.00 S ATOM 239 CE MET A 16 -4.821 11.670 7.968 1.00 0.00 C ATOM 0 H MET A 16 -2.667 7.230 5.993 1.00 0.00 H new ATOM 0 HA MET A 16 -4.071 9.363 4.584 1.00 0.00 H new ATOM 0 HB2 MET A 16 -1.320 9.023 5.844 1.00 0.00 H new ATOM 0 HB3 MET A 16 -1.773 10.489 4.998 1.00 0.00 H new ATOM 0 HG2 MET A 16 -3.460 9.311 7.261 1.00 0.00 H new ATOM 0 HG3 MET A 16 -2.194 10.489 7.546 1.00 0.00 H new ATOM 0 HE1 MET A 16 -5.571 12.459 7.915 1.00 0.00 H new ATOM 0 HE2 MET A 16 -5.297 10.735 8.264 1.00 0.00 H new ATOM 0 HE3 MET A 16 -4.062 11.939 8.703 1.00 0.00 H new ATOM 249 N ALA A 17 -1.661 7.669 3.146 1.00 0.00 N ATOM 250 CA ALA A 17 -1.024 7.417 1.831 1.00 0.00 C ATOM 251 C ALA A 17 -2.089 6.869 0.892 1.00 0.00 C ATOM 252 O ALA A 17 -2.110 7.153 -0.285 1.00 0.00 O ATOM 253 CB ALA A 17 0.092 6.391 2.001 1.00 0.00 C ATOM 0 H ALA A 17 -1.388 7.027 3.890 1.00 0.00 H new ATOM 0 HA ALA A 17 -0.600 8.336 1.425 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.563 6.203 1.036 1.00 0.00 H new ATOM 0 HB2 ALA A 17 0.836 6.775 2.699 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.324 5.461 2.389 1.00 0.00 H new ATOM 259 N PHE A 18 -2.993 6.096 1.421 1.00 0.00 N ATOM 260 CA PHE A 18 -4.086 5.535 0.581 1.00 0.00 C ATOM 261 C PHE A 18 -4.778 6.690 -0.164 1.00 0.00 C ATOM 262 O PHE A 18 -5.478 6.485 -1.137 1.00 0.00 O ATOM 263 CB PHE A 18 -5.096 4.827 1.509 1.00 0.00 C ATOM 264 CG PHE A 18 -4.902 3.318 1.499 1.00 0.00 C ATOM 265 CD1 PHE A 18 -3.613 2.770 1.509 1.00 0.00 C ATOM 266 CD2 PHE A 18 -6.020 2.469 1.492 1.00 0.00 C ATOM 267 CE1 PHE A 18 -3.443 1.380 1.509 1.00 0.00 C ATOM 268 CE2 PHE A 18 -5.847 1.081 1.493 1.00 0.00 C ATOM 269 CZ PHE A 18 -4.559 0.536 1.501 1.00 0.00 C ATOM 0 H PHE A 18 -3.022 5.827 2.404 1.00 0.00 H new ATOM 0 HA PHE A 18 -3.693 4.823 -0.144 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.982 5.202 2.526 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -6.111 5.066 1.193 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -2.750 3.420 1.517 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -7.015 2.888 1.486 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.449 0.959 1.515 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -6.709 0.430 1.488 1.00 0.00 H new ATOM 0 HZ PHE A 18 -4.426 -0.536 1.501 1.00 0.00 H new ATOM 279 N GLN A 19 -4.591 7.900 0.298 1.00 0.00 N ATOM 280 CA GLN A 19 -5.238 9.075 -0.363 1.00 0.00 C ATOM 281 C GLN A 19 -4.342 9.605 -1.487 1.00 0.00 C ATOM 282 O GLN A 19 -4.464 10.743 -1.897 1.00 0.00 O ATOM 283 CB GLN A 19 -5.454 10.180 0.673 1.00 0.00 C ATOM 284 CG GLN A 19 -6.324 9.648 1.813 1.00 0.00 C ATOM 285 CD GLN A 19 -6.623 10.780 2.798 1.00 0.00 C ATOM 286 OE1 GLN A 19 -7.152 11.806 2.420 1.00 0.00 O ATOM 287 NE2 GLN A 19 -6.303 10.636 4.055 1.00 0.00 N ATOM 0 H GLN A 19 -4.015 8.126 1.109 1.00 0.00 H new ATOM 0 HA GLN A 19 -6.195 8.767 -0.784 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -4.495 10.521 1.062 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -5.933 11.041 0.207 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -7.254 9.242 1.416 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -5.813 8.832 2.324 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -5.859 9.775 4.373 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -6.497 11.385 4.720 1.00 0.00 H new ATOM 296 N ASN A 20 -3.453 8.786 -1.996 1.00 0.00 N ATOM 297 CA ASN A 20 -2.548 9.222 -3.108 1.00 0.00 C ATOM 298 C ASN A 20 -2.959 8.451 -4.373 1.00 0.00 C ATOM 299 O ASN A 20 -3.342 7.301 -4.289 1.00 0.00 O ATOM 300 CB ASN A 20 -1.093 8.889 -2.729 1.00 0.00 C ATOM 301 CG ASN A 20 -0.518 9.996 -1.839 1.00 0.00 C ATOM 302 OD1 ASN A 20 -0.721 11.166 -2.096 1.00 0.00 O ATOM 303 ND2 ASN A 20 0.196 9.672 -0.796 1.00 0.00 N ATOM 0 H ASN A 20 -3.314 7.824 -1.686 1.00 0.00 H new ATOM 0 HA ASN A 20 -2.626 10.295 -3.284 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -1.054 7.933 -2.206 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -0.488 8.784 -3.630 1.00 0.00 H new ATOM 0 HD21 ASN A 20 0.583 10.401 -0.197 1.00 0.00 H new ATOM 0 HD22 ASN A 20 0.367 8.690 -0.580 1.00 0.00 H new ATOM 310 N PRO A 21 -2.910 9.063 -5.534 1.00 0.00 N ATOM 311 CA PRO A 21 -3.320 8.381 -6.797 1.00 0.00 C ATOM 312 C PRO A 21 -2.346 7.269 -7.214 1.00 0.00 C ATOM 313 O PRO A 21 -2.755 6.178 -7.559 1.00 0.00 O ATOM 314 CB PRO A 21 -3.351 9.519 -7.832 1.00 0.00 C ATOM 315 CG PRO A 21 -2.380 10.532 -7.311 1.00 0.00 C ATOM 316 CD PRO A 21 -2.466 10.450 -5.783 1.00 0.00 C ATOM 0 HA PRO A 21 -4.278 7.872 -6.691 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -3.060 9.163 -8.821 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -4.351 9.941 -7.927 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -1.369 10.318 -7.657 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -2.632 11.532 -7.663 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -1.502 10.652 -5.316 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -3.173 11.176 -5.382 1.00 0.00 H new ATOM 324 N ARG A 22 -1.065 7.527 -7.183 1.00 0.00 N ATOM 325 CA ARG A 22 -0.091 6.466 -7.576 1.00 0.00 C ATOM 326 C ARG A 22 -0.254 5.284 -6.616 1.00 0.00 C ATOM 327 O ARG A 22 -0.016 4.145 -6.965 1.00 0.00 O ATOM 328 CB