USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 804 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 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= -0.154 X(o=-0.15,f=-0.028) USER MOD Single : A 5 GLN : amide:sc= 0.0134 X(o=0.013,f=-0.012) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 82:sc= 1.24 USER MOD Single : A 9 ASN : amide:sc= -1.09 K(o=-1.1,f=-1.9!) USER MOD Single : A 11 LYS NZ :NH3+ 137:sc= 0.136 (180deg=-0.482) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.409 K(o=-0.41,f=-6!) USER MOD Single : A 25 ASN : amide:sc= -0.795 K(o=-0.79,f=-1.9!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 175:sc= -1.23! USER MOD Single : A 41 ASN : amide:sc= -0.851 K(o=-0.85,f=-2.7!) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.625 USER MOD Single : A 47 SER OG : rot -56:sc= 1.11 USER MOD Single : A 54 SER OG : rot 92:sc= 1.26 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0.129 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.512 X(o=-0.51,f=-0.78) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -2.05 K(o=-2.1,f=-4.5!) USER MOD Single : A 80 GLN : amide:sc= -0.0277 K(o=-0.028,f=-2.3!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 ASN : amide:sc= -0.0213 K(o=-0.021,f=-1.2) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 MET CE :methyl 164:sc= -0.772 (180deg=-0.823) USER MOD Single : A 95 ASN :FLIP amide:sc= -0.552 F(o=-3.1!,f=-0.55) USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 SER OG : rot -77:sc= 1.08 USER MOD Single : A 101 GLN : amide:sc= -1.09 K(o=-1.1,f=-8.5!) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.398 12.026 -16.868 1.00 0.00 N ATOM 2 CA MET A 1 -7.265 10.672 -17.479 1.00 0.00 C ATOM 3 C MET A 1 -5.904 10.056 -17.114 1.00 0.00 C ATOM 4 O MET A 1 -4.979 10.080 -17.904 1.00 0.00 O ATOM 5 CB MET A 1 -7.359 10.908 -18.987 1.00 0.00 C ATOM 6 CG MET A 1 -8.810 10.738 -19.441 1.00 0.00 C ATOM 7 SD MET A 1 -9.140 8.988 -19.766 1.00 0.00 S ATOM 8 CE MET A 1 -10.946 9.088 -19.735 1.00 0.00 C ATOM 0 H1 MET A 1 -8.321 12.432 -17.122 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.326 11.949 -15.833 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.639 12.643 -17.222 1.00 0.00 H new ATOM 0 HA MET A 1 -8.031 9.982 -17.125 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.005 11.910 -19.232 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.716 10.205 -19.517 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.488 11.110 -18.673 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.992 11.326 -20.340 1.00 0.00 H new ATOM 0 HE1 MET A 1 -11.368 8.100 -19.917 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.274 9.449 -18.760 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.286 9.776 -20.509 1.00 0.00 H new ATOM 20 N SER A 2 -5.772 9.504 -15.924 1.00 0.00 N ATOM 21 CA SER A 2 -4.469 8.893 -15.524 1.00 0.00 C ATOM 22 C SER A 2 -4.710 7.626 -14.687 1.00 0.00 C ATOM 23 O SER A 2 -4.110 7.447 -13.645 1.00 0.00 O ATOM 24 CB SER A 2 -3.773 9.964 -14.685 1.00 0.00 C ATOM 25 OG SER A 2 -3.186 10.929 -15.549 1.00 0.00 O ATOM 0 H SER A 2 -6.509 9.453 -15.221 1.00 0.00 H new ATOM 0 HA SER A 2 -3.871 8.595 -16.385 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.490 10.444 -14.019 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.008 9.509 -14.056 1.00 0.00 H new ATOM 0 HG SER A 2 -2.740 11.619 -15.014 1.00 0.00 H new ATOM 31 N GLN A 3 -5.587 6.741 -15.130 1.00 0.00 N ATOM 32 CA GLN A 3 -5.863 5.486 -14.355 1.00 0.00 C ATOM 33 C GLN A 3 -6.228 5.818 -12.895 1.00 0.00 C ATOM 34 O GLN A 3 -5.434 5.616 -11.994 1.00 0.00 O ATOM 35 CB GLN A 3 -4.564 4.674 -14.413 1.00 0.00 C ATOM 36 CG GLN A 3 -4.218 4.361 -15.872 1.00 0.00 C ATOM 37 CD GLN A 3 -5.203 3.321 -16.420 1.00 0.00 C ATOM 38 OE1 GLN A 3 -4.978 2.134 -16.293 1.00 0.00 O ATOM 39 NE2 GLN A 3 -6.295 3.713 -17.032 1.00 0.00 N ATOM 0 H GLN A 3 -6.120 6.838 -15.994 1.00 0.00 H new ATOM 0 HA GLN A 3 -6.705 4.933 -14.771 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -3.752 5.234 -13.948 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -4.677 3.748 -13.849 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -4.263 5.271 -16.471 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -3.198 3.983 -15.942 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -6.489 4.708 -17.141 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -6.950 3.022 -17.398 1.00 0.00 H new ATOM 48 N GLU A 4 -7.423 6.321 -12.653 1.00 0.00 N ATOM 49 CA GLU A 4 -7.819 6.655 -11.243 1.00 0.00 C ATOM 50 C GLU A 4 -8.620 5.499 -10.626 1.00 0.00 C ATOM 51 O GLU A 4 -8.443 5.177 -9.466 1.00 0.00 O ATOM 52 CB GLU A 4 -8.680 7.921 -11.331 1.00 0.00 C ATOM 53 CG GLU A 4 -8.565 8.710 -10.025 1.00 0.00 C ATOM 54 CD GLU A 4 -9.687 9.747 -9.953 1.00 0.00 C ATOM 55 OE1 GLU A 4 -10.838 9.344 -9.918 1.00 0.00 O ATOM 56 OE2 GLU A 4 -9.377 10.927 -9.934 1.00 0.00 O ATOM 0 H GLU A 4 -8.131 6.512 -13.362 1.00 0.00 H new ATOM 0 HA GLU A 4 -6.946 6.814 -10.610 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -8.355 8.537 -12.170 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -9.720 7.654 -11.516 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -8.626 8.033 -9.173 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -7.595 9.204 -9.971 1.00 0.00 H new ATOM 63 N GLN A 5 -9.493 4.862 -11.384 1.00 0.00 N ATOM 64 CA GLN A 5 -10.288 3.714 -10.802 1.00 0.00 C ATOM 65 C GLN A 5 -9.330 2.664 -10.209 1.00 0.00 C ATOM 66 O GLN A 5 -9.596 2.102 -9.164 1.00 0.00 O ATOM 67 CB GLN A 5 -11.134 3.115 -11.947 1.00 0.00 C ATOM 68 CG GLN A 5 -10.229 2.520 -13.032 1.00 0.00 C ATOM 69 CD GLN A 5 -11.054 2.258 -14.299 1.00 0.00 C ATOM 70 OE1 GLN A 5 -11.550 3.183 -14.911 1.00 0.00 O ATOM 71 NE2 GLN A 5 -11.227 1.030 -14.725 1.00 0.00 N ATOM 0 H GLN A 5 -9.689 5.079 -12.361 1.00 0.00 H new ATOM 0 HA GLN A 5 -10.940 4.052 -9.996 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -11.794 2.343 -11.553 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -11.770 3.888 -12.379 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -9.410 3.205 -13.253 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -9.781 1.591 -12.678 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -10.813 0.250 -14.215 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -11.776 0.855 -15.567 1.00 0.00 H new ATOM 80 N TYR A 6 -8.199 2.429 -10.844 1.00 0.00 N ATOM 81 CA TYR A 6 -7.217 1.447 -10.268 1.00 0.00 C ATOM 82 C TYR A 6 -6.505 2.105 -9.075 1.00 0.00 C ATOM 83 O TYR A 6 -6.212 1.456 -8.092 1.00 0.00 O ATOM 84 CB TYR A 6 -6.204 1.119 -11.378 1.00 0.00 C ATOM 85 CG TYR A 6 -6.842 0.213 -12.402 1.00 0.00 C ATOM 86 CD1 TYR A 6 -7.588 0.760 -13.452 1.00 0.00 C ATOM 87 CD2 TYR A 6 -6.686 -1.176 -12.303 1.00 0.00 C ATOM 88 CE1 TYR A 6 -8.178 -0.081 -14.404 1.00 0.00 C ATOM 89 CE2 TYR A 6 -7.276 -2.017 -13.254 1.00 0.00 C ATOM 90 CZ TYR A 6 -8.022 -1.468 -14.305 1.00 0.00 C ATOM 91 OH TYR A 6 -8.604 -2.297 -15.243 1.00 0.00 O ATOM 0 H TYR A 6 -7.918 2.867 -11.721 1.00 0.00 H new ATOM 0 HA TYR A 6 -7.708 0.537 -9.923 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -5.863 2.038 -11.855 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -5.325 0.637 -10.950 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -7.709 1.831 -13.528 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -6.110 -1.598 -11.493 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -8.753 0.341 -15.215 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -7.156 -3.088 -13.178 1.00 0.00 H new ATOM 0 HH TYR A 6 -8.397 -3.230 -15.028 1.00 0.00 H new ATOM 101 N THR A 7 -6.235 3.395 -9.152 1.00 0.00 N ATOM 102 CA THR A 7 -5.552 4.088 -8.004 1.00 0.00 C ATOM 103 C THR A 7 -6.494 4.139 -6.791 1.00 0.00 C ATOM 104 O THR A 7 -6.066 3.947 -5.668 1.00 0.00 O ATOM 105 CB THR A 7 -5.223 5.512 -8.497 1.00 0.00 C ATOM 106 OG1 THR A 7 -4.302 5.434 -9.575 1.00 0.00 O ATOM 107 CG2 THR A 7 -4.613 6.352 -7.369 1.00 0.00 C ATOM 0 H THR A 7 -6.456 3.990 -9.950 1.00 0.00 H new ATOM 0 HA THR A 7 -4.649 3.563 -7.694 1.00 0.00 H new ATOM 0 HB THR A 7 -6.147 5.989 -8.825 1.00 0.00 H new ATOM 0 HG1 THR A 7 -4.787 5.249 -10.407 1.00 0.00 H new ATOM 0 HG21 THR A 7 -4.389 7.352 -7.740 1.00 0.00 H new ATOM 0 HG22 THR A 7 -5.321 6.421 -6.543 1.00 0.00 H new ATOM 0 HG23 THR A 7 -3.694 5.880 -7.020 1.00 0.00 H new ATOM 115 N GLU A 8 -7.770 4.391 -7.002 1.00 0.00 N ATOM 116 CA GLU A 8 -8.713 4.442 -5.830 1.00 0.00 C ATOM 117 C GLU A 8 -8.879 3.039 -5.239 1.00 0.00 C ATOM 118 O GLU A 8 -8.909 2.875 -4.032 1.00 0.00 O ATOM 119 CB GLU A 8 -10.058 4.969 -6.355 1.00 0.00 C ATOM 120 CG GLU A 8 -9.986 6.490 -6.506 1.00 0.00 C ATOM 121 CD GLU A 8 -10.106 7.147 -5.129 1.00 0.00 C ATOM 122 OE1 GLU A 8 -10.898 6.670 -4.334 1.00 0.00 O ATOM 123 OE2 GLU A 8 -9.405 8.117 -4.894 1.00 0.00 O ATOM 0 H GLU A 8 -8.193 4.560 -7.915 1.00 0.00 H new ATOM 0 HA GLU A 8 -8.331 5.092 -5.043 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -10.292 4.508 -7.315 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -10.860 4.699 -5.668 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -9.045 6.775 -6.976 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -10.786 6.839 -7.158 1.00 0.00 H new ATOM 130 N ASN A 9 -8.957 2.020 -6.068 1.00 0.00 N ATOM 131 CA ASN A 9 -9.087 0.630 -5.515 1.00 0.00 C ATOM 132 C ASN A 9 -7.713 0.157 -5.028 1.00 0.00 C ATOM 133 O ASN A 9 -7.603 -0.470 -3.990 1.00 0.00 O ATOM 134 CB ASN A 9 -9.597 -0.261 -6.658 1.00 0.00 C ATOM 135 CG ASN A 9 -11.024 0.158 -7.035 1.00 0.00 C ATOM 136 OD1 ASN A 9 -11.240 1.263 -7.493 1.00 0.00 O ATOM 137 ND2 ASN A 9 -12.019 -0.678 -6.862 1.00 0.00 N ATOM 0 H ASN A 9 -8.937 2.088 -7.086 1.00 0.00 H new ATOM 0 HA ASN A 9 -9.778 0.591 -4.673 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -8.940 -0.173 -7.523 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -9.582 -1.307 -6.352 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -12.968 -0.400 -7.111 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -11.844 -1.607 -6.478 1.00 0.00 H new ATOM 144 N LEU A 10 -6.658 0.476 -5.751 1.00 0.00 N ATOM 145 CA LEU A 10 -5.289 0.060 -5.290 1.00 0.00 C ATOM 146 C LEU A 10 -4.921 0.836 -4.017 1.00 0.00 C ATOM 147 O LEU A 10 -4.283 0.300 -3.130 1.00 0.00 O ATOM 148 CB LEU A 10 -4.310 0.396 -6.426 1.00 0.00 C ATOM 149 CG LEU A 10 -2.906 -0.079 -6.049 1.00 0.00 C ATOM 150 CD1 LEU A 10 -2.894 -1.605 -5.937 1.00 0.00 C ATOM 151 CD2 LEU A 10 -1.914 0.358 -7.129 1.00 0.00 C ATOM 0 H LEU A 10 -6.685 0.998 -6.627 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.253 -1.005 -5.059 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -4.631 -0.084 -7.351 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.305 1.470 -6.609 1.00 0.00 H new ATOM 0 HG LEU A 10 -2.621 0.358 -5.092 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -1.893 -1.942 -5.668 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.601 -1.919 -5.169 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.180 -2.042 -6.894 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.913 0.020 -6.862 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.201 -0.079 -8.085 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.920 1.445 -7.211 1.00 0.00 H new ATOM 163 N LYS A 11 -5.324 2.091 -3.905 1.00 0.00 N ATOM 164 CA LYS A 11 -4.987 2.867 -2.658 1.00 0.00 C ATOM 165 C LYS A 11 -5.589 2.172 -1.426 1.00 0.00 C ATOM 166 O LYS A 11 -5.000 2.187 -0.361 1.00 0.00 O ATOM 167 CB LYS A 11 -5.591 4.271 -2.825 1.00 0.00 C ATOM 168 CG LYS A 11 -5.196 5.142 -1.631 1.00 0.00 C ATOM 169 CD LYS A 11 -6.331 6.120 -1.315 1.00 0.00 C ATOM 170 CE LYS A 11 -6.257 7.314 -2.269 1.00 0.00 C ATOM 171 NZ LYS A 11 -7.215 6.992 -3.363 1.00 0.00 N ATOM 0 H LYS A 11 -5.860 2.600 -4.608 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.908 2.925 -2.514 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.237 4.723 -3.751 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -6.677 4.205 -2.897 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.989 4.516 -0.763 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -4.281 5.690 -1.854 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -7.294 5.620 -1.415 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.255 6.461 -0.282 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -6.531 8.240 -1.764 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -5.247 7.448 -2.