USER MOD reduce.3.24.130724 H: found=0, std=0, add=475, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 477 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: C 58 SER OG : rot 180:sc= 0 USER MOD Set 1.2: C 59 ASN :FLIP amide:sc= -0.0435 F(o=-0.9,f=-0.043) USER MOD Set 2.1: C 20 THR OG1 : rot -164:sc= 0.464 USER MOD Set 2.2: C 22 THR OG1 : rot 180:sc= 0.0102 USER MOD Set 3.1: C 16 TYR OH : rot 103:sc= 1.17 USER MOD Set 3.2: C 18 SER OG : rot 127:sc= 0.529 USER MOD Single : C 9 THR OG1 : rot -5:sc= 0.799 USER MOD Single : C 14 TYR OH : rot 180:sc= 0 USER MOD Single : C 25 SER OG : rot 180:sc= 0.00255 USER MOD Single : C 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 33 GLN : amide:sc= -0.217 X(o=-0.22,f=0) USER MOD Single : C 36 ASN : amide:sc= -0.108 X(o=-0.11,f=0) USER MOD Single : C 37 ASN : amide:sc= -1.33 K(o=-1.3,f=-8.2!) USER MOD Single : C 38 THR OG1 : rot -51:sc= 0.478 USER MOD Single : C 46 HIS : no HE2:sc= -2.76 X(o=-2.8,f=-3) USER MOD Single : C 47 SER OG : rot 180:sc= 0 USER MOD Single : C 49 THR OG1 : rot 180:sc= 0.0165 USER MOD Single : C 50 THR OG1 : rot 180:sc= 0 USER MOD Single : C 52 GLN : amide:sc= -1.48! C(o=-1.5!,f=-4.9!) USER MOD Single : C 53 THR OG1 : rot 180:sc= 0 USER MOD Single : C 55 TYR OH : rot 180:sc= 0 USER MOD Single : C 60 TYR OH : rot 28:sc= 0.686 USER MOD Single : C 64 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR C 9 5.511 1.730 -25.743 1.00 0.00 N ATOM 2 CA THR C 9 4.138 2.081 -25.282 1.00 0.00 C ATOM 3 C THR C 9 3.910 1.518 -23.878 1.00 0.00 C ATOM 4 O THR C 9 3.854 0.320 -23.680 1.00 0.00 O ATOM 5 CB THR C 9 3.109 1.484 -26.246 1.00 0.00 C ATOM 6 OG1 THR C 9 3.785 0.804 -27.294 1.00 0.00 O ATOM 7 CG2 THR C 9 2.248 2.603 -26.833 1.00 0.00 C ATOM 0 HA THR C 9 4.029 3.165 -25.259 1.00 0.00 H new ATOM 0 HB THR C 9 2.471 0.782 -25.709 1.00 0.00 H new ATOM 0 HG1 THR C 9 4.751 0.946 -27.207 1.00 0.00 H new ATOM 0 HG21 THR C 9 1.516 2.177 -27.519 1.00 0.00 H new ATOM 0 HG22 THR C 9 1.730 3.124 -26.028 1.00 0.00 H new ATOM 0 HG23 THR C 9 2.883 3.307 -27.371 1.00 0.00 H new ATOM 14 N PHE C 10 3.778 2.373 -22.900 1.00 0.00 N ATOM 15 CA PHE C 10 3.554 1.886 -21.509 1.00 0.00 C ATOM 16 C PHE C 10 2.264 2.497 -20.956 1.00 0.00 C ATOM 17 O PHE C 10 