ARG A 22 1.346 7.018 -7.487 1.00 0.00 C ATOM 329 CG ARG A 22 1.703 7.802 -8.761 1.00 0.00 C ATOM 330 CD ARG A 22 0.840 9.061 -8.863 1.00 0.00 C ATOM 331 NE ARG A 22 1.360 9.930 -9.958 1.00 0.00 N ATOM 332 CZ ARG A 22 1.200 9.581 -11.208 1.00 0.00 C ATOM 333 NH1 ARG A 22 0.581 8.471 -11.505 1.00 0.00 N ATOM 334 NH2 ARG A 22 1.660 10.345 -12.161 1.00 0.00 N ATOM 0 H ARG A 22 -0.654 8.418 -6.905 1.00 0.00 H new ATOM 0 HA ARG A 22 -0.278 6.145 -8.601 1.00 0.00 H new ATOM 0 HB2 ARG A 22 1.439 7.667 -6.616 1.00 0.00 H new ATOM 0 HB3 ARG A 22 2.049 6.197 -7.350 1.00 0.00 H new ATOM 0 HG2 ARG A 22 2.758 8.075 -8.745 1.00 0.00 H new ATOM 0 HG3 ARG A 22 1.549 7.174 -9.639 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -0.197 8.790 -9.060 1.00 0.00 H new ATOM 0 HD3 ARG A 22 0.853 9.602 -7.917 1.00 0.00 H new ATOM 0 HE ARG A 22 1.842 10.800 -9.731 1.00 0.00 H new ATOM 0 HH11 ARG A 22 0.221 7.873 -10.761 1.00 0.00 H new ATOM 0 HH12 ARG A 22 0.458 8.201 -12.481 1.00 0.00 H new ATOM 0 HH21 ARG A 22 2.144 11.213 -11.930 1.00 0.00 H new ATOM 0 HH22 ARG A 22 1.536 10.074 -13.137 1.00 0.00 H new ATOM 348 N VAL A 23 -0.665 5.557 -5.409 1.00 0.00 N ATOM 349 CA VAL A 23 -0.858 4.469 -4.409 1.00 0.00 C ATOM 350 C VAL A 23 -2.131 3.698 -4.752 1.00 0.00 C ATOM 351 O VAL A 23 -2.116 2.491 -4.887 1.00 0.00 O ATOM 352 CB VAL A 23 -0.967 5.092 -3.014 1.00 0.00 C ATOM 353 CG1 VAL A 23 -1.253 4.007 -1.967 1.00 0.00 C ATOM 354 CG2 VAL A 23 0.357 5.790 -2.683 1.00 0.00 C ATOM 0 H VAL A 23 -0.877 6.495 -5.070 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.013 3.780 -4.426 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.785 5.812 -3.000 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -1.328 4.464 -0.980 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -2.191 3.507 -2.208 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.443 3.278 -1.968 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.294 6.239 -1.692 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.167 5.061 -2.700 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.553 6.568 -3.421 1.00 0.00 H new ATOM 364 N GLN A 24 -3.232 4.384 -4.916 1.00 0.00 N ATOM 365 CA GLN A 24 -4.497 3.681 -5.276 1.00 0.00 C ATOM 366 C GLN A 24 -4.229 2.820 -6.512 1.00 0.00 C ATOM 367 O GLN A 24 -4.770 1.743 -6.669 1.00 0.00 O ATOM 368 CB GLN A 24 -5.590 4.714 -5.583 1.00 0.00 C ATOM 369 CG GLN A 24 -6.948 4.014 -5.733 1.00 0.00 C ATOM 370 CD GLN A 24 -7.418 3.498 -4.371 1.00 0.00 C ATOM 371 OE1 GLN A 24 -7.083 4.059 -3.347 1.00 0.00 O ATOM 372 NE2 GLN A 24 -8.187 2.445 -4.316 1.00 0.00 N ATOM 0 H GLN A 24 -3.309 5.396 -4.817 1.00 0.00 H new ATOM 0 HA GLN A 24 -4.833 3.054 -4.450 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -5.639 5.452 -4.783 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -5.346 5.252 -6.499 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -7.682 4.708 -6.142 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.865 3.186 -6.437 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -8.469 1.974 -5.176 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -8.507 2.093 -3.413 1.00 0.00 H new ATOM 381 N ALA A 25 -3.376 3.292 -7.379 1.00 0.00 N ATOM 382 CA ALA A 25 -3.034 2.520 -8.603 1.00 0.00 C ATOM 383 C ALA A 25 -2.150 1.339 -8.210 1.00 0.00 C ATOM 384 O ALA A 25 -2.241 0.268 -8.774 1.00 0.00 O ATOM 385 CB ALA A 25 -2.275 3.429 -9.571 1.00 0.00 C ATOM 0 H ALA A 25 -2.898 4.188 -7.289 1.00 0.00 H new ATOM 0 HA ALA A 25 -3.942 2.155 -9.084 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -2.021 2.870 -10.471 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -2.901 4.280 -9.837 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -1.361 3.785 -9.095 1.00 0.00 H new ATOM 391 N ALA A 26 -1.302 1.523 -7.237 1.00 0.00 N ATOM 392 CA ALA A 26 -0.423 0.406 -6.798 1.00 0.00 C ATOM 393 C ALA A 26 -1.292 -0.669 -6.145 1.00 0.00 C ATOM 394 O ALA A 26 -1.102 -1.849 -6.356 1.00 0.00 O ATOM 395 CB ALA A 26 0.603 0.929 -5.790 1.00 0.00 C ATOM 0 H ALA A 26 -1.180 2.398 -6.728 1.00 0.00 H new ATOM 0 HA ALA A 26 0.106 -0.015 -7.653 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.247 0.110 -5.468 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.209 1.705 -6.257 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.085 1.344 -4.926 1.00 0.00 H new ATOM 401 N LEU A 27 -2.255 -0.263 -5.360 1.00 0.00 N ATOM 402 CA LEU A 27 -3.153 -1.251 -4.695 1.00 0.00 C ATOM 403 C LEU A 27 -4.080 -1.862 -5.745 1.00 0.00 C ATOM 404 O LEU A 27 -4.239 -3.063 -5.822 1.00 0.00 O ATOM 405 CB LEU A 27 -3.994 -0.546 -3.625 1.00 0.00 C ATOM 406 CG LEU A 27 -3.081 0.209 -2.642 1.00 0.00 C ATOM 407 CD1 LEU A 27 -3.930 1.143 -1.775 1.00 0.00 C ATOM 408 CD2 LEU A 27 -2.331 -0.784 -1.736 1.00 0.00 C ATOM 0 H LEU A 27 -2.458 0.714 -5.150 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.555 -2.032 -4.225 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.687 0.151 -4.097 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.596 -1.277 -3.085 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.354 0.788 -3.211 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.285 1.679 -1.078 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.450 1.859 -2.412 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -4.660 0.557 -1.217 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.690 -0.235 -1.047 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.051 -1.375 -1.169 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.721 -1.447 -2.349 1.00 0.00 H new ATOM 420 N MET A 28 -4.686 -1.048 -6.565 1.00 0.00 N ATOM 421 CA MET A 28 -5.586 -1.597 -7.615 1.00 0.00 C ATOM 422 C MET A 28 -4.773 -2.544 -8.491 1.00 0.00 C ATOM 423 O MET A 28 -5.227 -3.607 -8.865 1.00 0.00 O ATOM 424 CB MET A 28 -6.152 -0.449 -8.462 1.00 0.00 C ATOM 425 CG MET A 28 -7.260 -0.973 -9.383 1.00 0.00 C ATOM 426 SD MET A 28 -8.720 -1.391 -8.398 1.00 0.00 S ATOM 427 CE MET A 28 -9.870 -1.609 -9.778 1.00 0.00 C ATOM 0 H MET A 28 -4.597 -0.032 -6.553 1.00 0.00 H new ATOM 0 HA MET A 28 -6.418 -2.134 -7.160 1.00 0.00 H new ATOM 0 HB2 MET A 28 -6.547 0.332 -7.813 1.00 0.00 H new ATOM 0 HB3 MET A 28 -5.357 0.002 -9.056 1.00 0.00 H new ATOM 0 HG2 MET A 28 -7.515 -0.219 -10.128 1.00 0.00 H new ATOM 0 HG3 MET A 28 -6.911 -1.852 -9.925 1.00 0.00 H new ATOM 0 HE1 MET A 28 -10.854 -1.876 -9.393 1.00 0.00 H new ATOM 0 HE2 MET A 28 -9.942 -0.679 -10.342 1.00 0.00 H new ATOM 0 HE3 MET A 28 -9.508 -2.403 -10.431 1.00 0.00 H new ATOM 437 N GLU A 29 -3.562 -2.173 -8.805 1.00 0.00 N ATOM 438 CA GLU A 29 -2.711 -3.062 -9.636 1.00 0.00 C ATOM 439 C GLU A 29 -2.239 -4.235 -8.777 1.00 0.00 C ATOM 440 O GLU A 29 -2.039 -5.328 -9.266 1.00 0.00 O ATOM 441 CB GLU A 29 -1.494 -2.288 -10.163 1.00 0.00 C ATOM 442 CG GLU A 29 -0.812 -3.096 -11.289 1.00 0.00 C ATOM 443 CD GLU A 29 -1.493 -2.803 -12.631 1.00 0.00 C ATOM 444 OE1 GLU A 29 -2.643 -2.394 -12.612 1.00 0.00 O ATOM 445 OE2 GLU A 29 -0.853 -2.992 -13.652 1.00 0.00 O ATOM 0 H GLU A 29 -3.128 -1.294 -8.522 1.00 0.00 H new ATOM 0 HA GLU A 29 -3.288 -3.428 -10.486 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -1.805 -1.313 -10.539 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -0.788 -2.106 -9.353 1.00 0.00 H new ATOM 0 HG2 GLU A 29 0.245 -2.837 -11.344 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -0.868 -4.162 -11.068 1.00 0.00 H new ATOM 452 N CYS A 30 -2.064 -4.021 -7.491 1.00 0.00 N ATOM 453 CA CYS A 30 -1.607 -5.143 -6.610 1.00 0.00 C ATOM 454 C CYS A 30 -2.510 -6.354 -6.848 1.00 0.00 C ATOM 455 O CYS A 30 -2.107 -7.488 -6.680 1.00 0.00 O ATOM 456 CB CYS A 30 -1.690 -4.729 -5.139 1.00 0.00 C ATOM 457 SG CYS A 30 -0.965 -6.030 -4.109 1.00 0.00 S ATOM 0 H CYS A 30 -2.216 -3.129 -7.020 1.00 0.00 H new ATOM 0 HA CYS A 30 -0.572 -5.391 -6.847 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -1.161 -3.789 -4.984 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -2.729 -4.561 -4.855 1.00 0.00 H new ATOM 0 HG CYS A 30 -1.093 -7.178 -4.706 1.00 0.00 H new ATOM 463 N SER A 31 -3.729 -6.116 -7.254 1.00 0.00 N ATOM 464 CA SER A 31 -4.661 -7.235 -7.521 1.00 0.00 C ATOM 465 C SER A 31 -4.009 -8.206 -8.506 1.00 0.00 C ATOM 466 O SER A 31 -4.147 -9.408 -8.393 1.00 0.00 O ATOM 467 CB SER A 31 -5.957 -6.690 -8.123 1.00 0.00 C ATOM 468 OG SER A 31 -6.514 -5.724 -7.241 1.00 0.00 O ATOM 0 H SER A 31 -4.116 -5.185 -7.411 1.00 0.00 H new ATOM 0 HA SER A 31 -4.888 -7.753 -6.589 1.00 0.00 H new ATOM 0 HB2 SER A 31 -5.759 -6.240 -9.096 1.00 0.00 H new ATOM 0 HB3 SER A 31 -6.666 -7.502 -8.286 1.00 0.00 H new ATOM 0 HG SER A 31 -6.248 -4.826 -7.529 1.00 0.00 H new ATOM 474 N GLU A 32 -3.288 -7.692 -9.470 1.00 0.00 N ATOM 475 CA GLU A 32 -2.620 -8.594 -10.454 1.00 0.00 C ATOM 476 C GLU A 32 -1.686 -9.539 -9.701 1.00 0.00 C ATOM 477 O GLU A 32 -1.801 -10.744 -9.794 1.00 0.00 O ATOM 478 CB GLU A 32 -1.794 -7.761 -11.446 1.00 0.00 C ATOM 479 CG GLU A 32 -2.725 -7.027 -12.420 1.00 0.00 C ATOM 480 CD GLU A 32 -3.360 -8.031 -13.386 1.00 0.00 C ATOM 481 OE1 GLU A 32 -2.653 -8.517 -14.254 1.00 0.00 O ATOM 482 OE2 GLU A 32 -4.542 -8.296 -13.241 1.00 0.00 O ATOM 0 H GLU A 32 -3.134 -6.694 -9.617 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.375 -9.161 -10.999 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -1.180 -7.041 -10.905 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.114 -8.409 -11.999 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.502 -6.499 -11.867 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.165 -6.276 -12.977 1.00 0.00 H new ATOM 489 N ASN A 33 -0.766 -8.996 -8.949 1.00 0.00 N ATOM 490 CA ASN A 33 0.177 -9.860 -8.179 1.00 0.00 C ATOM 491 C ASN A 33 1.231 -8.969 -7.501 1.00 0.00 C ATOM 492 O ASN A 33 1.524 -7.892 -7.970 1.00 0.00 O ATOM 493 CB ASN A 33 0.873 -10.854 -9.137 1.00 0.00 C ATOM 494 CG ASN A 33 1.070 -10.199 -10.507 1.00 0.00 C ATOM 495 OD1 ASN A 33 1.504 -9.068 -10.596 1.00 0.00 O ATOM 496 ND2 ASN A 33 0.766 -10.868 -11.585 1.00 0.00 N ATOM 0 H ASN A 33 -0.626 -7.992 -8.834 1.00 0.00 H new ATOM 0 HA ASN A 33 -0.372 -10.421 -7.423 1.00 0.00 H new ATOM 0 HB2 ASN A 33 1.836 -11.156 -8.726 1.00 0.00 H new ATOM 0 HB3 ASN A 33 0.272 -11.758 -9.238 1.00 0.00 H new ATOM 0 HD21 ASN A 33 0.893 -10.441 -12.503 1.00 0.00 H new ATOM 0 HD22 ASN A 33 0.402 -11.818 -11.510 1.00 0.00 H new ATOM 503 N PRO A 34 1.814 -9.410 -6.415 1.00 0.00 N ATOM 504 CA PRO A 34 2.855 -8.618 -5.697 1.00 0.00 C ATOM 505 C