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -7.769 7.840 -3.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -6.689 6.676 -4.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -7.856 6.235 -3.051 1.00 0.00 H new ATOM 185 N VAL A 12 -6.747 1.552 -1.556 1.00 0.00 N ATOM 186 CA VAL A 12 -7.346 0.853 -0.366 1.00 0.00 C ATOM 187 C VAL A 12 -6.562 -0.436 -0.093 1.00 0.00 C ATOM 188 O VAL A 12 -6.231 -0.735 1.039 1.00 0.00 O ATOM 189 CB VAL A 12 -8.805 0.532 -0.731 1.00 0.00 C ATOM 190 CG1 VAL A 12 -9.476 -0.208 0.429 1.00 0.00 C ATOM 191 CG2 VAL A 12 -9.559 1.835 -1.006 1.00 0.00 C ATOM 0 H VAL A 12 -7.292 1.501 -2.416 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.305 1.470 0.531 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.824 -0.097 -1.621 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.510 -0.434 0.167 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.940 -1.137 0.627 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.456 0.419 1.320 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.593 1.609 -1.265 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.537 2.463 -0.115 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -9.085 2.362 -1.834 1.00 0.00 H new ATOM 201 N ILE A 13 -6.253 -1.193 -1.122 1.00 0.00 N ATOM 202 CA ILE A 13 -5.471 -2.459 -0.900 1.00 0.00 C ATOM 203 C ILE A 13 -4.053 -2.114 -0.415 1.00 0.00 C ATOM 204 O ILE A 13 -3.497 -2.815 0.411 1.00 0.00 O ATOM 205 CB ILE A 13 -5.428 -3.197 -2.252 1.00 0.00 C ATOM 206 CG1 ILE A 13 -6.864 -3.513 -2.699 1.00 0.00 C ATOM 207 CG2 ILE A 13 -4.639 -4.501 -2.104 1.00 0.00 C ATOM 208 CD1 ILE A 13 -7.004 -3.282 -4.206 1.00 0.00 C ATOM 0 H ILE A 13 -6.502 -0.996 -2.091 1.00 0.00 H new ATOM 0 HA ILE A 13 -5.932 -3.088 -0.139 1.00 0.00 H new ATOM 0 HB ILE A 13 -4.941 -2.567 -2.996 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -7.110 -4.547 -2.456 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -7.569 -2.882 -2.159 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -4.611 -5.020 -3.062 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -3.622 -4.276 -1.783 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -5.122 -5.136 -1.361 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -8.024 -3.508 -4.515 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -6.777 -2.241 -4.437 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -6.311 -3.932 -4.740 1.00 0.00 H new ATOM 220 N VAL A 14 -3.468 -1.033 -0.897 1.00 0.00 N ATOM 221 CA VAL A 14 -2.090 -0.665 -0.416 1.00 0.00 C ATOM 222 C VAL A 14 -2.170 -0.257 1.063 1.00 0.00 C ATOM 223 O VAL A 14 -1.334 -0.638 1.860 1.00 0.00 O ATOM 224 CB VAL A 14 -1.613 0.519 -1.278 1.00 0.00 C ATOM 225 CG1 VAL A 14 -0.212 0.945 -0.836 1.00 0.00 C ATOM 226 CG2 VAL A 14 -1.573 0.099 -2.749 1.00 0.00 C ATOM 0 H VAL A 14 -3.876 -0.403 -1.588 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.395 -1.500 -0.504 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.303 1.354 -1.155 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.123 1.783 -1.447 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.237 1.247 0.211 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.477 0.109 -0.956 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.235 0.938 -3.358 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.885 -0.737 -2.870 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -2.570 -0.203 -3.068 1.00 0.00 H new ATOM 236 N ALA A 15 -3.180 0.507 1.443 1.00 0.00 N ATOM 237 CA ALA A 15 -3.302 0.914 2.890 1.00 0.00 C ATOM 238 C ALA A 15 -3.430 -0.336 3.779 1.00 0.00 C ATOM 239 O ALA A 15 -2.938 -0.356 4.892 1.00 0.00 O ATOM 240 CB ALA A 15 -4.570 1.775 3.004 1.00 0.00 C ATOM 0 H ALA A 15 -3.912 0.860 0.826 1.00 0.00 H new ATOM 0 HA ALA A 15 -2.423 1.469 3.217 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.701 2.095 4.038 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.474 2.651 2.363 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.436 1.191 2.692 1.00 0.00 H new ATOM 246 N GLU A 16 -4.084 -1.384 3.306 1.00 0.00 N ATOM 247 CA GLU A 16 -4.225 -2.628 4.151 1.00 0.00 C ATOM 248 C GLU A 16 -2.842 -3.127 4.604 1.00 0.00 C ATOM 249 O GLU A 16 -2.686 -3.592 5.718 1.00 0.00 O ATOM 250 CB GLU A 16 -4.897 -3.690 3.264 1.00 0.00 C ATOM 251 CG GLU A 16 -5.267 -4.908 4.112 1.00 0.00 C ATOM 252 CD GLU A 16 -5.269 -6.159 3.232 1.00 0.00 C ATOM 253 OE1 GLU A 16 -4.205 -6.541 2.775 1.00 0.00 O ATOM 254 OE2 GLU A 16 -6.337 -6.715 3.030 1.00 0.00 O ATOM 0 H GLU A 16 -4.520 -1.432 2.385 1.00 0.00 H new ATOM 0 HA GLU A 16 -4.815 -2.425 5.045 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -5.790 -3.275 2.796 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.223 -3.985 2.460 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.555 -5.026 4.929 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -6.249 -4.766 4.563 1.00 0.00 H new ATOM 261 N LYS A 17 -1.836 -3.030 3.756 1.00 0.00 N ATOM 262 CA LYS A 17 -0.469 -3.504 4.170 1.00 0.00 C ATOM 263 C LYS A 17 0.211 -2.437 5.042 1.00 0.00 C ATOM 264 O LYS A 17 0.716 -2.739 6.109 1.00 0.00 O ATOM 265 CB LYS A 17 0.330 -3.728 2.878 1.00 0.00 C ATOM 266 CG LYS A 17 1.386 -4.810 3.113 1.00 0.00 C ATOM 267 CD LYS A 17 0.704 -6.175 3.224 1.00 0.00 C ATOM 268 CE LYS A 17 1.461 -7.046 4.228 1.00 0.00 C ATOM 269 NZ LYS A 17 0.414 -7.885 4.876 1.00 0.00 N ATOM 0 H LYS A 17 -1.900 -2.650 2.812 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.527 -4.423 4.754 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -0.339 -4.027 2.071 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.808 -2.799 2.568 1.00 0.00 H new ATOM 0 HG2 LYS A 17 2.104 -4.816 2.293 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.945 -4.596 4.024 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -0.331 -6.051 3.542 1.00 0.00 H new ATOM 0 HD3 LYS A 17 0.681 -6.662 2.249 1.00 0.00 H new ATOM 0 HE2 LYS A 17 2.209 -7.663 3.730 1.00 0.00 H new ATOM 0 HE3 LYS A 17 1.988 -6.436 4.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 0.856 -8.511 5.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -0.280 -7.271 5.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -0.066 -8.460 4.154 1.00 0.00 H new ATOM 283 N LEU A 18 0.223 -1.191 4.610 1.00 0.00 N ATOM 284 CA LEU A 18 0.872 -0.121 5.449 1.00 0.00 C ATOM 285 C LEU A 18 0.118 0.012 6.776 1.00 0.00 C ATOM 286 O LEU A 18 0.708 -0.051 7.838 1.00 0.00 O ATOM 287 CB LEU A 18 0.761 1.185 4.660 1.00 0.00 C ATOM 288 CG LEU A 18 1.536 1.058 3.353 1.00 0.00 C ATOM 289 CD1 LEU A 18 0.837 1.887 2.275 1.00 0.00 C ATOM 290 CD2 LEU A 18 2.962 1.568 3.562 1.00 0.00 C ATOM 0 H LEU A 18 -0.181 -0.872 3.729 1.00 0.00 H new ATOM 0 HA LEU A 18 1.913 -0.362 5.665 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.285 1.410 4.454 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.155 2.013 5.250 1.00 0.00 H new ATOM 0 HG LEU A 18 1.572 0.015 3.039 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.386 1.801 1.337 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.180 1.520 2.136 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.806 2.932 2.583 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.520 1.479 2.630 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.933 2.613 3.870 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.451 0.976 4.336 1.00 0.00 H new ATOM 302 N ALA A 19 -1.188 0.180 6.723 1.00 0.00 N ATOM 303 CA ALA A 19 -1.973 0.300 8.001 1.00 0.00 C ATOM 304 C ALA A 19 -1.818 -0.991 8.830 1.00 0.00 C ATOM 305 O ALA A 19 -1.887 -0.956 10.044 1.00 0.00 O ATOM 306 CB ALA A 19 -3.444 0.504 7.602 1.00 0.00 C ATOM 0 H ALA A 19 -1.737 0.238 5.865 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.618 1.133 8.608 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -4.055 0.597 8.500 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.537 1.411 7.005 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.785 -0.351 7.018 1.00 0.00 H new ATOM 312 N GLY A 20 -1.611 -2.133 8.191 1.00 0.00 N ATOM 313 CA GLY A 20 -1.457 -3.403 8.957 1.00 0.00 C ATOM 314 C GLY A 20 -0.072 -3.458 9.625 1.00 0.00 C ATOM 315 O GLY A 20 0.062 -3.976 10.718 1.00 0.00 O ATOM 0 H GLY A 20 -1.544 -2.228 7.178 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.237 -3.476 9.715 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -1.581 -4.256 8.289 1.00 0.00 H new ATOM 319 N ILE A 21 0.964 -2.936 8.988 1.00 0.00 N ATOM 320 CA ILE A 21 2.329 -2.988 9.634 1.00 0.00 C ATOM 321 C ILE A 21 2.291 -2.228 10.978 1.00 0.00 C ATOM 322 O ILE A 21 1.776 -1.130 11.039 1.00 0.00 O ATOM 323 CB ILE A 21 3.313 -2.317 8.653 1.00 0.00 C ATOM 324 CG1 ILE A 21 3.365 -3.123 7.349 1.00 0.00 C ATOM 325 CG2 ILE A 21 4.715 -2.274 9.268 1.00 0.00 C ATOM 326 CD1 ILE A 21 3.579 -2.179 6.160 1.00 0.00 C ATOM 0 H ILE A 21 0.927 -2.487 8.073 1.00 0.00 H new ATOM 0 HA ILE A 21 2.638 -4.013 9.840 1.00 0.00 H new ATOM 0 HB ILE A 21 2.974 -1.301 8.449 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.173 -3.853 7.395 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.438 -3.681 7.219 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.404 -1.799 8.570 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.688 -1.703 10.196 1.00 0.00 H new ATOM 0 HG23 ILE A 21 5.052 -3.289 9.476 1.00 0.00 H new ATOM 0 HD11 ILE A 21 3.615 -2.758 5.237 1.00 0.00 H new ATOM 0 HD12 ILE A 21 2.756 -1.466 6.109 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.518 -1.641 6.287 1.00 0.00 H new ATOM 338 N PRO A 22 2.829 -2.833 12.021 1.00 0.00 N ATOM 339 CA PRO A 22 2.825 -2.173 13.353 1.00 0.00 C ATOM 340 C PRO A 22 3.834 -1.015 13.393 1.00 0.00 C ATOM 341 O PRO A 22 3.560 0.027 13.957 1.00 0.00 O ATOM 342 CB PRO A 22 3.240 -3.286 14.311 1.00 0.00 C ATOM 343 CG PRO A 22 4.018 -4.249 13.474 1.00 0.00 C ATOM 344 CD PRO A 22 3.479 -4.154 12.070 1.00 0.00 C ATOM 0 HA PRO A 22 1.858 -1.737 13.604 1.00 0.00 H new ATOM 0 HB2 PRO A 22 3.845 -2.896 15.130 1.00 0.00 H new ATOM 0 HB3 PRO A 22 2.370 -3.766 14.759 1.00 0.00 H new ATOM 0 HG2 PRO A 22 5.081 -4.007 13.496 1.00 0.00 H new ATOM 0 HG3 PRO A 22 3.915 -5.264 13.858 1.00 0.00 H new ATOM 0 HD2 PRO A 22 4.276 -4.233 11.331 1.00 0.00 H new ATOM 0 HD3 PRO A 22 2.770 -4.955 11.861 1.00 0.00 H new ATOM 352 N ASN A 23 4.997 -1.186 12.801 1.00 0.00 N ATOM 353 CA ASN A 23 6.019 -0.072 12.819 1.00 0.00 C ATOM 354 C ASN A 23 5.418 1.214 12.226 1.00 0.00 C ATOM 355 O ASN A 23 5.691 2.301 12.699 1.00 0.00 O ATOM 356 CB ASN A 23 7.204 -0.544 11.962 1.00 0.00 C ATOM 357 CG ASN A 23 7.866 -1.758 12.627 1.00 0.00 C ATOM 358 OD1 ASN A 23 7.187 -2.668 13.058 1.00 0.00 O ATOM 359 ND2 ASN A 23 9.172 -1.814 12.732 1.00 0.00 N ATOM 0 H ASN A 23 5.284 -2.034 12.312 1.00 0.00 H new ATOM 0 HA ASN A 23 6.334 0.150 13.838 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.861 -0.806 10.961 1.00 0.00 H new ATOM 0 HB3 ASN A 23 7.929 0.262 11.849 1.00 0.00 H new ATOM 0 HD21 ASN A 23 9.614 -2.620 13.174 1.00 0.00 H new ATOM 0 HD22 ASN A 23 9.746 -1.052 12.371 1.00 0.00 H new ATOM 366 N PHE A 24 4.606 1.102 11.194 1.00 0.00 N ATOM 367 CA PHE A 24 3.997 2.344 10.583 1.00 0.00 C ATOM 368 C PHE A 24 3.209 3.127 11.648 1.00 0.00 C ATOM 369 O PHE A 24 2.298 2.601 12.258 1.00 0.00 O ATOM 370 CB PHE A 24 3.044 1.884 9.458 1.00 0.00 C ATOM 371 CG PHE A 24 3.669 2.169 8.112 1.00 0.00 C ATOM 372 CD1 PHE A 24 4.666 1.326 7.608 1.00 0.00 C ATOM 373 CD2 PHE A 24 3.249 3.279 7.369 1.00 0.00 C ATOM 374 CE1 PHE A 24 5.244 1.593 6.362 1.00 0.00 C ATOM 375 CE2 PHE A 24 3.827 3.545 6.122 1.00 0.00 C ATOM 376 CZ PHE A 24 4.824 2.703 5.618 1.00 0.00 C ATOM 0 H PHE A 24 4.340 0.222 10.752 