USER MOD reduce.3.24.130724 H: found=0, std=0, add=680, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 674 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 76 HIS : no HD1:sc= -0.06 X(o=-0.12,f=0) USER MOD Set 1.2: A 80 GLN : amide:sc= -0.0617 X(o=-0.12,f=-0.46) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -117:sc= 0.0836 (180deg=-0.0706) USER MOD Single : A 5 TYR OH : rot 30:sc= -0.753 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -1.46 K(o=-1.5,f=-4.3!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=-0.039) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -0.0378 X(o=-0.038,f=-0.038) USER MOD Single : A 28 TYR OH : rot 62:sc= 1.29 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -23:sc= 0.295 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 CYS SG : rot 180:sc= -0.129 USER MOD Single : A 49 SER OG : rot -38:sc= 0.418 USER MOD Single : A 51 ASN : amide:sc= 1.02 K(o=1,f=-0.16) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.0516 USER MOD Single : A 56 SER OG : rot 130:sc= 1.07 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= -1.33! C(o=-1.3!,f=-4.6!) USER MOD Single : A 61 HIS : no HD1:sc= -0.267 X(o=-0.27,f=-0.074) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 69 MET CE :methyl -166:sc= -0.0298 (180deg=-0.29) USER MOD Single : A 70 CYS SG : rot 63:sc= 0.45 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= 1.13 K(o=1.1,f=0) USER MOD Single : A 77 MET CE :methyl 170:sc= -1.67 (180deg=-2.04) USER MOD Single : A 78 TYR OH : rot 58:sc= -0.876 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.527 -7.260 -3.896 1.00 0.00 N ATOM 2 CA MET A 1 12.759 -7.861 -3.320 1.00 0.00 C ATOM 3 C MET A 1 12.868 -9.349 -3.652 1.00 0.00 C ATOM 4 O MET A 1 11.969 -9.931 -4.269 1.00 0.00 O ATOM 5 CB MET A 1 12.792 -7.656 -1.805 1.00 0.00 C ATOM 6 CG MET A 1 12.966 -6.207 -1.389 1.00 0.00 C ATOM 7 SD MET A 1 13.025 -5.999 0.399 1.00 0.00 S ATOM 8 CE MET A 1 13.088 -4.215 0.527 1.00 0.00 C ATOM 0 H1 MET A 1 11.788 -6.530 -4.589 1.00 0.00 H new ATOM 0 H2 MET A 1 10.967 -8.000 -4.366 1.00 0.00 H new ATOM 0 H3 MET A 1 10.963 -6.830 -3.136 1.00 0.00 H new ATOM 0 HA MET A 1 13.614 -7.355 -3.769 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.867 -8.040 -1.375 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.607 -8.246 -1.385 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.884 -5.815 -1.827 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.144 -5.616 -1.792 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.128 -3.927 1.577 1.00 0.00 H new ATOM 0 HE2 MET A 1 13.976 -3.845 0.015 1.00 0.00 H new ATOM 0 HE3 MET A 1 12.198 -3.786 0.067 1.00 0.00 H new ATOM 17 N GLY A 2 13.963 -9.967 -3.219 1.00 0.00 N ATOM 18 CA GLY A 2 14.199 -11.371 -3.510 1.00 0.00 C ATOM 19 C GLY A 2 13.463 -12.308 -2.567 1.00 0.00 C ATOM 20 O GLY A 2 14.055 -13.243 -2.024 1.00 0.00 O ATOM 0 H GLY A 2 14.695 -9.518 -2.669 1.00 0.00 H new ATOM 0 HA2 GLY A 2 13.891 -11.580 -4.534 1.00 0.00 H new ATOM 0 HA3 GLY A 2 15.269 -11.573 -3.452 1.00 0.00 H new ATOM 24 N ARG A 3 12.182 -12.065 -2.369 1.00 0.00 N ATOM 25 CA ARG A 3 11.371 -12.906 -1.510 1.00 0.00 C ATOM 26 C ARG A 3 10.125 -13.343 -2.269 1.00 0.00 C ATOM 27 O ARG A 3 9.406 -12.510 -2.818 1.00 0.00 O ATOM 28 CB ARG A 3 10.993 -12.164 -0.222 1.00 0.00 C ATOM 29 CG ARG A 3 10.245 -13.029 0.776 1.00 0.00 C ATOM 30 CD ARG A 3 9.862 -12.260 2.039 1.00 0.00 C ATOM 31 NE ARG A 3 11.028 -11.760 2.788 1.00 0.00 N ATOM 32 CZ ARG A 3 11.919 -12.533 3.438 1.00 0.00 C ATOM 33 NH1 ARG A 3 11.850 -13.862 3.357 1.00 0.00 N ATOM 34 NH2 ARG A 3 12.865 -11.973 4.177 1.00 0.00 N ATOM 0 H ARG A 3 11.678 -11.287 -2.794 1.00 0.00 H new ATOM 0 HA ARG A 3 11.945 -13.788 -1.225 1.00 0.00 H new ATOM 0 HB2 ARG A 3 11.899 -11.782 0.248 1.00 0.00 H new ATOM 0 HB3 ARG A 3 10.378 -11.301 -0.476 1.00 0.00 H new ATOM 0 HG2 ARG A 3 9.344 -13.424 0.307 1.00 0.00 H new ATOM 0 HG3 ARG A 3 10.864 -13.884 1.048 1.00 0.00 H new ATOM 0 HD2 ARG A 3 9.225 -11.419 1.766 1.00 0.00 H new ATOM 0 HD3 ARG A 3 9.272 -12.908 2.687 1.00 0.00 H new ATOM 0 HE ARG A 3 11.172 -10.751 2.816 1.00 0.00 H new ATOM 0 HH11 ARG A 3 11.118 -14.302 2.799 1.00 0.00 H new ATOM 0 HH12 ARG A 3 12.529 -14.439 3.853 1.00 0.00 H new ATOM 0 HH21 ARG A 3 12.918 -10.957 4.253 1.00 0.00 H new ATOM 0 HH22 ARG A 3 13.540 -12.558 4.670 1.00 0.00 H new ATOM 48 N LEU A 4 9.868 -14.639 -2.297 1.00 0.00 N ATOM 49 CA LEU A 4 8.753 -15.167 -3.067 1.00 0.00 C ATOM 50 C LEU A 4 7.715 -15.844 -2.183 1.00 0.00 C ATOM 51 O LEU A 4 8.029 -16.354 -1.106 1.00 0.00 O ATOM 52 CB LEU A 4 9.255 -16.155 -4.127 1.00 0.00 C ATOM 53 CG LEU A 4 10.233 -15.591 -5.162 1.00 0.00 C ATOM 54 CD1 LEU A 4 10.694 -16.687 -6.109 1.00 0.00 C ATOM 55 CD2 LEU A 4 9.598 -14.448 -5.940 1.00 0.00 C ATOM 0 H LEU A 4 10.413 -15.343 -1.799 1.00 0.00 H new ATOM 0 HA LEU A 4 8.272 -14.320 -3.556 1.00 0.00 H new ATOM 0 HB2 LEU A 4 9.737 -16.989 -3.618 1.00 0.00 H new ATOM 0 HB3 LEU A 4 8.392 -16.560 -4.655 1.00 0.00 H new ATOM 0 HG LEU A 4 11.102 -15.201 -4.632 1.00 0.00 H new ATOM 0 HD11 LEU A 4 11.388 -16.270 -6.838 1.00 0.00 H new ATOM 0 HD12 LEU A 4 11.193 -17.472 -5.541 1.00 0.00 H new ATOM 0 HD13 LEU A 4 9.832 -17.106 -6.628 1.00 0.00 H new ATOM 0 HD21 LEU A 4 10.311 -14.064 -6.669 1.00 0.00 H new ATOM 0 HD22 LEU A 4 8.709 -14.810 -6.458 1.00 0.00 H new ATOM 0 HD23 LEU A 4 9.318 -13.651 -5.252 1.00 0.00 H new ATOM 67 N TYR A 5 6.473 -15.812 -2.646 1.00 0.00 N ATOM 68 CA TYR A 5 5.359 -16.468 -1.980 1.00 0.00 C ATOM 69 C TYR A 5 4.481 -17.149 -3.015 1.00 0.00 C ATOM 70 O TYR A 5 4.514 -16.785 -4.192 1.00 0.00 O ATOM 71 CB TYR A 5 4.528 -15.474 -1.166 1.00 0.00 C ATOM 72 CG TYR A 5 5.236 -14.920 0.047 1.00 0.00 C ATOM 73 CD1 TYR A 5 5.509 -15.732 1.138 1.00 0.00 C ATOM 74 CD2 TYR A 5 5.630 -13.591 0.103 1.00 0.00 C ATOM 75 CE1 TYR A 5 6.150 -15.239 2.252 1.00 0.00 C ATOM 76 CE2 TYR A 5 6.273 -13.086 1.217 1.00 0.00 C ATOM 77 CZ TYR A 5 6.530 -13.917 2.289 1.00 0.00 C ATOM 78 OH TYR A 5 7.170 -13.423 3.403 1.00 0.00 O ATOM 0 H TYR A 5 6.209 -15.325 -3.503 1.00 0.00 H new ATOM 0 HA TYR A 5 5.763 -17.209 -1.290 1.00 0.00 H new ATOM 0 HB2 TYR A 5 4.237 -14.646 -1.813 1.00 0.00 H new ATOM 0 HB3 TYR A 5 3.609 -15.964 -0.844 1.00 0.00 H new ATOM 0 HD1 TYR A 5 5.213 -16.770 1.113 1.00 0.00 H new ATOM 0 HD2 TYR A 5 5.431 -12.941 -0.737 1.00 0.00 H new ATOM 0 HE1 TYR A 5 6.354 -15.886 3.092 1.00 0.00 H new ATOM 0 HE2 TYR A 5 6.572 -12.049 1.249 1.00 0.00 H new ATOM 0 HH TYR A 5 7.687 -14.139 3.828 1.00 0.00 H new ATOM 88 N SER A 6 3.712 -18.135 -2.593 1.00 0.00 N ATOM 89 CA SER A 6 2.849 -18.865 -3.507 1.00 0.00 C ATOM 90 C SER A 6 1.524 -18.126 -3.741 1.00 0.00 C ATOM 91 O SER A 6 1.344 -17.470 -4.769 1.00 0.00 O ATOM 92 CB SER A 6 2.591 -20.270 -2.968 1.00 0.00 C ATOM 93 OG SER A 6 3.810 -20.906 -2.630 1.00 0.00 O ATOM 0 H SER A 6 3.666 -18.450 -1.624 1.00 0.00 H new ATOM 0 HA SER A 6 3.357 -18.938 -4.468 1.00 0.00 H new ATOM 0 HB2 SER A 6 1.947 -20.216 -2.090 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.062 -20.861 -3.716 1.00 0.00 H new ATOM 0 HG SER A 6 3.625 -21.804 -2.285 1.00 0.00 H new ATOM 99 N GLY A 7 0.622 -18.200 -2.771 1.00 0.00 N ATOM 100 CA GLY A 7 -0.681 -17.579 -2.917 1.00 0.00 C ATOM 101 C GLY A 7 -0.824 -16.335 -2.081 1.00 0.00 C ATOM 102 O GLY A 7 -1.745 -16.217 -1.283 1.00 0.00 O ATOM 0 H GLY A 7 0.770 -18.680 -1.883 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.845 -17.329 -3.965 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.454 -18.294 -2.634 1.00 0.00 H new ATOM 106 N ASN A 8 0.093 -15.409 -2.255 1.00 0.00 N ATOM 107 CA ASN A 8 0.065 -14.165 -1.499 1.00 0.00 C ATOM 108 C ASN A 8 0.160 -12.972 -2.438 1.00 0.00 C ATOM 109 O ASN A 8 -0.750 -12.151 -2.523 1.00 0.00 O ATOM 110 CB ASN A 8 1.220 -14.118 -0.483 1.00 0.00 C ATOM 111 CG ASN A 8 1.190 -15.269 0.512 1.00 0.00 C ATOM 112 OD1 ASN A 8 1.781 -16.327 0.279 1.00 0.00 O ATOM 113 ND2 ASN A 8 0.512 -15.075 1.623 1.00 0.00 N ATOM 0 H ASN A 8 0.869 -15.489 -2.912 1.00 0.00 H new ATOM 0 HA ASN A 8 -0.880 -14.120 -0.958 1.00 0.00 H new ATOM 0 HB2 ASN A 8 2.168 -14.135 -1.020 1.00 0.00 H new ATOM 0 HB3 ASN A 8 1.178 -13.175 0.061 1.00 0.00 H new ATOM 0 HD21 ASN A 8 0.463 -15.813 2.326 1.00 0.00 H new ATOM 0 HD22 ASN A 8 0.036 -14.187 1.781 1.00 0.00 H new ATOM 120 N LEU A 9 1.275 -12.901 -3.153 1.00 0.00 N ATOM 121 CA LEU A 9 1.556 -11.806 -4.092 1.00 0.00 C ATOM 122 C LEU A 9 0.596 -11.760 -5.300 1.00 0.00 C ATOM 123 O LEU A 9 0.761 -10.919 -6.179 1.00 0.00 O ATOM 124 CB LEU A 9 3.003 -11.911 -4.592 1.00 0.00 C ATOM 125 CG LEU A 9 4.092 -11.859 -3.514 1.00 0.00 C ATOM 126 CD1 LEU A 9 5.468 -12.034 -4.136 1.00 0.00 C ATOM 127 CD2 LEU A 9 4.021 -10.551 -2.738 1.00 0.00 C ATOM 0 H LEU A 9 2.016 -13.600 -3.103 1.00 0.00 H new ATOM 0 HA LEU A 9 1.403 -10.880 -3.537 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.109 -12.846 -5.143 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.181 -11.102 -5.300 1.00 0.00 H new ATOM 0 HG LEU A 9 3.921 -12.680 -2.817 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.228 -11.994 -3.356 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.518 -12.998 -4.643 1.00 0.00 H new ATOM 0 HD13 LEU A 9 5.646 -11.236 -4.856 1.00 0.00 H new ATOM 0 HD21 LEU A 9 4.803 -10.536 -1.978 1.00 0.00 H new ATOM 0 HD22 LEU A 9 4.163 -9.714 -3.422 1.00 0.00 H new ATOM 0 HD23 LEU A 9 3.046 -10.465 -2.257 1.00 0.00 H new ATOM 139 N ALA A 10 -0.407 -12.636 -5.327 1.00 0.00 N ATOM 140 CA ALA A 10 -1.351 -12.694 -6.446 1.00 0.00 C ATOM 141 C ALA A 10 -2.075 -11.353 -6.655 1.00 0.00 C ATOM 142 O ALA A 10 -2.081 -10.809 -7.756 1.00 0.00 O ATOM 143 CB ALA A 10 -2.360 -13.813 -6.223 1.00 0.00 C ATOM 0 H ALA A 10 -0.588 -13.316 -4.588 1.00 0.00 H new ATOM 0 HA ALA A 10 -0.780 -12.901 -7.351 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.057 -13.847 -7.061 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -1.836 -14.766 -6.148 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.910 -13.628 -5.301 1.00 0.00 H new ATOM 149 N ALA A 11 -2.661 -10.819 -5.590 1.00 0.00 N ATOM 150 CA ALA A 11 -3.361 -9.528 -5.663 1.00 0.00 C ATOM 151 C ALA A 11 -2.367 -8.379 -5.542 1.00 0.00 C ATOM 152 O ALA A 11 -2.593 -7.275 -6.046 1.00 0.00 O ATOM 153 CB ALA A 11 -4.417 -9.438 -4.572 1.00 0.00 C ATOM 0 H ALA A 11 -2.669 -11.252 -4.667 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.857 -9.454 -6.631 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -4.927 -8.477 -4.638 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -5.141 -10.243 -4.699 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -3.940 -9.529 -3.596 1.00 0.00 H new ATOM 159 N PHE A 12 -1.270 -8.672 -4.875 1.00 0.00 N ATOM 160 CA PHE A 12 -0.207 -7.698 -4.642 1.00 0.00 C ATOM 161 C PHE A 12 0.329 -7.172 -5.981 1.00 0.00 C ATOM 162 O PHE A 12 0.489 -5.960 -6.170 1.00 0.00 O ATOM 163 CB PHE A 12 0.919 -8.336 -3.822 1.00 0.00 C ATOM 164 CG PHE A 12 1.980 -7.369 -3.370 1.00 0.00 C ATOM 165 CD1 PHE A 12 3.080 -7.092 -4.169 1.00 0.00 C ATOM 166 CD2 PHE A 12 1.874 -6.736 -2.139 1.00 0.00 C ATOM 167 CE1 PHE A 12 4.052 -6.203 -3.750 1.00 0.00 C ATOM 168 CE2 PHE A 12 2.843 -5.847 -1.715 1.00 0.00 C ATOM 169 CZ PHE A 12 3.934 -5.580 -2.522 1.00 0.00 C ATOM 0 H PHE A 12 -1.084 -9.592 -4.476 1.00 0.00 H new ATOM 0 HA PHE A 12 -0.611 -6.857 -4.078 1.00 0.00 H new ATOM 0 HB2 PHE A 12 0.486 -8.818 -2.946 1.00 0.00 H new ATOM 0 HB3 PHE A 12 1.388 -9.119 -4.418 1.00 0.00 H new ATOM 0 HD1 PHE A 12 3.178 -7.577 -5.129 1.00 0.00 H new ATOM 0 HD2 PHE A 12 1.024 -6.941 -1.505 1.00 0.00 H new ATOM 0 HE1 PHE A 12 4.903 -5.995 -4.382 1.00 0.00 H new ATOM 0 HE2 PHE A 12 2.749 -5.361 -0.755 1.00 0.00 H new ATOM 0 HZ PHE A 12 4.693 -4.886 -2.193 1.00 0.00 H new ATOM 179 N LYS A 13 0.586 -8.091 -6.909 1.00 0.00 N ATOM 180 CA LYS A 13 1.046 -7.738 -8.253 1.00 0.00 C ATOM 181 C LYS A 13 0.046 -6.842 -8.980 1.00 0.00 C ATOM 182 O LYS A 13 0.439 -5.906 -9.666 1.00 0.00 O ATOM 183 CB LYS A 13 1.304 -9.008 -9.079 1.00 0.00 C ATOM 184 CG LYS A 13 2.482 -9.840 -8.594 1.00 0.00 C ATOM 185 CD LYS A 13 3.791 -9.104 -8.806 1.00 0.00 C ATOM 186 CE LYS A 13 4.981 -9.914 -8.320 1.00 0.00 C ATOM 187 NZ LYS A 13 6.263 -9.222 -8.603 1.00 0.00 N ATOM 0 H LYS A 13 0.483 -9.094 -6.754 1.00 0.00 H new ATOM 0 HA LYS A 13 1.976 -7.180 -8.142 1.00 0.00 H new ATOM 0 HB2 LYS A 13 0.406 -9.626 -9.064 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.477 -8.724 -10.117 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.358 -10.071 -7.536 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.505 -10.790 -9.127 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.913 -8.879 -9.865 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.761 -8.151 -8.279 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.890 -10.089 -7.248 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.979 -10.891 -8.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 7.054 -9.802 -8.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.361 -9.077 -9.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.274 -8.301 -8.121 1.00 0.00 H new ATOM 201 N ALA A 14 -1.237 -7.119 -8.815 1.00 0.00 N ATOM 202 CA ALA A 14 -2.283 -6.355 -9.497 1.00 0.00 C ATOM 203 C ALA A 14 -2.284 -4.879 -9.080 1.00 0.00 C ATOM 204 O ALA A 14 -2.463 -3.990 -9.917 1.00 0.00 O ATOM 205 CB ALA A 14 -3.647 -6.975 -9.230 1.00 0.00 C ATOM 0 H ALA A 14 -1.585 -7.867 -8.215 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.070 -6.394 -10.565 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.416 -6.397 -9.743 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.658 -8.001 -9.597 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -3.845 -6.971 -8.158 1.00 0.00 H new ATOM 211 N ALA A 15 -2.078 -4.628 -7.793 1.00 0.00 N ATOM 212 CA ALA A 15 -2.083 -3.263 -7.253 1.00 0.00 C ATOM 213 C ALA A 15 -0.842 -2.465 -7.676 1.00 0.00 C ATOM 214 O ALA A 15 -0.876 -1.241 -7.738 1.00 0.00 O ATOM 215 CB ALA A 15 -2.199 -3.296 -5.735 1.00 0.00 C ATOM 0 H ALA A 15 -1.904 -5.352 -7.096 1.00 0.00 H new ATOM 0 HA ALA A 15 -2.952 -2.753 -7.670 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -2.201 -2.277 -5.348 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.126 -3.794 -5.452 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -1.352 -3.841 -5.317 1.00 0.00 H new ATOM 221 N THR A 16 0.235 -3.180 -7.977 1.00 0.00 N ATOM 222 CA THR A 16 1.523 -2.562 -8.338 1.00 0.00 C ATOM 223 C THR A 16 1.395 -1.520 -9.476 1.00 0.00 C ATOM 224 O THR A 16 1.960 -0.428 -9.388 1.00 0.00 O ATOM 225 CB THR A 16 2.561 -3.633 -8.738 1.00 0.00 C ATOM 226 OG1 THR A 16 2.630 -4.651 -7.723 1.00 0.00 O ATOM 227 CG2 THR A 16 3.941 -3.008 -8.918 1.00 0.00 C ATOM 0 H THR A 16 0.250 -4.200 -7.980 1.00 0.00 H new ATOM 0 HA THR A 16 1.862 -2.037 -7.445 1.00 0.00 H new ATOM 0 HB THR A 16 2.248 -4.075 -9.684 1.00 0.00 H new ATOM 0 HG1 THR A 16 3.289 -5.328 -7.983 1.00 0.00 H new ATOM 0 HG21 THR A 16 4.656 -3.781 -9.200 1.00 0.00 H new ATOM 0 HG22 THR A 16 3.898 -2.251 -9.701 1.00 0.00 H new ATOM 0 HG23 THR A 16 4.256 -2.546 -7.982 1.00 0.00 H new ATOM 235 N ASN A 17 0.642 -1.848 -10.519 1.00 0.00 N ATOM 236 CA ASN A 17 0.481 -0.942 -11.671 1.00 0.00 C ATOM 237 C ASN A 17 -0.252 0.351 -11.288 1.00 0.00 C ATOM 238 O ASN A 17 -0.062 1.394 -11.920 1.00 0.00 O ATOM 239 CB ASN A 17 -0.245 -1.650 -12.827 1.00 0.00 C ATOM 240 CG ASN A 17 -0.461 -0.749 -14.034 1.00 0.00 C ATOM 241 OD1 ASN A 17 -1.498 -0.093 -14.161 1.00 0.00 O ATOM 242 ND2 ASN A 17 0.516 -0.707 -14.925 1.00 0.00 N ATOM 0 H ASN A 17 0.132 -2.728 -10.600 1.00 0.00 H new ATOM 0 HA ASN A 17 1.482 -0.665 -12.003 1.00 0.00 H new ATOM 0 HB2 ASN A 17 0.332 -2.523 -13.131 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -1.210 -2.013 -12.474 1.00 0.00 H new ATOM 0 HD21 ASN A 17 0.427 -0.117 -15.752 1.00 0.00 H new ATOM 0 HD22 ASN A 17 1.359 -1.264 -14.785 1.00 0.00 H new ATOM 249 N LYS A 18 -1.057 0.291 -10.236 1.00 0.00 N ATOM 250 CA LYS A 18 -1.857 1.435 -9.806 1.00 0.00 C ATOM 251 C LYS A 18 -0.976 2.557 -9.265 1.00 0.00 C ATOM 252 O LYS A 18 -1.259 3.737 -9.477 1.00 0.00 O ATOM 253 CB LYS A 18 -2.904 1.020 -8.770 1.00 0.00 C ATOM 254 CG LYS A 18 -3.970 0.080 -9.310 1.00 0.00 C ATOM 255 CD LYS A 18 -4.794 0.752 -10.400 1.00 0.00 C ATOM 256 CE LYS A 18 -5.864 -0.177 -10.942 1.00 0.00 C ATOM 257 NZ LYS A 18 -6.675 0.477 -11.999 1.00 0.00 N ATOM 0 H LYS A 18 -1.175 -0.542 -9.660 1.00 0.00 H new ATOM 0 HA LYS A 18 -2.382 1.814 -10.683 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.400 0.538 -7.932 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.388 1.915 -8.379 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -3.499 -0.819 -9.708 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.625 -0.237 -8.498 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -5.261 1.653 -10.001 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -4.138 1.066 -11.212 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -5.396 -1.075 -11.346 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -6.516 -0.496 -10.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -7.396 -0.188 -12.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -7.142 1.320 -11.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -6.057 0.758 -12.787 1.00 0.00 H new ATOM 271 N LEU A 19 0.105 2.173 -8.586 1.00 0.00 N ATOM 272 CA LEU A 19 1.005 3.129 -7.932 1.00 0.00 C ATOM 273 C LEU A 19 1.580 4.125 -8.928 1.00 0.00 C ATOM 274 O LEU A 19 1.805 5.284 -8.594 1.00 0.00 O ATOM 275 CB LEU A 19 2.169 2.404 -7.229 1.00 0.00 C ATOM 276 CG LEU A 19 1.879 1.786 -5.853 1.00 0.00 C ATOM 277 CD1 LEU A 19 0.961 0.584 -5.969 1.00 0.00 C ATOM 278 CD2 LEU A 19 3.178 1.399 -5.166 1.00 0.00 C ATOM 0 H LEU A 19 0.382 1.198 -8.473 1.00 0.00 H new ATOM 0 HA LEU A 19 0.409 3.665 -7.193 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.521 1.611 -7.889 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.990 3.112 -7.116 1.00 0.00 H new ATOM 0 HG LEU A 19 1.369 2.536 -5.248 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.776 0.170 -4.978 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.016 0.890 -6.417 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.431 -0.174 -6.596 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.958 0.962 -4.192 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.711 0.671 -5.778 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.798 2.286 -5.035 1.00 0.00 H new ATOM 290 N PHE A 20 1.820 3.671 -10.149 1.00 0.00 N ATOM 291 CA PHE A 20 2.379 4.529 -11.181 1.00 0.00 C ATOM 292 C PHE A 20 1.424 5.690 -11.500 1.00 0.00 C ATOM 293 O PHE A 20 1.855 6.778 -11.858 1.00 0.00 O ATOM 294 CB PHE A 20 2.690 3.720 -12.445 1.00 0.00 C ATOM 295 CG PHE A 20 3.522 4.468 -13.449 1.00 0.00 C ATOM 296 CD1 PHE A 20 4.881 4.643 -13.242 1.00 0.00 C ATOM 297 CD2 PHE A 20 2.953 4.991 -14.595 1.00 0.00 C ATOM 298 CE1 PHE A 20 5.653 5.326 -14.158 1.00 0.00 C ATOM 299 CE2 PHE A 20 3.724 5.676 -15.514 1.00 0.00 C ATOM 300 CZ PHE A 20 5.073 5.843 -15.295 1.00 0.00 C ATOM 0 H PHE A 20 1.636 2.713 -10.449 1.00 0.00 H new ATOM 0 HA PHE A 20 3.312 4.950 -10.806 1.00 0.00 H new ATOM 0 HB2 PHE A 20 3.212 2.806 -12.162 1.00 0.00 H new ATOM 0 HB3 PHE A 20 1.753 3.420 -12.914 1.00 0.00 H new ATOM 0 HD1 PHE A 20 5.341 4.239 -12.352 1.00 0.00 H new ATOM 0 HD2 PHE A 20 1.896 4.863 -14.774 1.00 0.00 H new ATOM 0 HE1 PHE A 20 6.711 5.455 -13.984 1.00 0.00 H new ATOM 0 HE2 PHE A 20 3.268 6.081 -16.405 1.00 0.00 H new ATOM 0 HZ PHE A 20 5.675 6.379 -16.014 1.00 0.00 H new ATOM 310 N GLN A 21 0.124 5.444 -11.354 1.00 0.00 N ATOM 311 CA GLN A 21 -0.895 6.464 -11.620 1.00 0.00 C ATOM 312 C GLN A 21 -0.981 7.466 -10.452 1.00 0.00 C ATOM 313 O GLN A 21 -1.652 8.498 -10.545 1.00 0.00 O ATOM 314 CB GLN A 21 -2.262 5.810 -11.852 1.00 0.00 C ATOM 315 CG GLN A 21 -2.293 4.807 -13.004 1.00 0.00 C ATOM 316 CD GLN A 21 -1.904 5.419 -14.339 1.00 0.00 C ATOM 317 OE1 GLN A 21 -2.731 6.010 -15.027 1.00 0.00 O ATOM 318 NE2 GLN A 21 -0.651 5.256 -14.721 1.00 0.00 N ATOM 0 H GLN A 21 -0.252 4.545 -11.052 1.00 0.00 H new ATOM 0 HA GLN A 21 -0.606 7.004 -12.522 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -2.569 5.304 -10.937 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -2.997 6.591 -12.046 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -1.616 3.983 -12.778 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -3.295 4.385 -13.083 1.00 0.00 H new ATOM 0 HE21 GLN A 21 0.005 4.758 -14.119 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -0.339 5.628 -15.618 1.00 0.00 H new ATOM 327 N LEU A 22 -0.292 7.132 -9.371 1.00 0.00 N ATOM 328 CA LEU A 22 -0.287 7.994 -8.183 1.00 0.00 C ATOM 329 C LEU A 22 1.124 8.549 -7.917 1.00 0.00 C ATOM 330 O LEU A 22 1.321 9.406 -7.051 1.00 0.00 O ATOM 331 CB LEU A 22 -0.862 7.255 -6.963 1.00 0.00 C ATOM 332 CG LEU A 22 -1.074 8.102 -5.701 1.00 0.00 C ATOM 333 CD1 LEU A 22 -1.997 9.280 -5.994 1.00 0.00 C ATOM 334 CD2 LEU A 22 -1.661 7.246 -4.591 1.00 0.00 C ATOM 0 H LEU A 22 0.266 6.283 -9.285 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.938 8.848 -8.372 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.819 6.816 -7.247 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.194 6.430 -6.715 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.108 8.490 -5.379 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.135 9.868 -5.087 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.554 9.906 -6.769 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.963 8.909 -6.336 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.808 7.856 -3.700 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -2.619 6.839 -4.914 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.978 6.428 -4.362 1.00 0.00 H new ATOM 346 N ASP A 23 2.080 8.064 -8.709 1.00 0.00 N ATOM 347 CA ASP A 23 3.476 8.538 -8.678 1.00 0.00 C ATOM 348 C ASP A 23 4.126 8.375 -7.296 1.00 0.00 C ATOM 349 O ASP A 23 4.573 9.355 -6.697 1.00 0.00 O ATOM 350 CB ASP A 23 3.584 10.004 -9.138 1.00 0.00 C ATOM 351 CG ASP A 23 3.236 10.195 -10.597 1.00 0.00 C ATOM 352 OD1 ASP A 23 3.988 9.707 -11.460 1.00 0.00 O ATOM 353 OD2 ASP A 23 2.211 10.856 -10.886 1.00 0.00 O ATOM 0 H ASP A 23 1.914 7.328 -9.395 1.00 0.00 H new ATOM 0 HA ASP A 23 4.023 7.906 -9.378 1.00 0.00 H new ATOM 0 HB2 ASP A 23 2.922 10.619 -8.529 1.00 0.00 H new ATOM 0 HB3 ASP A 23 4.599 10.360 -8.963 1.00 0.00 H new ATOM 358 N LEU A 24 4.158 7.149 -6.779 1.00 0.00 N ATOM 359 CA LEU A 24 4.782 6.901 -5.475 1.00 0.00 C ATOM 360 C LEU A 24 5.426 5.514 -5.383 1.00 0.00 C ATOM 361 O LEU A 24 5.340 4.712 -6.320 1.00 0.00 O ATOM 362 CB LEU A 24 3.806 7.164 -4.300 1.00 0.00 C ATOM 363 CG LEU A 24 2.403 6.536 -4.374 1.00 0.00 C ATOM 364 CD1 LEU A 24 2.462 5.017 -4.326 1.00 0.00 C ATOM 365 CD2 LEU A 24 1.545 7.065 -3.238 1.00 0.00 C ATOM 0 H LEU A 24 3.767 6.322 -7.231 1.00 0.00 H new ATOM 0 HA LEU A 24 5.592 7.624 -5.384 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.282 6.812 -3.385 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.685 8.243 -4.201 1.00 0.00 H new ATOM 0 HG LEU A 24 1.958 6.816 -5.329 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.452 4.612 -4.381 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.047 4.649 -5.169 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.930 4.700 -3.394 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.552 6.618 -3.293 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.006 6.808 -2.284 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.460 8.149 -3.320 1.00 0.00 H new ATOM 377 N ALA A 25 6.071 5.248 -4.249 1.00 0.00 N ATOM 378 CA ALA A 25 6.744 3.976 -4.002 1.00 0.00 C ATOM 379 C ALA A 25 6.250 3.365 -2.690 1.00 0.00 C ATOM 380 O ALA A 25 5.443 3.973 -1.986 1.00 0.00 O ATOM 381 CB ALA A 25 8.254 4.176 -3.963 1.00 0.00 C ATOM 0 H ALA A 25 6.141 5.909 -3.475 1.00 0.00 H new ATOM 0 HA ALA A 25 6.508 3.290 -4.815 1.00 0.00 H new ATOM 0 HB1 ALA A 25 8.743 3.220 -3.778 1.00 0.00 H new ATOM 0 HB2 ALA A 25 8.593 4.578 -4.918 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.508 4.874 -3.165 1.00 0.00 H new ATOM 387 N VAL A 26 6.741 2.172 -2.355 1.00 0.00 N ATOM 388 CA VAL A 26 6.307 1.478 -1.144 1.00 0.00 C ATOM 389 C VAL A 26 7.425 0.568 -0.595 1.00 0.00 C ATOM 390 O VAL A 26 7.961 -0.273 -1.319 1.00 0.00 O ATOM 391 CB VAL A 26 5.006 0.651 -1.390 1.00 0.00 C ATOM 392 CG1 VAL A 26 5.149 -0.279 -2.585 1.00 0.00 C ATOM 393 CG2 VAL A 26 4.625 -0.138 -0.153 1.00 0.00 C ATOM 0 H VAL A 26 7.437 1.668 -2.904 1.00 0.00 H new ATOM 0 HA VAL A 26 6.084 2.241 -0.398 1.00 0.00 H new ATOM 0 HB VAL A 26 4.209 1.361 -1.612 1.00 0.00 H new ATOM 0 HG11 VAL A 26 4.223 -0.838 -2.724 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.357 0.308 -3.480 1.00 0.00 H new ATOM 0 HG13 VAL A 26 5.969 -0.975 -2.409 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.716 -0.706 -0.349 1.00 0.00 H new ATOM 0 HG22 VAL A 26 5.432 -0.824 0.104 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.453 0.547 0.677 1.00 0.00 H new ATOM 403 N ILE A 27 7.788 0.758 0.671 1.00 0.00 N ATOM 404 CA ILE A 27 8.816 -0.083 1.296 1.00 0.00 C ATOM 405 C ILE A 27 8.341 -0.692 2.614 1.00 0.00 C ATOM 406 O ILE A 27 7.545 -0.095 3.340 1.00 0.00 O ATOM 407 CB ILE A 27 10.170 0.662 1.529 1.00 0.00 C ATOM 408 CG1 ILE A 27 10.018 1.871 2.485 1.00 0.00 C ATOM 409 CG2 ILE A 27 10.788 1.088 0.205 1.00 0.00 C ATOM 410 CD1 ILE A 27 9.425 3.117 1.849 1.00 0.00 C ATOM 0 H ILE A 27 7.395 1.475 1.280 1.00 0.00 H new ATOM 0 HA ILE A 27 8.994 -0.882 0.576 1.00 0.00 H new ATOM 0 HB ILE A 27 10.845 -0.043 2.014 1.00 0.00 H new ATOM 0 HG12 ILE A 27 9.390 1.575 3.325 1.00 0.00 H new ATOM 0 HG13 ILE A 27 10.998 2.120 2.892 1.00 0.00 H new ATOM 0 HG21 ILE A 27 11.729 1.604 0.392 1.00 0.00 H new ATOM 0 HG22 ILE A 27 10.973 0.207 -0.410 1.00 0.00 H new ATOM 0 HG23 ILE A 27 10.104 1.758 -0.317 1.00 0.00 H new ATOM 0 HD11 ILE A 27 9.357 3.909 2.595 1.00 0.00 H new ATOM 0 HD12 ILE A 27 10.062 3.445 1.028 1.00 0.00 H new ATOM 0 HD13 ILE A 27 8.429 2.892 1.468 1.00 0.00 H new ATOM 422 N TYR A 28 8.824 -1.890 2.908 1.00 0.00 N ATOM 423 CA TYR A 28 8.475 -2.574 4.146 1.00 0.00 C ATOM 424 C TYR A 28 9.728 -2.880 4.960 1.00 0.00 C ATOM 425 O TYR A 28 10.844 -2.832 4.433 1.00 0.00 O ATOM 426 CB TYR A 28 7.699 -3.875 3.852 1.00 0.00 C ATOM 427 CG TYR A 28 8.516 -4.965 3.177 1.00 0.00 C ATOM 428 CD1 TYR A 28 8.747 -4.949 1.806 1.00 0.00 C ATOM 429 CD2 TYR A 28 9.057 -6.012 3.921 1.00 0.00 C ATOM 430 CE1 TYR A 28 9.490 -5.944 1.199 1.00 0.00 C ATOM 431 CE2 TYR A 28 9.801 -7.006 3.319 1.00 0.00 C ATOM 432 CZ TYR A 28 10.014 -6.971 1.960 1.00 0.00 C ATOM 433 OH TYR A 28 10.760 -7.957 1.358 1.00 0.00 O ATOM 0 H TYR A 28 9.461 -2.411 2.305 1.00 0.00 H new ATOM 0 HA TYR A 28 7.833 -1.914 4.729 1.00 0.00 H new ATOM 0 HB2 TYR A 28 7.303 -4.265 4.790 1.00 0.00 H new ATOM 0 HB3 TYR A 28 6.844 -3.637 3.219 1.00 0.00 H new ATOM 0 HD1 TYR A 28 8.340 -4.148 1.207 1.00 0.00 H new ATOM 0 HD2 TYR A 28 8.891 -6.046 4.988 1.00 0.00 H new ATOM 0 HE1 TYR A 28 9.660 -5.919 0.133 1.00 0.00 H new ATOM 0 HE2 TYR A 28 10.215 -7.808 3.912 1.00 0.00 H new ATOM 0 HH TYR A 28 11.557 -7.560 0.949 1.00 0.00 H new ATOM 443 N ASP A 29 9.547 -3.184 6.236 1.00 0.00 N ATOM 444 CA ASP A 29 10.679 -3.504 7.107 1.00 0.00 C ATOM 445 C ASP A 29 10.749 -4.994 7.352 1.00 0.00 C ATOM 446 O ASP A 29 9.796 -5.589 7.861 1.00 0.00 O ATOM 447 CB ASP A 29 10.576 -2.791 8.467 1.00 0.00 C ATOM 448 CG ASP A 29 10.711 -1.287 8.389 1.00 0.00 C ATOM 449 OD1 ASP A 29 11.535 -0.790 7.584 1.00 0.00 O ATOM 450 OD2 ASP A 29 10.013 -0.592 9.148 1.00 0.00 O ATOM 0 H ASP A 29 8.636 -3.217 6.694 1.00 0.00 H new ATOM 0 HA ASP A 29 11.578 -3.160 6.596 1.00 0.00 H new ATOM 0 HB2 ASP A 29 9.616 -3.035 8.921 1.00 0.00 H new ATOM 0 HB3 ASP A 29 11.350 -3.180 9.129 1.00 0.00 H new ATOM 455 N ASP A 30 11.860 -5.592 6.968 1.00 0.00 N ATOM 456 CA ASP A 30 12.122 -7.002 7.239 1.00 0.00 C ATOM 457 C ASP A 30 12.636 -7.152 8.689 1.00 0.00 C ATOM 458 O ASP A 30 12.768 -6.148 9.402 1.00 0.00 O ATOM 459 CB ASP A 30 13.145 -7.540 6.221 1.00 0.00 C ATOM 460 CG ASP A 30 13.180 -9.052 6.140 1.00 0.00 C ATOM 461 OD1 ASP A 30 12.319 -9.635 5.444 1.00 0.00 O ATOM 462 OD2 ASP A 30 14.072 -9.658 6.758 1.00 0.00 O ATOM 0 H ASP A 30 12.608 -5.120 6.460 1.00 0.00 H new ATOM 0 HA ASP A 30 11.206 -7.584 7.137 1.00 0.00 H new ATOM 0 HB2 ASP A 30 12.911 -7.137 5.236 1.00 0.00 H new ATOM 0 HB3 ASP A 30 14.137 -7.175 6.488 1.00 0.00 H new ATOM 467 N TRP A 31 12.938 -8.377 9.122 1.00 0.00 N ATOM 468 CA TRP A 31 13.334 -8.606 10.518 1.00 0.00 C ATOM 469 C TRP A 31 14.703 -7.979 10.831 1.00 0.00 C ATOM 470 O TRP A 31 15.540 -7.804 9.939 1.00 0.00 O ATOM 471 CB TRP A 31 13.315 -10.110 10.878 1.00 0.00 C ATOM 472 CG TRP A 31 14.352 -10.950 10.183 1.00 0.00 C ATOM 473 CD1 TRP A 31 15.677 -11.027 10.487 1.00 0.00 C ATOM 474 CD2 TRP A 31 14.143 -11.852 9.091 1.00 0.00 C ATOM 475 NE1 TRP A 31 16.307 -11.901 9.649 1.00 0.00 N ATOM 476 CE2 TRP A 31 15.390 -12.426 8.782 1.00 0.00 C ATOM 477 CE3 TRP A 31 13.027 -12.227 8.343 1.00 0.00 C ATOM 478 CZ2 TRP A 31 15.552 -13.353 7.760 1.00 0.00 C ATOM 479 CZ3 TRP A 31 13.190 -13.147 7.328 1.00 0.00 C ATOM 480 CH2 TRP A 31 14.443 -13.701 7.047 1.00 0.00 C ATOM 0 H TRP A 31 12.918 -9.215 8.540 1.00 0.00 H new ATOM 0 HA TRP A 31 12.593 -8.108 11.144 1.00 0.00 H new ATOM 0 HB2 TRP A 31 13.451 -10.211 11.955 1.00 0.00 H new ATOM 0 HB3 TRP A 31 12.329 -10.511 10.643 1.00 0.00 H new ATOM 0 HD1 TRP A 31 16.161 -10.475 11.279 1.00 0.00 H new ATOM 0 HE1 TRP A 31 17.302 -12.126 9.667 1.00 0.00 H new ATOM 0 HE3 TRP A 31 12.055 -11.806 8.554 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 16.518 -13.781 7.539 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 12.335 -13.445 6.740 1.00 0.00 H new ATOM 0 HH2 TRP A 31 14.534 -14.421 6.247 1.00 0.00 H new ATOM 491 N TYR A 32 14.921 -7.645 12.098 1.00 0.00 N ATOM 492 CA TYR A 32 16.164 -6.996 12.526 1.00 0.00 C ATOM 493 C TYR A 32 17.157 -7.983 13.137 1.00 0.00 C ATOM 494 O TYR A 32 18.209 -7.580 13.648 1.00 0.00 O ATOM 495 CB TYR A 32 15.869 -5.860 13.506 1.00 0.00 C ATOM 496 CG TYR A 32 15.129 -4.702 12.877 1.00 0.00 C ATOM 497 CD1 TYR A 32 13.743 -4.688 12.805 1.00 0.00 C ATOM 498 CD2 TYR A 32 15.826 -3.627 12.341 1.00 0.00 C ATOM 499 CE1 TYR A 32 13.072 -3.634 12.216 1.00 0.00 C ATOM 500 CE2 TYR A 32 15.163 -2.570 11.755 1.00 0.00 C ATOM 501 CZ TYR A 32 13.789 -2.576 11.694 1.00 0.00 C ATOM 502 OH TYR A 32 13.127 -1.526 11.100 1.00 0.00 O ATOM 0 H TYR A 32 14.254 -7.812 12.852 1.00 0.00 H new ATOM 0 HA TYR A 32 16.631 -6.583 11.632 1.00 0.00 H new ATOM 0 HB2 TYR A 32 15.280 -6.250 14.336 1.00 0.00 H new ATOM 0 HB3 TYR A 32 16.808 -5.497 13.924 1.00 0.00 H new ATOM 0 HD1 TYR A 32 13.181 -5.514 13.216 1.00 0.00 H new ATOM 0 HD2 TYR A 32 16.905 -3.619 