PRO A 34 3.975 -8.171 -6.647 1.00 0.00 C ATOM 506 O PRO A 34 4.869 -7.443 -6.267 1.00 0.00 O ATOM 507 CB PRO A 34 3.385 -9.575 -4.602 1.00 0.00 C ATOM 508 CG PRO A 34 2.871 -10.935 -4.975 1.00 0.00 C ATOM 509 CD PRO A 34 1.571 -10.700 -5.744 1.00 0.00 C ATOM 0 HA PRO A 34 2.453 -7.697 -5.275 1.00 0.00 H new ATOM 0 HB2 PRO A 34 4.474 -9.564 -4.565 1.00 0.00 H new ATOM 0 HB3 PRO A 34 3.029 -9.278 -3.615 1.00 0.00 H new ATOM 0 HG2 PRO A 34 3.595 -11.471 -5.588 1.00 0.00 H new ATOM 0 HG3 PRO A 34 2.694 -11.542 -4.087 1.00 0.00 H new ATOM 0 HD2 PRO A 34 1.376 -11.498 -6.461 1.00 0.00 H new ATOM 0 HD3 PRO A 34 0.710 -10.653 -5.077 1.00 0.00 H new ATOM 517 N MET A 35 3.944 -8.623 -7.875 1.00 0.00 N ATOM 518 CA MET A 35 5.018 -8.246 -8.844 1.00 0.00 C ATOM 519 C MET A 35 4.778 -6.833 -9.377 1.00 0.00 C ATOM 520 O MET A 35 5.598 -6.279 -10.081 1.00 0.00 O ATOM 521 CB MET A 35 5.015 -9.236 -10.013 1.00 0.00 C ATOM 522 CG MET A 35 5.358 -10.638 -9.502 1.00 0.00 C ATOM 523 SD MET A 35 5.617 -11.748 -10.910 1.00 0.00 S ATOM 524 CE MET A 35 3.886 -12.207 -11.176 1.00 0.00 C ATOM 0 H MET A 35 3.221 -9.237 -8.249 1.00 0.00 H new ATOM 0 HA MET A 35 5.981 -8.274 -8.335 1.00 0.00 H new ATOM 0 HB2 MET A 35 4.037 -9.243 -10.494 1.00 0.00 H new ATOM 0 HB3 MET A 35 5.739 -8.926 -10.767 1.00 0.00 H new ATOM 0 HG2 MET A 35 6.255 -10.602 -8.884 1.00 0.00 H new ATOM 0 HG3 MET A 35 4.552 -11.014 -8.872 1.00 0.00 H new ATOM 0 HE1 MET A 35 3.839 -13.170 -11.685 1.00 0.00 H new ATOM 0 HE2 MET A 35 3.377 -12.279 -10.215 1.00 0.00 H new ATOM 0 HE3 MET A 35 3.399 -11.449 -11.789 1.00 0.00 H new ATOM 534 N ASN A 36 3.658 -6.250 -9.061 1.00 0.00 N ATOM 535 CA ASN A 36 3.364 -4.879 -9.564 1.00 0.00 C ATOM 536 C ASN A 36 4.307 -3.861 -8.925 1.00 0.00 C ATOM 537 O ASN A 36 4.663 -2.870 -9.532 1.00 0.00 O ATOM 538 CB ASN A 36 1.927 -4.512 -9.212 1.00 0.00 C ATOM 539 CG ASN A 36 0.982 -5.537 -9.832 1.00 0.00 C ATOM 540 OD1 ASN A 36 0.934 -5.688 -11.037 1.00 0.00 O ATOM 541 ND2 ASN A 36 0.231 -6.260 -9.054 1.00 0.00 N ATOM 0 H ASN A 36 2.932 -6.663 -8.476 1.00 0.00 H new ATOM 0 HA ASN A 36 3.504 -4.865 -10.645 1.00 0.00 H new ATOM 0 HB2 ASN A 36 1.799 -4.490 -8.130 1.00 0.00 H new ATOM 0 HB3 ASN A 36 1.693 -3.514 -9.581 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -0.399 -6.955 -9.455 1.00 0.00 H new ATOM 0 HD22 ASN A 36 0.272 -6.132 -8.043 1.00 0.00 H new ATOM 548 N ILE A 37 4.706 -4.081 -7.703 1.00 0.00 N ATOM 549 CA ILE A 37 5.612 -3.105 -7.036 1.00 0.00 C ATOM 550 C ILE A 37 6.883 -2.942 -7.871 1.00 0.00 C ATOM 551 O ILE A 37 7.484 -1.887 -7.906 1.00 0.00 O ATOM 552 CB ILE A 37 5.959 -3.601 -5.623 1.00 0.00 C ATOM 553 CG1 ILE A 37 6.754 -2.522 -4.862 1.00 0.00 C ATOM 554 CG2 ILE A 37 6.801 -4.881 -5.710 1.00 0.00 C ATOM 555 CD1 ILE A 37 5.914 -1.247 -4.679 1.00 0.00 C ATOM 0 H ILE A 37 4.445 -4.890 -7.140 1.00 0.00 H new ATOM 0 HA ILE A 37 5.115 -2.139 -6.953 1.00 0.00 H new ATOM 0 HB ILE A 37 5.031 -3.810 -5.090 1.00 0.00 H new ATOM 0 HG12 ILE A 37 7.055 -2.906 -3.888 1.00 0.00 H new ATOM 0 HG13 ILE A 37 7.667 -2.285 -5.408 1.00 0.00 H new ATOM 0 HG21 ILE A 37 7.043 -5.226 -4.705 1.00 0.00 H new ATOM 0 HG22 ILE A 37 6.236 -5.653 -6.233 1.00 0.00 H new ATOM 0 HG23 ILE A 37 7.723 -4.674 -6.254 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.498 -0.501 -4.139 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.635 -0.852 -5.656 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.013 -1.483 -4.112 1.00 0.00 H new ATOM 567 N MET A 38 7.292 -3.977 -8.552 1.00 0.00 N ATOM 568 CA MET A 38 8.516 -3.876 -9.391 1.00 0.00 C ATOM 569 C MET A 38 8.319 -2.763 -10.423 1.00 0.00 C ATOM 570 O MET A 38 9.257 -2.114 -10.839 1.00 0.00 O ATOM 571 CB MET A 38 8.755 -5.209 -10.113 1.00 0.00 C ATOM 572 CG MET A 38 9.151 -6.301 -9.104 1.00 0.00 C ATOM 573 SD MET A 38 9.959 -7.666 -9.980 1.00 0.00 S ATOM 574 CE MET A 38 8.459 -8.517 -10.528 1.00 0.00 C ATOM 0 H MET A 38 6.831 -4.887 -8.563 1.00 0.00 H new ATOM 0 HA MET A 38 9.377 -3.649 -8.763 1.00 0.00 H new ATOM 0 HB2 MET A 38 7.853 -5.508 -10.647 1.00 0.00 H new ATOM 0 HB3 MET A 38 9.542 -5.091 -10.858 1.00 0.00 H new ATOM 0 HG2 MET A 38 9.823 -5.889 -8.351 1.00 0.00 H new ATOM 0 HG3 MET A 38 8.268 -6.664 -8.579 1.00 0.00 H new ATOM 0 HE1 MET A 38 8.732 -9.405 -11.098 1.00 0.00 H new ATOM 0 HE2 MET A 38 7.869 -8.811 -9.660 1.00 0.00 H new ATOM 0 HE3 MET A 38 7.871 -7.849 -11.157 1.00 0.00 H new ATOM 584 N LYS A 39 7.099 -2.534 -10.832 1.00 0.00 N ATOM 585 CA LYS A 39 6.833 -1.459 -11.830 1.00 0.00 C ATOM 586 C LYS A 39 6.921 -0.099 -11.135 1.00 0.00 C ATOM 587 O LYS A 39 7.538 0.823 -11.629 1.00 0.00 O ATOM 588 CB LYS A 39 5.427 -1.642 -12.417 1.00 0.00 C ATOM 589 CG LYS A 39 5.324 -2.998 -13.157 1.00 0.00 C ATOM 590 CD LYS A 39 5.812 -2.865 -14.620 1.00 0.00 C ATOM 591 CE LYS A 39 4.660 -2.410 -15.526 1.00 0.00 C ATOM 592 NZ LYS A 39 5.198 -2.049 -16.868 1.00 0.00 N ATOM 0 H LYS A 39 6.275 -3.046 -10.517 1.00 0.00 H new ATOM 0 HA LYS A 39 7.569 -1.512 -12.632 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.685 -1.598 -11.620 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.204 -0.827 -13.105 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.921 -3.747 -12.637 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.291 -3.347 -13.144 1.00 0.00 H new ATOM 0 HD2 LYS A 39 6.631 -2.148 -14.674 1.00 0.00 H new ATOM 0 HD3 LYS A 39 6.202 -3.821 -14.969 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.921 -3.206 -15.620 1.00 0.00 H new ATOM 0 HE3 LYS A 39 4.151 -1.553 -15.