1.00 0.00 H new ATOM 0 HA PHE A 24 4.775 2.998 10.189 1.00 0.00 H new ATOM 0 HB2 PHE A 24 2.838 0.818 9.556 1.00 0.00 H new ATOM 0 HB3 PHE A 24 2.089 2.402 9.543 1.00 0.00 H new ATOM 0 HD1 PHE A 24 4.989 0.469 8.181 1.00 0.00 H new ATOM 0 HD2 PHE A 24 2.480 3.930 7.758 1.00 0.00 H new ATOM 0 HE1 PHE A 24 6.014 0.943 5.974 1.00 0.00 H new ATOM 0 HE2 PHE A 24 3.503 4.401 5.549 1.00 0.00 H new ATOM 0 HZ PHE A 24 5.270 2.909 4.656 1.00 0.00 H new ATOM 386 N ASN A 25 3.548 4.381 11.873 1.00 0.00 N ATOM 387 CA ASN A 25 2.811 5.187 12.892 1.00 0.00 C ATOM 388 C ASN A 25 2.073 6.347 12.208 1.00 0.00 C ATOM 389 O ASN A 25 0.868 6.477 12.330 1.00 0.00 O ATOM 390 CB ASN A 25 3.888 5.717 13.838 1.00 0.00 C ATOM 391 CG ASN A 25 4.560 4.541 14.561 1.00 0.00 C ATOM 392 OD1 ASN A 25 5.709 4.240 14.307 1.00 0.00 O ATOM 393 ND2 ASN A 25 3.891 3.857 15.457 1.00 0.00 N ATOM 0 H ASN A 25 4.301 4.874 11.394 1.00 0.00 H new ATOM 0 HA ASN A 25 2.062 4.600 13.423 1.00 0.00 H new ATOM 0 HB2 ASN A 25 4.631 6.286 13.278 1.00 0.00 H new ATOM 0 HB3 ASN A 25 3.445 6.399 14.564 1.00 0.00 H new ATOM 0 HD21 ASN A 25 4.336 3.075 15.938 1.00 0.00 H new ATOM 0 HD22 ASN A 25 2.926 4.107 15.673 1.00 0.00 H new ATOM 400 N GLU A 26 2.781 7.193 11.486 1.00 0.00 N ATOM 401 CA GLU A 26 2.110 8.336 10.797 1.00 0.00 C ATOM 402 C GLU A 26 2.431 8.305 9.294 1.00 0.00 C ATOM 403 O GLU A 26 3.163 7.451 8.834 1.00 0.00 O ATOM 404 CB GLU A 26 2.697 9.591 11.448 1.00 0.00 C ATOM 405 CG GLU A 26 1.588 10.622 11.670 1.00 0.00 C ATOM 406 CD GLU A 26 1.016 10.461 13.080 1.00 0.00 C ATOM 407 OE1 GLU A 26 0.839 9.330 13.500 1.00 0.00 O ATOM 408 OE2 GLU A 26 0.763 11.472 13.714 1.00 0.00 O ATOM 0 H GLU A 26 3.790 7.136 11.348 1.00 0.00 H new ATOM 0 HA GLU A 26 1.025 8.300 10.892 1.00 0.00 H new ATOM 0 HB2 GLU A 26 3.165 9.335 12.399 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.476 10.012 10.813 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.982 11.630 11.539 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.800 10.489 10.929 1.00 0.00 H new ATOM 415 N ASP A 27 1.890 9.229 8.519 1.00 0.00 N ATOM 416 CA ASP A 27 2.170 9.247 7.044 1.00 0.00 C ATOM 417 C ASP A 27 1.884 7.869 6.418 1.00 0.00 C ATOM 418 O ASP A 27 2.675 7.364 5.644 1.00 0.00 O ATOM 419 CB ASP A 27 3.654 9.598 6.915 1.00 0.00 C ATOM 420 CG ASP A 27 3.871 11.058 7.315 1.00 0.00 C ATOM 421 OD1 ASP A 27 3.416 11.433 8.383 1.00 0.00 O ATOM 422 OD2 ASP A 27 4.487 11.778 6.546 1.00 0.00 O ATOM 0 H ASP A 27 1.269 9.968 8.848 1.00 0.00 H new ATOM 0 HA ASP A 27 1.537 9.965 6.523 1.00 0.00 H new ATOM 0 HB2 ASP A 27 4.250 8.943 7.551 1.00 0.00 H new ATOM 0 HB3 ASP A 27 3.989 9.437 5.890 1.00 0.00 H new ATOM 427 N ILE A 28 0.763 7.257 6.743 1.00 0.00 N ATOM 428 CA ILE A 28 0.444 5.914 6.157 1.00 0.00 C ATOM 429 C ILE A 28 -0.507 6.064 4.951 1.00 0.00 C ATOM 430 O ILE A 28 -0.373 5.353 3.972 1.00 0.00 O ATOM 431 CB ILE A 28 -0.178 5.092 7.315 1.00 0.00 C ATOM 432 CG1 ILE A 28 -0.190 3.593 6.958 1.00 0.00 C ATOM 433 CG2 ILE A 28 -1.603 5.565 7.642 1.00 0.00 C ATOM 434 CD1 ILE A 28 -1.130 3.311 5.777 1.00 0.00 C ATOM 0 H ILE A 28 0.062 7.628 7.384 1.00 0.00 H new ATOM 0 HA ILE A 28 1.326 5.407 5.766 1.00 0.00 H new ATOM 0 HB ILE A 28 0.439 5.248 8.200 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.820 3.268 6.708 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.506 3.013 7.825 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.007 4.966 8.458 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.579 6.614 7.939 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -2.235 5.451 6.761 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.117 2.245 5.548 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.144 3.614 6.039 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -0.797 3.873 4.905 1.00 0.00 H new ATOM 446 N LYS A 29 -1.451 6.982 4.998 1.00 0.00 N ATOM 447 CA LYS A 29 -2.377 7.151 3.823 1.00 0.00 C ATOM 448 C LYS A 29 -1.597 7.749 2.645 1.00 0.00 C ATOM 449 O LYS A 29 -1.724 7.297 1.522 1.00 0.00 O ATOM 450 CB LYS A 29 -3.496 8.108 4.267 1.00 0.00 C ATOM 451 CG LYS A 29 -4.507 7.349 5.128 1.00 0.00 C ATOM 452 CD LYS A 29 -5.625 6.801 4.238 1.00 0.00 C ATOM 453 CE LYS A 29 -6.516 7.954 3.770 1.00 0.00 C ATOM 454 NZ LYS A 29 -7.869 7.352 3.609 1.00 0.00 N ATOM 0 H LYS A 29 -1.619 7.611 5.783 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.797 6.197 3.504 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -3.075 8.940 4.831 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.992 8.533 3.395 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -4.012 6.532 5.654 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -4.923 8.011 5.887 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -5.199 6.284 3.378 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.217 6.070 4.788 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -6.528 8.765 4.499 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.157 8.375 2.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.538 8.082 3.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.827 6.588 2.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.188 6.966 4.520 1.00 0.00 H new ATOM 468 N TYR A 30 -0.776 8.752 2.890 1.00 0.00 N ATOM 469 CA TYR A 30 0.021 9.352 1.761 1.00 0.00 C ATOM 470 C TYR A 30 0.956 8.287 1.164 1.00 0.00 C ATOM 471 O TYR A 30 1.161 8.243 -0.035 1.00 0.00 O ATOM 472 CB TYR A 30 0.843 10.507 2.356 1.00 0.00 C ATOM 473 CG TYR A 30 -0.054 11.701 2.578 1.00 0.00 C ATOM 474 CD1 TYR A 30 -0.239 12.637 1.555 1.00 0.00 C ATOM 475 CD2 TYR A 30 -0.699 11.871 3.809 1.00 0.00 C ATOM 476 CE1 TYR A 30 -1.070 13.745 1.761 1.00 0.00 C ATOM 477 CE2 TYR A 30 -1.531 12.979 4.016 1.00 0.00 C ATOM 478 CZ TYR A 30 -1.716 13.916 2.992 1.00 0.00 C ATOM 479 OH TYR A 30 -2.535 15.008 3.195 1.00 0.00 O ATOM 0 H TYR A 30 -0.625 9.175 3.806 1.00 0.00 H new ATOM 0 HA TYR A 30 -0.631 9.713 0.966 1.00 0.00 H new ATOM 0 HB2 TYR A 30 1.295 10.198 3.299 1.00 0.00 H new ATOM 0 HB3 TYR A 30 1.659 10.772 1.683 1.00 0.00 H new ATOM 0 HD1 TYR A 30 0.259 12.505 0.606 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -0.555 11.148 4.599 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -1.213 14.467 0.971 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -2.030 13.110 4.965 1.00 0.00 H new ATOM 0 HH TYR A 30 -2.906 14.975 4.102 1.00 0.00 H new ATOM 489 N VAL A 31 1.524 7.425 1.986 1.00 0.00 N ATOM 490 CA VAL A 31 2.444 6.363 1.439 1.00 0.00 C ATOM 491 C VAL A 31 1.684 5.490 0.421 1.00 0.00 C ATOM 492 O VAL A 31 2.222 5.135 -0.610 1.00 0.00 O ATOM 493 CB VAL A 31 2.926 5.533 2.659 1.00 0.00 C ATOM 494 CG1 VAL A 31 3.582 4.218 2.210 1.00 0.00 C ATOM 495 CG2 VAL A 31 3.956 6.349 3.440 1.00 0.00 C ATOM 0 H VAL A 31 1.393 7.410 2.997 1.00 0.00 H new ATOM 0 HA VAL A 31 3.298 6.790 0.913 1.00 0.00 H new ATOM 0 HB VAL A 31 2.061 5.300 3.280 1.00 0.00 H new ATOM 0 HG11 VAL A 31 3.910 3.657 3.085 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.860 3.625 1.648 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.442 4.438 1.577 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.300 5.774 4.299 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.803 6.579 2.794 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.500 7.277 3.784 1.00 0.00 H new ATOM 505 N ALA A 32 0.444 5.146 0.696 1.00 0.00 N ATOM 506 CA ALA A 32 -0.320 4.296 -0.285 1.00 0.00 C ATOM 507 C ALA A 32 -0.519 5.069 -1.595 1.00 0.00 C ATOM 508 O ALA A 32 -0.335 4.526 -2.669 1.00 0.00 O ATOM 509 CB ALA A 32 -1.679 3.979 0.358 1.00 0.00 C ATOM 0 H ALA A 32 -0.066 5.410 1.539 1.00 0.00 H new ATOM 0 HA ALA A 32 0.220 3.378 -0.515 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -2.268 3.362 -0.321 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -1.522 3.441 1.293 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.212 4.908 0.559 1.00 0.00 H new ATOM 515 N GLU A 33 -0.881 6.333 -1.522 1.00 0.00 N ATOM 516 CA GLU A 33 -1.076 7.124 -2.789 1.00 0.00 C ATOM 517 C GLU A 33 0.249 7.196 -3.558 1.00 0.00 C ATOM 518 O GLU A 33 0.279 7.021 -4.763 1.00 0.00 O ATOM 519 CB GLU A 33 -1.532 8.533 -2.376 1.00 0.00 C ATOM 520 CG GLU A 33 -2.977 8.475 -1.875 1.00 0.00 C ATOM 521 CD GLU A 33 -3.171 9.502 -0.758 1.00 0.00 C ATOM 522 OE1 GLU A 33 -3.120 10.685 -1.053 1.00 0.00 O ATOM 523 OE2 GLU A 33 -3.367 9.088 0.373 1.00 0.00 O ATOM 0 H GLU A 33 -1.048 6.845 -0.656 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.818 6.657 -3.437 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.880 8.923 -1.594 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.457 9.214 -3.224 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.666 8.679 -2.695 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.206 7.475 -1.508 1.00 0.00 H new ATOM 530 N TYR A 34 1.347 7.427 -2.872 1.00 0.00 N ATOM 531 CA TYR A 34 2.671 7.476 -3.589 1.00 0.00 C ATOM 532 C TYR A 34 3.004 6.074 -4.122 1.00 0.00 C ATOM 533 O TYR A 34 3.513 5.929 -5.218 1.00 0.00 O ATOM 534 CB TYR A 34 3.717 7.936 -2.551 1.00 0.00 C ATOM 535 CG TYR A 34 5.127 7.923 -3.127 1.00 0.00 C ATOM 536 CD1 TYR A 34 5.361 8.113 -4.502 1.00 0.00 C ATOM 537 CD2 TYR A 34 6.210 7.735 -2.260 1.00 0.00 C ATOM 538 CE1 TYR A 34 6.671 8.115 -4.996 1.00 0.00 C ATOM 539 CE2 TYR A 34 7.517 7.734 -2.755 1.00 0.00 C ATOM 540 CZ TYR A 34 7.749 7.925 -4.122 1.00 0.00 C ATOM 541 OH TYR A 34 9.040 7.931 -4.608 1.00 0.00 O ATOM 0 H TYR A 34 1.388 7.582 -1.865 1.00 0.00 H new ATOM 0 HA TYR A 34 2.655 8.161 -4.437 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.473 8.942 -2.210 1.00 0.00 H new ATOM 0 HB3 TYR A 34 3.675 7.284 -1.678 1.00 0.00 H new ATOM 0 HD1 TYR A 34 4.530 8.257 -5.176 1.00 0.00 H new ATOM 0 HD2 TYR A 34 6.035 7.590 -1.204 1.00 0.00 H new ATOM 0 HE1 TYR A 34 6.850 8.263 -6.051 1.00 0.00 H new ATOM 0 HE2 TYR A 34 8.349 7.586 -2.082 1.00 0.00 H new ATOM 0 HH TYR A 34 9.671 7.867 -3.861 1.00 0.00 H new ATOM 551 N ILE A 35 2.704 5.037 -3.364 1.00 0.00 N ATOM 552 CA ILE A 35 2.992 3.644 -3.854 1.00 0.00 C ATOM 553 C ILE A 35 2.179 3.383 -5.132 1.00 0.00 C ATOM 554 O ILE A 35 2.710 2.895 -6.112 1.00 0.00 O ATOM 555 CB ILE A 35 2.586 2.695 -2.705 1.00 0.00 C ATOM 556 CG1 ILE A 35 3.611 2.832 -1.578 1.00 0.00 C ATOM 557 CG2 ILE A 35 2.553 1.236 -3.173 1.00 0.00 C ATOM 558 CD1 ILE A 35 3.013 2.298 -0.281 1.00 0.00 C ATOM 0 H ILE A 35 2.278 5.094 -2.439 1.00 0.00 H new ATOM 0 HA ILE A 35 4.041 3.493 -4.108 1.00 0.00 H new ATOM 0 HB ILE A 35 1.587 2.967 -2.363 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.518 2.281 -1.827 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.897 3.877 -1.456 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.264 0.594 -2.341 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.830 1.130 -3.982 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.541 0.946 -3.529 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.743 2.395 0.523 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.119 2.869 -0.031 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.750 1.248 -0.407 1.00 0.00 H new ATOM 570 N VAL A 36 0.906 3.727 -5.146 1.00 0.00 N ATOM 571 CA VAL A 36 0.100 3.509 -6.400 1.00 0.00 C ATOM 572 C VAL A 36 0.686 4.385 -7.516 1.00 0.00 C ATOM 573 O VAL A 36 0.832 3.942 -8.640 1.00 0.00 O ATOM 574 CB VAL A 36 -1.351 3.917 -6.090 1.00 0.00 C ATOM 575 CG1 VAL A 36 -2.219 3.726 -7.342 1.00 0.00 C ATOM 576 CG2 VAL A 36 -1.894 3.038 -4.954 1.00 0.00 C ATOM 0 H VAL A 36 0.399 4.140 -4.363 1.00 0.00 H new ATOM 0 HA VAL A 36 0.128 2.469 -6.725 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.377 4.964 -5.788 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.246 4.016 -7.120 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.833 4.347 -8.150 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.195 2.679 -7.646 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.922 3.325 -4.732 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.867 1.992 -5.259 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.279 