12.384 1.00 0.00 H new ATOM 0 HE1 TYR A 32 11.993 -3.638 12.164 1.00 0.00 H new ATOM 0 HE2 TYR A 32 15.720 -1.740 11.345 1.00 0.00 H new ATOM 0 HH TYR A 32 13.778 -0.864 10.786 1.00 0.00 H new ATOM 512 N ASP A 33 16.815 -9.272 13.086 1.00 0.00 N ATOM 513 CA ASP A 33 17.689 -10.358 13.583 1.00 0.00 C ATOM 514 C ASP A 33 17.959 -10.216 15.079 1.00 0.00 C ATOM 515 O ASP A 33 18.993 -10.668 15.583 1.00 0.00 O ATOM 516 CB ASP A 33 19.035 -10.372 12.825 1.00 0.00 C ATOM 517 CG ASP A 33 18.898 -10.695 11.351 1.00 0.00 C ATOM 518 OD1 ASP A 33 18.839 -11.894 10.999 1.00 0.00 O ATOM 519 OD2 ASP A 33 18.861 -9.754 10.530 1.00 0.00 O ATOM 0 H ASP A 33 15.929 -9.601 12.702 1.00 0.00 H new ATOM 0 HA ASP A 33 17.164 -11.297 13.407 1.00 0.00 H new ATOM 0 HB2 ASP A 33 19.513 -9.398 12.932 1.00 0.00 H new ATOM 0 HB3 ASP A 33 19.696 -11.104 13.289 1.00 0.00 H new ATOM 524 N ALA A 34 17.041 -9.594 15.786 1.00 0.00 N ATOM 525 CA ALA A 34 17.203 -9.404 17.213 1.00 0.00 C ATOM 526 C ALA A 34 16.133 -10.125 18.021 1.00 0.00 C ATOM 527 O ALA A 34 14.980 -9.724 18.025 1.00 0.00 O ATOM 528 CB ALA A 34 17.217 -7.922 17.546 1.00 0.00 C ATOM 0 H ALA A 34 16.178 -9.212 15.399 1.00 0.00 H new ATOM 0 HA ALA A 34 18.160 -9.845 17.492 1.00 0.00 H new ATOM 0 HB1 ALA A 34 17.339 -7.792 18.621 1.00 0.00 H new ATOM 0 HB2 ALA A 34 18.045 -7.440 17.026 1.00 0.00 H new ATOM 0 HB3 ALA A 34 16.277 -7.469 17.230 1.00 0.00 H new ATOM 534 N TYR A 35 16.531 -11.220 18.669 1.00 0.00 N ATOM 535 CA TYR A 35 15.653 -11.982 19.593 1.00 0.00 C ATOM 536 C TYR A 35 14.960 -11.085 20.646 1.00 0.00 C ATOM 537 O TYR A 35 13.974 -11.487 21.257 1.00 0.00 O ATOM 538 CB TYR A 35 16.468 -13.069 20.313 1.00 0.00 C ATOM 539 CG TYR A 35 17.467 -12.535 21.333 1.00 0.00 C ATOM 540 CD1 TYR A 35 18.708 -12.051 20.940 1.00 0.00 C ATOM 541 CD2 TYR A 35 17.160 -12.518 22.690 1.00 0.00 C ATOM 542 CE1 TYR A 35 19.612 -11.565 21.868 1.00 0.00 C ATOM 543 CE2 TYR A 35 18.059 -12.034 23.621 1.00 0.00 C ATOM 544 CZ TYR A 35 19.281 -11.561 23.205 1.00 0.00 C ATOM 545 OH TYR A 35 20.181 -11.080 24.131 1.00 0.00 O ATOM 0 H TYR A 35 17.468 -11.613 18.577 1.00 0.00 H new ATOM 0 HA TYR A 35 14.870 -12.431 18.981 1.00 0.00 H new ATOM 0 HB2 TYR A 35 15.780 -13.748 20.817 1.00 0.00 H new ATOM 0 HB3 TYR A 35 17.006 -13.656 19.568 1.00 0.00 H new ATOM 0 HD1 TYR A 35 18.972 -12.054 19.893 1.00 0.00 H new ATOM 0 HD2 TYR A 35 16.202 -12.890 23.022 1.00 0.00 H new ATOM 0 HE1 TYR A 35 20.572 -11.191 21.546 1.00 0.00 H new ATOM 0 HE2 TYR A 35 17.803 -12.027 24.670 1.00 0.00 H new ATOM 0 HH TYR A 35 19.794 -11.146 25.029 1.00 0.00 H new ATOM 555 N THR A 36 15.471 -9.885 20.828 1.00 0.00 N ATOM 556 CA THR A 36 14.909 -8.963 21.800 1.00 0.00 C ATOM 557 C THR A 36 13.866 -8.051 21.126 1.00 0.00 C ATOM 558 O THR A 36 13.191 -7.257 21.776 1.00 0.00 O ATOM 559 CB THR A 36 16.014 -8.119 22.496 1.00 0.00 C ATOM 560 OG1 THR A 36 15.442 -7.279 23.507 1.00 0.00 O ATOM 561 CG2 THR A 36 16.768 -7.265 21.491 1.00 0.00 C ATOM 0 H THR A 36 16.275 -9.523 20.316 1.00 0.00 H new ATOM 0 HA THR A 36 14.415 -9.550 22.574 1.00 0.00 H new ATOM 0 HB THR A 36 16.716 -8.812 22.959 1.00 0.00 H new ATOM 0 HG1 THR A 36 14.492 -7.137 23.315 1.00 0.00 H new ATOM 0 HG21 THR A 36 17.534 -6.686 22.007 1.00 0.00 H new ATOM 0 HG22 THR A 36 17.239 -7.908 20.748 1.00 0.00 H new ATOM 0 HG23 THR A 36 16.073 -6.587 20.996 1.00 0.00 H new ATOM 569 N ARG A 37 13.728 -8.202 19.822 1.00 0.00 N ATOM 570 CA ARG A 37 12.791 -7.420 19.040 1.00 0.00 C ATOM 571 C ARG A 37 11.671 -8.301 18.497 1.00 0.00 C ATOM 572 O ARG A 37 11.919 -9.374 17.948 1.00 0.00 O ATOM 573 CB ARG A 37 13.520 -6.725 17.873 1.00 0.00 C ATOM 574 CG ARG A 37 12.587 -6.066 16.860 1.00 0.00 C ATOM 575 CD ARG A 37 11.866 -4.865 17.445 1.00 0.00 C ATOM 576 NE ARG A 37 10.821 -4.364 16.542 1.00 0.00 N ATOM 577 CZ ARG A 37 10.963 -3.334 15.697 1.00 0.00 C ATOM 578 NH1 ARG A 37 12.127 -2.698 15.590 1.00 0.00 N ATOM 579 NH2 ARG A 37 9.936 -2.946 14.953 1.00 0.00 N ATOM 0 H ARG A 37 14.265 -8.874 19.274 1.00 0.00 H new ATOM 0 HA ARG A 37 12.354 -6.663 19.691 1.00 0.00 H new ATOM 0 HB2 ARG A 37 14.192 -5.968 18.278 1.00 0.00 H new ATOM 0 HB3 ARG A 37 14.139 -7.459 17.357 1.00 0.00 H new ATOM 0 HG2 ARG A 37 13.162 -5.754 15.988 1.00 0.00 H new ATOM 0 HG3 ARG A 37 11.854 -6.795 16.515 1.00 0.00 H new ATOM 0 HD2 ARG A 37 11.420 -5.139 18.401 1.00 0.00 H new ATOM 0 HD3 ARG A 37 12.585 -4.071 17.645 1.00 0.00 H new ATOM 0 HE ARG A 37 9.917 -4.837 16.560 1.00 0.00 H new ATOM 0 HH11 ARG A 37 12.923 -2.993 16.155 1.00 0.00 H new ATOM 0 HH12 ARG A 37 12.223 -1.915 14.943 1.00 0.00 H new ATOM 0 HH21 ARG A 37 9.042 -3.431 15.025 1.00 0.00 H new ATOM 0 HH22 ARG A 37 10.040 -2.162 14.309 1.00 0.00 H new ATOM 593 N LYS A 38 10.445 -7.852 18.678 1.00 0.00 N ATOM 594 CA LYS A 38 9.295 -8.543 18.139 1.00 0.00 C ATOM 595 C LYS A 38 8.744 -7.762 16.947 1.00 0.00 C ATOM 596 O LYS A 38 8.300 -6.622 17.092 1.00 0.00 O ATOM 597 CB LYS A 38 8.225 -8.749 19.228 1.00 0.00 C ATOM 598 CG LYS A 38 7.774 -7.471 19.930 1.00 0.00 C ATOM 599 CD LYS A 38 6.663 -7.747 20.934 1.00 0.00 C ATOM 600 CE LYS A 38 7.152 -8.616 22.085 1.00 0.00 C ATOM 601 NZ LYS A 38 6.081 -8.882 23.069 1.00 0.00 N ATOM 0 H LYS A 38 10.221 -7.004 19.199 1.00 0.00 H new ATOM 0 HA LYS A 38 9.595 -9.532 17.793 1.00 0.00 H new ATOM 0 HB2 LYS A 38 7.355 -9.226 18.777 1.00 0.00 H new ATOM 0 HB3 LYS A 38 8.615 -9.439 19.976 1.00 0.00 H new ATOM 0 HG2 LYS A 38 8.623 -7.017 20.441 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.426 -6.751 19.189 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.283 -6.803 21.326 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.832 -8.242 20.431 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.527 -9.561 21.692 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.988 -8.123 22.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.454 -9.476 23.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.740 -7.982 23.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.294 -9.375 22.601 1.00 0.00 H new ATOM 615 N ASP A 39 8.807 -8.364 15.773 1.00 0.00 N ATOM 616 CA ASP A 39 8.381 -7.701 14.540 1.00 0.00 C ATOM 617 C ASP A 39 7.920 -8.723 13.500 1.00 0.00 C ATOM 618 O ASP A 39 8.010 -9.937 13.726 1.00 0.00 O ATOM 619 CB ASP A 39 9.534 -6.864 13.967 1.00 0.00 C ATOM 620 CG ASP A 39 10.752 -7.707 13.637 1.00 0.00 C ATOM 621 OD1 ASP A 39 11.596 -7.925 14.537 1.00 0.00 O ATOM 622 OD2 ASP A 39 10.860 -8.174 12.500 1.00 0.00 O ATOM 0 H ASP A 39 9.150 -9.315 15.641 1.00 0.00 H new ATOM 0 HA ASP A 39 7.542 -7.048 14.779 1.00 0.00 H new ATOM 0 HB2 ASP A 39 9.195 -6.352 13.066 1.00 0.00 H new ATOM 0 HB3 ASP A 39 9.813 -6.094 14.686 1.00 0.00 H new ATOM 627 N CYS A 40 7.425 -8.227 12.367 1.00 0.00 N ATOM 628 CA CYS A 40 6.957 -9.087 11.288 1.00 0.00 C ATOM 629 C CYS A 40 6.965 -8.337 9.943 1.00 0.00 C ATOM 630 O CYS A 40 7.960 -8.348 9.232 1.00 0.00 O ATOM 631 CB CYS A 40 5.556 -9.637 11.603 1.00 0.00 C ATOM 632 SG CYS A 40 4.948 -10.867 10.426 1.00 0.00 S ATOM 0 H CYS A 40 7.339 -7.229 12.175 1.00 0.00 H new ATOM 0 HA CYS A 40 7.642 -9.930 11.204 1.00 0.00 H new ATOM 0 HB2 CYS A 40 5.570 -10.081 12.598 1.00 0.00 H new ATOM 0 HB3 CYS A 40 4.852 -8.805 11.635 1.00 0.00 H new ATOM 0 HG CYS A 40 3.764 -11.264 10.786 1.00 0.00 H new ATOM 638 N ILE A 41 5.854 -7.683 9.610 1.00 0.00 N ATOM 639 CA ILE A 41 5.751 -6.925 8.363 1.00 0.00 C ATOM 640 C ILE A 41 5.336 -5.487 8.662 1.00 0.00 C ATOM 641 O ILE A 41 4.225 -5.252 9.110 1.00 0.00 O ATOM 642 CB ILE A 41 4.676 -7.542 7.412 1.00 0.00 C ATOM 643 CG1 ILE A 41 5.027 -8.984 7.009 1.00 0.00 C ATOM 644 CG2 ILE A 41 4.502 -6.672 6.166 1.00 0.00 C ATOM 645 CD1 ILE A 41 6.178 -9.096 6.029 1.00 0.00 C ATOM 0 H ILE A 41 5.012 -7.662 10.186 1.00 0.00 H new ATOM 0 HA ILE A 41 6.728 -6.957 7.880 1.00 0.00 H new ATOM 0 HB ILE A 41 3.735 -7.573 7.961 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.274 -9.550 7.907 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.145 -9.451 6.570 1.00 0.00 H new ATOM 0 HG21 ILE A 41 3.750 -7.116 5.514 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.182 -5.673 6.462 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.450 -6.606 5.633 1.00 0.00 H new ATOM 0 HD11 ILE A 41 6.359 -10.146 5.799 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.929 -8.561 5.113 1.00 0.00 H new ATOM 0 HD13 ILE A 41 7.075 -8.662 6.470 1.00 0.00 H new ATOM 657 N ARG A 42 6.221 -4.535 8.454 1.00 0.00 N ATOM 658 CA ARG A 42 5.846 -3.134 8.633 1.00 0.00 C ATOM 659 C ARG A 42 5.785 -2.457 7.275 1.00 0.00 C ATOM 660 O ARG A 42 6.744 -2.517 6.520 1.00 0.00 O ATOM 661 CB ARG A 42 6.853 -2.406 9.519 1.00 0.00 C ATOM 662 CG ARG A 42 7.045 -3.033 10.890 1.00 0.00 C ATOM 663 CD ARG A 42 7.997 -2.213 11.739 1.00 0.00 C ATOM 664 NE ARG A 42 7.342 -1.030 12.301 1.00 0.00 N ATOM 665 CZ ARG A 42 7.663 0.239 12.021 1.00 0.00 C ATOM 666 NH1 ARG A 42 8.570 0.526 11.090 1.00 0.00 N ATOM 667 NH2 ARG A 42 7.048 1.225 12.656 1.00 0.00 N ATOM 0 H ARG A 42 7.187 -4.692 8.167 1.00 0.00 H new ATOM 0 HA ARG A 42 4.871 -3.094 9.118 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.815 -2.376 9.008 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.528 -1.373 9.646 1.00 0.00 H new ATOM 0 HG2 ARG A 42 6.082 -3.114 11.394 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.433 -4.046 10.779 1.00 0.00 H new ATOM 0 HD2 ARG A 42 8.387 -2.831 12.548 1.00 0.00 H new ATOM 0 HD3 ARG A 42 8.849 -1.904 11.134 1.00 0.00 H new ATOM 0 HE ARG A 42 6.579 -1.186 12.960 1.00 0.00 H new ATOM 0 HH11 ARG A 42 9.031 -0.226 10.578 1.00 0.00 H new ATOM 0 HH12 ARG A 42 8.804 1.498 10.888 1.00 0.00 H new ATOM 0 HH21 ARG A 42 6.334 1.015 13.354 1.00 0.00 H new ATOM 0 HH22 ARG A 42 7.288 2.194 12.447 1.00 0.00 H new ATOM 681 N LEU A 43 4.669 -1.820 6.961 1.00 0.00 N ATOM 682 CA LEU A 43 4.523 -1.165 5.668 1.00 0.00 C ATOM 683 C LEU A 43 4.649 0.354 5.832 1.00 0.00 C ATOM 684 O LEU A 43 3.798 0.996 6.453 1.00 0.00 O ATOM 685 CB LEU A 43 3.162 -1.540 5.042 1.00 0.00 C ATOM 686 CG LEU A 43 2.952 -1.139 3.580 1.00 0.00 C ATOM 687 CD1 LEU A 43 3.958 -1.852 2.695 1.00 0.00 C ATOM 688 CD2 LEU A 43 1.532 -1.471 3.143 1.00 0.00 C ATOM 0 H LEU A 43 3.858 -1.742 7.575 1.00 0.00 H new ATOM 0 HA LEU A 43 5.315 -1.503 5.000 