2.024 3.682 -21.077 1.00 0.00 O ATOM 18 CB PHE C 10 4.734 2.300 -20.628 1.00 0.00 C ATOM 19 CG PHE C 10 5.828 1.233 -20.705 1.00 0.00 C ATOM 20 CD1 PHE C 10 6.494 0.996 -21.893 1.00 0.00 C ATOM 21 CD2 PHE C 10 6.166 0.492 -19.586 1.00 0.00 C ATOM 22 CE1 PHE C 10 7.482 0.034 -21.962 1.00 0.00 C ATOM 23 CE2 PHE C 10 7.153 -0.469 -19.656 1.00 0.00 C ATOM 24 CZ PHE C 10 7.811 -0.699 -20.843 1.00 0.00 C ATOM 0 H PHE C 10 3.816 3.387 -23.004 1.00 0.00 H new ATOM 0 HA PHE C 10 3.468 0.799 -21.513 1.00 0.00 H new ATOM 0 HB2 PHE C 10 5.126 3.263 -20.956 1.00 0.00 H new ATOM 0 HB3 PHE C 10 4.405 2.425 -19.596 1.00 0.00 H new ATOM 0 HD1 PHE C 10 6.240 1.567 -22.773 1.00 0.00 H new ATOM 0 HD2 PHE C 10 5.653 0.667 -18.652 1.00 0.00 H new ATOM 0 HE1 PHE C 10 7.997 -0.144 -22.894 1.00 0.00 H new ATOM 0 HE2 PHE C 10 7.410 -1.042 -18.778 1.00 0.00 H new ATOM 0 HZ PHE C 10 8.583 -1.452 -20.897 1.00 0.00 H new ATOM 34 N VAL C 11 1.433 1.696 -20.345 1.00 0.00 N ATOM 35 CA VAL C 11 0.158 2.227 -19.783 1.00 0.00 C ATOM 36 C VAL C 11 0.197 2.132 -18.256 1.00 0.00 C ATOM 37 O VAL C 11 0.626 1.143 -17.697 1.00 0.00 O ATOM 38 CB VAL C 11 -1.016 1.403 -20.314 1.00 0.00 C ATOM 39 CG1 VAL C 11 -2.303 1.833 -19.606 1.00 0.00 C ATOM 40 CG2 VAL C 11 -1.161 1.633 -21.820 1.00 0.00 C ATOM 0 H VAL C 11 1.582 0.696 -20.211 1.00 0.00 H new ATOM 0 HA VAL C 11 0.035 3.268 -20.081 1.00 0.00 H new ATOM 0 HB VAL C 11 -0.833 0.345 -20.124 1.00 0.00 H new ATOM 0 HG11 VAL C 11 -3.140 1.246 -19.984 1.00 0.00 H new ATOM 0 HG12 VAL C 11 -2.200 1.669 -18.533 1.00 0.00 H new ATOM 0 HG13 VAL C 11 -2.487 2.891 -19.796 1.00 0.00 H new ATOM 0 HG21 VAL C 11 -1.998 1.046 -22.199 1.00 0.00 H new ATOM 0 HG22 VAL C 11 -1.344 2.690 -22.011 1.00 0.00 H new ATOM 0 HG23 VAL C 11 -0.245 1.327 -22.325 1.00 0.00 H new ATOM 50 N ALA C 12 -0.249 3.154 -17.578 1.00 0.00 N ATOM 51 CA ALA C 12 -0.237 3.122 -16.088 1.00 0.00 C ATOM 52 C ALA C 12 -1.424 2.299 -15.582 1.00 0.00 C ATOM 53 O ALA C 12 -2.540 2.774 -15.522 1.00 0.00 O ATOM 54 CB ALA C 12 -0.340 4.550 -15.549 1.00 0.00 C ATOM 0 H ALA C 12 -0.621 4.009 -17.991 1.00 0.00 H new ATOM 0 HA ALA C 12 0.691 2.667 -15.742 1.00 0.00 H new ATOM 0 HB1 ALA C 12 -0.331 4.529 -14.459 1.00 0.00 H new ATOM 0 HB2 ALA C 12 0.506 5.136 -15.907 1.00 0.00 H new ATOM 0 HB3 ALA C 12 -1.268 5.004 -15.896 1.00 0.00 H new ATOM 60 N LEU C 13 -1.191 1.067 -15.217 1.00 0.00 N ATOM 61 CA LEU C 13 -2.306 0.215 -14.716 1.00 0.00 C ATOM 62 C LEU C 13 -2.852 0.788 -13.409 1.00 0.00 C ATOM 63 O LEU C 13 -3.989 1.208 -13.331 1.00 0.00 O ATOM 64 CB LEU C 13 -1.799 -1.203 -14.451 1.00 0.00 C ATOM 65 CG LEU C 13 -1.147 -1.766 -15.715 1.00 0.00 C ATOM 66 CD1 LEU C 13 -0.755 -3.224 -15.470 1.00 0.00 C ATOM 67 CD2 LEU C 13 -2.139 -1.691 -16.877 1.00 0.00 C ATOM 0 H LEU C 13 -0.277 0.615 -15.244 1.00 0.00 H new ATOM 0 HA LEU C 13 -3.093 0.194 -15.470 1.00 0.00 H new ATOM 0 HB2 LEU C 13 -1.079 -1.194 -13.633 1.00 0.00 H new ATOM 0 HB3 LEU C 13 -2.626 -1.843 -14.142 1.00 0.00 H new ATOM 0 HG LEU C 13 -0.259 -1.184 -15.961 1.00 0.00 H new ATOM 0 HD11 LEU C 13 -0.290 -3.631 -16.368 1.00 0.00 H new ATOM 0 HD12 LEU C 13 -0.050 -3.277 -14.640 1.00 0.00 H new ATOM 0 HD13 LEU C 13 -1.645 -3.804 -15.228 1.00 0.00 H new ATOM 0 HD21 LEU C 13 -1.675 -2.092 -17.778 1.00 0.00 H new ATOM 0 HD22 LEU C 13 -3.027 -2.275 -16.635 1.00 0.00 H new ATOM 0 HD23 LEU C 13 -2.423 -0.652 -17.047 1.00 0.00 H new ATOM 79 N TYR C 14 -2.050 0.810 -12.379 1.00 0.00 N ATOM 80 CA TYR C 14 -2.531 1.354 -11.078 1.00 0.00 C ATOM 81 C TYR C 14 -2.071 2.803 -10.917 1.00 0.00 C ATOM 82 O TYR C 14 -1.009 3.183 -11.367 1.00 0.00 O ATOM 83 CB TYR C 14 -1.966 0.517 -9.923 1.00 0.00 C ATOM 84 CG TYR C 14 -1.941 -0.971 -10.298 1.00 0.00 C ATOM 85 CD1 TYR C 14 -2.748 -1.468 -11.303 1.00 0.00 C ATOM 86 CD2 TYR C 14 -1.098 -1.838 -9.632 1.00 0.00 C ATOM 87 CE1 TYR C 14 -2.710 -2.805 -11.638 1.00 0.00 C ATOM 88 CE2 TYR C 14 -1.062 -3.176 -9.966 1.00 0.00 C ATOM 89 CZ TYR C 14 -1.867 -3.670 -10.972 1.00 0.00 C ATOM 90 OH TYR C 14 -1.829 -5.009 -11.307 1.00 0.00 O ATOM 0 H TYR C 14 -1.086 0.476 -12.382 1.00 0.00 H new ATOM 0 HA TYR C 14 -3.620 1.313 -11.061 1.00 0.00 H new ATOM 0 HB2 TYR C 14 -0.958 0.854 -9.681 1.00 0.00 H new ATOM 0 HB3 TYR C 14 -2.573 0.663 -9.030 1.00 0.00 H new ATOM 0 HD1 TYR C 14 -3.415 -0.803 -11.831 1.00 0.00 H new ATOM 0 HD2 TYR C 14 -0.461 -1.466 -8.843 1.00 0.00 H new ATOM 0 HE1 TYR C 14 -3.345 -3.178 -12.428 1.00 0.00 H new ATOM 0 HE2 TYR C 14 -0.398 -3.843 -9.436 1.00 0.00 H