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.418 -1.740 -17.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 5.888 -1.277 -16.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 5.664 -2.878 -17.289 1.00 0.00 H new ATOM 606 N TYR A 40 6.308 0.032 -9.987 1.00 0.00 N ATOM 607 CA TYR A 40 6.353 1.323 -9.255 1.00 0.00 C ATOM 608 C TYR A 40 7.708 1.461 -8.560 1.00 0.00 C ATOM 609 O TYR A 40 7.941 2.392 -7.815 1.00 0.00 O ATOM 610 CB TYR A 40 5.241 1.340 -8.207 1.00 0.00 C ATOM 611 CG TYR A 40 3.900 1.196 -8.888 1.00 0.00 C ATOM 612 CD1 TYR A 40 3.298 2.315 -9.473 1.00 0.00 C ATOM 613 CD2 TYR A 40 3.261 -0.049 -8.936 1.00 0.00 C ATOM 614 CE1 TYR A 40 2.058 2.192 -10.108 1.00 0.00 C ATOM 615 CE2 TYR A 40 2.020 -0.173 -9.571 1.00 0.00 C ATOM 616 CZ TYR A 40 1.418 0.947 -10.157 1.00 0.00 C ATOM 617 OH TYR A 40 0.195 0.825 -10.784 1.00 0.00 O ATOM 0 H TYR A 40 5.776 -0.707 -9.526 1.00 0.00 H new ATOM 0 HA TYR A 40 6.215 2.150 -9.952 1.00 0.00 H new ATOM 0 HB2 TYR A 40 5.387 0.529 -7.494 1.00 0.00 H new ATOM 0 HB3 TYR A 40 5.275 2.271 -7.641 1.00 0.00 H new ATOM 0 HD1 TYR A 40 3.791 3.275 -9.434 1.00 0.00 H new ATOM 0 HD2 TYR A 40 3.725 -0.913 -8.483 1.00 0.00 H new ATOM 0 HE1 TYR A 40 1.594 3.056 -10.560 1.00 0.00 H new ATOM 0 HE2 TYR A 40 1.527 -1.133 -9.609 1.00 0.00 H new ATOM 0 HH TYR A 40 -0.484 0.562 -10.128 1.00 0.00 H new ATOM 627 N GLN A 41 8.607 0.541 -8.796 1.00 0.00 N ATOM 628 CA GLN A 41 9.947 0.624 -8.146 1.00 0.00 C ATOM 629 C GLN A 41 10.555 2.001 -8.420 1.00 0.00 C ATOM 630 O GLN A 41 11.356 2.503 -7.657 1.00 0.00 O ATOM 631 CB GLN A 41 10.858 -0.484 -8.700 1.00 0.00 C ATOM 632 CG GLN A 41 11.206 -0.218 -10.181 1.00 0.00 C ATOM 633 CD GLN A 41 12.407 0.731 -10.279 1.00 0.00 C ATOM 634 OE1 GLN A 41 12.256 1.890 -10.608 1.00 0.00 O ATOM 635 NE2 GLN A 41 13.601 0.281 -10.005 1.00 0.00 N ATOM 0 H GLN A 41 8.471 -0.262 -9.410 1.00 0.00 H new ATOM 0 HA GLN A 41 9.846 0.487 -7.069 1.00 0.00 H new ATOM 0 HB2 GLN A 41 11.773 -0.537 -8.111 1.00 0.00 H new ATOM 0 HB3 GLN A 41 10.362 -1.450 -8.606 1.00 0.00 H new ATOM 0 HG2 GLN A 41 11.434 -1.158 -10.683 1.00 0.00 H new ATOM 0 HG3 GLN A 41 10.347 0.217 -10.692 1.00 0.00 H new ATOM 0 HE21 GLN A 41 13.728 -0.693 -9.729 1.00 0.00 H new ATOM 0 HE22 GLN A 41 14.407 0.903 -10.067 1.00 0.00 H new ATOM 644 N ASN A 42 10.163 2.622 -9.501 1.00 0.00 N ATOM 645 CA ASN A 42 10.695 3.975 -9.825 1.00 0.00 C ATOM 646 C ASN A 42 9.913 5.005 -9.015 1.00 0.00 C ATOM 647 O ASN A 42 10.393 6.085 -8.730 1.00 0.00 O ATOM 648 CB ASN A 42 10.510 4.254 -11.319 1.00 0.00 C ATOM 649 CG ASN A 42 9.045 4.033 -11.702 1.00 0.00 C ATOM 650 OD1 ASN A 42 8.153 4.548 -11.060 1.00 0.00 O ATOM 651 ND2 ASN A 42 8.759 3.281 -12.730 1.00 0.00 N ATOM 0 H ASN A 42 9.495 2.248 -10.175 1.00 0.00 H new ATOM 0 HA ASN A 42 11.756 4.030 -9.581 1.00 0.00 H new ATOM 0 HB2 ASN A 42 10.806 5.278 -11.548 1.00 0.00 H new ATOM 0 HB3 ASN A 42 11.153 3.597 -11.905 1.00 0.00 H new ATOM 0 HD21 ASN A 42 7.786 3.126 -12.994 1.00 0.00 H new ATOM 0 HD22 ASN A 42 9.509 2.848 -13.270 1.00 0.00 H new ATOM 658 N ASP A 43 8.705 4.674 -8.639 1.00 0.00 N ATOM 659 CA ASP A 43 7.877 5.623 -7.843 1.00 0.00 C ATOM 660 C ASP A 43 8.284 5.528 -6.366 1.00 0.00 C ATOM 661 O ASP A 43 7.700 4.791 -5.596 1.00 0.00 O ATOM 662 CB ASP A 43 6.396 5.250 -8.006 1.00 0.00 C ATOM 663 CG ASP A 43 5.513 6.429 -7.585 1.00 0.00 C ATOM 664 OD1 ASP A 43 6.003 7.283 -6.865 1.00 0.00 O ATOM 665 OD2 ASP A 43 4.363 6.455 -7.989 1.00 0.00 O ATOM 0 H ASP A 43 8.256 3.783 -8.851 1.00 0.00 H new ATOM 0 HA ASP A 43 8.032 6.644 -8.192 1.00 0.00 H new ATOM 0 HB2 ASP A 43 6.191 4.983 -9.043 1.00 0.00 H new ATOM 0 HB3 ASP A 43 6.163 4.375 -7.399 1.00 0.00 H new ATOM 670 N LYS A 44 9.293 6.258 -5.971 1.00 0.00 N ATOM 671 CA LYS A 44 9.756 6.205 -4.559 1.00 0.00 C ATOM 672 C LYS A 44 8.572 6.392 -3.605 1.00 0.00 C ATOM 673 O LYS A 44 8.593 5.932 -2.480 1.00 0.00 O ATOM 674 CB LYS A 44 10.781 7.315 -4.321 1.00 0.00 C ATOM 675 CG LYS A 44 11.384 7.169 -2.921 1.00 0.00 C ATOM 676 CD LYS A 44 12.517 8.182 -2.744 1.00 0.00 C ATOM 677 CE LYS A 44 13.022 8.138 -1.300 1.00 0.00 C ATOM 678 NZ LYS A 44 13.620 6.802 -1.024 1.00 0.00 N ATOM 0 H LYS A 44 9.818 6.892 -6.573 1.00 0.00 H new ATOM 0 HA LYS A 44 10.212 5.233 -4.371 1.00 0.00 H new ATOM 0 HB2 LYS A 44 11.568 7.264 -5.074 1.00 0.00 H new ATOM 0 HB3 LYS A 44 10.305 8.290 -4.423 1.00 0.00 H new ATOM 0 HG2 LYS A 44 10.616 7.331 -2.164 1.00 0.00 H new ATOM 0 HG3 LYS A 44 11.762 6.156 -2.780 1.00 0.00 H new ATOM 0 HD2 LYS A 44 13.332 7.956 -3.432 1.00 0.00 H new ATOM 0 HD3 LYS A 44 12.164 9.184 -2.986 1.00 0.00 H new ATOM 0 HE2 LYS A 44 13.763 8.921 -1.139 1.00 0.00 H new ATOM 0 HE3 LYS A 44 12.200 8.330 -0.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 14.197 6.852 -0.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 12.862 6.102 -0.