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.035 -2.620 5.122 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.373 -1.081 5.639 1.00 0.00 H new ATOM 0 HG LEU A 43 3.102 -0.064 3.484 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.800 -1.560 1.657 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.968 -1.579 2.999 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.829 -2.930 2.792 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.395 -1.181 2.101 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.360 -2.542 3.247 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.823 -0.928 3.767 1.00 0.00 H new ATOM 700 N ARG A 44 5.728 0.909 5.303 1.00 0.00 N ATOM 701 CA ARG A 44 5.995 2.343 5.398 1.00 0.00 C ATOM 702 C ARG A 44 5.822 3.049 4.056 1.00 0.00 C ATOM 703 O ARG A 44 6.428 2.664 3.057 1.00 0.00 O ATOM 704 CB ARG A 44 7.426 2.559 5.893 1.00 0.00 C ATOM 705 CG ARG A 44 7.857 4.021 5.981 1.00 0.00 C ATOM 706 CD ARG A 44 9.331 4.130 6.355 1.00 0.00 C ATOM 707 NE ARG A 44 9.589 3.673 7.720 1.00 0.00 N ATOM 708 CZ ARG A 44 10.259 2.561 8.033 1.00 0.00 C ATOM 709 NH1 ARG A 44 10.680 1.737 7.081 1.00 0.00 N ATOM 710 NH2 ARG A 44 10.504 2.272 9.298 1.00 0.00 N ATOM 0 H ARG A 44 6.442 0.385 4.797 1.00 0.00 H new ATOM 0 HA ARG A 44 5.275 2.768 6.097 1.00 0.00 H new ATOM 0 HB2 ARG A 44 7.527 2.105 6.879 1.00 0.00 H new ATOM 0 HB3 ARG A 44 8.110 2.032 5.227 1.00 0.00 H new ATOM 0 HG2 ARG A 44 7.682 4.514 5.025 1.00 0.00 H new ATOM 0 HG3 ARG A 44 7.250 4.540 6.723 1.00 0.00 H new ATOM 0 HD2 ARG A 44 9.926 3.540 5.658 1.00 0.00 H new ATOM 0 HD3 ARG A 44 9.654 5.166 6.253 1.00 0.00 H new ATOM 0 HE ARG A 44 9.232 4.243 8.487 1.00 0.00 H new ATOM 0 HH11 ARG A 44 10.492 1.951 6.102 1.00 0.00 H new ATOM 0 HH12 ARG A 44 11.191 0.890 7.329 1.00 0.00 H new ATOM 0 HH21 ARG A 44 10.181 2.898 10.036 1.00 0.00 H new ATOM 0 HH22 ARG A 44 11.016 1.423 9.537 1.00 0.00 H new ATOM 724 N ILE A 45 4.989 4.071 4.037 1.00 0.00 N ATOM 725 CA ILE A 45 4.823 4.894 2.853 1.00 0.00 C ATOM 726 C ILE A 45 5.414 6.277 3.123 1.00 0.00 C ATOM 727 O ILE A 45 5.058 6.931 4.113 1.00 0.00 O ATOM 728 CB ILE A 45 3.327 5.046 2.466 1.00 0.00 C ATOM 729 CG1 ILE A 45 2.676 3.673 2.257 1.00 0.00 C ATOM 730 CG2 ILE A 45 3.184 5.894 1.204 1.00 0.00 C ATOM 731 CD1 ILE A 45 3.297 2.861 1.142 1.00 0.00 C ATOM 0 H ILE A 45 4.414 4.353 4.831 1.00 0.00 H new ATOM 0 HA ILE A 45 5.338 4.408 2.025 1.00 0.00 H new ATOM 0 HB ILE A 45 2.815 5.549 3.286 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.742 3.106 3.186 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.616 3.813 2.044 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.129 5.990 0.948 1.00 0.00 H new ATOM 0 HG22 ILE A 45 3.606 6.883 1.381 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.715 5.415 0.382 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.781 1.904 1.058 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.208 3.406 0.202 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.350 2.687 1.362 1.00 0.00 H new ATOM 743 N GLU A 46 6.304 6.723 2.264 1.00 0.00 N ATOM 744 CA GLU A 46 6.943 8.012 2.432 1.00 0.00 C ATOM 745 C GLU A 46 7.111 8.698 1.085 1.00 0.00 C ATOM 746 O GLU A 46 6.688 8.163 0.057 1.00 0.00 O ATOM 747 CB GLU A 46 8.286 7.872 3.182 1.00 0.00 C ATOM 748 CG GLU A 46 9.161 6.710 2.726 1.00 0.00 C ATOM 749 CD GLU A 46 9.739 6.909 1.347 1.00 0.00 C ATOM 750 OE1 GLU A 46 10.711 7.674 1.212 1.00 0.00 O ATOM 751 OE2 GLU A 46 9.226 6.300 0.388 1.00 0.00 O ATOM 0 H GLU A 46 6.604 6.209 1.436 1.00 0.00 H new ATOM 0 HA GLU A 46 6.301 8.643 3.047 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.848 8.798 3.065 1.00 0.00 H new ATOM 0 HB3 GLU A 46 8.080 7.756 4.246 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.975 6.575 3.438 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.572 5.793 2.737 1.00 0.00 H new ATOM 758 N ASP A 47 7.710 9.870 1.083 1.00 0.00 N ATOM 759 CA ASP A 47 7.860 10.634 -0.142 1.00 0.00 C ATOM 760 C ASP A 47 9.316 10.982 -0.428 1.00 0.00 C ATOM 761 O ASP A 47 10.120 11.149 0.482 1.00 0.00 O ATOM 762 CB ASP A 47 7.013 11.892 -0.072 1.00 0.00 C ATOM 763 CG ASP A 47 7.118 12.738 -1.316 1.00 0.00 C ATOM 764 OD1 ASP A 47 6.913 12.203 -2.429 1.00 0.00 O ATOM 765 OD2 ASP A 47 7.427 13.931 -1.187 1.00 0.00 O ATOM 0 H ASP A 47 8.101 10.316 1.913 1.00 0.00 H new ATOM 0 HA ASP A 47 7.515 10.011 -0.967 1.00 0.00 H new ATOM 0 HB2 ASP A 47 5.971 11.614 0.086 1.00 0.00 H new ATOM 0 HB3 ASP A 47 7.320 12.483 0.791 1.00 0.00 H new ATOM 770 N ARG A 48 9.632 11.104 -1.705 1.00 0.00 N ATOM 771 CA ARG A 48 10.991 11.404 -2.158 1.00 0.00 C ATOM 772 C ARG A 48 11.199 12.903 -2.375 1.00 0.00 C ATOM 773 O ARG A 48 12.212 13.323 -2.927 1.00 0.00 O ATOM 774 CB ARG A 48 11.359 10.617 -3.439 1.00 0.00 C ATOM 775 CG ARG A 48 10.625 11.037 -4.716 1.00 0.00 C ATOM 776 CD ARG A 48 9.146 10.717 -4.662 1.00 0.00 C ATOM 777 NE ARG A 48 8.477 11.015 -5.919 1.00 0.00 N ATOM 778 CZ ARG A 48 7.160 11.104 -6.059 1.00 0.00 C ATOM 779 NH1 ARG A 48 6.367 11.076 -4.991 1.00 0.00 N ATOM 780 NH2 ARG A 48 6.634 11.267 -7.262 1.00 0.00 N ATOM 0 H ARG A 48 8.957 10.999 -2.463 1.00 0.00 H new ATOM 0 HA ARG A 48 11.661 11.082 -1.361 1.00 0.00 H new ATOM 0 HB2 ARG A 48 12.431 10.718 -3.609 1.00 0.00 H new ATOM 0 HB3 ARG A 48 11.163 9.560 -3.261 1.00 0.00 H new ATOM 0 HG2 ARG A 48 10.757 12.108 -4.873 1.00 0.00 H new ATOM 0 HG3 ARG A 48 11.072 10.532 -5.572 1.00 0.00 H new ATOM 0 HD2 ARG A 48 9.012 9.662 -4.421 1.00 0.00 H new ATOM 0 HD3 ARG A 48 8.681 11.289 -3.859 1.00 0.00 H new ATOM 0 HE ARG A 48 9.057 11.165 -6.745 1.00 0.00 H new ATOM 0 HH11 ARG A 48 6.770 10.986 -4.059 1.00 0.00 H new ATOM 0 HH12 ARG A 48 5.356 11.145 -5.105 1.00 0.00 H new ATOM 0 HH21 ARG A 48 7.240 11.324 -8.080 1.00 0.00 H new ATOM 0 HH22 ARG A 48 5.622 11.336 -7.371 1.00 0.00 H new ATOM 794 N SER A 49 10.259 13.704 -1.916 1.00 0.00 N ATOM 795 CA SER A 49 10.345 15.143 -2.061 1.00 0.00 C ATOM 796 C SER A 49 10.389 15.766 -0.667 1.00 0.00 C ATOM 797 O SER A 49 10.107 16.946 -0.481 1.00 0.00 O ATOM 798 CB SER A 49 9.150 15.680 -2.873 1.00 0.00 C ATOM 799 OG SER A 49 9.291 17.068 -3.168 1.00 0.00 O ATOM 0 H SER A 49 9.420 13.379 -1.435 1.00 0.00 H new ATOM 0 HA SER A 49 11.250 15.409 -2.607 1.00 0.00 H new ATOM 0 HB2 SER A 49 9.060 15.118 -3.803 1.00 0.00 H new ATOM 0 HB3 SER A 49 8.229 15.519 -2.313 1.00 0.00 H new ATOM 0 HG SER A 49 9.691 17.527 -2.400 1.00 0.00 H new ATOM 805 N GLY A 50 10.764 14.942 0.307 1.00 0.00 N ATOM 806 CA GLY A 50 10.853 15.394 1.675 1.00 0.00 C ATOM 807 C GLY A 50 9.510 15.474 2.362 1.00 0.00 C ATOM 808 O GLY A 50 9.111 16.542 2.829 1.00 0.00 O ATOM 0 H GLY A 50 11.009 13.962 0.166 1.00 0.00 H new ATOM 0 HA2 GLY A 50 11.500 14.718 2.233 1.00 0.00 H new ATOM 0 HA3 GLY A 50 11.324 16.377 1.697 1.00 0.00 H new ATOM 812 N ASN A 51 8.803 14.348 2.432 1.00 0.00 N ATOM 813 CA ASN A 51 7.500 14.301 3.094 1.00 0.00 C ATOM 814 C ASN A 51 7.274 12.936 3.727 1.00 0.00 C ATOM 815 O ASN A 51 7.844 11.933 3.291 1.00 0.00 O ATOM 816 CB ASN A 51 6.334 14.624 2.129 1.00 0.00 C ATOM 817 CG ASN A 51 6.374 16.036 1.574 1.00 0.00 C ATOM 818 OD1 ASN A 51 5.972 16.988 2.248 1.00 0.00 O ATOM 819 ND2 ASN A 51 6.820 16.178 0.340 1.00 0.00 N ATOM 0 H ASN A 51 9.109 13.458 2.040 1.00 0.00 H new ATOM 0 HA ASN A 51 7.513 15.069 3.867 1.00 0.00 H new ATOM 0 HB2 ASN A 51 6.354 13.917 1.300 1.00 0.00 H new ATOM 0 HB3 ASN A 51 5.389 14.475 2.652 1.00 0.00 H new ATOM 0 HD21 ASN A 51 6.841 17.102 -0.091 1.00 0.00 H new ATOM 0 HD22 ASN A 51 7.143 15.364 -0.182 1.00 0.00 H new ATOM 826 N LEU A 52 6.439 12.908 4.746 1.00 0.00 N ATOM 827 CA LEU A 52 6.102 11.676 5.445 1.00 0.00 C ATOM 828 C LEU A 52 4.639 11.349 5.184 1.00 0.00 C ATOM 829 O LEU A 52 3.768 12.192 5.395 1.00 0.00 O ATOM 830 CB LEU A 52 6.359 11.839 6.950 1.00 0.00 C ATOM 831 CG LEU A 52 7.803 12.193 7.338 1.00 0.00 C ATOM 832 CD1 LEU A 52 7.919 12.411 8.837 1.00 0.00 C ATOM 833 CD2 LEU A 52 8.767 11.103 6.885 1.00 0.00 C ATOM 0 H LEU A 52 5.973 13.736 5.116 1.00 0.00 H new ATOM 0 HA LEU A 52 6.725 10.859 5.081 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.697 12.616 7.332 1.00 0.00 H new ATOM 0 HB3 LEU A 52 6.083 10.911 7.451 1.00 0.00 H new ATOM 0 HG LEU A 52 8.070 13.121 6.832 1.00 0.00 H new ATOM 0 HD11 LEU A 52 8.950 12.660 9.090 1.00 0.00 H new ATOM 0 HD12 LEU A 52 7.264 13.228 9.138 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.627 11.501 9.361 1.00 0.00 H new ATOM 0 HD21 LEU A 52 9.783 11.375 7.170 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.497 10.159 7.358 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.711 10.995 5.802 1.00 0.00 H new ATOM 845 N ILE A 53 4.361 10.136 4.726 1.00 0.00 N ATOM 846 CA ILE A 53 2.996 9.798 4.342 1.00 0.00 C ATOM 847 C ILE A 53 2.273 8.954 5.394 1.00 0.00 C ATOM 848 O ILE A 53 1.276 9.403 5.962 1.00 0.00 O ATOM 849 CB ILE A 53 2.942 9.081 2.970 1.00 0.00 C ATOM 850 CG1 ILE A 53 3.637 9.929 1.887 1.00 0.00 C ATOM 851 CG2 ILE A 53 1.495 8.791 2.574 1.00 0.00 C ATOM 852 CD1 ILE A 53 3.018 11.301 1.676 1.00 0.00 C ATOM 0 H ILE A 53 5.043 9.386 4.613 1.00 0.00 H new ATOM 0 HA ILE A 53 2.473 10.751 4.263 1.00 0.00 H new ATOM 0 HB ILE A 53 3.473 8.133 3.058 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.686 10.054 2.157 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.613 9.383 0.944 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.476 8.287 1.608 1.00 0.00 H new ATOM 0 HG22 ILE A 53 1.033 8.151 3.326 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.942 9.728 2.506 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.566 11.832 0.898 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.977 11.188 1.373 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.066 11.869 2.605 1.00 0.00 H new ATOM 864 N ASP A 54 2.780 7.747 5.675 1.00 0.00 N ATOM 865 CA ASP A 54 2.097 6.858 6.625 1.00 0.00 C ATOM 866 C ASP A 54 2.997 5.693 7.060 1.00 0.00 C ATOM 867 O ASP A 54 4.054 5.451 6.469 1.00 0.00 O ATOM 868 CB ASP A 54 0.800 6.314 6.005 1.00 0.00 C ATOM 869 CG ASP A 54 -0.280 6.061 7.037 1.00 0.00 C ATOM 870 OD1 ASP A 54 -0.087 5.203 7.916 1.00 0.00 O ATOM 871 OD2 ASP A 54 -1.332 6.725 6.975 1.00 0.00 O ATOM 0 H ASP A 54 3.637 7.370 5.271 1.00 0.00 H new ATOM 0 HA ASP A 54 1.857 