new ATOM 0 HH TYR C 14 -1.179 -5.470 -10.737 1.00 0.00 H new ATOM 100 N ASP C 15 -2.866 3.615 -10.275 1.00 0.00 N ATOM 101 CA ASP C 15 -2.482 5.037 -10.080 1.00 0.00 C ATOM 102 C ASP C 15 -1.280 5.104 -9.138 1.00 0.00 C ATOM 103 O ASP C 15 -1.212 4.396 -8.154 1.00 0.00 O ATOM 104 CB ASP C 15 -3.657 5.798 -9.466 1.00 0.00 C ATOM 105 CG ASP C 15 -4.315 4.938 -8.384 1.00 0.00 C ATOM 106 OD1 ASP C 15 -3.657 4.038 -7.888 1.00 0.00 O ATOM 107 OD2 ASP C 15 -5.465 5.194 -8.069 1.00 0.00 O ATOM 0 H ASP C 15 -3.767 3.351 -9.877 1.00 0.00 H new ATOM 0 HA ASP C 15 -2.222 5.486 -11.038 1.00 0.00 H new ATOM 0 HB2 ASP C 15 -3.310 6.738 -9.037 1.00 0.00 H new ATOM 0 HB3 ASP C 15 -4.384 6.049 -10.238 1.00 0.00 H new ATOM 112 N TYR C 16 -0.332 5.950 -9.428 1.00 0.00 N ATOM 113 CA TYR C 16 0.864 6.059 -8.547 1.00 0.00 C ATOM 114 C TYR C 16 0.767 7.332 -7.707 1.00 0.00 C ATOM 115 O TYR C 16 0.765 8.431 -8.227 1.00 0.00 O ATOM 116 CB TYR C 16 2.123 6.105 -9.413 1.00 0.00 C ATOM 117 CG TYR C 16 3.353 6.344 -8.537 1.00 0.00 C ATOM 118 CD1 TYR C 16 3.424 5.815 -7.265 1.00 0.00 C ATOM 119 CD2 TYR C 16 4.417 7.081 -9.016 1.00 0.00 C ATOM 120 CE1 TYR C 16 4.544 6.018 -6.485 1.00 0.00 C ATOM 121 CE2 TYR C 16 5.536 7.283 -8.236 1.00 0.00 C ATOM 122 CZ TYR C 16 5.609 6.753 -6.965 1.00 0.00 C ATOM 123 OH TYR C 16 6.730 6.954 -6.186 1.00 0.00 O ATOM 0 H TYR C 16 -0.333 6.571 -10.237 1.00 0.00 H new ATOM 0 HA TYR C 16 0.911 5.196 -7.883 1.00 0.00 H new ATOM 0 HB2 TYR C 16 2.232 5.168 -9.960 1.00 0.00 H new ATOM 0 HB3 TYR C 16 2.035 6.899 -10.155 1.00 0.00 H new ATOM 0 HD1 TYR C 16 2.597 5.238 -6.877 1.00 0.00 H new ATOM 0 HD2 TYR C 16 4.373 7.503 -10.009 1.00 0.00 H new ATOM 0 HE1 TYR C 16 4.588 5.598 -5.491 1.00 0.00 H new ATOM 0 HE2 TYR C 16 6.362 7.861 -8.624 1.00 0.00 H new ATOM 0 HH TYR C 16 7.450 6.363 -6.490 1.00 0.00 H new ATOM 133 N GLU C 17 0.682 7.190 -6.412 1.00 0.00 N ATOM 134 CA GLU C 17 0.584 8.387 -5.530 1.00 0.00 C ATOM 135 C GLU C 17 1.664 8.312 -4.450 1.00 0.00 C ATOM 136 O GLU C 17 1.383 8.071 -3.292 1.00 0.00 O ATOM 137 CB GLU C 17 -0.796 8.424 -4.870 1.00 0.00 C ATOM 138 CG GLU C 17 -1.007 7.146 -4.056 1.00 0.00 C ATOM 139 CD GLU C 17 -2.506 6.880 -3.904 1.00 0.00 C ATOM 140 OE1 GLU C 17 -3.278 7.569 -4.550 1.00 