3.173 -4.064 1.00 0.00 H new ATOM 586 N LEU A 37 1.054 5.617 -7.212 1.00 0.00 N ATOM 587 CA LEU A 37 1.665 6.497 -8.277 1.00 0.00 C ATOM 588 C LEU A 37 2.909 5.796 -8.842 1.00 0.00 C ATOM 589 O LEU A 37 3.111 5.756 -10.041 1.00 0.00 O ATOM 590 CB LEU A 37 2.060 7.819 -7.596 1.00 0.00 C ATOM 591 CG LEU A 37 1.971 8.961 -8.610 1.00 0.00 C ATOM 592 CD1 LEU A 37 0.587 9.606 -8.531 1.00 0.00 C ATOM 593 CD2 LEU A 37 3.042 10.008 -8.292 1.00 0.00 C ATOM 0 H LEU A 37 0.961 6.045 -6.291 1.00 0.00 H new ATOM 0 HA LEU A 37 0.970 6.686 -9.095 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.400 8.016 -6.751 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.073 7.748 -7.200 1.00 0.00 H new ATOM 0 HG LEU A 37 2.132 8.570 -9.615 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.523 10.420 -9.253 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.175 8.860 -8.756 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.425 9.998 -7.527 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.980 10.823 -9.014 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.881 10.400 -7.288 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.029 9.548 -8.348 1.00 0.00 H new ATOM 605 N LEU A 38 3.727 5.207 -7.986 1.00 0.00 N ATOM 606 CA LEU A 38 4.933 4.470 -8.502 1.00 0.00 C ATOM 607 C LEU A 38 4.445 3.277 -9.339 1.00 0.00 C ATOM 608 O LEU A 38 4.949 3.013 -10.413 1.00 0.00 O ATOM 609 CB LEU A 38 5.716 3.966 -7.279 1.00 0.00 C ATOM 610 CG LEU A 38 6.248 5.153 -6.477 1.00 0.00 C ATOM 611 CD1 LEU A 38 6.601 4.693 -5.060 1.00 0.00 C ATOM 612 CD2 LEU A 38 7.501 5.705 -7.160 1.00 0.00 C ATOM 0 H LEU A 38 3.613 5.205 -6.972 1.00 0.00 H new ATOM 0 HA LEU A 38 5.566 5.108 -9.119 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.071 3.352 -6.651 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.543 3.334 -7.601 1.00 0.00 H new ATOM 0 HG LEU A 38 5.486 5.931 -6.427 1.00 0.00 H new ATOM 0 HD11 LEU A 38 6.981 5.539 -4.487 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.710 4.296 -4.574 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.364 3.916 -5.109 1.00 0.00 H new ATOM 0 HD21 LEU A 38 7.883 6.552 -6.590 1.00 0.00 H new ATOM 0 HD22 LEU A 38 8.262 4.927 -7.207 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.251 6.030 -8.170 1.00 0.00 H new ATOM 624 N ILE A 39 3.445 2.566 -8.854 1.00 0.00 N ATOM 625 CA ILE A 39 2.899 1.394 -9.630 1.00 0.00 C ATOM 626 C ILE A 39 2.372 1.898 -10.983 1.00 0.00 C ATOM 627 O ILE A 39 2.699 1.352 -12.022 1.00 0.00 O ATOM 628 CB ILE A 39 1.752 0.811 -8.766 1.00 0.00 C ATOM 629 CG1 ILE A 39 2.338 0.181 -7.485 1.00 0.00 C ATOM 630 CG2 ILE A 39 0.946 -0.236 -9.552 1.00 0.00 C ATOM 631 CD1 ILE A 39 3.075 -1.129 -7.803 1.00 0.00 C ATOM 0 H ILE A 39 2.986 2.745 -7.961 1.00 0.00 H new ATOM 0 HA ILE A 39 3.652 0.632 -9.830 1.00 0.00 H new ATOM 0 HB ILE A 39 1.075 1.621 -8.495 1.00 0.00 H new ATOM 0 HG12 ILE A 39 3.024 0.883 -7.012 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.537 -0.012 -6.771 1.00 0.00 H new ATOM 0 HG21 ILE A 39 0.148 -0.629 -8.922 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.514 0.228 -10.438 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.604 -1.051 -9.853 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.478 -1.552 -6.883 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.380 -1.837 -8.254 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.890 -0.928 -8.498 1.00 0.00 H new ATOM 643 N VAL A 40 1.574 2.944 -10.981 1.00 0.00 N ATOM 644 CA VAL A 40 1.054 3.483 -12.289 1.00 0.00 C ATOM 645 C VAL A 40 2.236 3.956 -13.152 1.00 0.00 C ATOM 646 O VAL A 40 2.225 3.800 -14.359 1.00 0.00 O ATOM 647 CB VAL A 40 0.128 4.669 -11.955 1.00 0.00 C ATOM 648 CG1 VAL A 40 -0.452 5.248 -13.249 1.00 0.00 C ATOM 649 CG2 VAL A 40 -1.017 4.196 -11.049 1.00 0.00 C ATOM 0 H VAL A 40 1.263 3.442 -10.147 1.00 0.00 H new ATOM 0 HA VAL A 40 0.510 2.719 -12.845 1.00 0.00 H new ATOM 0 HB VAL A 40 0.703 5.437 -11.438 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.107 6.086 -13.011 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.360 5.592 -13.890 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.023 4.478 -13.768 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.668 5.038 -10.816 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.591 3.424 -11.561 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.606 3.789 -10.125 1.00 0.00 H new ATOM 659 N ASN A 41 3.256 4.534 -12.546 1.00 0.00 N ATOM 660 CA ASN A 41 4.434 5.013 -13.353 1.00 0.00 C ATOM 661 C ASN A 41 5.040 3.857 -14.163 1.00 0.00 C ATOM 662 O ASN A 41 5.473 4.053 -15.284 1.00 0.00 O ATOM 663 CB ASN A 41 5.470 5.557 -12.354 1.00 0.00 C ATOM 664 CG ASN A 41 4.994 6.908 -11.801 1.00 0.00 C ATOM 665 OD1 ASN A 41 4.145 7.551 -12.387 1.00 0.00 O ATOM 666 ND2 ASN A 41 5.509 7.377 -10.689 1.00 0.00 N ATOM 0 H ASN A 41 3.323 4.693 -11.541 1.00 0.00 H new ATOM 0 HA ASN A 41 4.127 5.784 -14.060 1.00 0.00 H new ATOM 0 HB2 ASN A 41 5.610 4.848 -11.538 1.00 0.00 H new ATOM 0 HB3 ASN A 41 6.436 5.674 -12.844 1.00 0.00 H new ATOM 0 HD21 ASN A 41 5.197 8.276 -10.322 1.00 0.00 H new ATOM 0 HD22 ASN A 41 6.222 6.843 -10.192 1.00 0.00 H new ATOM 673 N GLY A 42 5.083 2.658 -13.616 1.00 0.00 N ATOM 674 CA GLY A 42 5.676 1.518 -14.392 1.00 0.00 C ATOM 675 C GLY A 42 5.324 0.179 -13.733 1.00 0.00 C ATOM 676 O GLY A 42 4.708 -0.674 -14.346 1.00 0.00 O ATOM 0 H GLY A 42 4.740 2.424 -12.684 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.304 1.535 -15.416 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.759 1.631 -14.445 1.00 0.00 H new ATOM 680 N GLY A 43 5.712 -0.017 -12.493 1.00 0.00 N ATOM 681 CA GLY A 43 5.401 -1.301 -11.808 1.00 0.00 C ATOM 682 C GLY A 43 6.687 -2.127 -11.670 1.00 0.00 C ATOM 683 O GLY A 43 6.741 -3.269 -12.086 1.00 0.00 O ATOM 0 H GLY A 43 6.230 0.660 -11.932 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.972 -1.107 -10.825 1.00 0.00 H new ATOM 0 HA3 GLY A 43 4.656 -1.858 -12.376 1.00 0.00 H new ATOM 687 N THR A 44 7.716 -1.567 -11.073 1.00 0.00 N ATOM 688 CA THR A 44 8.984 -2.327 -10.894 1.00 0.00 C ATOM 689 C THR A 44 9.376 -2.295 -9.409 1.00 0.00 C ATOM 690 O THR A 44 9.623 -1.241 -8.855 1.00 0.00 O ATOM 691 CB THR A 44 10.008 -1.593 -11.761 1.00 0.00 C ATOM 692 OG1 THR A 44 9.849 -0.189 -11.592 1.00 0.00 O ATOM 693 CG2 THR A 44 9.783 -1.966 -13.231 1.00 0.00 C ATOM 0 H THR A 44 7.726 -0.616 -10.704 1.00 0.00 H new ATOM 0 HA THR A 44 8.908 -3.375 -11.184 1.00 0.00 H new ATOM 0 HB THR A 44 11.017 -1.879 -11.464 1.00 0.00 H new ATOM 0 HG1 THR A 44 10.505 0.284 -12.145 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.510 -1.445 -13.854 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.903 -3.042 -13.356 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.776 -1.676 -13.530 1.00 0.00 H new ATOM 701 N VAL A 45 9.404 -3.438 -8.746 1.00 0.00 N ATOM 702 CA VAL A 45 9.750 -3.446 -7.273 1.00 0.00 C ATOM 703 C VAL A 45 11.058 -2.673 -7.007 1.00 0.00 C ATOM 704 O VAL A 45 11.180 -1.998 -6.002 1.00 0.00 O ATOM 705 CB VAL A 45 9.904 -4.924 -6.849 1.00 0.00 C ATOM 706 CG1 VAL A 45 10.319 -5.007 -5.374 1.00 0.00 C ATOM 707 CG2 VAL A 45 8.569 -5.655 -7.022 1.00 0.00 C ATOM 0 H VAL A 45 9.206 -4.353 -9.152 1.00 0.00 H new ATOM 0 HA VAL A 45 8.965 -2.955 -6.698 1.00 0.00 H new ATOM 0 HB VAL A 45 10.667 -5.387 -7.474 1.00 0.00 H new ATOM 0 HG11 VAL A 45 10.425 -6.052 -5.084 1.00 0.00 H new ATOM 0 HG12 VAL A 45 11.270 -4.493 -5.234 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.557 -4.534 -4.754 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.683 -6.697 -6.722 1.00 0.00 H new ATOM 0 HG22 VAL A 45 7.810 -5.179 -6.401 1.00 0.00 H new ATOM 0 HG23 VAL A 45 8.262 -5.610 -8.067 1.00 0.00 H new ATOM 717 N GLU A 46 12.031 -2.759 -7.886 1.00 0.00 N ATOM 718 CA GLU A 46 13.316 -2.013 -7.636 1.00 0.00 C ATOM 719 C GLU A 46 13.052 -0.506 -7.675 1.00 0.00 C ATOM 720 O GLU A 46 13.346 0.198 -6.726 1.00 0.00 O ATOM 721 CB GLU A 46 14.296 -2.419 -8.749 1.00 0.00 C ATOM 722 CG GLU A 46 15.733 -2.233 -8.256 1.00 0.00 C ATOM 723 CD GLU A 46 16.703 -2.845 -9.269 1.00 0.00 C ATOM 724 OE1 GLU A 46 16.437 -3.944 -9.725 1.00 0.00 O ATOM 725 OE2 GLU A 46 17.695 -2.203 -9.572 1.00 0.00 O ATOM 0 H GLU A 46 11.997 -3.301 -8.750 1.00 0.00 H new ATOM 0 HA GLU A 46 13.731 -2.254 -6.657 1.00 0.00 H new ATOM 0 HB2 GLU A 46 14.129 -3.458 -9.034 1.00 0.00 H new ATOM 0 HB3 GLU A 46 14.124 -1.813 -9.639 1.00 0.00 H new ATOM 0 HG2 GLU A 46 15.949 -1.173 -8.124 1.00 0.00 H new ATOM 0 HG3 GLU A 46 15.859 -2.708 -7.283 1.00 0.00 H new ATOM 732 N SER A 47 12.486 -0.002 -8.751 1.00 0.00 N ATOM 733 CA SER A 47 12.197 1.474 -8.803 1.00 0.00 C ATOM 734 C SER A 47 11.106 1.823 -7.779 1.00 0.00 C ATOM 735 O SER A 47 11.136 2.883 -7.184 1.00 0.00 O ATOM 736 CB SER A 47 11.716 1.790 -10.226 1.00 0.00 C ATOM 737 OG SER A 47 11.948 3.165 -10.504 1.00 0.00 O ATOM 0 H SER A 47 12.216 -0.534 -9.579 1.00 0.00 H new ATOM 0 HA SER A 47 13.085 2.059 -8.562 1.00 0.00 H new ATOM 0 HB2 SER A 47 12.244 1.167 -10.948 1.00 0.00 H new ATOM 0 HB3 SER A 47 10.655 1.561 -10.323 1.00 0.00 H new ATOM 0 HG SER A 47 11.508 3.715 -9.823 1.00 0.00 H new ATOM 743 N VAL A 48 10.149 0.940 -7.556 1.00 0.00 N ATOM 744 CA VAL A 48 9.075 1.251 -6.550 1.00 0.00 C ATOM 745 C VAL A 48 9.651 1.179 -5.127 1.00 0.00 C ATOM 746 O VAL A 48 9.291 1.975 -4.278 1.00 0.00 O ATOM 747 CB VAL A 48 7.960 0.204 -6.738 1.00 0.00 C ATOM 748 CG1 VAL A 48 6.811 0.500 -5.772 1.00 0.00 C ATOM 749 CG2 VAL A 48 7.432 0.265 -8.177 1.00 0.00 C ATOM 0 H VAL A 48 10.067 0.035 -8.019 1.00 0.00 H new ATOM 0 HA VAL A 48 8.681 2.257 -6.696 1.00 0.00 H new ATOM 0 HB VAL A 48 8.364 -0.788 -6.537 1.00 0.00 H new ATOM 0 HG11 VAL A 48 6.023 -0.241 -5.906 1.00 0.00 H new ATOM 0 HG12 VAL A 48 7.178 0.458 -4.746 1.00 0.00 H new ATOM 0 HG13 VAL A 48 6.412 1.494 -5.975 1.00 0.00 H new ATOM 0 HG21 VAL A 48 6.644 -0.476 -8.307 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.032 1.259 -8.376 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.245 0.056 -8.872 1.00 0.00 H new ATOM 759 N VAL A 49 10.557 0.259 -4.856 1.00 0.00 N ATOM 760 CA VAL A 49 11.151 0.198 -3.474 1.00 0.00 C ATOM 761 C VAL A 49 12.195 1.318 -3.327 1.00 0.00 C ATOM 762 O VAL A 49 12.303 1.932 -2.281 1.00 0.00 O ATOM 763 CB VAL A 49 11.794 -1.196 -3.322 1.00 0.00 C ATOM 764 CG1 VAL A 49 12.556 -1.286 -1.995 1.00 0.00 C ATOM 765 CG2 VAL A 49 10.696 -2.263 -3.337 1.00 0.00 C ATOM 0 H VAL A 49 10.904 -0.437 -5.516 1.00 0.00 H new ATOM 0 HA VAL A 49 10.399 0.343 -2.698 1.00 0.00 H new ATOM 0 HB VAL A 49 12.488 -1.357 -4.147 1.00 0.00 H new ATOM 0 HG11 VAL A 49 13.005 -2.275 -1.900 1.00 0.00 H new ATOM 0 HG12 VAL A 49 13.339 -0.528 -1.973 1.00 0.00 H new ATOM 0 HG13 VAL A 49 11.866 -1.119 -1.167 1.00 0.00 H new ATOM 0 HG21 VAL A 49 11.146 -3.250 -3.230 1.00 0.00 H new ATOM 0 HG22 VAL A 49 10.006 -2.087 -2.511 1.00 0.00 H new ATOM 0 HG23 VAL A 49 10.153 -2.213 -4.281 1.00 0.00 H new ATOM 775 N ASP A 50 12.951 1.605 -4.369 1.00 0.00 N ATOM 776 CA ASP A 50 13.968 2.710 -4.266 1.00 0.00 C ATOM 777 C ASP A 50 13.261 4.073 -4.164 1.00 0.00 C ATOM 778 O ASP A 50 13.750 4.970 -3.502 1.00 0.00 O ATOM 779 CB ASP A 50 14.826 2.649 -5.540 1.00 0.00 C ATOM 780 CG ASP A 50 16.017 3.600 -5.400 1.00 0.00 C ATOM 781 OD1 ASP A 50 16.638 3.590 -4.351 1.00 0.00 O ATOM 782 OD2 ASP A 50 16.285 4.322 -6.346 1.00 0.00 O ATOM 0 H ASP A 50 12.909 1.131 -5.271 1.00 0.00 H new ATOM 0 HA ASP A 50 14.586 2.590 -3.376 1.00 0.00 H new ATOM 0 HB2 ASP A 50 15.178 1.631 -5.706 1.00 0.00 H new ATOM 0 HB3 ASP A 50 14.227 2.925 -6.408 1.00 0.00 H new ATOM 787 N GLU A 51 12.116 4.244 -4.803 1.00 0.00 N ATOM 788 CA GLU A 51 11.408 5.571 -4.702 1.00 0.00 C ATOM 789 C GLU A 51 10.786 5.721 -3.308 1.00 0.00 C ATOM 790 O GLU A 51 10.838 6.784 -2.719 1.00 0.00 O ATOM 791 CB GLU A 51 10.315 5.600 -5.791 1.00 0.00 C ATOM 792 CG GLU A 51 10.760 6.511 -6.941 1.00 0.00 C ATOM 793 CD GLU A 51 10.280 5.930 -8.273 1.00 0.00 C ATOM 794 OE1 GLU A 51 10.755 4.868 -8.639 1.00 0.00 