7.445 7.511 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.430 7.024 5.265 1.00 0.00 H new ATOM 0 HB3 ASP A 54 1.016 5.386 5.476 1.00 0.00 H new ATOM 876 N THR A 55 2.569 4.982 8.095 1.00 0.00 N ATOM 877 CA THR A 55 3.301 3.845 8.641 1.00 0.00 C ATOM 878 C THR A 55 2.314 2.855 9.289 1.00 0.00 C ATOM 879 O THR A 55 1.329 3.274 9.901 1.00 0.00 O ATOM 880 CB THR A 55 4.345 4.305 9.686 1.00 0.00 C ATOM 881 OG1 THR A 55 5.203 5.299 9.101 1.00 0.00 O ATOM 882 CG2 THR A 55 5.195 3.133 10.163 1.00 0.00 C ATOM 0 H THR A 55 1.696 5.180 8.584 1.00 0.00 H new ATOM 0 HA THR A 55 3.830 3.353 7.825 1.00 0.00 H new ATOM 0 HB THR A 55 3.812 4.721 10.541 1.00 0.00 H new ATOM 0 HG1 THR A 55 5.863 5.592 9.763 1.00 0.00 H new ATOM 0 HG21 THR A 55 5.920 3.484 10.897 1.00 0.00 H new ATOM 0 HG22 THR A 55 4.553 2.380 10.620 1.00 0.00 H new ATOM 0 HG23 THR A 55 5.720 2.695 9.314 1.00 0.00 H new ATOM 890 N SER A 56 2.567 1.557 9.147 1.00 0.00 N ATOM 891 CA SER A 56 1.690 0.537 9.722 1.00 0.00 C ATOM 892 C SER A 56 2.467 -0.743 10.048 1.00 0.00 C ATOM 893 O SER A 56 3.467 -1.051 9.399 1.00 0.00 O ATOM 894 CB SER A 56 0.532 0.224 8.766 1.00 0.00 C ATOM 895 OG SER A 56 -0.257 1.380 8.529 1.00 0.00 O ATOM 0 H SER A 56 3.370 1.185 8.640 1.00 0.00 H new ATOM 0 HA SER A 56 1.283 0.933 10.652 1.00 0.00 H new ATOM 0 HB2 SER A 56 0.926 -0.152 7.822 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.090 -0.565 9.188 1.00 0.00 H new ATOM 0 HG SER A 56 -0.378 1.501 7.564 1.00 0.00 H new ATOM 901 N THR A 57 2.007 -1.475 11.054 1.00 0.00 N ATOM 902 CA THR A 57 2.634 -2.733 11.435 1.00 0.00 C ATOM 903 C THR A 57 1.621 -3.876 11.318 1.00 0.00 C ATOM 904 O THR A 57 0.545 -3.829 11.915 1.00 0.00 O ATOM 905 CB THR A 57 3.191 -2.670 12.876 1.00 0.00 C ATOM 906 OG1 THR A 57 4.156 -1.610 12.971 1.00 0.00 O ATOM 907 CG2 THR A 57 3.855 -3.987 13.264 1.00 0.00 C ATOM 0 H THR A 57 1.200 -1.218 11.622 1.00 0.00 H new ATOM 0 HA THR A 57 3.469 -2.914 10.757 1.00 0.00 H new ATOM 0 HB THR A 57 2.360 -2.485 13.556 1.00 0.00 H new ATOM 0 HG1 THR A 57 4.508 -1.569 13.885 1.00 0.00 H new ATOM 0 HG21 THR A 57 4.238 -3.915 14.282 1.00 0.00 H new ATOM 0 HG22 THR A 57 3.124 -4.794 13.207 1.00 0.00 H new ATOM 0 HG23 THR A 57 4.678 -4.195 12.580 1.00 0.00 H new ATOM 915 N PHE A 58 1.969 -4.889 10.544 1.00 0.00 N ATOM 916 CA PHE A 58 1.078 -6.005 10.304 1.00 0.00 C ATOM 917 C PHE A 58 1.586 -7.303 10.931 1.00 0.00 C ATOM 918 O PHE A 58 2.684 -7.777 10.621 1.00 0.00 O ATOM 919 CB PHE A 58 0.866 -6.205 8.798 1.00 0.00 C ATOM 920 CG PHE A 58 0.061 -5.119 8.139 1.00 0.00 C ATOM 921 CD1 PHE A 58 -1.325 -5.177 8.130 1.00 0.00 C ATOM 922 CD2 PHE A 58 0.686 -4.043 7.527 1.00 0.00 C ATOM 923 CE1 PHE A 58 -2.070 -4.183 7.524 1.00 0.00 C ATOM 924 CE2 PHE A 58 -0.056 -3.048 6.918 1.00 0.00 C ATOM 925 CZ PHE A 58 -1.435 -3.118 6.916 1.00 0.00 C ATOM 0 H PHE A 58 2.869 -4.959 10.069 1.00 0.00 H new ATOM 0 HA PHE A 58 0.129 -5.760 10.780 1.00 0.00 H new ATOM 0 HB2 PHE A 58 1.839 -6.267 8.311 1.00 0.00 H new ATOM 0 HB3 PHE A 58 0.367 -7.161 8.636 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -1.828 -6.008 8.602 1.00 0.00 H new ATOM 0 HD2 PHE A 58 1.764 -3.982 7.526 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -3.149 -4.239 7.526 1.00 0.00 H new ATOM 0 HE2 PHE A 58 0.443 -2.216 6.444 1.00 0.00 H new ATOM 0 HZ PHE A 58 -2.016 -2.342 6.440 1.00 0.00 H new ATOM 935 N TYR A 59 0.787 -7.844 11.831 1.00 0.00 N ATOM 936 CA TYR A 59 1.018 -9.151 12.427 1.00 0.00 C ATOM 937 C TYR A 59 -0.328 -9.698 12.871 1.00 0.00 C ATOM 938 O TYR A 59 -1.098 -8.991 13.525 1.00 0.00 O ATOM 939 CB TYR A 59 2.033 -9.094 13.599 1.00 0.00 C ATOM 940 CG TYR A 59 1.582 -8.323 14.827 1.00 0.00 C ATOM 941 CD1 TYR A 59 1.704 -6.941 14.893 1.00 0.00 C ATOM 942 CD2 TYR A 59 1.050 -8.987 15.929 1.00 0.00 C ATOM 943 CE1 TYR A 59 1.307 -6.243 16.017 1.00 0.00 C ATOM 944 CE2 TYR A 59 0.653 -8.296 17.056 1.00 0.00 C ATOM 945 CZ TYR A 59 0.784 -6.927 17.096 1.00 0.00 C ATOM 946 OH TYR A 59 0.393 -6.235 18.222 1.00 0.00 O ATOM 0 H TYR A 59 -0.055 -7.382 12.176 1.00 0.00 H new ATOM 0 HA TYR A 59 1.469 -9.815 11.690 1.00 0.00 H new ATOM 0 HB2 TYR A 59 2.269 -10.115 13.900 1.00 0.00 H new ATOM 0 HB3 TYR A 59 2.958 -8.648 13.233 1.00 0.00 H new ATOM 0 HD1 TYR A 59 2.116 -6.403 14.052 1.00 0.00 H new ATOM 0 HD2 TYR A 59 0.946 -10.062 15.902 1.00 0.00 H new ATOM 0 HE1 TYR A 59 1.405 -5.168 16.051 1.00 0.00 H new ATOM 0 HE2 TYR A 59 0.242 -8.827 17.902 1.00 0.00 H new ATOM 0 HH TYR A 59 0.046 -6.864 18.889 1.00 0.00 H new ATOM 956 N HIS A 60 -0.638 -10.927 12.490 1.00 0.00 N ATOM 957 CA HIS A 60 -1.964 -11.468 12.760 1.00 0.00 C ATOM 958 C HIS A 60 -2.011 -12.966 12.419 1.00 0.00 C ATOM 959 O HIS A 60 -0.979 -13.603 12.209 1.00 0.00 O ATOM 960 CB HIS A 60 -2.987 -10.690 11.878 1.00 0.00 C ATOM 961 CG HIS A 60 -4.427 -10.788 12.302 1.00 0.00 C ATOM 962 ND1 HIS A 60 -5.367 -11.546 11.626 1.00 0.00 N ATOM 963 CD2 HIS A 60 -5.090 -10.199 13.317 1.00 0.00 C ATOM 964 CE1 HIS A 60 -6.541 -11.413 12.214 1.00 0.00 C ATOM 965 NE2 HIS A 60 -6.399 -10.605 13.241 1.00 0.00 N ATOM 0 H HIS A 60 -0.004 -11.560 12.002 1.00 0.00 H new ATOM 0 HA HIS A 60 -2.206 -11.355 13.817 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -2.702 -9.638 11.867 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -2.904 -11.053 10.854 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -4.669 -9.531 14.054 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -7.461 -11.887 11.904 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -7.143 -10.324 13.880 1.00 0.00 H new ATOM 973 N HIS A 61 -3.223 -13.496 12.368 1.00 0.00 N ATOM 974 CA HIS A 61 -3.505 -14.865 11.962 1.00 0.00 C ATOM 975 C HIS A 61 -3.043 -15.089 10.521 1.00 0.00 C ATOM 976 O HIS A 61 -2.729 -14.123 9.824 1.00 0.00 O ATOM 977 CB HIS A 61 -4.987 -15.212 12.134 1.00 0.00 C ATOM 978 CG HIS A 61 -5.202 -16.599 12.672 1.00 0.00 C ATOM 979 ND1 HIS A 61 -6.143 -17.472 12.172 1.00 0.00 N ATOM 980 CD2 HIS A 61 -4.578 -17.260 13.680 1.00 0.00 C ATOM 981 CE1 HIS A 61 -6.090 -18.607 12.845 1.00 0.00 C ATOM 982 NE2 HIS A 61 -5.148 -18.504 13.764 1.00 0.00 N ATOM 0 H HIS A 61 -4.062 -12.971 12.615 1.00 0.00 H new ATOM 0 HA HIS A 61 -2.947 -15.537 12.614 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -5.449 -14.490 12.808 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -5.491 -15.118 11.172 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -3.781 -16.877 14.300 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -6.712 -19.473 12.673 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -4.887 -19.232 14.429 1.00 0.00 H new ATOM 990 N ASP A 62 -2.997 -16.359 10.103 1.00 0.00 N ATOM 991 CA ASP A 62 -2.384 -16.797 8.823 1.00 0.00 C ATOM 992 C ASP A 62 -2.587 -15.822 7.659 1.00 0.00 C ATOM 993 O ASP A 62 -3.644 -15.207 7.499 1.00 0.00 O ATOM 994 CB ASP A 62 -2.983 -18.144 8.419 1.00 0.00 C ATOM 995 CG ASP A 62 -2.424 -18.664 7.105 1.00 0.00 C ATOM 996 OD1 ASP A 62 -1.332 -19.257 7.117 1.00 0.00 O ATOM 997 OD2 ASP A 62 -3.077 -18.474 6.054 1.00 0.00 O ATOM 0 H ASP A 62 -3.387 -17.130 10.645 1.00 0.00 H new ATOM 0 HA ASP A 62 -1.311 -16.854 9.009 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -2.790 -18.874 9.205 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -4.065 -18.045 8.335 1.00 0.00 H new ATOM 1002 N GLU A 63 -1.515 -15.732 6.856 1.00 0.00 N ATOM 1003 CA GLU A 63 -1.348 -14.828 5.697 1.00 0.00 C ATOM 1004 C GLU A 63 -2.600 -14.646 4.833 1.00 0.00 C ATOM 1005 O GLU A 63 -2.726 -13.620 4.152 1.00 0.00 O ATOM 1006 CB GLU A 63 -0.213 -15.352 4.818 1.00 0.00 C ATOM 1007 CG GLU A 63 1.037 -15.735 5.595 1.00 0.00 C ATOM 1008 CD GLU A 63 1.597 -14.595 6.410 1.00 0.00 C ATOM 1009 OE1 GLU A 63 2.188 -13.673 5.822 1.00 0.00 O ATOM 1010 OE2 GLU A 63 1.445 -14.618 7.645 1.00 0.00 O ATOM 0 H GLU A 63 -0.694 -16.319 7.002 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.128 -13.846 6.115 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.566 -16.222 4.264 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.046 -14.590 4.083 1.00 0.00 H new ATOM 0 HG2 GLU A 63 0.805 -16.569 6.258 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.799 -16.085 4.898 1.00 0.00 H new ATOM 1017 N ASP A 64 -3.512 -15.612 4.851 1.00 0.00 N ATOM 1018 CA ASP A 64 -4.755 -15.500 4.087 1.00 0.00 C ATOM 1019 C ASP A 64 -5.483 -14.207 4.445 1.00 0.00 C ATOM 1020 O ASP A 64 -5.860 -13.428 3.568 1.00 0.00 O ATOM 1021 CB ASP A 64 -5.666 -16.704 4.374 1.00 0.00 C ATOM 1022 CG ASP A 64 -7.068 -16.538 3.806 1.00 0.00 C ATOM 1023 OD1 ASP A 64 -7.240 -16.661 2.577 1.00 0.00 O ATOM 1024 OD2 ASP A 64 -8.011 -16.296 4.595 1.00 0.00 O ATOM 0 H ASP A 64 -3.418 -16.478 5.382 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.507 -15.486 3.026 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -5.214 -17.603 3.954 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -5.732 -16.854 5.452 1.00 0.00 H new ATOM 1029 N VAL A 65 -5.661 -13.976 5.733 1.00 0.00 N ATOM 1030 CA VAL A 65 -6.319 -12.778 6.218 1.00 0.00 C ATOM 1031 C VAL A 65 -5.400 -11.540 6.119 1.00 0.00 C ATOM 1032 O VAL A 65 -5.859 -10.422 5.863 1.00 0.00 O ATOM 1033 CB VAL A 65 -6.794 -12.970 7.695 1.00 0.00 C ATOM 1034 CG1 VAL A 65 -5.622 -13.175 8.638 1.00 0.00 C ATOM 1035 CG2 VAL A 65 -7.649 -11.804 8.154 1.00 0.00 C ATOM 0 H VAL A 65 -5.354 -14.612 6.470 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.187 -12.606 5.581 1.00 0.00 H new ATOM 0 HB VAL A 65 -7.405 -13.872 7.720 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -5.992 -13.305 9.655 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.065 -14.063 8.338 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -4.967 -12.305 8.598 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -7.964 -11.967 9.185 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -7.070 -10.882 8.093 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -8.528 -11.724 7.515 1.00 0.00 H new ATOM 1045 N LEU A 66 -4.101 -11.766 6.308 1.00 0.00 N ATOM 1046 CA LEU A 66 -3.120 -10.684 6.410 1.00 0.00 C ATOM 1047 C LEU A 66 -3.015 -9.843 5.122 1.00 0.00 C ATOM 1048 O LEU A 66 -3.209 -8.622 5.157 1.00 0.00 O ATOM 1049 CB LEU A 66 -1.745 -11.284 6.793 1.00 0.00 C ATOM 1050 CG LEU A 66 -0.686 -10.327 7.398 1.00 0.00 C ATOM 