0.00 O ATOM 141 OE2 GLU C 17 -2.856 5.992 -3.143 1.00 0.00 O ATOM 0 H GLU C 17 0.676 6.293 -5.926 1.00 0.00 H new ATOM 0 HA GLU C 17 0.725 9.289 -6.125 1.00 0.00 H new ATOM 0 HB2 GLU C 17 -0.878 9.297 -4.223 1.00 0.00 H new ATOM 0 HB3 GLU C 17 -1.572 8.516 -5.630 1.00 0.00 H new ATOM 0 HG2 GLU C 17 -0.526 6.303 -4.551 1.00 0.00 H new ATOM 0 HG3 GLU C 17 -0.543 7.246 -3.075 1.00 0.00 H new ATOM 148 N SER C 18 2.899 8.515 -4.819 1.00 0.00 N ATOM 149 CA SER C 18 3.997 8.456 -3.814 1.00 0.00 C ATOM 150 C SER C 18 3.775 9.531 -2.750 1.00 0.00 C ATOM 151 O SER C 18 2.745 10.175 -2.709 1.00 0.00 O ATOM 152 CB SER C 18 5.338 8.699 -4.508 1.00 0.00 C ATOM 153 OG SER C 18 6.290 7.754 -4.043 1.00 0.00 O ATOM 0 H SER C 18 3.195 8.719 -5.774 1.00 0.00 H new ATOM 0 HA SER C 18 4.003 7.473 -3.343 1.00 0.00 H new ATOM 0 HB2 SER C 18 5.221 8.612 -5.588 1.00 0.00 H new ATOM 0 HB3 SER C 18 5.686 9.712 -4.305 1.00 0.00 H new ATOM 0 HG SER C 18 6.696 7.295 -4.808 1.00 0.00 H new ATOM 159 N ARG C 19 4.734 9.730 -1.889 1.00 0.00 N ATOM 160 CA ARG C 19 4.581 10.762 -0.827 1.00 0.00 C ATOM 161 C ARG C 19 5.784 11.706 -0.862 1.00 0.00 C ATOM 162 O ARG C 19 6.234 12.194 0.156 1.00 0.00 O ATOM 163 CB ARG C 19 4.503 10.080 0.541 1.00 0.00 C ATOM 164 CG ARG C 19 3.797 8.730 0.398 1.00 0.00 C ATOM 165 CD ARG C 19 4.836 7.607 0.409 1.00 0.00 C ATOM 166 NE ARG C 19 4.153 6.300 0.631 1.00 0.00 N ATOM 167 CZ ARG C 19 4.857 5.212 0.797 1.00 0.00 C ATOM 168 NH1 ARG C 19 6.162 5.263 0.769 1.00 0.00 N ATOM 169 NH2 ARG C 19 4.254 4.071 0.991 1.00 0.00 N ATOM 0 H ARG C 19 5.618 9.222 -1.875 1.00 0.00 H new ATOM 0 HA ARG C 19 3.667 11.331 -0.999 1.00 0.00 H new ATOM 0 HB2 ARG C 19 5.505 9.937 0.946 1.00 0.00 H new ATOM 0 HB3 ARG C 19 3.962 10.713 1.244 1.00 0.00 H new ATOM 0 HG2 ARG C 19 3.087 8.591 1.213 1.00 0.00 H new ATOM 0 HG3 ARG C 19 3.226 8.703 -0.530 1.00 0.00 H new ATOM 0 HD2 ARG C 19 5.379 7.590 -0.536 1.00 0.00 H new ATOM 0 HD3 ARG C 19 5.570 7.784 1.195 1.00 0.00 H new ATOM 0 HE ARG C 19 3.134 6.255 0.653 1.00 0.00 H new ATOM 0 HH11 ARG C 19 6.634 6.154 0.617 1.00 0.00 H new ATOM 0 HH12 ARG C 19 6.709 4.412 0.899 1.00 0.00 H new ATOM 0 HH21 ARG C 19 3.235 4.030 1.013 1.00 0.00 H new ATOM 0 HH22 ARG C 19 4.802 3.220 1.121 1.00 