O ATOM 795 OE2 GLU A 51 9.445 6.558 -8.902 1.00 0.00 O ATOM 0 H GLU A 51 11.652 3.540 -5.376 1.00 0.00 H new ATOM 0 HA GLU A 51 12.104 6.397 -4.849 1.00 0.00 H new ATOM 0 HB2 GLU A 51 10.131 4.592 -6.162 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.377 5.961 -5.370 1.00 0.00 H new ATOM 0 HG2 GLU A 51 10.354 7.513 -6.802 1.00 0.00 H new ATOM 0 HG3 GLU A 51 11.846 6.605 -6.944 1.00 0.00 H new ATOM 802 N LEU A 52 10.222 4.665 -2.761 1.00 0.00 N ATOM 803 CA LEU A 52 9.630 4.774 -1.384 1.00 0.00 C ATOM 804 C LEU A 52 10.763 4.824 -0.354 1.00 0.00 C ATOM 805 O LEU A 52 10.688 5.558 0.611 1.00 0.00 O ATOM 806 CB LEU A 52 8.756 3.530 -1.163 1.00 0.00 C ATOM 807 CG LEU A 52 7.577 3.556 -2.136 1.00 0.00 C ATOM 808 CD1 LEU A 52 6.971 2.156 -2.242 1.00 0.00 C ATOM 809 CD2 LEU A 52 6.517 4.533 -1.621 1.00 0.00 C ATOM 0 H LEU A 52 10.146 3.747 -3.200 1.00 0.00 H new ATOM 0 HA LEU A 52 9.030 5.678 -1.278 1.00 0.00 H new ATOM 0 HB2 LEU A 52 9.346 2.626 -1.314 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.393 3.505 -0.136 1.00 0.00 H new ATOM 0 HG LEU A 52 7.922 3.876 -3.119 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.130 2.175 -2.936 1.00 0.00 H new ATOM 0 HD12 LEU A 52 7.726 1.459 -2.606 1.00 0.00 H new ATOM 0 HD13 LEU A 52 6.624 1.835 -1.260 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.675 4.554 -2.313 1.00 0.00 H new ATOM 0 HD22 LEU A 52 6.172 4.211 -0.639 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.949 5.531 -1.545 1.00 0.00 H new ATOM 821 N ALA A 53 11.825 4.067 -0.557 1.00 0.00 N ATOM 822 CA ALA A 53 12.965 4.115 0.424 1.00 0.00 C ATOM 823 C ALA A 53 13.616 5.507 0.384 1.00 0.00 C ATOM 824 O ALA A 53 14.021 6.031 1.405 1.00 0.00 O ATOM 825 CB ALA A 53 13.975 3.040 -0.009 1.00 0.00 C ATOM 0 H ALA A 53 11.950 3.430 -1.344 1.00 0.00 H new ATOM 0 HA ALA A 53 12.622 3.930 1.442 1.00 0.00 H new ATOM 0 HB1 ALA A 53 14.822 3.039 0.677 1.00 0.00 H new ATOM 0 HB2 ALA A 53 13.494 2.062 0.007 1.00 0.00 H new ATOM 0 HB3 ALA A 53 14.326 3.256 -1.018 1.00 0.00 H new ATOM 831 N SER A 54 13.717 6.118 -0.784 1.00 0.00 N ATOM 832 CA SER A 54 14.344 7.489 -0.857 1.00 0.00 C ATOM 833 C SER A 54 13.576 8.475 0.038 1.00 0.00 C ATOM 834 O SER A 54 14.168 9.335 0.664 1.00 0.00 O ATOM 835 CB SER A 54 14.263 7.937 -2.325 1.00 0.00 C ATOM 836 OG SER A 54 15.174 7.170 -3.101 1.00 0.00 O ATOM 0 H SER A 54 13.399 5.735 -1.674 1.00 0.00 H new ATOM 0 HA SER A 54 15.377 7.463 -0.511 1.00 0.00 H new ATOM 0 HB2 SER A 54 13.248 7.808 -2.701 1.00 0.00 H new ATOM 0 HB3 SER A 54 14.501 8.998 -2.407 1.00 0.00 H new ATOM 0 HG SER A 54 14.716 6.381 -3.458 1.00 0.00 H new ATOM 842 N LEU A 55 12.265 8.358 0.115 1.00 0.00 N ATOM 843 CA LEU A 55 11.482 9.298 0.989 1.00 0.00 C ATOM 844 C LEU A 55 11.241 8.658 2.364 1.00 0.00 C ATOM 845 O LEU A 55 11.346 9.314 3.384 1.00 0.00 O ATOM 846 CB LEU A 55 10.147 9.547 0.270 1.00 0.00 C ATOM 847 CG LEU A 55 10.213 10.870 -0.493 1.00 0.00 C ATOM 848 CD1 LEU A 55 9.347 10.780 -1.750 1.00 0.00 C ATOM 849 CD2 LEU A 55 9.695 12.000 0.402 1.00 0.00 C ATOM 0 H LEU A 55 11.711 7.662 -0.383 1.00 0.00 H new ATOM 0 HA LEU A 55 12.018 10.233 1.152 1.00 0.00 H new ATOM 0 HB2 LEU A 55 9.935 8.729 -0.419 1.00 0.00 H new ATOM 0 HB3 LEU A 55 9.332 9.573 0.994 1.00 0.00 H new ATOM 0 HG LEU A 55 11.245 11.073 -0.778 1.00 0.00 H new ATOM 0 HD11 LEU A 55 9.395 11.724 -2.293 1.00 0.00 H new ATOM 0 HD12 LEU A 55 9.714 9.975 -2.388 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.314 10.576 -1.467 1.00 0.00 H new ATOM 0 HD21 LEU A 55 9.741 12.944 -0.141 1.00 0.00 H new ATOM 0 HD22 LEU A 55 8.663 11.795 0.686 1.00 0.00 H new ATOM 0 HD23 LEU A 55 10.312 12.066 1.298 1.00 0.00 H new ATOM 861 N PHE A 56 10.927 7.382 2.402 1.00 0.00 N ATOM 862 CA PHE A 56 10.690 6.700 3.710 1.00 0.00 C ATOM 863 C PHE A 56 11.830 5.707 3.980 1.00 0.00 C ATOM 864 O PHE A 56 11.656 4.509 3.855 1.00 0.00 O ATOM 865 CB PHE A 56 9.352 5.962 3.558 1.00 0.00 C ATOM 866 CG PHE A 56 8.267 6.938 3.159 1.00 0.00 C ATOM 867 CD1 PHE A 56 8.043 8.089 3.924 1.00 0.00 C ATOM 868 CD2 PHE A 56 7.492 6.693 2.019 1.00 0.00 C ATOM 869 CE1 PHE A 56 7.043 8.995 3.551 1.00 0.00 C ATOM 870 CE2 PHE A 56 6.494 7.600 1.644 1.00 0.00 C ATOM 871 CZ PHE A 56 6.269 8.750 2.410 1.00 0.00 C ATOM 0 H PHE A 56 10.825 6.786 1.580 1.00 0.00 H new ATOM 0 HA PHE A 56 10.659 7.401 4.544 1.00 0.00 H new ATOM 0 HB2 PHE A 56 9.443 5.178 2.806 1.00 0.00 H new ATOM 0 HB3 PHE A 56 9.087 5.474 4.496 1.00 0.00 H new ATOM 0 HD1 PHE A 56 8.642 8.278 4.802 1.00 0.00 H new ATOM 0 HD2 PHE A 56 7.664 5.805 1.429 1.00 0.00 H new ATOM 0 HE1 PHE A 56 6.869 9.882 4.142 1.00 0.00 H new ATOM 0 HE2 PHE A 56 5.897 7.413 0.763 1.00 0.00 H new ATOM 0 HZ PHE A 56 5.498 9.449 2.121 1.00 0.00 H new ATOM 881 N ASP A 57 12.998 6.192 4.351 1.00 0.00 N ATOM 882 CA ASP A 57 14.140 5.261 4.628 1.00 0.00 C ATOM 883 C ASP A 57 14.336 5.069 6.144 1.00 0.00 C ATOM 884 O ASP A 57 15.434 4.801 6.595 1.00 0.00 O ATOM 885 CB ASP A 57 15.378 5.924 4.011 1.00 0.00 C ATOM 886 CG ASP A 57 16.240 4.865 3.321 1.00 0.00 C ATOM 887 OD1 ASP A 57 15.927 4.518 2.194 1.00 0.00 O ATOM 888 OD2 ASP A 57 17.198 4.420 3.931 1.00 0.00 O ATOM 0 H ASP A 57 13.206 7.183 4.472 1.00 0.00 H new ATOM 0 HA ASP A 57 13.956 4.273 4.206 1.00 0.00 H new ATOM 0 HB2 ASP A 57 15.075 6.685 3.292 1.00 0.00 H new ATOM 0 HB3 ASP A 57 15.956 6.429 4.785 1.00 0.00 H new ATOM 893 N SER A 58 13.285 5.186 6.938 1.00 0.00 N ATOM 894 CA SER A 58 13.442 4.987 8.418 1.00 0.00 C ATOM 895 C SER A 58 13.074 3.542 8.795 1.00 0.00 C ATOM 896 O SER A 58 13.717 2.936 9.631 1.00 0.00 O ATOM 897 CB SER A 58 12.484 5.980 9.086 1.00 0.00 C ATOM 898 OG SER A 58 12.992 7.299 8.932 1.00 0.00 O ATOM 0 H SER A 58 12.340 5.408 6.626 1.00 0.00 H new ATOM 0 HA SER A 58 14.469 5.156 8.741 1.00 0.00 H new ATOM 0 HB2 SER A 58 11.493 5.905 8.638 1.00 0.00 H new ATOM 0 HB3 SER A 58 12.374 5.741 10.144 1.00 0.00 H new ATOM 0 HG SER A 58 12.381 7.937 9.357 1.00 0.00 H new ATOM 904 N VAL A 59 12.052 2.982 8.181 1.00 0.00 N ATOM 905 CA VAL A 59 11.665 1.565 8.512 1.00 0.00 C ATOM 906 C VAL A 59 12.497 0.578 7.676 1.00 0.00 C ATOM 907 O VAL A 59 12.998 0.921 6.622 1.00 0.00 O ATOM 908 CB VAL A 59 10.161 1.429 8.195 1.00 0.00 C ATOM 909 CG1 VAL A 59 9.907 1.594 6.685 1.00 0.00 C ATOM 910 CG2 VAL A 59 9.677 0.050 8.650 1.00 0.00 C ATOM 0 H VAL A 59 11.475 3.437 7.474 1.00 0.00 H new ATOM 0 HA VAL A 59 11.856 1.336 9.560 1.00 0.00 H new ATOM 0 HB VAL A 59 9.615 2.210 8.724 1.00 0.00 H new ATOM 0 HG11 VAL A 59 8.841 1.495 6.482 1.00 0.00 H new ATOM 0 HG12 VAL A 59 10.247 2.579 6.364 1.00 0.00 H new ATOM 0 HG13 VAL A 59 10.453 0.826 6.138 1.00 0.00 H new ATOM 0 HG21 VAL A 59 8.615 -0.054 8.429 1.00 0.00 H new ATOM 0 HG22 VAL A 59 10.235 -0.724 8.122 1.00 0.00 H new ATOM 0 HG23 VAL A 59 9.837 -0.056 9.723 1.00 0.00 H new ATOM 920 N SER A 60 12.657 -0.644 8.143 1.00 0.00 N ATOM 921 CA SER A 60 13.475 -1.650 7.364 1.00 0.00 C ATOM 922 C SER A 60 12.976 -1.755 5.911 1.00 0.00 C ATOM 923 O SER A 60 11.787 -1.755 5.660 1.00 0.00 O ATOM 924 CB SER A 60 13.301 -3.001 8.074 1.00 0.00 C ATOM 925 OG SER A 60 12.943 -2.776 9.431 1.00 0.00 O ATOM 0 H SER A 60 12.263 -0.989 9.019 1.00 0.00 H new ATOM 0 HA SER A 60 14.522 -1.348 7.328 1.00 0.00 H new ATOM 0 HB2 SER A 60 12.531 -3.590 7.576 1.00 0.00 H new ATOM 0 HB3 SER A 60 14.226 -3.575 8.020 1.00 0.00 H new ATOM 0 HG SER A 60 12.830 -3.636 9.886 1.00 0.00 H new ATOM 931 N ARG A 61 13.879 -1.853 4.950 1.00 0.00 N ATOM 932 CA ARG A 61 13.445 -1.963 3.506 1.00 0.00 C ATOM 933 C ARG A 61 12.427 -3.102 3.323 1.00 0.00 C ATOM 934 O ARG A 61 11.540 -3.012 2.495 1.00 0.00 O ATOM 935 CB ARG A 61 14.712 -2.261 2.687 1.00 0.00 C ATOM 936 CG ARG A 61 15.629 -1.034 2.696 1.00 0.00 C ATOM 937 CD ARG A 61 16.302 -0.886 1.330 1.00 0.00 C ATOM 938 NE ARG A 61 17.611 -1.585 1.469 1.00 0.00 N ATOM 939 CZ ARG A 61 18.663 -0.926 1.870 1.00 0.00 C ATOM 940 NH1 ARG A 61 19.149 0.036 1.135 1.00 0.00 N ATOM 941 NH2 ARG A 61 19.229 -1.229 3.006 1.00 0.00 N ATOM 0 H ARG A 61 14.888 -1.862 5.100 1.00 0.00 H new ATOM 0 HA ARG A 61 12.964 -1.041 3.181 1.00 0.00 H new ATOM 0 HB2 ARG A 61 15.234 -3.121 3.106 1.00 0.00 H new ATOM 0 HB3 ARG A 61 14.443 -2.519 1.663 1.00 0.00 H new ATOM 0 HG2 ARG A 61 15.053 -0.138 2.928 1.00 0.00 H new ATOM 0 HG3 ARG A 61 16.384 -1.137 3.475 1.00 0.00 H new ATOM 0 HD2 ARG A 61 15.697 -1.333 0.541 1.00 0.00 H new ATOM 0 HD3 ARG A 61 16.440 0.163 1.069 1.00 0.00 H new ATOM 0 HE ARG A 61 17.684 -2.579 1.251 1.00 0.00 H new ATOM 0 HH11 ARG A 61 18.706 0.273 0.247 1.00 0.00 H new ATOM 0 HH12 ARG A 61 19.972 0.551 1.448 1.00 0.00 H new ATOM 0 HH21 ARG A 61 18.849 -1.981 3.581 1.00 0.00 H new ATOM 0 HH22 ARG A 61 20.052 -0.714 3.319 1.00 0.00 H new ATOM 955 N ASP A 62 12.544 -4.173 4.083 1.00 0.00 N ATOM 956 CA ASP A 62 11.564 -5.311 3.926 1.00 0.00 C ATOM 957 C ASP A 62 10.126 -4.812 4.135 1.00 0.00 C ATOM 958 O ASP A 62 9.217 -5.235 3.445 1.00 0.00 O ATOM 959 CB ASP A 62 11.921 -6.357 4.993 1.00 0.00 C ATOM 960 CG ASP A 62 13.323 -6.906 4.723 1.00 0.00 C ATOM 961 OD1 ASP A 62 14.276 -6.177 4.946 1.00 0.00 O ATOM 962 OD2 ASP A 62 13.420 -8.044 4.297 1.00 0.00 O ATOM 0 H ASP A 62 13.262 -4.310 4.794 1.00 0.00 H new ATOM 0 HA ASP A 62 11.622 -5.737 2.924 1.00 0.00 H new ATOM 0 HB2 ASP A 62 11.880 -5.908 5.985 1.00 0.00 H new ATOM 0 HB3 ASP A 62 11.193 -7.168 4.980 1.00 0.00 H new ATOM 967 N THR A 63 9.909 -3.913 5.073 1.00 0.00 N ATOM 968 CA THR A 63 8.510 -3.400 5.298 1.00 0.00 C ATOM 969 C THR A 63 8.044 -2.618 4.061 1.00 0.00 C ATOM 970 O THR A 63 6.915 -2.757 3.628 1.00 0.00 O ATOM 971 CB THR A 63 8.563 -2.482 6.534 1.00 0.00 C ATOM 972 OG1 THR A 63 8.987 -3.239 7.660 1.00 0.00 O ATOM 973 CG2 THR A 63 7.173 -1.896 6.805 1.00 0.00 C ATOM 0 H THR A 63 10.625 -3.518 5.683 1.00 0.00 H new ATOM 0 HA THR A 63 7.806 -4.216 5.461 1.00 0.00 H new ATOM 0 HB THR A 63 9.265 -1.668 6.352 1.00 0.00 H new ATOM 0 HG1 THR A 63 9.024 -2.659 8.449 1.00 0.00 H new ATOM 0 HG21 THR A 63 7.216 -1.248 7.680 1.00 0.00 H new ATOM 0 HG22 THR A 63 6.847 -1.318 5.940 1.00 0.00 H new ATOM 0 HG23 THR A 63 6.466 -2.705 6.987 1.00 0.00 H new ATOM 981 N LEU A 64 8.903 -1.806 3.480 1.00 0.00 N ATOM 982 CA LEU A 64 8.483 -1.037 2.257 1.00 0.00 C ATOM 983 C LEU A 64 8.264 -2.020 1.103 1.00 0.00 C ATOM 984 O LEU A 64 7.280 -1.938 0.392 1.00 0.00 O ATOM 985 CB LEU A 64 9.627 -0.064 1.915 1.00 0.00 C ATOM 986 CG LEU A 64 9.876 0.896 3.093 1.00 0.00 C ATOM 987 CD1 LEU A 64 11.300 0.708 3.623 1.00 0.00 C ATOM 988 CD2 LEU A 64 9.706 2.346 2.623 1.00 0.00 C ATOM 0 H LEU A 64 9.860 -1.644 3.793 1.00 0.00 H new ATOM 0 HA LEU A 64 7.557 -0.488 2.428 1.00 0.00 H new ATOM 0 HB2 LEU A 64 10.536 -0.623 1.693 1.00 0.00 H new ATOM 0 HB3 LEU A 64 9.376 0.504 1.020 1.00 0.00 H new ATOM 0 HG LEU A 64 9.159 0.679 3.884 1.00 0.00 H new ATOM 0 HD11 LEU A 64 11.471 1.390 4.456 1.00 0.00 H new ATOM 0 HD12 LEU A 64 11.429 -0.320 3.962 1.00 0.00 H new ATOM 0 HD13 LEU A 64 12.015 0.920 2.828 1.00 0.00 H new ATOM 0 HD21 LEU A 64 9.883 3.023 3.459 1.00 0.00 H new ATOM 0 HD22 LEU A 64 10.421 2.557 1.828 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.693 2.490 2.248 1.00 0.00 H new ATOM 1000 N ALA A 65 9.168 -2.959 0.922 1.00 0.00 N ATOM 1001 CA ALA A 65 8.988 -3.961 -0.191 1.00 0.00 C ATOM 1002 C ALA A 65 7.687 -4.753 0.023 1.00 0.00 C ATOM 1003 O ALA A 65 6.993 -5.072 -0.924 1.00 0.00 O ATOM 1004 CB ALA A 65 10.199 -4.906 -0.139 1.00 0.00 C ATOM 0 H ALA A 65 10.010 -3.077 1.485 1.00 0.00 H new ATOM 0 HA ALA A 65 8.923 -3.466 -1.160 1.00 0.00 H new ATOM 0 HB1 ALA A 65 10.113 -5.652 -0.929 1.00 0.00 H new ATOM 0 HB2 ALA A 65 11.115 -4.332 -0.280 1.00 0.00 H new ATOM 0 HB3 ALA A 65 10.229 -5.405 0.829 1.00 0.00 H new ATOM 1010 N ASN A 66 7.346 -5.071 1.257 1.00 0.00 N ATOM 1011 CA ASN A 66 6.076 -5.845 1.503 1.00 0.00 C ATOM 1012 C ASN A 66 4.867 -5.049 0.988 1.00 0.00 C ATOM 1013 O ASN A 66 3.974 -5.608 0.378 1.00 0.00 O ATOM 1014 CB ASN A 66 5.964 -6.050 3.024 1.00 0.00 C ATOM 1015 CG ASN A 66 