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 14.220 6.518 -1.825 1.00 0.00 H new ATOM 692 N GLU A 45 7.541 7.061 -4.041 1.00 0.00 N ATOM 693 CA GLU A 45 6.363 7.271 -3.154 1.00 0.00 C ATOM 694 C GLU A 45 5.704 5.920 -2.861 1.00 0.00 C ATOM 695 O GLU A 45 5.456 5.573 -1.723 1.00 0.00 O ATOM 696 CB GLU A 45 5.360 8.200 -3.852 1.00 0.00 C ATOM 697 CG GLU A 45 4.265 8.631 -2.866 1.00 0.00 C ATOM 698 CD GLU A 45 4.852 9.589 -1.826 1.00 0.00 C ATOM 699 OE1 GLU A 45 5.190 10.701 -2.197 1.00 0.00 O ATOM 700 OE2 GLU A 45 4.954 9.194 -0.676 1.00 0.00 O ATOM 0 H GLU A 45 7.463 7.471 -4.972 1.00 0.00 H new ATOM 0 HA GLU A 45 6.682 7.727 -2.217 1.00 0.00 H new ATOM 0 HB2 GLU A 45 5.876 9.078 -4.241 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.912 7.689 -4.704 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.450 9.117 -3.403 1.00 0.00 H new ATOM 0 HG3 GLU A 45 3.843 7.756 -2.371 1.00 0.00 H new ATOM 707 N VAL A 46 5.417 5.159 -3.882 1.00 0.00 N ATOM 708 CA VAL A 46 4.772 3.833 -3.672 1.00 0.00 C ATOM 709 C VAL A 46 5.707 2.922 -2.873 1.00 0.00 C ATOM 710 O VAL A 46 5.280 2.179 -2.026 1.00 0.00 O ATOM 711 CB VAL A 46 4.488 3.185 -5.029 1.00 0.00 C ATOM 712 CG1 VAL A 46 3.817 1.819 -4.828 1.00 0.00 C ATOM 713 CG2 VAL A 46 3.563 4.093 -5.846 1.00 0.00 C ATOM 0 H VAL A 46 5.602 5.400 -4.856 1.00 0.00 H new ATOM 0 HA VAL A 46 3.841 3.972 -3.123 1.00 0.00 H new ATOM 0 HB VAL A 46 5.429 3.046 -5.562 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.618 1.365 -5.799 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.477 1.170 -4.252 1.00 0.00 H new ATOM 0 HG13 VAL A 46 2.878 1.950 -4.290 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.361 3.631 -6.812 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.625 4.235 -5.309 1.00 0.00 H new ATOM 0 HG23 VAL A 46 4.044 5.059 -5.999 1.00 0.00 H new ATOM 723 N MET A 47 6.979 2.961 -3.146 1.00 0.00 N ATOM 724 CA MET A 47 7.924 2.076 -2.402 1.00 0.00 C ATOM 725 C MET A 47 7.883 2.417 -0.914 1.00 0.00 C ATOM 726 O MET A 47 7.932 1.551 -0.069 1.00 0.00 O ATOM 727 CB MET A 47 9.345 2.279 -2.937 1.00 0.00 C ATOM 728 CG MET A 47 9.429 1.786 -4.385 1.00 0.00 C ATOM 729 SD MET A 47 9.325 -0.024 -4.417 1.00 0.00 S ATOM 730 CE MET A 47 11.093 -0.372 -4.238 1.00 0.00 C ATOM 0 H MET A 47 7.407 3.564 -3.849 1.00 0.00 H new ATOM 0 HA MET A 47 7.630 1.036 -2.541 1.00 0.00 H new ATOM 0 HB2 MET A 47 9.616 3.334 -2.886 1.00 0.00 H new ATOM 0 HB3 MET A 47 10.058 1.736 -2.316 1.00 0.00 H new ATOM 0 HG2 MET A 47 8.620 2.217 -4.974 1.00 0.00 H new ATOM 0 HG3 MET A 47 10.364 2.115 -4.838 1.00 0.00 H new ATOM 0 HE1 MET A 47 11.253 -1.450 -4.234 1.00 0.00 H new ATOM 0 HE2 MET A 47 11.638 0.073 -5.071 1.00 0.00 H new ATOM 0 HE3 MET A 47 11.454 0.052 -3.301 1.00 0.00 H new ATOM 740 N ASP A 48 7.796 3.670 -0.589 1.00 0.00 N ATOM 741 CA ASP A 48 7.755 4.076 0.844 1.00 0.00 C ATOM 742 C ASP A 48 6.531 3.462 1.532 1.00 0.00 C ATOM 743 O ASP A 48 6.623 2.849 2.580 1.00 0.00 O ATOM 744 CB ASP A 48 7.638 5.602 0.909 1.00 0.00 C ATOM 745 CG ASP A 48 8.977 6.242 0.533 1.00 0.00 C ATOM 746 OD1 ASP A 48 9.996 5.746 0.984 1.00 0.00 O ATOM 747 OD2 ASP A 48 8.960 7.217 -0.200 1.00 0.00 O ATOM 0 H ASP A 48 7.751 4.440 -1.257 1.00 0.00 H new ATOM 0 HA ASP A 48 8.659 3.731 1.346 1.00 0.00 H new ATOM 0 HB2 ASP A 48 6.857 5.945 0.230 1.00 0.00 H new ATOM 0 HB3 ASP A 48 7.346 5.911 1.913 1.00 0.00 H new ATOM 752 N VAL A 49 5.386 3.662 0.956 1.00 0.00 N ATOM 753 CA VAL A 49 4.124 3.151 1.556 1.00 0.00 C ATOM 754 C VAL A 49 4.027 1.628 1.420 1.00 0.00 C ATOM 755 O VAL A 49 3.565 0.953 2.318 1.00 0.00 O ATOM 756 CB VAL A 49 2.951 3.825 0.832 1.00 0.00 C ATOM 757 CG1 VAL A 49 3.032 3.531 -0.656 1.00 0.00 C ATOM 758 CG2 VAL A 49 1.618 3.320 1.383 1.00 0.00 C ATOM 0 H VAL A 49 5.266 4.167 0.078 1.00 0.00 H new ATOM 0 HA VAL A 49 4.101 3.384 2.620 1.00 0.00 H new ATOM 0 HB VAL A 49 3.012 4.901 0.996 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.198 4.011 -1.168 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.971 3.917 -1.053 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.985 2.454 -0.817 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.798 3.809 0.857 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.550 2.242 1.238 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.554 3.548 2.447 1.00 0.00 H new ATOM 768 N PHE A 50 4.434 1.076 0.307 1.00 0.00 N ATOM 769 CA PHE A 50 4.331 -0.402 0.132 1.00 0.00 C ATOM 770 C PHE A 50 5.405 -1.100 0.977 1.00 0.00 C ATOM 771 O PHE A 50 5.216 -2.206 1.443 1.00 0.00 O ATOM 772 CB PHE A 50 4.479 -0.768 -1.363 1.00 0.00 C ATOM 773 CG PHE A 50 3.433 -1.803 -1.732 1.00 0.00 C ATOM 774 CD1 PHE A 50 3.598 -3.134 -1.332 1.00 0.00 C ATOM 775 CD2 PHE A 50 2.293 -1.428 -2.459 1.00 0.00 C ATOM 776 CE1 PHE A 50 2.629 -4.088 -1.659 1.00 0.00 C ATOM 777 CE2 PHE A 50 1.325 -2.382 -2.785 1.00 0.00 C ATOM 778 CZ PHE A 50 1.492 -3.713 -2.385 1.00 0.00 C ATOM 0 H PHE A 50 4.831 1.582 -0.484 1.00 0.00 H new ATOM 0 HA PHE A 50 3.352 -0.741 0.470 1.00 0.00 H new ATOM 0 HB2 PHE A 50 4.360 0.122 -1.981 1.00 0.00 H new ATOM 0 HB3 PHE A 50 5.478 -1.159 -1.556 1.00 0.00 H new ATOM 0 HD1 PHE A 50 4.474 -3.424 -0.771 1.00 0.00 H new ATOM 0 HD2 PHE A 50 2.163 -0.401 -2.767 1.00 0.00 H