0.00 H new ATOM 183 N THR C 20 6.310 11.969 -2.028 1.00 0.00 N ATOM 184 CA THR C 20 7.484 12.881 -2.130 1.00 0.00 C ATOM 185 C THR C 20 7.204 13.960 -3.177 1.00 0.00 C ATOM 186 O THR C 20 6.321 13.826 -4.001 1.00 0.00 O ATOM 187 CB THR C 20 8.720 12.079 -2.545 1.00 0.00 C ATOM 188 OG1 THR C 20 8.653 11.797 -3.936 1.00 0.00 O ATOM 189 CG2 THR C 20 8.768 10.769 -1.758 1.00 0.00 C ATOM 0 H THR C 20 5.977 11.591 -2.915 1.00 0.00 H new ATOM 0 HA THR C 20 7.662 13.350 -1.163 1.00 0.00 H new ATOM 0 HB THR C 20 9.619 12.659 -2.334 1.00 0.00 H new ATOM 0 HG1 THR C 20 9.288 11.083 -4.156 1.00 0.00 H new ATOM 0 HG21 THR C 20 9.648 10.199 -2.054 1.00 0.00 H new ATOM 0 HG22 THR C 20 8.819 10.987 -0.691 1.00 0.00 H new ATOM 0 HG23 THR C 20 7.871 10.186 -1.967 1.00 0.00 H new ATOM 197 N GLU C 21 7.949 15.030 -3.152 1.00 0.00 N ATOM 198 CA GLU C 21 7.728 16.119 -4.145 1.00 0.00 C ATOM 199 C GLU C 21 8.589 15.869 -5.386 1.00 0.00 C ATOM 200 O GLU C 21 8.596 16.652 -6.315 1.00 0.00 O ATOM 201 CB GLU C 21 8.113 17.461 -3.520 1.00 0.00 C ATOM 202 CG GLU C 21 7.182 18.556 -4.044 1.00 0.00 C ATOM 203 CD GLU C 21 7.614 19.908 -3.471 1.00 0.00 C ATOM 204 OE1 GLU C 21 8.707 19.980 -2.935 1.00 0.00 O ATOM 205 OE2 GLU C 21 6.843 20.847 -3.578 1.00 0.00 O ATOM 0 H GLU C 21 8.703 15.198 -2.486 1.00 0.00 H new ATOM 0 HA GLU C 21 6.677 16.137 -4.434 1.00 0.00 H new ATOM 0 HB2 GLU C 21 8.045 17.401 -2.434 1.00 0.00 H new ATOM 0 HB3 GLU C 21 9.148 17.703 -3.762 1.00 0.00 H new ATOM 0 HG2 GLU C 21 7.212 18.584 -5.133 1.00 0.00 H new ATOM 0 HG3 GLU C 21 6.152 18.340 -3.759 1.00 0.00 H new ATOM 212 N THR C 22 9.317 14.785 -5.411 1.00 0.00 N ATOM 213 CA THR C 22 10.175 14.491 -6.595 1.00 0.00 C ATOM 214 C THR C 22 9.396 13.629 -7.592 1.00 0.00 C ATOM 215 O THR C 22 8.938 14.106 -8.611 1.00 0.00 O ATOM 216 CB THR C 22 11.431 13.744 -6.141 1.00 0.00 C ATOM 217 OG1 THR C 22 11.579 13.882 -4.734 1.00 0.00 O ATOM 218 CG2 THR C 22 12.657 14.327 -6.845 1.00 0.00 C ATOM 0 H THR C 22 9.355 14.091 -4.664 1.00 0.00 H new ATOM 0 HA THR C 22 10.463 15.426 -7.076 1.00 0.00 H new ATOM 0 HB THR C 22 11.338 12.688 -6.395 1.00 0.00 H new ATOM 0 HG1 THR C 22 12.382 13.403 -4.441 1.00 0.00 H new ATOM 0 HG21 THR C 22 13.551 13.794 -6.521 1.00 0.00 H new ATOM 