6.827 -7.246 3.443 1.00 0.00 C ATOM 1016 OD1 ASN A 66 6.812 -8.272 2.792 1.00 0.00 O ATOM 1017 ND2 ASN A 66 7.586 -7.164 4.509 1.00 0.00 N ATOM 0 H ASN A 66 7.882 -4.833 2.092 1.00 0.00 H new ATOM 0 HA ASN A 66 6.094 -6.802 0.981 1.00 0.00 H new ATOM 0 HB2 ASN A 66 6.290 -5.151 3.548 1.00 0.00 H new ATOM 0 HB3 ASN A 66 4.925 -6.222 3.303 1.00 0.00 H new ATOM 0 HD21 ASN A 66 8.160 -7.959 4.788 1.00 0.00 H new ATOM 0 HD22 ASN A 66 7.602 -6.305 5.059 1.00 0.00 H new ATOM 1024 N VAL A 67 4.830 -3.748 1.214 1.00 0.00 N ATOM 1025 CA VAL A 67 3.661 -2.945 0.707 1.00 0.00 C ATOM 1026 C VAL A 67 3.733 -2.846 -0.829 1.00 0.00 C ATOM 1027 O VAL A 67 2.724 -2.918 -1.503 1.00 0.00 O ATOM 1028 CB VAL A 67 3.758 -1.555 1.355 1.00 0.00 C ATOM 1029 CG1 VAL A 67 2.581 -0.694 0.895 1.00 0.00 C ATOM 1030 CG2 VAL A 67 3.709 -1.701 2.880 1.00 0.00 C ATOM 0 H VAL A 67 5.542 -3.218 1.716 1.00 0.00 H new ATOM 0 HA VAL A 67 2.710 -3.412 0.963 1.00 0.00 H new ATOM 0 HB VAL A 67 4.695 -1.082 1.060 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.650 0.292 1.355 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.607 -0.591 -0.190 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.645 -1.168 1.192 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.778 -0.716 3.342 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.771 -2.173 3.170 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.544 -2.317 3.214 1.00 0.00 H new ATOM 1040 N VAL A 68 4.917 -2.712 -1.393 1.00 0.00 N ATOM 1041 CA VAL A 68 5.018 -2.652 -2.897 1.00 0.00 C ATOM 1042 C VAL A 68 4.580 -4.011 -3.484 1.00 0.00 C ATOM 1043 O VAL A 68 3.974 -4.061 -4.537 1.00 0.00 O ATOM 1044 CB VAL A 68 6.498 -2.365 -3.225 1.00 0.00 C ATOM 1045 CG1 VAL A 68 6.721 -2.403 -4.738 1.00 0.00 C ATOM 1046 CG2 VAL A 68 6.872 -0.978 -2.695 1.00 0.00 C ATOM 0 H VAL A 68 5.802 -2.643 -0.890 1.00 0.00 H new ATOM 0 HA VAL A 68 4.377 -1.879 -3.322 1.00 0.00 H new ATOM 0 HB VAL A 68 7.121 -3.126 -2.754 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.769 -2.199 -4.957 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.456 -3.389 -5.120 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.097 -1.648 -5.217 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.917 -0.771 -2.924 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.241 -0.226 -3.167 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.725 -0.949 -1.615 1.00 0.00 H new ATOM 1056 N GLN A 69 4.874 -5.113 -2.812 1.00 0.00 N ATOM 1057 CA GLN A 69 4.455 -6.452 -3.360 1.00 0.00 C ATOM 1058 C GLN A 69 2.925 -6.553 -3.410 1.00 0.00 C ATOM 1059 O GLN A 69 2.366 -6.952 -4.416 1.00 0.00 O ATOM 1060 CB GLN A 69 5.025 -7.522 -2.414 1.00 0.00 C ATOM 1061 CG GLN A 69 4.770 -8.911 -3.000 1.00 0.00 C ATOM 1062 CD GLN A 69 4.685 -9.939 -1.864 1.00 0.00 C ATOM 1063 OE1 GLN A 69 3.705 -10.648 -1.749 1.00 0.00 O ATOM 1064 NE2 GLN A 69 5.673 -10.054 -1.010 1.00 0.00 N ATOM 0 H GLN A 69 5.376 -5.141 -1.925 1.00 0.00 H new ATOM 0 HA GLN A 69 4.829 -6.589 -4.375 1.00 0.00 H new ATOM 0 HB2 GLN A 69 6.095 -7.366 -2.274 1.00 0.00 H new ATOM 0 HB3 GLN A 69 4.559 -7.439 -1.432 1.00 0.00 H new ATOM 0 HG2 GLN A 69 3.843 -8.910 -3.574 1.00 0.00 H new ATOM 0 HG3 GLN A 69 5.571 -9.180 -3.688 1.00 0.00 H new ATOM 0 HE21 GLN A 69 6.498 -9.461 -1.102 1.00 0.00 H new ATOM 0 HE22 GLN A 69 5.617 -10.736 -0.254 1.00 0.00 H new ATOM 1073 N THR A 70 2.238 -6.199 -2.342 1.00 0.00 N ATOM 1074 CA THR A 70 0.732 -6.291 -2.374 1.00 0.00 C ATOM 1075 C THR A 70 0.160 -5.382 -3.478 1.00 0.00 C ATOM 1076 O THR A 70 -0.872 -5.689 -4.046 1.00 0.00 O ATOM 1077 CB THR A 70 0.207 -5.878 -0.985 1.00 0.00 C ATOM 1078 OG1 THR A 70 -1.211 -5.964 -0.977 1.00 0.00 O ATOM 1079 CG2 THR A 70 0.628 -4.447 -0.655 1.00 0.00 C ATOM 0 H THR A 70 2.641 -5.858 -1.469 1.00 0.00 H new ATOM 0 HA THR A 70 0.415 -7.309 -2.602 1.00 0.00 H new ATOM 0 HB THR A 70 0.628 -6.548 -0.236 1.00 0.00 H new ATOM 0 HG1 THR A 70 -1.550 -5.704 -0.095 1.00 0.00 H new ATOM 0 HG21 THR A 70 0.248 -4.174 0.329 1.00 0.00 H new ATOM 0 HG22 THR A 70 1.716 -4.378 -0.656 1.00 0.00 H new ATOM 0 HG23 THR A 70 0.221 -3.766 -1.403 1.00 0.00 H new ATOM 1087 N ALA A 71 0.819 -4.284 -3.813 1.00 0.00 N ATOM 1088 CA ALA A 71 0.275 -3.410 -4.914 1.00 0.00 C ATOM 1089 C ALA A 71 0.319 -4.201 -6.229 1.00 0.00 C ATOM 1090 O ALA A 71 -0.624 -4.187 -6.997 1.00 0.00 O ATOM 1091 CB ALA A 71 1.175 -2.166 -5.009 1.00 0.00 C ATOM 0 H ALA A 71 1.687 -3.964 -3.383 1.00 0.00 H new ATOM 0 HA ALA A 71 -0.753 -3.108 -4.716 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.808 -1.511 -5.799 1.00 0.00 H new ATOM 0 HB2 ALA A 71 1.160 -1.633 -4.059 1.00 0.00 H new ATOM 0 HB3 ALA A 71 2.196 -2.472 -5.237 1.00 0.00 H new ATOM 1097 N PHE A 72 1.403 -4.916 -6.485 1.00 0.00 N ATOM 1098 CA PHE A 72 1.474 -5.730 -7.751 1.00 0.00 C ATOM 1099 C PHE A 72 0.382 -6.803 -7.704 1.00 0.00 C ATOM 1100 O PHE A 72 -0.396 -6.942 -8.630 1.00 0.00 O ATOM 1101 CB PHE A 72 2.864 -6.383 -7.782 1.00 0.00 C ATOM 1102 CG PHE A 72 3.882 -5.353 -8.196 1.00 0.00 C ATOM 1103 CD1 PHE A 72 3.893 -4.878 -9.509 1.00 0.00 C ATOM 1104 CD2 PHE A 72 4.809 -4.865 -7.267 1.00 0.00 C ATOM 1105 CE1 PHE A 72 4.830 -3.918 -9.897 1.00 0.00 C ATOM 1106 CE2 PHE A 72 5.746 -3.902 -7.655 1.00 0.00 C ATOM 1107 CZ PHE A 72 5.758 -3.428 -8.968 1.00 0.00 C ATOM 0 H PHE A 72 2.225 -4.969 -5.883 1.00 0.00 H new ATOM 0 HA PHE A 72 1.323 -5.118 -8.640 1.00 0.00 H new ATOM 0 HB2 PHE A 72 3.113 -6.784 -6.800 1.00 0.00 H new ATOM 0 HB3 PHE A 72 2.871 -7.220 -8.480 1.00 0.00 H new ATOM 0 HD1 PHE A 72 3.177 -5.253 -10.225 1.00 0.00 H new ATOM 0 HD2 PHE A 72 4.800 -5.232 -6.251 1.00 0.00 H new ATOM 0 HE1 PHE A 72 4.840 -3.553 -10.913 1.00 0.00 H new ATOM 0 HE2 PHE A 72 6.461 -3.525 -6.938 1.00 0.00 H new ATOM 0 HZ PHE A 72 6.482 -2.684 -9.268 1.00 0.00 H new ATOM 1117 N PHE A 73 0.297 -7.547 -6.618 1.00 0.00 N ATOM 1118 CA PHE A 73 -0.782 -8.591 -6.514 1.00 0.00 C ATOM 1119 C PHE A 73 -2.155 -7.896 -6.570 1.00 0.00 C ATOM 1120 O PHE A 73 -3.078 -8.393 -7.190 1.00 0.00 O ATOM 1121 CB PHE A 73 -0.584 -9.294 -5.156 1.00 0.00 C ATOM 1122 CG PHE A 73 -1.655 -10.341 -4.953 1.00 0.00 C ATOM 1123 CD1 PHE A 73 -1.882 -11.315 -5.933 1.00 0.00 C ATOM 1124 CD2 PHE A 73 -2.419 -10.336 -3.780 1.00 0.00 C ATOM 1125 CE1 PHE A 73 -2.874 -12.283 -5.740 1.00 0.00 C ATOM 1126 CE2 PHE A 73 -3.411 -11.305 -3.587 1.00 0.00 C ATOM 1127 CZ PHE A 73 -3.639 -12.278 -4.567 1.00 0.00 C ATOM 0 H PHE A 73 0.918 -7.478 -5.812 1.00 0.00 H new ATOM 0 HA PHE A 73 -0.733 -9.314 -7.328 1.00 0.00 H new ATOM 0 HB2 PHE A 73 0.401 -9.758 -5.118 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -0.623 -8.562 -4.349 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -1.292 -11.319 -6.837 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -2.243 -9.585 -3.024 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -3.050 -13.034 -6.496 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -4.000 -11.302 -2.682 1.00 0.00 H new ATOM 0 HZ PHE A 73 -4.405 -13.025 -4.419 1.00 0.00 H new ATOM 1137 N ALA A 74 -2.296 -6.742 -5.940 1.00 0.00 N ATOM 1138 CA ALA A 74 -3.620 -6.027 -5.987 1.00 0.00 C ATOM 1139 C ALA A 74 -3.961 -5.670 -7.439 1.00 0.00 C ATOM 1140 O ALA A 74 -5.091 -5.818 -7.864 1.00 0.00 O ATOM 1141 CB ALA A 74 -3.469 -4.748 -5.147 1.00 0.00 C ATOM 0 H ALA A 74 -1.564 -6.274 -5.405 1.00 0.00 H new ATOM 0 HA ALA A 74 -4.422 -6.653 -5.595 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.409 -4.196 -5.153 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.211 -5.014 -4.122 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.680 -4.126 -5.570 1.00 0.00 H new ATOM 1147 N LEU A 75 -2.995 -5.204 -8.210 1.00 0.00 N ATOM 1148 CA LEU A 75 -3.300 -4.849 -9.647 1.00 0.00 C ATOM 1149 C LEU A 75 -3.855 -6.075 -10.384 1.00 0.00 C ATOM 1150 O LEU A 75 -4.796 -5.967 -11.148 1.00 0.00 O ATOM 1151 CB LEU A 75 -1.979 -4.400 -10.300 1.00 0.00 C ATOM 1152 CG LEU A 75 -1.919 -2.872 -10.343 1.00 0.00 C ATOM 1153 CD1 LEU A 75 -0.561 -2.436 -10.895 1.00 0.00 C ATOM 1154 CD2 LEU A 75 -3.031 -2.341 -11.253 1.00 0.00 C ATOM 0 H LEU A 75 -2.029 -5.056 -7.917 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.046 -4.055 -9.697 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.132 -4.791 -9.736 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -1.905 -4.805 -11.309 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.052 -2.474 -9.337 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.514 -1.348 -10.927 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.232 -2.815 -10.250 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.432 -2.835 -11.901 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.988 -1.252 -11.283 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -2.898 -2.737 -12.260 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -4.000 -2.655 -10.865 1.00 0.00 H new ATOM 1166 N GLU A 76 -3.289 -7.242 -10.156 1.00 0.00 N ATOM 1167 CA GLU A 76 -3.814 -8.469 -10.854 1.00 0.00 C ATOM 1168 C GLU A 76 -5.214 -8.802 -10.325 1.00 0.00 C ATOM 1169 O GLU A 76 -6.101 -9.143 -11.086 1.00 0.00 O ATOM 1170 CB GLU A 76 -2.837 -9.614 -10.543 1.00 0.00 C ATOM 1171 CG GLU A 76 -3.183 -10.829 -11.407 1.00 0.00 C ATOM 1172 CD GLU A 76 -2.474 -12.068 -10.856 1.00 0.00 C ATOM 1173 OE1 GLU A 76 -2.830 -12.496 -9.769 1.00 0.00 O ATOM 1174 OE2 GLU A 76 -1.588 -12.567 -11.528 1.00 0.00 O ATOM 0 H GLU A 76 -2.500 -7.398 -9.529 1.00 0.00 H new ATOM 0 HA GLU A 76 -3.890 -8.312 -11.930 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -1.813 -9.296 -10.738 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -2.893 -9.878 -9.487 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.261 -10.988 -11.414 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -2.880 -10.653 -12.439 1.00 0.00 H new ATOM 1181 N ALA A 77 -5.427 -8.692 -9.031 1.00 0.00 N ATOM 1182 CA ALA A 77 -6.795 -8.993 -8.476 1.00 0.00 C ATOM 1183 C ALA A 77 -7.793 -7.932 -8.961 1.00 0.00 C ATOM 1184 O ALA A 77 -8.927 -8.247 -9.274 1.00 0.00 O ATOM 1185 CB ALA A 77 -6.676 -8.958 -6.945 1.00 0.00 C ATOM 0 H ALA A 77 -4.727 -8.412 -8.344 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.153 -9.967 -8.809 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -7.648 -9.171 -6.500 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.955 -9.707 -6.619 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.341 -7.970 -6.629 1.00 0.00 H new ATOM 1191 N LEU A 78 -7.384 -6.681 -9.040 1.00 0.00 N ATOM 1192 CA LEU A 78 -8.336 -5.621 -9.526 1.00 0.00 C ATOM 1193 C LEU A 78 -8.665 -5.870 -11.006 1.00 0.00 C ATOM 1194 O LEU A 78 -9.800 -5.733 -11.421 1.00 0.00 O ATOM 1195 CB LEU A 78 -7.626 -4.268 -9.360 1.00 0.00 C ATOM 1196 CG LEU A 78 -8.656 -3.195 -9.006 1.00 0.00 C ATOM 1197 CD1 LEU A 78 -9.137 -3.406 -7.570 1.00 0.00 C ATOM 1198 CD2 LEU A 78 -8.013 -1.812 -9.130 1.00 0.00 C ATOM 0 H LEU A 78 -6.450 -6.353 -8.794 1.00 0.00 H new ATOM 0 HA LEU A 78 -9.269 -5.636 -8.962 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.870 -4.335 -8.577 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.108 -4.001 -10.281 1.00 0.00 H new ATOM 0 HG LEU A 78 -9.504 -3.265 -9.688 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -9.871 -2.642 -7.316 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -9.593 -4.392 -7.480 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -8.289 -3.335 -6.888 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -8.746 -1.046 -8.878 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -7.166 -1.742 -8.448 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.668 -1.661 -10.153 1.00 0.00 H new ATOM 1210 N GLN A 79 -7.682 -6.240 -11.808 1.00 0.00 N ATOM 1211 CA GLN A 79 -7.974 -6.499 -13.266 1.00 0.00 C ATOM 1212 C GLN A 79 -9.032 -7.607 -13.418 1.00 0.00 C ATOM 1213 O GLN A 79 -9.815 -7.588 -14.349 1.00 0.00 O ATOM 1214 CB GLN A 79 -6.653 -6.942 -13.926 1.00 0.00 C ATOM 1215 CG GLN A 79 -6.011 -5.748 -14.643 1.00 0.00 C ATOM 1216 CD GLN A 79 -4.905 -5.152 -13.764 1.00 0.00 C ATOM 