1051 CD1 LEU A 66 -0.139 -9.357 6.361 1.00 0.00 C ATOM 1052 CD2 LEU A 66 -1.264 -9.572 8.588 1.00 0.00 C ATOM 0 H LEU A 66 -3.699 -12.699 6.395 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.458 -9.998 7.187 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -1.917 -12.089 7.508 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -1.316 -11.738 5.899 1.00 0.00 H new ATOM 0 HG LEU A 66 0.148 -10.939 7.743 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.600 -8.705 6.827 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.330 -9.916 5.551 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.954 -8.754 5.961 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.506 -8.905 8.999 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.125 -8.987 8.264 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.576 -10.283 9.353 1.00 0.00 H new ATOM 1064 N PHE A 67 -2.727 -10.484 3.996 1.00 0.00 N ATOM 1065 CA PHE A 67 -2.539 -9.753 2.739 1.00 0.00 C ATOM 1066 C PHE A 67 -3.836 -9.196 2.169 1.00 0.00 C ATOM 1067 O PHE A 67 -3.814 -8.206 1.433 1.00 0.00 O ATOM 1068 CB PHE A 67 -1.791 -10.603 1.713 1.00 0.00 C ATOM 1069 CG PHE A 67 -0.342 -10.824 2.077 1.00 0.00 C ATOM 1070 CD1 PHE A 67 0.031 -11.912 2.844 1.00 0.00 C ATOM 1071 CD2 PHE A 67 0.647 -9.935 1.658 1.00 0.00 C ATOM 1072 CE1 PHE A 67 1.348 -12.117 3.186 1.00 0.00 C ATOM 1073 CE2 PHE A 67 1.968 -10.139 2.000 1.00 0.00 C ATOM 1074 CZ PHE A 67 2.319 -11.232 2.765 1.00 0.00 C ATOM 0 H PHE A 67 -2.619 -11.496 3.922 1.00 0.00 H new ATOM 0 HA PHE A 67 -1.922 -8.886 2.976 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -2.288 -11.569 1.617 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -1.846 -10.118 0.738 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -0.721 -12.610 3.179 1.00 0.00 H new ATOM 0 HD2 PHE A 67 0.376 -9.078 1.059 1.00 0.00 H new ATOM 0 HE1 PHE A 67 1.622 -12.973 3.785 1.00 0.00 H new ATOM 0 HE2 PHE A 67 2.726 -9.444 1.669 1.00 0.00 H new ATOM 0 HZ PHE A 67 3.352 -11.395 3.034 1.00 0.00 H new ATOM 1084 N ASN A 68 -4.960 -9.817 2.508 1.00 0.00 N ATOM 1085 CA ASN A 68 -6.264 -9.341 2.032 1.00 0.00 C ATOM 1086 C ASN A 68 -6.498 -7.909 2.512 1.00 0.00 C ATOM 1087 O ASN A 68 -6.972 -7.056 1.766 1.00 0.00 O ATOM 1088 CB ASN A 68 -7.388 -10.265 2.536 1.00 0.00 C ATOM 1089 CG ASN A 68 -8.771 -9.851 2.047 1.00 0.00 C ATOM 1090 OD1 ASN A 68 -8.919 -9.268 0.971 1.00 0.00 O ATOM 1091 ND2 ASN A 68 -9.791 -10.151 2.831 1.00 0.00 N ATOM 0 H ASN A 68 -5.001 -10.643 3.104 1.00 0.00 H new ATOM 0 HA ASN A 68 -6.270 -9.355 0.942 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -7.185 -11.285 2.210 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -7.382 -10.272 3.626 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -10.739 -9.899 2.553 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -9.630 -10.634 3.715 1.00 0.00 H new ATOM 1098 N MET A 69 -6.143 -7.657 3.760 1.00 0.00 N ATOM 1099 CA MET A 69 -6.255 -6.324 4.341 1.00 0.00 C ATOM 1100 C MET A 69 -5.262 -5.349 3.693 1.00 0.00 C ATOM 1101 O MET A 69 -5.567 -4.178 3.499 1.00 0.00 O ATOM 1102 CB MET A 69 -6.023 -6.370 5.853 1.00 0.00 C ATOM 1103 CG MET A 69 -7.098 -7.119 6.624 1.00 0.00 C ATOM 1104 SD MET A 69 -6.826 -7.094 8.412 1.00 0.00 S ATOM 1105 CE MET A 69 -5.347 -8.101 8.548 1.00 0.00 C ATOM 0 H MET A 69 -5.772 -8.362 4.397 1.00 0.00 H new ATOM 0 HA MET A 69 -7.267 -5.967 4.147 1.00 0.00 H new ATOM 0 HB2 MET A 69 -5.058 -6.839 6.048 1.00 0.00 H new ATOM 0 HB3 MET A 69 -5.964 -5.350 6.232 1.00 0.00 H new ATOM 0 HG2 MET A 69 -8.070 -6.679 6.403 1.00 0.00 H new ATOM 0 HG3 MET A 69 -7.131 -8.153 6.281 1.00 0.00 H new ATOM 0 HE1 MET A 69 -5.195 -8.386 9.589 1.00 0.00 H new ATOM 0 HE2 MET A 69 -5.460 -8.998 7.939 1.00 0.00 H new ATOM 0 HE3 MET A 69 -4.486 -7.532 8.198 1.00 0.00 H new ATOM 1115 N CYS A 70 -4.081 -5.860 3.353 1.00 0.00 N ATOM 1116 CA CYS A 70 -2.986 -5.034 2.828 1.00 0.00 C ATOM 1117 C CYS A 70 -3.327 -4.343 1.494 1.00 0.00 C ATOM 1118 O CYS A 70 -3.011 -3.166 1.305 1.00 0.00 O ATOM 1119 CB CYS A 70 -1.722 -5.878 2.675 1.00 0.00 C ATOM 1120 SG CYS A 70 -1.082 -6.541 4.231 1.00 0.00 S ATOM 0 H CYS A 70 -3.853 -6.851 3.431 1.00 0.00 H new ATOM 0 HA CYS A 70 -2.820 -4.239 3.554 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -1.931 -6.707 1.999 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -0.948 -5.271 2.206 1.00 0.00 H new ATOM 0 HG CYS A 70 -1.959 -7.346 4.753 1.00 0.00 H new ATOM 1126 N THR A 71 -3.981 -5.053 0.582 1.00 0.00 N ATOM 1127 CA THR A 71 -4.305 -4.468 -0.720 1.00 0.00 C ATOM 1128 C THR A 71 -5.338 -3.340 -0.566 1.00 0.00 C ATOM 1129 O THR A 71 -5.254 -2.295 -1.229 1.00 0.00 O ATOM 1130 CB THR A 71 -4.794 -5.540 -1.743 1.00 0.00 C ATOM 1131 OG1 THR A 71 -5.061 -4.929 -3.012 1.00 0.00 O ATOM 1132 CG2 THR A 71 -6.046 -6.257 -1.251 1.00 0.00 C ATOM 0 H THR A 71 -4.293 -6.015 0.712 1.00 0.00 H new ATOM 0 HA THR A 71 -3.385 -4.043 -1.122 1.00 0.00 H new ATOM 0 HB THR A 71 -3.998 -6.277 -1.850 1.00 0.00 H new ATOM 0 HG1 THR A 71 -5.366 -5.611 -3.646 1.00 0.00 H new ATOM 0 HG21 THR A 71 -6.356 -6.996 -1.990 1.00 0.00 H new ATOM 0 HG22 THR A 71 -5.832 -6.757 -0.306 1.00 0.00 H new ATOM 0 HG23 THR A 71 -6.847 -5.532 -1.104 1.00 0.00 H new ATOM 1140 N ASP A 72 -6.278 -3.547 0.340 1.00 0.00 N ATOM 1141 CA ASP A 72 -7.323 -2.569 0.645 1.00 0.00 C ATOM 1142 C ASP A 72 -6.721 -1.331 1.302 1.00 0.00 C ATOM 1143 O ASP A 72 -7.232 -0.225 1.162 1.00 0.00 O ATOM 1144 CB ASP A 72 -8.388 -3.185 1.547 1.00 0.00 C ATOM 1145 CG ASP A 72 -9.628 -2.322 1.644 1.00 0.00 C ATOM 1146 OD1 ASP A 72 -10.433 -2.317 0.683 1.00 0.00 O ATOM 1147 OD2 ASP A 72 -9.818 -1.663 2.678 1.00 0.00 O ATOM 0 H ASP A 72 -6.343 -4.402 0.892 1.00 0.00 H new ATOM 0 HA ASP A 72 -7.795 -2.269 -0.291 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -8.661 -4.168 1.164 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -7.974 -3.335 2.544 1.00 0.00 H new ATOM 1152 N TRP A 73 -5.599 -1.540 1.981 1.00 0.00 N ATOM 1153 CA TRP A 73 -4.970 -0.469 2.748 1.00 0.00 C ATOM 1154 C TRP A 73 -4.305 0.506 1.772 1.00 0.00 C ATOM 1155 O TRP A 73 -4.423 1.728 1.890 1.00 0.00 O ATOM 1156 CB TRP A 73 -3.948 -1.022 3.744 1.00 0.00 C ATOM 1157 CG TRP A 73 -3.403 0.018 4.685 1.00 0.00 C ATOM 1158 CD1 TRP A 73 -3.921 0.379 5.894 1.00 0.00 C ATOM 1159 CD2 TRP A 73 -2.241 0.831 4.491 1.00 0.00 C ATOM 1160 NE1 TRP A 73 -3.148 1.360 6.463 1.00 0.00 N ATOM 1161 CE2 TRP A 73 -2.110 1.653 5.623 1.00 0.00 C ATOM 1162 CE3 TRP A 73 -1.301 0.938 3.472 1.00 0.00 C ATOM 1163 CZ2 TRP A 73 -1.073 2.570 5.762 1.00 0.00 C ATOM 1164 CZ3 TRP A 73 -0.273 1.845 3.608 1.00 0.00 C ATOM 1165 CH2 TRP A 73 -0.164 2.650 4.747 1.00 0.00 C ATOM 0 H TRP A 73 -5.109 -2.434 2.017 1.00 0.00 H new ATOM 0 HA TRP A 73 -5.732 0.051 3.329 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -4.413 -1.818 4.325 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -3.121 -1.471 3.193 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -4.809 -0.045 6.338 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -3.320 1.800 7.367 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -1.376 0.321 2.589 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -0.990 3.194 6.639 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 0.462 1.936 2.822 1.00 0.00 H new ATOM 0 HH2 TRP A 73 0.656 3.349 4.825 1.00 0.00 H new ATOM 1176 N LEU A 74 -3.620 -0.083 0.793 1.00 0.00 N ATOM 1177 CA LEU A 74 -2.921 0.681 -0.236 1.00 0.00 C ATOM 1178 C LEU A 74 -3.919 1.478 -1.077 1.00 0.00 C ATOM 1179 O LEU A 74 -3.754 2.672 -1.287 1.00 0.00 O ATOM 1180 CB LEU A 74 -2.077 -0.242 -1.130 1.00 0.00 C ATOM 1181 CG LEU A 74 -0.731 -0.717 -0.549 1.00 0.00 C ATOM 1182 CD1 LEU A 74 -0.125 -1.795 -1.438 1.00 0.00 C ATOM 1183 CD2 LEU A 74 0.232 0.460 -0.426 1.00 0.00 C ATOM 0 H LEU A 74 -3.535 -1.094 0.692 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.246 1.379 0.258 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.674 -1.121 -1.372 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -1.880 0.278 -2.068 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.906 -1.136 0.442 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.826 -2.122 -1.017 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.807 -2.643 -1.497 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.041 -1.392 -2.437 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.180 0.113 -0.014 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.402 0.896 -1.411 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.197 1.213 0.235 1.00 0.00 H new ATOM 1195 N ASN A 75 -4.977 0.801 -1.518 1.00 0.00 N ATOM 1196 CA ASN A 75 -6.056 1.439 -2.298 1.00 0.00 C ATOM 1197 C ASN A 75 -6.753 2.542 -1.511 1.00 0.00 C ATOM 1198 O ASN A 75 -7.189 3.544 -2.076 1.00 0.00 O ATOM 1199 CB ASN A 75 -7.079 0.407 -2.781 1.00 0.00 C ATOM 1200 CG ASN A 75 -6.607 -0.349 -4.008 1.00 0.00 C ATOM 1201 OD1 ASN A 75 -6.767 0.121 -5.134 1.00 0.00 O ATOM 1202 ND2 ASN A 75 -6.034 -1.522 -3.805 1.00 0.00 N ATOM 0 H ASN A 75 -5.118 -0.195 -1.352 1.00 0.00 H new ATOM 0 HA ASN A 75 -5.585 1.895 -3.169 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -7.283 -0.301 -1.978 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -8.019 0.910 -3.008 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -5.706 -2.073 -4.598 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -5.920 -1.876 -2.855 1.00 0.00 H new ATOM 1209 N HIS A 76 -6.828 2.350 -0.215 1.00 0.00 N ATOM 1210 CA HIS A 76 -7.485 3.278 0.703 1.00 0.00 C ATOM 1211 C HIS A 76 -6.933 4.720 0.608 1.00 0.00 C ATOM 1212 O HIS A 76 -7.700 5.681 0.639 1.00 0.00 O ATOM 1213 CB HIS A 76 -7.367 2.705 2.138 1.00 0.00 C ATOM 1214 CG HIS A 76 -7.256 3.703 3.252 1.00 0.00 C ATOM 1215 ND1 HIS A 76 -8.313 4.455 3.708 1.00 0.00 N ATOM 1216 CD2 HIS A 76 -6.188 4.047 4.015 1.00 0.00 C ATOM 1217 CE1 HIS A 76 -7.908 5.220 4.700 1.00 0.00 C ATOM 1218 NE2 HIS A 76 -6.621 4.993 4.909 1.00 0.00 N ATOM 0 H HIS A 76 -6.430 1.533 0.249 1.00 0.00 H new ATOM 0 HA HIS A 76 -8.535 3.364 0.422 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -8.239 2.078 2.327 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -6.493 2.055 2.175 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -5.187 3.651 3.934 