new ATOM 0 HE1 PHE A 50 2.758 -5.115 -1.351 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.448 -2.092 -3.345 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.744 -4.450 -2.636 1.00 0.00 H new ATOM 788 N ASN A 51 6.521 -0.457 1.199 1.00 0.00 N ATOM 789 CA ASN A 51 7.583 -1.083 2.036 1.00 0.00 C ATOM 790 C ASN A 51 7.132 -1.004 3.488 1.00 0.00 C ATOM 791 O ASN A 51 7.485 -1.823 4.312 1.00 0.00 O ATOM 792 CB ASN A 51 8.901 -0.320 1.864 1.00 0.00 C ATOM 793 CG ASN A 51 9.458 -0.565 0.460 1.00 0.00 C ATOM 794 OD1 ASN A 51 10.643 -0.430 0.232 1.00 0.00 O ATOM 795 ND2 ASN A 51 8.646 -0.924 -0.497 1.00 0.00 N ATOM 0 H ASN A 51 6.741 0.471 0.838 1.00 0.00 H new ATOM 0 HA ASN A 51 7.742 -2.119 1.737 1.00 0.00 H new ATOM 0 HB2 ASN A 51 8.738 0.746 2.020 1.00 0.00 H new ATOM 0 HB3 ASN A 51 9.622 -0.646 2.614 1.00 0.00 H new ATOM 0 HD21 ASN A 51 9.007 -1.091 -1.436 1.00 0.00 H new ATOM 0 HD22 ASN A 51 7.651 -1.037 -0.306 1.00 0.00 H new ATOM 802 N LYS A 52 6.332 -0.021 3.797 1.00 0.00 N ATOM 803 CA LYS A 52 5.823 0.124 5.188 1.00 0.00 C ATOM 804 C LYS A 52 4.693 -0.878 5.389 1.00 0.00 C ATOM 805 O LYS A 52 4.615 -1.572 6.383 1.00 0.00 O ATOM 806 CB LYS A 52 5.276 1.540 5.383 1.00 0.00 C ATOM 807 CG LYS A 52 4.762 1.704 6.819 1.00 0.00 C ATOM 808 CD LYS A 52 4.401 3.181 7.097 1.00 0.00 C ATOM 809 CE LYS A 52 5.644 3.965 7.544 1.00 0.00 C ATOM 810 NZ LYS A 52 6.192 3.364 8.793 1.00 0.00 N ATOM 0 H LYS A 52 6.008 0.691 3.142 1.00 0.00 H new ATOM 0 HA LYS A 52 6.625 -0.056 5.904 1.00 0.00 H new ATOM 0 HB2 LYS A 52 6.057 2.273 5.180 1.00 0.00 H new ATOM 0 HB3 LYS A 52 4.470 1.729 4.674 1.00 0.00 H new ATOM 0 HG2 LYS A 52 3.886 1.074 6.973 1.00 0.00 H new ATOM 0 HG3 LYS A 52 5.523 1.370 7.525 1.00 0.00 H new ATOM 0 HD2 LYS A 52 3.982 3.634 6.199 1.00 0.00 H new ATOM 0 HD3 LYS A 52 3.633 3.235 7.869 1.00 0.00 H new ATOM 0 HE2 LYS A 52 6.399 3.948 6.758 1.00 0.00 H new ATOM 0 HE3 LYS A 52 5.385 5.010 7.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 6.810 4.053 9.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 5.409 3.107 9.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 6.740 2.512 8.557 1.00 0.00 H new ATOM 824 N ILE A 53 3.818 -0.942 4.433 1.00 0.00 N ATOM 825 CA ILE A 53 2.664 -1.876 4.505 1.00 0.00 C ATOM 826 C ILE A 53 3.180 -3.308 4.695 1.00 0.00 C ATOM 827 O ILE A 53 2.546 -4.128 5.316 1.00 0.00 O ATOM 828 CB ILE A 53 1.866 -1.740 3.175 1.00 0.00 C ATOM 829 CG1 ILE A 53 0.529 -1.019 3.416 1.00 0.00 C ATOM 830 CG2 ILE A 53 1.601 -3.100 2.511 1.00 0.00 C ATOM 831 CD1 ILE A 53 -0.382 -1.822 4.361 1.00 0.00 C ATOM 0 H ILE A 53 3.853 -0.375 3.586 1.00 0.00 H new ATOM 0 HA ILE A 53 2.014 -1.640 5.348 1.00 0.00 H new ATOM 0 HB ILE A 53 2.485 -1.151 2.498 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.717 -0.033 3.841 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.021 -0.864 2.464 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.042 -2.951 1.587 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.550 -3.586 2.286 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.023 -3.729 3.188 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.318 -1.283 4.509 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.591 -2.798 3.923 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.116 -1.954 5.321 1.00 0.00 H new ATOM 843 N SER A 54 4.297 -3.622 4.117 1.00 0.00 N ATOM 844 CA SER A 54 4.838 -5.013 4.222 1.00 0.00 C ATOM 845 C SER A 54 5.603 -5.229 5.534 1.00 0.00 C ATOM 846 O SER A 54 5.619 -6.315 6.080 1.00 0.00 O ATOM 847 CB SER A 54 5.784 -5.258 3.050 1.00 0.00 C ATOM 848 OG SER A 54 6.044 -6.651 2.937 1.00 0.00 O ATOM 0 H SER A 54 4.868 -2.977 3.571 1.00 0.00 H new ATOM 0 HA SER A 54 3.999 -5.709 4.203 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.342 -4.883 2.127 1.00 0.00 H new ATOM 0 HB3 SER A 54 6.716 -4.714 3.201 1.00 0.00 H new ATOM 0 HG SER A 54 6.650 -6.811 2.184 1.00 0.00 H new ATOM 854 N GLN A 55 6.281 -4.225 6.015 1.00 0.00 N ATOM 855 CA GLN A 55 7.099 -4.395 7.261 1.00 0.00 C ATOM 856 C GLN A 55 6.244 -4.263 8.526 1.00 0.00 C ATOM 857 O GLN A 55 6.397 -5.019 9.464 1.00 0.00 O ATOM 858 CB GLN A 55 8.199 -3.327 7.283 1.00 0.00 C ATOM 859 CG GLN A 55 9.203 -3.600 6.159 1.00 0.00 C ATOM 860 CD GLN A 55 10.192 -2.436 6.062 1.00 0.00 C ATOM 861 OE1 GLN A 55 9.825 -1.294 6.252 1.00 0.00 O ATOM 862 NE2 GLN A 55 11.441 -2.680 5.772 1.00 0.00 N ATOM 0 H GLN A 55 6.308 -3.292 5.604 1.00 0.00 H new ATOM 0 HA GLN A 55 7.530 -5.396 7.251 1.00 0.00 H new ATOM 0 HB2 GLN A 55 7.761 -2.337 7.160 1.00 0.00 H new ATOM 0 HB3 GLN A 55 8.707 -3.333 8.247 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.738 -4.530 6.353 1.00 0.00 H new ATOM 0 HG3 GLN A 55 8.679 -3.725 5.212 1.00 0.00 H new ATOM 0 HE21 GLN A 55 11.750 -3.639 5.612 1.00 0.00 H new ATOM 0 HE22 GLN A 55 12.109 -1.912 5.705 1.00 0.00 H new ATOM 871 N LEU A 56 5.370 -3.300 8.578 1.00 0.00 N ATOM 872 CA LEU A 56 4.536 -3.114 9.810 1.00 0.00 C ATOM 873 C LEU A 56 3.402 -4.145 9.841 1.00 0.00 C ATOM 874 O LEU A 56 2.558 -4.119 10.715 1.00 0.00 O ATOM 875 CB LEU A 56 3.951 -1.692 9.822 1.00 0.00 C ATOM 876 CG LEU A 56 5.019 -0.691 10.288 1.00 0.00 C ATOM 877 CD1 LEU A 56 6.243 -0.758 9.360 1.00 0.00 