1217 OE1 GLN A 79 -5.071 -4.084 -13.208 1.00 0.00 O ATOM 1218 NE2 GLN A 79 -3.773 -5.796 -13.609 1.00 0.00 N ATOM 0 H GLN A 79 -6.711 -6.372 -11.524 1.00 0.00 H new ATOM 0 HA GLN A 79 -8.365 -5.599 -13.739 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -5.972 -7.335 -13.172 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -6.842 -7.747 -14.636 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -5.597 -6.066 -15.600 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -6.766 -4.991 -14.858 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -3.629 -6.693 -14.073 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -3.037 -5.400 -13.024 1.00 0.00 H new ATOM 1227 N GLN A 80 -9.070 -8.575 -12.519 1.00 0.00 N ATOM 1228 CA GLN A 80 -10.097 -9.670 -12.648 1.00 0.00 C ATOM 1229 C GLN A 80 -11.451 -9.199 -12.100 1.00 0.00 C ATOM 1230 O GLN A 80 -12.486 -9.490 -12.669 1.00 0.00 O ATOM 1231 CB GLN A 80 -9.574 -10.862 -11.832 1.00 0.00 C ATOM 1232 CG GLN A 80 -10.463 -12.081 -12.081 1.00 0.00 C ATOM 1233 CD GLN A 80 -9.924 -12.874 -13.279 1.00 0.00 C ATOM 1234 OE1 GLN A 80 -9.751 -12.326 -14.350 1.00 0.00 O ATOM 1235 NE2 GLN A 80 -9.648 -14.149 -13.149 1.00 0.00 N ATOM 0 H GLN A 80 -8.446 -8.653 -11.716 1.00 0.00 H new ATOM 0 HA GLN A 80 -10.247 -9.946 -13.692 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -8.545 -11.086 -12.114 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -9.567 -10.615 -10.770 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -10.487 -12.714 -11.194 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -11.488 -11.763 -12.273 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -9.792 -14.613 -12.252 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -9.290 -14.677 -13.945 1.00 0.00 H new ATOM 1244 N GLY A 81 -11.458 -8.470 -11.004 1.00 0.00 N ATOM 1245 CA GLY A 81 -12.753 -7.987 -10.437 1.00 0.00 C ATOM 1246 C GLY A 81 -12.777 -8.216 -8.919 1.00 0.00 C ATOM 1247 O GLY A 81 -13.363 -9.171 -8.443 1.00 0.00 O ATOM 0 H GLY A 81 -10.626 -8.193 -10.484 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -12.883 -6.927 -10.656 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -13.584 -8.513 -10.906 1.00 0.00 H new ATOM 1251 N GLU A 82 -12.151 -7.348 -8.149 1.00 0.00 N ATOM 1252 CA GLU A 82 -12.151 -7.525 -6.665 1.00 0.00 C ATOM 1253 C GLU A 82 -12.694 -6.259 -5.983 1.00 0.00 C ATOM 1254 O GLU A 82 -12.902 -5.249 -6.630 1.00 0.00 O ATOM 1255 CB GLU A 82 -10.684 -7.751 -6.291 1.00 0.00 C ATOM 1256 CG GLU A 82 -10.385 -9.251 -6.282 1.00 0.00 C ATOM 1257 CD GLU A 82 -11.169 -9.922 -5.153 1.00 0.00 C ATOM 1258 OE1 GLU A 82 -10.994 -9.519 -4.016 1.00 0.00 O ATOM 1259 OE2 GLU A 82 -11.931 -10.830 -5.445 1.00 0.00 O ATOM 0 H GLU A 82 -11.644 -6.530 -8.488 1.00 0.00 H new ATOM 0 HA GLU A 82 -12.783 -8.354 -6.347 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -10.034 -7.244 -7.004 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -10.477 -7.322 -5.310 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -10.658 -9.692 -7.241 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -9.317 -9.419 -6.146 1.00 0.00 H new ATOM 1266 N SER A 83 -12.927 -6.299 -4.686 1.00 0.00 N ATOM 1267 CA SER A 83 -13.456 -5.088 -3.986 1.00 0.00 C ATOM 1268 C SER A 83 -12.419 -4.547 -2.990 1.00 0.00 C ATOM 1269 O SER A 83 -11.785 -5.305 -2.278 1.00 0.00 O ATOM 1270 CB SER A 83 -14.705 -5.559 -3.242 1.00 0.00 C ATOM 1271 OG SER A 83 -15.747 -5.803 -4.180 1.00 0.00 O ATOM 0 H SER A 83 -12.774 -7.113 -4.091 1.00 0.00 H new ATOM 0 HA SER A 83 -13.678 -4.283 -4.687 1.00 0.00 H new ATOM 0 HB2 SER A 83 -14.487 -6.467 -2.679 1.00 0.00 H new ATOM 0 HB3 SER A 83 -15.019 -4.805 -2.521 1.00 0.00 H new ATOM 0 HG SER A 83 -16.549 -6.107 -3.706 1.00 0.00 H new ATOM 1277 N ALA A 84 -12.240 -3.244 -2.931 1.00 0.00 N ATOM 1278 CA ALA A 84 -11.238 -2.667 -1.971 1.00 0.00 C ATOM 1279 C ALA A 84 -11.930 -2.140 -0.694 1.00 0.00 C ATOM 1280 O ALA A 84 -11.360 -2.195 0.379 1.00 0.00 O ATOM 1281 CB ALA A 84 -10.548 -1.521 -2.725 1.00 0.00 C ATOM 0 H ALA A 84 -12.740 -2.561 -3.501 1.00 0.00 H new ATOM 0 HA ALA A 84 -10.523 -3.423 -1.645 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -9.803 -1.057 -2.079 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -10.060 -1.914 -3.617 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -11.290 -0.778 -3.016 1.00 0.00 H new ATOM 1287 N GLU A 85 -13.145 -1.626 -0.790 1.00 0.00 N ATOM 1288 CA GLU A 85 -13.835 -1.098 0.446 1.00 0.00 C ATOM 1289 C GLU A 85 -13.927 -2.191 1.523 1.00 0.00 C ATOM 1290 O GLU A 85 -13.779 -1.916 2.700 1.00 0.00 O ATOM 1291 CB GLU A 85 -15.247 -0.666 0.016 1.00 0.00 C ATOM 1292 CG GLU A 85 -15.771 0.401 0.981 1.00 0.00 C ATOM 1293 CD GLU A 85 -15.328 1.784 0.503 1.00 0.00 C ATOM 1294 OE1 GLU A 85 -14.146 1.953 0.253 1.00 0.00 O ATOM 1295 OE2 GLU A 85 -16.178 2.652 0.396 1.00 0.00 O ATOM 0 H GLU A 85 -13.680 -1.550 -1.655 1.00 0.00 H new ATOM 0 HA GLU A 85 -13.277 -0.264 0.871 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -15.225 -0.273 -1.000 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -15.916 -1.526 0.010 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -16.859 0.355 1.035 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -15.393 0.214 1.986 1.00 0.00 H new ATOM 1302 N ASN A 86 -14.171 -3.427 1.137 1.00 0.00 N ATOM 1303 CA ASN A 86 -14.267 -4.527 2.168 1.00 0.00 C ATOM 1304 C ASN A 86 -12.967 -4.614 2.981 1.00 0.00 C ATOM 1305 O ASN A 86 -12.999 -4.857 4.174 1.00 0.00 O ATOM 1306 CB ASN A 86 -14.499 -5.837 1.399 1.00 0.00 C ATOM 1307 CG ASN A 86 -15.862 -5.785 0.698 1.00 0.00 C ATOM 1308 OD1 ASN A 86 -16.763 -5.112 1.157 1.00 0.00 O ATOM 1309 ND2 ASN A 86 -16.058 -6.471 -0.402 1.00 0.00 N ATOM 0 H ASN A 86 -14.306 -3.722 0.170 1.00 0.00 H new ATOM 0 HA ASN A 86 -15.080 -4.333 2.868 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -13.707 -5.986 0.666 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -14.463 -6.684 2.084 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -16.964 -6.438 -0.869 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -15.304 -7.037 -0.791 1.00 0.00 H new ATOM 1316 N ILE A 87 -11.821 -4.412 2.358 1.00 0.00 N ATOM 1317 CA ILE A 87 -10.534 -4.485 3.137 1.00 0.00 C ATOM 1318 C ILE A 87 -10.510 -3.376 4.205 1.00 0.00 C ATOM 1319 O ILE A 87 -10.029 -3.588 5.303 1.00 0.00 O ATOM 1320 CB ILE A 87 -9.387 -4.288 2.127 1.00 0.00 C ATOM 1321 CG1 ILE A 87 -9.429 -5.409 1.080 1.00 0.00 C ATOM 1322 CG2 ILE A 87 -8.042 -4.332 2.856 1.00 0.00 C ATOM 1323 CD1 ILE A 87 -9.028 -4.851 -0.288 1.00 0.00 C ATOM 0 H ILE A 87 -11.722 -4.204 1.364 1.00 0.00 H new ATOM 0 HA ILE A 87 -10.433 -5.442 3.649 1.00 0.00 H new ATOM 0 HB ILE A 87 -9.504 -3.321 1.637 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -8.753 -6.214 1.368 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -10.431 -5.836 1.030 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -7.234 -4.192 2.138 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -8.006 -3.538 3.602 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -7.927 -5.297 3.349 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -9.059 -5.649 -1.030 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -9.721 -4.061 -0.576 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -8.018 -4.445 -0.233 1.00 0.00 H new ATOM 1335 N VAL A 88 -11.025 -2.196 3.904 1.00 0.00 N ATOM 1336 CA VAL A 88 -11.016 -1.094 4.937 1.00 0.00 C ATOM 1337 C VAL A 88 -11.772 -1.543 6.197 1.00 0.00 C ATOM 1338 O VAL A 88 -11.373 -1.228 7.302 1.00 0.00 O ATOM 1339 CB VAL A 88 -11.705 0.128 4.301 1.00 0.00 C ATOM 1340 CG1 VAL A 88 -11.743 1.285 5.305 1.00 0.00 C ATOM 1341 CG2 VAL A 88 -10.916 0.567 3.067 1.00 0.00 C ATOM 0 H VAL A 88 -11.443 -1.951 3.006 1.00 0.00 H new ATOM 0 HA VAL A 88 -9.997 -0.848 5.235 1.00 0.00 H new ATOM 0 HB VAL A 88 -12.722 -0.142 4.018 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -12.231 2.146 4.849 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -12.299 0.979 6.191 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -10.726 1.553 5.590 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -11.401 1.432 2.614 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -9.900 0.832 3.360 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -10.884 -0.250 2.346 1.00 0.00 H new ATOM 1351 N SER A 89 -12.856 -2.283 6.050 1.00 0.00 N ATOM 1352 CA SER A 89 -13.612 -2.746 7.275 1.00 0.00 C ATOM 1353 C SER A 89 -12.663 -3.528 8.195 1.00 0.00 C ATOM 1354 O SER A 89 -12.669 -3.343 9.398 1.00 0.00 O ATOM 1355 CB SER A 89 -14.746 -3.657 6.784 1.00 0.00 C ATOM 1356 OG SER A 89 -15.654 -2.894 5.998 1.00 0.00 O ATOM 0 H SER A 89 -13.245 -2.582 5.156 1.00 0.00 H new ATOM 0 HA SER A 89 -14.014 -1.903 7.837 1.00 0.00 H new ATOM 0 HB2 SER A 89 -14.339 -4.479 6.195 1.00 0.00 H new ATOM 0 HB3 SER A 89 -15.266 -4.100 7.633 1.00 0.00 H new ATOM 0 HG SER A 89 -16.379 -3.473 5.681 1.00 0.00 H new ATOM 1362 N LYS A 90 -11.824 -4.378 7.637 1.00 0.00 N ATOM 1363 CA LYS A 90 -10.854 -5.138 8.502 1.00 0.00 C ATOM 1364 C LYS A 90 -9.780 -4.176 9.033 1.00 0.00 C ATOM 1365 O LYS A 90 -9.335 -4.309 10.159 1.00 0.00 O ATOM 1366 CB LYS A 90 -10.217 -6.221 7.618 1.00 0.00 C ATOM 1367 CG LYS A 90 -11.130 -7.448 7.575 1.00 0.00 C ATOM 1368 CD LYS A 90 -10.369 -8.631 6.974 1.00 0.00 C ATOM 1369 CE LYS A 90 -10.446 -8.566 5.447 1.00 0.00 C ATOM 1370 NZ LYS A 90 -10.483 -9.986 5.004 1.00 0.00 N ATOM 0 H LYS A 90 -11.768 -4.576 6.638 1.00 0.00 H new ATOM 0 HA LYS A 90 -11.354 -5.591 9.358 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -10.059 -5.836 6.610 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -9.238 -6.497 8.011 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -11.472 -7.695 8.580 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -12.018 -7.233 6.980 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -9.328 -8.609 7.297 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -10.794 -9.569 7.330 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -11.335 -8.027 5.119 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -9.585 -8.044 5.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -10.536 -10.025 3.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -9.622 -10.472 5.