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -8.523 5.916 5.251 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -6.046 5.447 5.618 1.00 0.00 H new ATOM 1226 N MET A 77 -5.626 4.865 0.483 1.00 0.00 N ATOM 1227 CA MET A 77 -5.018 6.201 0.445 1.00 0.00 C ATOM 1228 C MET A 77 -5.182 6.914 -0.908 1.00 0.00 C ATOM 1229 O MET A 77 -5.087 8.139 -0.972 1.00 0.00 O ATOM 1230 CB MET A 77 -3.546 6.171 0.866 1.00 0.00 C ATOM 1231 CG MET A 77 -2.656 5.288 0.011 1.00 0.00 C ATOM 1232 SD MET A 77 -0.922 5.402 0.491 1.00 0.00 S ATOM 1233 CE MET A 77 -1.016 4.878 2.201 1.00 0.00 C ATOM 0 H MET A 77 -4.965 4.092 0.406 1.00 0.00 H new ATOM 0 HA MET A 77 -5.574 6.789 1.175 1.00 0.00 H new ATOM 0 HB2 MET A 77 -3.155 7.188 0.842 1.00 0.00 H new ATOM 0 HB3 MET A 77 -3.485 5.831 1.900 1.00 0.00 H new ATOM 0 HG2 MET A 77 -2.987 4.253 0.094 1.00 0.00 H new ATOM 0 HG3 MET A 77 -2.761 5.574 -1.036 1.00 0.00 H new ATOM 0 HE1 MET A 77 -0.010 4.723 2.590 1.00 0.00 H new ATOM 0 HE2 MET A 77 -1.518 5.646 2.790 1.00 0.00 H new ATOM 0 HE3 MET A 77 -1.577 3.946 2.266 1.00 0.00 H new ATOM 1243 N TYR A 78 -5.427 6.154 -1.981 1.00 0.00 N ATOM 1244 CA TYR A 78 -5.538 6.748 -3.328 1.00 0.00 C ATOM 1245 C TYR A 78 -6.594 7.842 -3.390 1.00 0.00 C ATOM 1246 O TYR A 78 -6.317 8.949 -3.840 1.00 0.00 O ATOM 1247 CB TYR A 78 -5.878 5.685 -4.375 1.00 0.00 C ATOM 1248 CG TYR A 78 -4.720 4.829 -4.814 1.00 0.00 C ATOM 1249 CD1 TYR A 78 -4.246 3.811 -4.017 1.00 0.00 C ATOM 1250 CD2 TYR A 78 -4.114 5.032 -6.048 1.00 0.00 C ATOM 1251 CE1 TYR A 78 -3.203 3.011 -4.423 1.00 0.00 C ATOM 1252 CE2 TYR A 78 -3.067 4.241 -6.462 1.00 0.00 C ATOM 1253 CZ TYR A 78 -2.616 3.229 -5.644 1.00 0.00 C ATOM 1254 OH TYR A 78 -1.582 2.433 -6.050 1.00 0.00 O ATOM 0 H TYR A 78 -5.551 5.142 -1.951 1.00 0.00 H new ATOM 0 HA TYR A 78 -4.564 7.186 -3.545 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -6.657 5.037 -3.973 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -6.296 6.181 -5.251 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -4.702 3.637 -3.054 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -4.470 5.823 -6.692 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -2.848 2.216 -3.784 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -2.602 4.413 -7.422 1.00 0.00 H new ATOM 0 HH TYR A 78 -1.874 1.498 -6.061 1.00 0.00 H new ATOM 1264 N ASP A 79 -7.791 7.537 -2.916 1.00 0.00 N ATOM 1265 CA ASP A 79 -8.900 8.493 -2.958 1.00 0.00 C ATOM 1266 C ASP A 79 -8.608 9.718 -2.117 1.00 0.00 C ATOM 1267 O ASP A 79 -8.896 10.849 -2.519 1.00 0.00 O ATOM 1268 CB ASP A 79 -10.196 7.840 -2.487 1.00 0.00 C ATOM 1269 CG ASP A 79 -10.728 6.814 -3.466 1.00 0.00 C ATOM 1270 OD1 ASP A 79 -11.460 7.200 -4.404 1.00 0.00 O ATOM 1271 OD2 ASP A 79 -10.416 5.617 -3.301 1.00 0.00 O ATOM 0 H ASP A 79 -8.026 6.637 -2.497 1.00 0.00 H new ATOM 0 HA ASP A 79 -9.017 8.809 -3.995 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -10.026 7.361 -1.523 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -10.950 8.611 -2.331 1.00 0.00 H new ATOM 1276 N GLN A 80 -8.027 9.489 -0.952 1.00 0.00 N ATOM 1277 CA GLN A 80 -7.702 10.560 -0.020 1.00 0.00 C ATOM 1278 C GLN A 80 -6.764 11.603 -0.631 1.00 0.00 C ATOM 1279 O GLN A 80 -6.831 12.769 -0.275 1.00 0.00 O ATOM 1280 CB GLN A 80 -7.092 9.989 1.260 1.00 0.00 C ATOM 1281 CG GLN A 80 -8.040 9.098 2.042 1.00 0.00 C ATOM 1282 CD GLN A 80 -7.429 8.563 3.321 1.00 0.00 C ATOM 1283 OE1 GLN A 80 -6.222 8.335 3.406 1.00 0.00 O ATOM 1284 NE2 GLN A 80 -8.261 8.357 4.324 1.00 0.00 N ATOM 0 H GLN A 80 -7.767 8.559 -0.624 1.00 0.00 H new ATOM 0 HA GLN A 80 -8.637 11.066 0.219 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -6.199 9.418 1.004 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -6.772 10.812 1.898 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -8.942 9.660 2.284 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -8.345 8.261 1.414 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -9.255 8.559 4.212 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -7.911 7.996 5.211 1.00 0.00 H new ATOM 1293 N LEU A 81 -5.905 11.184 -1.549 1.00 0.00 N ATOM 1294 CA LEU A 81 -4.949 12.103 -2.176 1.00 0.00 C ATOM 1295 C LEU A 81 -5.493 12.701 -3.482 1.00 0.00 C ATOM 1296 O LEU A 81 -4.838 13.532 -4.115 1.00 0.00 O ATOM 1297 CB LEU A 81 -3.615 11.389 -2.442 1.00 0.00 C ATOM 1298 CG LEU A 81 -2.873 10.886 -1.198 1.00 0.00 C ATOM 1299 CD1 LEU A 81 -1.611 10.143 -1.595 1.00 0.00 C ATOM 1300 CD2 LEU A 81 -2.543 12.044 -0.265 1.00 0.00 C ATOM 0 H LEU A 81 -5.845 10.221 -1.879 1.00 0.00 H new ATOM 0 HA LEU A 81 -4.788 12.925 -1.478 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -3.803 10.540 -3.099 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.960 12.072 -2.983 1.00 0.00 H new ATOM 0 HG LEU A 81 -3.526 10.194 -0.666 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -1.098 9.793 -0.699 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.873 9.289 -2.220 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.955 10.812 -2.152 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -2.017 11.666 0.612 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -1.910 12.762 -0.786 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -3.465 12.533 0.048 1.00 0.00 H new ATOM 1312 N LYS A 82 -6.682 12.274 -3.873 1.00 0.00 N ATOM 1313 CA LYS A 82 -7.290 12.735 -5.124 1.00 0.00 C ATOM 1314 C LYS A 82 -8.062 14.057 -4.967 1.00 0.00 C ATOM 1315 O LYS A 82 -7.874 14.994 -5.743 1.00 0.00 O ATOM 1316 CB LYS A 82 -8.202 11.655 -5.721 1.00 0.00 C ATOM 1317 CG LYS A 82 -7.459 10.428 -6.238 1.00 0.00 C ATOM 1318 CD LYS A 82 -8.424 9.377 -6.768 1.00 0.00 C ATOM 1319 CE LYS A 82 -7.691 8.148 -7.290 1.00 0.00 C ATOM 1320 NZ LYS A 82 -8.639 7.111 -7.778 1.00 0.00 N ATOM 0 H LYS A 82 -7.250 11.610 -3.348 1.00 0.00 H new ATOM 0 HA LYS A 82 -6.465 12.928 -5.810 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -8.918 11.340 -4.962 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -8.775 12.091 -6.539 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -6.771 10.724 -7.030 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -6.857 10.000 -5.436 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -9.111 9.081 -5.975 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -9.027 9.807 -7.567 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -7.022 8.439 -8.099 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -7.070 7.730 -6.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -8.105 6.289 -8.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -9.261 6.815 -6.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -9.214 7.503 -8.551 1.00 0.00 H new ATOM 1334 N ASP A 83 -8.921 14.119 -3.956 1.00 0.00 N ATOM 1335 CA ASP A 83 -9.837 15.259 -3.778 1.00 0.00 C ATOM 1336 C ASP A 83 -9.884 15.752 -2.321 1.00 0.00 C ATOM 1337 O ASP A 83 -10.957 16.039 -1.792 1.00 0.00 O ATOM 1338 CB ASP A 83 -11.252 14.881 -4.278 1.00 0.00 C ATOM 1339 CG ASP A 83 -12.250 16.040 -4.238 1.00 0.00 C ATOM 1340 OD1 ASP A 83 -11.995 17.083 -4.875 1.00 0.00 O ATOM 1341 OD2 ASP A 83 -13.296 15.905 -3.567 1.00 0.00 O ATOM 0 H ASP A 83 -9.009 13.396 -3.242 1.00 0.00 H new ATOM 0 HA ASP A 83 -9.454 16.087 -4.375 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -11.179 14.511 -5.301 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -11.636 14.062 -3.670 1.00 0.00 H new ATOM 1346 N TRP A 84 -8.743 15.850 -1.649 1.00 0.00 N ATOM 1347 CA TRP A 84 -8.744 16.229 -0.233 1.00 0.00 C ATOM 1348 C TRP A 84 -8.851 17.757 -0.052 1.00 0.00 C ATOM 1349 O TRP A 84 -8.107 18.347 0.737 1.00 0.00 O ATOM 1350 CB TRP A 84 -7.458 15.703 0.438 1.00 0.00 C ATOM 1351 CG TRP A 84 -6.182 16.070 -0.293 1.00 0.00 C ATOM 1352 CD1 TRP A 84 -5.731 15.538 -1.466 1.00 0.00 C ATOM 1353 CD2 TRP A 84 -5.188 17.020 0.117 1.00 0.00 C ATOM 1354 NE1 TRP A 84 -4.541 16.112 -1.820 1.00 0.00 N ATOM 1355 CE2 TRP A 84 -4.182 17.021 -0.867 1.00 0.00 C ATOM 1356 CE3 TRP A 84 -5.055 17.875 1.211 1.00 0.00 C ATOM 1357 CZ2 TRP A 84 -3.062 17.839 -0.787 1.00 0.00 C ATOM 1358 CZ3 TRP A 84 -3.941 18.685 1.289 1.00 0.00 C ATOM 1359 CH2 TRP A 84 -2.959 18.662 0.294 1.00 0.00 C ATOM 0 H TRP A 84 -7.820 15.677 -2.048 1.00 0.00 H new ATOM 0 HA TRP A 84 -9.618 15.782 0.240 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -7.406 16.093 1.455 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -7.520 14.618 0.516 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -6.241 14.773 -2.033 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -4.007 15.895 -2.662 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -5.810 17.902 1.983 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -2.301 17.823 -1.553 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -3.825 19.348 2.133 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -2.100 19.311 0.384 1.00 0.00 H new ATOM 1370 N LYS A 85 -9.812 18.361 -0.778 1.00 0.00 N ATOM 1371 CA LYS A 85 -10.139 19.809 -0.721 1.00 0.00 C ATOM 1372 C LYS A 85 -9.637 20.511 0.554 1.00 0.00 C ATOM 1373 O LYS A 85 -10.365 20.508 1.585 1.00 0.00 O ATOM 1374 CB LYS A 85 -11.655 20.020 -0.900 1.00 0.00 C ATOM 1375 CG LYS A 85 -12.521 19.237 0.083 1.00 0.00 C ATOM 1376 CD LYS A 85 -14.003 19.489 -0.149 1.00 0.00 C ATOM 1377 CE LYS A 85 -14.855 18.706 0.837 1.00 0.00 C ATOM 1378 NZ LYS A 85 -16.307 18.946 0.638 1.00 0.00 N ATOM 0 H LYS A 85 -10.399 17.849 -1.437 1.00 0.00 H new ATOM 0 HA LYS A 85 -9.603 20.277 -1.547 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -11.877 21.082 -0.795 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -11.932 19.736 -1.915 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -12.313 18.172 -0.017 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -12.259 19.518 1.103 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -14.213 20.554 -0.050 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -14.268 19.205 -1.168 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -14.646 17.642 0.730 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -14.579 18.984 1.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -16.849 18.392 1.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -16.512 19.957 0.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -16.578 18.657 -0.323 1.00 0.00 H new TER 1392 LYS A 85