C ATOM 878 CD2 LEU A 56 4.428 0.724 10.271 1.00 0.00 C ATOM 0 H LEU A 56 5.192 -2.633 7.827 1.00 0.00 H new ATOM 0 HA LEU A 56 5.162 -3.256 10.691 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.600 -1.425 8.825 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.087 -1.650 10.485 1.00 0.00 H new ATOM 0 HG LEU A 56 5.333 -0.942 11.301 1.00 0.00 H new ATOM 0 HD11 LEU A 56 6.995 -0.045 9.698 1.00 0.00 H new ATOM 0 HD12 LEU A 56 6.661 -1.764 9.382 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.941 -0.512 8.342 1.00 0.00 H new ATOM 0 HD21 LEU A 56 5.183 1.438 10.601 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.111 0.974 9.259 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.570 0.768 10.941 1.00 0.00 H new ATOM 890 N PHE A 57 3.370 -5.039 8.884 1.00 0.00 N ATOM 891 CA PHE A 57 2.284 -6.070 8.831 1.00 0.00 C ATOM 892 C PHE A 57 2.907 -7.468 8.712 1.00 0.00 C ATOM 893 O PHE A 57 2.672 -8.172 7.749 1.00 0.00 O ATOM 894 CB PHE A 57 1.409 -5.811 7.601 1.00 0.00 C ATOM 895 CG PHE A 57 0.765 -4.432 7.690 1.00 0.00 C ATOM 896 CD1 PHE A 57 1.554 -3.268 7.616 1.00 0.00 C ATOM 897 CD2 PHE A 57 -0.625 -4.314 7.845 1.00 0.00 C ATOM 898 CE1 PHE A 57 0.954 -2.006 7.699 1.00 0.00 C ATOM 899 CE2 PHE A 57 -1.219 -3.048 7.927 1.00 0.00 C ATOM 900 CZ PHE A 57 -0.430 -1.896 7.856 1.00 0.00 C ATOM 0 H PHE A 57 4.055 -5.100 8.130 1.00 0.00 H new ATOM 0 HA PHE A 57 1.683 -6.013 9.739 1.00 0.00 H new ATOM 0 HB2 PHE A 57 2.013 -5.880 6.696 1.00 0.00 H new ATOM 0 HB3 PHE A 57 0.636 -6.577 7.528 1.00 0.00 H new ATOM 0 HD1 PHE A 57 2.624 -3.349 7.495 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -1.238 -5.201 7.901 1.00 0.00 H new ATOM 0 HE1 PHE A 57 1.562 -1.115 7.642 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -2.289 -2.962 8.045 1.00 0.00 H new ATOM 0 HZ PHE A 57 -0.890 -0.921 7.922 1.00 0.00 H new ATOM 910 N PRO A 58 3.695 -7.875 9.679 1.00 0.00 N ATOM 911 CA PRO A 58 4.351 -9.219 9.664 1.00 0.00 C ATOM 912 C PRO A 58 3.341 -10.349 9.908 1.00 0.00 C ATOM 913 O PRO A 58 3.685 -11.408 10.394 1.00 0.00 O ATOM 914 CB PRO A 58 5.372 -9.130 10.811 1.00 0.00 C ATOM 915 CG PRO A 58 4.777 -8.143 11.763 1.00 0.00 C ATOM 916 CD PRO A 58 4.052 -7.111 10.891 1.00 0.00 C ATOM 0 HA PRO A 58 4.807 -9.451 8.701 1.00 0.00 H new ATOM 0 HB2 PRO A 58 5.522 -10.100 11.286 1.00 0.00 H new ATOM 0 HB3 PRO A 58 6.346 -8.798 10.451 1.00 0.00 H new ATOM 0 HG2 PRO A 58 4.085 -8.630 12.450 1.00 0.00 H new ATOM 0 HG3 PRO A 58 5.549 -7.670 12.370 1.00 0.00 H new ATOM 0 HD2 PRO A 58 3.168 -6.714 11.390 1.00 0.00 H new ATOM 0 HD3 PRO A 58 4.694 -6.262 10.656 1.00 0.00 H new ATOM 924 N GLY A 59 2.097 -10.128 9.575 1.00 0.00 N ATOM 925 CA GLY A 59 1.063 -11.182 9.787 1.00 0.00 C ATOM 926 C GLY A 59 0.646 -11.194 11.257 1.00 0.00 C ATOM 927 O GLY A 59 0.311 -12.222 11.811 1.00 0.00 O ATOM 0 H GLY A 59 1.752 -9.261 9.164 1.00 0.00 H new ATOM 0 HA2 GLY A 59 0.197 -10.990 9.153 1.00 0.00 H new ATOM 0 HA3 GLY A 59 1.458 -12.157 9.501 1.00 0.00 H new ATOM 931 N MET A 60 0.663 -10.055 11.895 1.00 0.00 N ATOM 932 CA MET A 60 0.269 -9.998 13.330 1.00 0.00 C ATOM 933 C MET A 60 -1.227 -10.300 13.456 1.00 0.00 C ATOM 934 O MET A 60 -1.632 -11.188 14.180 1.00 0.00 O ATOM 935 CB MET A 60 0.565 -8.597 13.883 1.00 0.00 C ATOM 936 CG MET A 60 0.418 -8.592 15.410 1.00 0.00 C ATOM 937 SD MET A 60 1.787 -9.515 16.154 1.00 0.00 S ATOM 938 CE MET A 60 1.366 -9.189 17.883 1.00 0.00 C ATOM 0 H MET A 60 0.933 -9.162 11.483 1.00 0.00 H new ATOM 0 HA MET A 60 0.835 -10.736 13.898 1.00 0.00 H new ATOM 0 HB2 MET A 60 1.575 -8.294 13.606 1.00 0.00 H new ATOM 0 HB3 MET A 60 -0.118 -7.871 13.442 1.00 0.00 H new ATOM 0 HG2 MET A 60 0.412 -7.567 15.782 1.00 0.00 H new ATOM 0 HG3 MET A 60 -0.534 -9.040 15.695 1.00 0.00 H new ATOM 0 HE1 MET A 60 2.094 -9.675 18.533 1.00 0.00 H new ATOM 0 HE2 MET A 60 1.378 -8.114 18.064 1.00 0.00 H new ATOM 0 HE3 MET A 60 0.372 -9.582 18.096 1.00 0.00 H new ATOM 948 N THR A 61 -2.051 -9.568 12.757 1.00 0.00 N ATOM 949 CA THR A 61 -3.518 -9.813 12.838 1.00 0.00 C ATOM 950 C THR A 61 -3.821 -11.248 12.404 1.00 0.00 C ATOM 951 O THR A 61 -2.929 -12.018 12.106 1.00 0.00 O ATOM 952 CB THR A 61 -4.250 -8.836 11.914 1.00 0.00 C ATOM 953 OG1 THR A 61 -3.971 -9.168 10.561 1.00 0.00 O ATOM 954 CG2 THR A 61 -3.778 -7.409 12.199 1.00 0.00 C ATOM 0 H THR A 61 -1.771 -8.811 12.133 1.00 0.00 H new ATOM 0 HA THR A 61 -3.854 -9.665 13.864 1.00 0.00 H new ATOM 0 HB THR A 61 -5.323 -8.903 12.091 1.00 0.00 H new ATOM 0 HG1 THR A 61 -4.440 -8.545 9.968 1.00 0.00 H new ATOM 0 HG21 THR A 61 -4.300 -6.715 11.540 1.00 0.00 H new ATOM 0 HG22 THR A 61 -3.993 -7.155 13.237 1.00 0.00 H new ATOM 0 HG23 THR A 61 -2.705 -7.339 12.023 1.00 0.00 H new ATOM 962 N GLY A 62 -5.072 -11.616 12.367 1.00 0.00 N ATOM 963 CA GLY A 62 -5.431 -13.002 11.953 1.00 0.00 C ATOM 964 C GLY A 62 -5.114 -13.190 10.469 1.00 0.00 C ATOM 965 O GLY A 62 -4.669 -12.236 9.852 1.00 0.00 O ATOM 966 OXT GLY A 62 -5.322 -14.286 9.973 1.00 0.00 O ATOM 0 H GLY A 62 -5.862 -11.016 12.606 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -4.875 -13.726 12.549 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -6.490 -13.184 12.135 1.00 0.00 H new TER 970 GLY A 62