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -11.317 -10.455 5.411 1.00 0.00 H new ATOM 1384 N ILE A 91 -9.368 -3.197 8.247 1.00 0.00 N ATOM 1385 CA ILE A 91 -8.335 -2.230 8.753 1.00 0.00 C ATOM 1386 C ILE A 91 -8.968 -1.319 9.814 1.00 0.00 C ATOM 1387 O ILE A 91 -8.346 -1.007 10.813 1.00 0.00 O ATOM 1388 CB ILE A 91 -7.858 -1.400 7.541 1.00 0.00 C ATOM 1389 CG1 ILE A 91 -7.256 -2.323 6.467 1.00 0.00 C ATOM 1390 CG2 ILE A 91 -6.795 -0.395 7.994 1.00 0.00 C ATOM 1391 CD1 ILE A 91 -6.113 -3.154 7.061 1.00 0.00 C ATOM 0 H ILE A 91 -9.697 -3.030 7.296 1.00 0.00 H new ATOM 0 HA ILE A 91 -7.493 -2.749 9.211 1.00 0.00 H new ATOM 0 HB ILE A 91 -8.713 -0.871 7.120 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -8.028 -2.983 6.071 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -6.886 -1.728 5.632 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -6.459 0.190 7.138 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -7.221 0.271 8.744 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -5.948 -0.930 8.423 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -5.696 -3.803 6.290 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -5.335 -2.488 7.435 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -6.494 -3.763 7.881 1.00 0.00 H new ATOM 1403 N ARG A 92 -10.201 -0.896 9.616 1.00 0.00 N ATOM 1404 CA ARG A 92 -10.853 -0.010 10.645 1.00 0.00 C ATOM 1405 C ARG A 92 -10.951 -0.750 11.986 1.00 0.00 C ATOM 1406 O ARG A 92 -10.768 -0.155 13.033 1.00 0.00 O ATOM 1407 CB ARG A 92 -12.257 0.329 10.119 1.00 0.00 C ATOM 1408 CG ARG A 92 -12.826 1.512 10.907 1.00 0.00 C ATOM 1409 CD ARG A 92 -14.348 1.540 10.758 1.00 0.00 C ATOM 1410 NE ARG A 92 -14.863 0.785 11.934 1.00 0.00 N ATOM 1411 CZ ARG A 92 -15.581 1.395 12.837 1.00 0.00 C ATOM 1412 NH1 ARG A 92 -15.043 2.320 13.583 1.00 0.00 N ATOM 1413 NH2 ARG A 92 -16.837 1.078 12.995 1.00 0.00 N ATOM 0 H ARG A 92 -10.775 -1.120 8.803 1.00 0.00 H new ATOM 0 HA ARG A 92 -10.272 0.898 10.807 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -12.210 0.574 9.058 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -12.913 -0.536 10.218 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -12.555 1.426 11.959 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -12.397 2.445 10.542 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -14.725 2.563 10.749 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -14.662 1.076 9.823 1.00 0.00 H new ATOM 0 HE ARG A 92 -14.655 -0.209 12.034 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -14.061 2.567 13.461 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -15.604 2.797 14.289 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -17.257 0.354 12.413 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -17.398 1.555 13.701 1.00 0.00 H new ATOM 1427 N MET A 93 -11.223 -2.040 11.973 1.00 0.00 N ATOM 1428 CA MET A 93 -11.308 -2.789 13.277 1.00 0.00 C ATOM 1429 C MET A 93 -9.902 -2.952 13.867 1.00 0.00 C ATOM 1430 O MET A 93 -9.709 -2.807 15.059 1.00 0.00 O ATOM 1431 CB MET A 93 -11.927 -4.161 12.969 1.00 0.00 C ATOM 1432 CG MET A 93 -12.853 -4.573 14.115 1.00 0.00 C ATOM 1433 SD MET A 93 -13.335 -6.305 13.908 1.00 0.00 S ATOM 1434 CE MET A 93 -15.105 -6.022 13.664 1.00 0.00 C ATOM 0 H MET A 93 -11.387 -2.597 11.135 1.00 0.00 H new ATOM 0 HA MET A 93 -11.917 -2.253 14.005 1.00 0.00 H new ATOM 0 HB2 MET A 93 -12.485 -4.118 12.034 1.00 0.00 H new ATOM 0 HB3 MET A 93 -11.141 -4.905 12.837 1.00 0.00 H new ATOM 0 HG2 MET A 93 -12.348 -4.437 15.071 1.00 0.00 H new ATOM 0 HG3 MET A 93 -13.738 -3.937 14.128 1.00 0.00 H new ATOM 0 HE1 MET A 93 -15.609 -6.977 13.514 1.00 0.00 H new ATOM 0 HE2 MET A 93 -15.519 -5.527 14.543 1.00 0.00 H new ATOM 0 HE3 MET A 93 -15.255 -5.391 12.788 1.00 0.00 H new ATOM 1444 N MET A 94 -8.913 -3.232 13.043 1.00 0.00 N ATOM 1445 CA MET A 94 -7.517 -3.376 13.584 1.00 0.00 C ATOM 1446 C MET A 94 -6.966 -1.993 13.953 1.00 0.00 C ATOM 1447 O MET A 94 -6.297 -1.841 14.959 1.00 0.00 O ATOM 1448 CB MET A 94 -6.670 -4.016 12.472 1.00 0.00 C ATOM 1449 CG MET A 94 -5.622 -4.939 13.096 1.00 0.00 C ATOM 1450 SD MET A 94 -4.157 -3.974 13.544 1.00 0.00 S ATOM 1451 CE MET A 94 -3.265 -4.177 11.983 1.00 0.00 C ATOM 0 H MET A 94 -9.009 -3.365 12.036 1.00 0.00 H new ATOM 0 HA MET A 94 -7.498 -3.995 14.481 1.00 0.00 H new ATOM 0 HB2 MET A 94 -7.309 -4.580 11.793 1.00 0.00 H new ATOM 0 HB3 MET A 94 -6.182 -3.241 11.881 1.00 0.00 H new ATOM 0 HG2 MET A 94 -6.033 -5.428 13.979 1.00 0.00 H new ATOM 0 HG3 MET A 94 -5.351 -5.727 12.393 1.00 0.00 H new ATOM 0 HE1 MET A 94 -2.465 -3.439 11.922 1.00 0.00 H new ATOM 0 HE2 MET A 94 -2.839 -5.179 11.935 1.00 0.00 H new ATOM 0 HE3 MET A 94 -3.953 -4.035 11.150 1.00 0.00 H new ATOM 1461 N ASN A 95 -7.256 -0.975 13.166 1.00 0.00 N ATOM 1462 CA ASN A 95 -6.752 0.397 13.517 1.00 0.00 C ATOM 1463 C ASN A 95 -7.545 0.943 14.715 1.00 0.00 C ATOM 1464 O ASN A 95 -6.991 1.605 15.572 1.00 0.00 O ATOM 1465 CB ASN A 95 -6.958 1.286 12.280 1.00 0.00 C ATOM 1466 CG ASN A 95 -5.735 1.175 11.359 1.00 0.00 C ATOM 1467 OD1 ASN A 95 -5.586 0.120 10.593 1.00 0.00 O flip ATOM 1468 ND2 ASN A 95 -4.903 2.059 11.335 1.00 0.00 N flip ATOM 0 H ASN A 95 -7.810 -1.034 12.311 1.00 0.00 H new ATOM 0 HA ASN A 95 -5.698 0.375 13.794 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -7.858 0.981 11.746 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -7.104 2.322 12.584 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -5.015 2.881 11.929 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -4.092 1.980 10.721 1.00 0.00 H new ATOM 1475 N ALA A 96 -8.831 0.656 14.796 1.00 0.00 N ATOM 1476 CA ALA A 96 -9.627 1.159 15.970 1.00 0.00 C ATOM 1477 C ALA A 96 -9.157 0.453 17.251 1.00 0.00 C ATOM 1478 O ALA A 96 -9.092 1.060 18.303 1.00 0.00 O ATOM 1479 CB ALA A 96 -11.101 0.827 15.687 1.00 0.00 C ATOM 0 H ALA A 96 -9.354 0.106 14.114 1.00 0.00 H new ATOM 0 HA ALA A 96 -9.495 2.232 16.109 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -11.718 1.175 16.516 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -11.415 1.321 14.768 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -11.216 -0.251 15.577 1.00 0.00 H new ATOM 1485 N GLN A 97 -8.820 -0.822 17.176 1.00 0.00 N ATOM 1486 CA GLN A 97 -8.345 -1.538 18.415 1.00 0.00 C ATOM 1487 C GLN A 97 -7.074 -0.864 18.950 1.00 0.00 C ATOM 1488 O GLN A 97 -6.913 -0.705 20.147 1.00 0.00 O ATOM 1489 CB GLN A 97 -8.043 -2.989 18.004 1.00 0.00 C ATOM 1490 CG GLN A 97 -8.087 -3.888 19.242 1.00 0.00 C ATOM 1491 CD GLN A 97 -7.157 -5.090 19.034 1.00 0.00 C ATOM 1492 OE1 GLN A 97 -7.619 -6.200 18.853 1.00 0.00 O ATOM 1493 NE2 GLN A 97 -5.857 -4.922 19.053 1.00 0.00 N ATOM 0 H GLN A 97 -8.852 -1.388 16.328 1.00 0.00 H new ATOM 0 HA GLN A 97 -9.099 -1.507 19.202 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -8.771 -3.329 17.268 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -7.062 -3.048 17.533 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -7.780 -3.326 20.124 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -9.107 -4.230 19.420 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -5.465 -3.993 19.204 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -5.237 -5.721 18.916 1.00 0.00 H new ATOM 1502 N SER A 98 -6.171 -0.459 18.080 1.00 0.00 N ATOM 1503 CA SER A 98 -4.915 0.215 18.569 1.00 0.00 C ATOM 1504 C SER A 98 -5.273 1.502 19.328 1.00 0.00 C ATOM 1505 O SER A 98 -4.662 1.822 20.331 1.00 0.00 O ATOM 1506 CB SER A 98 -4.074 0.549 17.327 1.00 0.00 C ATOM 1507 OG SER A 98 -4.538 1.767 16.761 1.00 0.00 O ATOM 0 H SER A 98 -6.246 -0.563 17.068 1.00 0.00 H new ATOM 0 HA SER A 98 -4.362 -0.432 19.249 1.00 0.00 H new ATOM 0 HB2 SER A 98 -3.022 0.638 17.599 1.00 0.00 H new ATOM 0 HB3 SER A 98 -4.147 -0.256 16.596 1.00 0.00 H new ATOM 0 HG SER A 98 -5.364 1.601 16.260 1.00 0.00 H new ATOM 1513 N LEU A 99 -6.257 2.241 18.863 1.00 0.00 N ATOM 1514 CA LEU A 99 -6.648 3.501 19.565 1.00 0.00 C ATOM 1515 C LEU A 99 -8.100 3.405 20.063 1.00 0.00 C ATOM 1516 O LEU A 99 -8.834 4.374 20.021 1.00 0.00 O ATOM 1517 CB LEU A 99 -6.518 4.595 18.506 1.00 0.00 C ATOM 1518 CG LEU A 99 -6.511 5.965 19.186 1.00 0.00 C ATOM 1519 CD1 LEU A 99 -5.148 6.206 19.836 1.00 0.00 C ATOM 1520 CD2 LEU A 99 -6.777 7.052 18.141 1.00 0.00 C ATOM 0 H LEU A 99 -6.803 2.023 18.029 1.00 0.00 H new ATOM 0 HA LEU A 99 -6.026 3.698 20.438 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -5.600 4.456 17.935 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -7.346 4.532 17.799 1.00 0.00 H new ATOM 0 HG LEU A 99 -7.287 5.996 19.950 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -5.143 7.182 20.320 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -4.957 5.431 20.579 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -4.370 6.176 19.073 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -6.772 8.029 18.623 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -6.000 7.021 17.377 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -7.748 6.881 17.677 1.00 0.00 H new ATOM 1532 N GLY A 100 -8.525 2.247 20.534 1.00 0.00 N ATOM 1533 CA GLY A 100 -9.932 2.112 21.024 1.00 0.00 C ATOM 1534 C GLY A 100 -10.014 1.011 22.095 1.00 0.00 C ATOM 1535 O GLY A 100 -10.303 -0.132 21.789 1.00 0.00 O ATOM 0 H GLY A 100 -7.959 1.401 20.597 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -10.274 3.060 21.439 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -10.594 1.871 20.192 1.00 0.00 H new ATOM 1539 N GLN A 101 -9.763 1.340 23.346 1.00 0.00 N ATOM 1540 CA GLN A 101 -9.832 0.302 24.421 1.00 0.00 C ATOM 1541 C GLN A 101 -11.013 0.591 25.361 1.00 0.00 C ATOM 1542 O GLN A 101 -11.145 1.686 25.874 1.00 0.00 O ATOM 1543 CB GLN A 101 -8.503 0.412 25.175 1.00 0.00 C ATOM 1544 CG GLN A 101 -7.341 0.100 24.227 1.00 0.00 C ATOM 1545 CD GLN A 101 -6.694 1.408 23.751 1.00 0.00 C ATOM 1546 OE1 GLN A 101 -7.385 2.365 23.462 1.00 0.00 O ATOM 1547 NE2 GLN A 101 -5.390 1.495 23.656 1.00 0.00 N ATOM 0 H GLN A 101 -9.515 2.277 23.663 1.00 0.00 H new ATOM 0 HA GLN A 101 -9.984 -0.699 24.017 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -8.390 1.415 25.586 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -8.494 -0.280 26.017 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -6.601 -0.519 24.735 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -7.701 -0.471 23.371 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -4.806 0.694 23.898 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -4.958 2.364 23.340 1.00 0.00 H new ATOM 1556 N SER A 102 -11.876 -0.382 25.596 1.00 0.00 N ATOM 1557 CA SER A 102 -13.049 -0.158 26.505 1.00 0.00 C ATOM 1558 C SER A 102 -13.850 1.084 26.068 1.00 0.00 C ATOM 1559 O SER A 102 -14.002 2.025 26.825 1.00 0.00 O ATOM 1560 CB SER A 102 -12.450 0.046 27.899 1.00 0.00 C ATOM 1561 OG SER A 102 -13.406 -0.332 28.881 1.00 0.00 O ATOM 0 H SER A 102 -11.815 -1.318 25.196 1.00 0.00 H new ATOM 0 HA SER A 102 -13.743 -0.998 26.482 1.00 0.00 H new ATOM 0 HB2 SER A 102 -11.544 -0.550 28.009 1.00 0.00 H new ATOM 0 HB3 SER A 102 -12.164 1.089 28.036 1.00 0.00 H new ATOM 0 HG SER A 102 -13.025 -0.204 29.775 1.00 0.00 H new ATOM 1567 N ASP A 103 -14.362 1.096 24.853 1.00 0.00 N ATOM 1568 CA ASP A 103 -15.146 2.277 24.383 1.00 0.00 C ATOM 1569 C ASP A 103 -16.330 1.820 23.513 1.00 0.00 C ATOM 1570 O ASP A 103 -17.472 2.091 23.831 1.00 0.00 O ATOM 1571 CB ASP A 103 -14.157 3.108 23.562 1.00 0.00 C ATOM 1572 CG ASP A 103 -14.846 4.378 23.057 1.00 0.00 C ATOM 1573 OD1 ASP A 103 -15.574 4.286 22.083 1.00 0.00 O ATOM 1574 OD2 ASP A 103 -14.633 5.420 23.655 1.00 0.00 O ATOM 0 H ASP A 103 -14.268 0.340 24.175 1.00 0.00 H new ATOM 0 HA ASP A 103 -15.568 2.849 25.209 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -13.292 3.370 24.172 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -13.787 2.523 22.719 1.00 0.00 H new ATOM 1579 N ILE A 104 -16.071 1.130 22.419 1.00 0.00 N ATOM 1580 CA ILE A 104 -17.192 0.667 21.544 1.00 0.00 C ATOM 1581 C ILE A 104 -16.825 -0.664 20.858 1.00 0.00 C ATOM 1582 O ILE A 104 -15.733 -0.815 20.344 1.00 0.00 O ATOM 1583 CB ILE A 104 -17.379 1.787 20.512 1.00 0.00 C ATOM 1584 CG1 ILE A 104 -18.521 1.422 19.559 1.00 0.00 C ATOM 1585 CG2 ILE A 104 -16.089 1.981 19.709 1.00 0.00 C ATOM 1586 CD1 ILE A 104 -19.848 1.437 20.321 1.00 0.00 C ATOM 0 H ILE A 104 -15.137 0.872 22.101 1.00 0.00 H new ATOM 0 HA ILE A 104 -18.107 0.481 22.107 1.00 0.00 H new ATOM 0 HB ILE A 104 -17.619 2.713 21.034 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -18.557 2.129 18.731 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -18.348 0.436 19.128 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -16.231 2.778 18.979 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -15.277 2.249 20.385 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -15.840 1.055 19.191 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -20.660 1.177 19.642 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -19.809 0.712 21.134 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -20.021 2.432 20.730 1.00 0.00 H new ATOM 1598 N ALA A 105 -17.727 -1.626 20.845 1.00 0.00 N ATOM 1599 CA ALA A 105 -17.417 -2.933 20.192 1.00 0.00 C ATOM 1600 C ALA A 105 -18.659 -3.477 19.481 1.00 0.00 C ATOM 1601 O ALA A 105 -19.617 -3.798 20.166 1.00 0.00 O ATOM 1602 CB ALA A 105 -17.004 -3.859 21.335 1.00 0.00 C ATOM 1603 OXT ALA A 105 -18.632 -3.563 18.264 1.00 0.00 O ATOM 0 H ALA A 105 -18.657 -1.557 21.258 1.00 0.00 H new ATOM 0 HA ALA A 105 -16.635 -2.843 19.438 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -16.759 -4.843 20.936 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -16.132 -3.446 21.841 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -17.826 -3.950 22.045 1.00 0.00 H new TER 1609 ALA A 105