0 HG22 THR C 22 12.542 14.220 -7.924 1.00 0.00 H new ATOM 0 HG23 THR C 22 12.753 15.383 -6.593 1.00 0.00 H new ATOM 226 N ASP C 23 9.241 12.364 -7.308 1.00 0.00 N ATOM 227 CA ASP C 23 8.491 11.479 -8.244 1.00 0.00 C ATOM 228 C ASP C 23 7.078 12.030 -8.435 1.00 0.00 C ATOM 229 O ASP C 23 6.400 12.368 -7.486 1.00 0.00 O ATOM 230 CB ASP C 23 8.410 10.063 -7.664 1.00 0.00 C ATOM 231 CG ASP C 23 9.724 9.714 -6.962 1.00 0.00 C ATOM 232 OD1 ASP C 23 9.851 10.034 -5.791 1.00 0.00 O ATOM 233 OD2 ASP C 23 10.580 9.129 -7.605 1.00 0.00 O ATOM 0 H ASP C 23 9.600 11.906 -6.470 1.00 0.00 H new ATOM 0 HA ASP C 23 9.007 11.446 -9.204 1.00 0.00 H new ATOM 0 HB2 ASP C 23 7.581 9.996 -6.959 1.00 0.00 H new ATOM 0 HB3 ASP C 23 8.210 9.345 -8.460 1.00 0.00 H new ATOM 238 N LEU C 24 6.630 12.124 -9.655 1.00 0.00 N ATOM 239 CA LEU C 24 5.263 12.654 -9.903 1.00 0.00 C ATOM 240 C LEU C 24 4.240 11.531 -9.740 1.00 0.00 C ATOM 241 O LEU C 24 4.582 10.365 -9.702 1.00 0.00 O ATOM 242 CB LEU C 24 5.184 13.214 -11.322 1.00 0.00 C ATOM 243 CG LEU C 24 5.824 14.601 -11.352 1.00 0.00 C ATOM 244 CD1 LEU C 24 7.337 14.469 -11.168 1.00 0.00 C ATOM 245 CD2 LEU C 24 5.530 15.263 -12.696 1.00 0.00 C ATOM 0 H LEU C 24 7.151 11.857 -10.490 1.00 0.00 H new ATOM 0 HA LEU C 24 5.047 13.446 -9.186 1.00 0.00 H new ATOM 0 HB2 LEU C 24 5.696 12.549 -12.017 1.00 0.00 H new ATOM 0 HB3 LEU C 24 4.145 13.273 -11.645 1.00 0.00 H new ATOM 0 HG LEU C 24 5.413 15.210 -10.547 1.00 0.00 H new ATOM 0 HD11 LEU C 24 7.794 15.458 -11.189 1.00 0.00 H new ATOM 0 HD12 LEU C 24 7.547 13.993 -10.210 1.00 0.00 H new ATOM 0 HD13 LEU C 24 7.750 13.861 -11.973 1.00 0.00 H new ATOM 0 HD21 LEU C 24 5.985 16.253 -12.721 1.00 0.00 H new ATOM 0 HD22 LEU C 24 5.943 14.653 -13.500 1.00 0.00 H new ATOM 0 HD23 LEU C 24 4.452 15.356 -12.828 1.00 0.00 H new ATOM 257 N SER C 25 2.987 11.873 -9.644 1.00 0.00 N ATOM 258 CA SER C 25 1.940 10.832 -9.482 1.00 0.00 C ATOM 259 C SER C 25 1.037 10.815 -10.717 1.00 0.00 C ATOM 260 O SER C 25 0.836 11.825 -11.362 1.00 0.00 O ATOM 261 CB SER C 25 1.104 11.165 -8.250 1.00 0.00 C ATOM 262 OG SER C 25 1.582 12.367 -7.664 1.00 0.00 O ATOM 0 H SER C 25 2.643 12.833 -9.671 1.00 0.00 H new ATOM 0 HA SER C 25 2.407 9.854 -9.365 1.00 0.00 H new ATOM 0 HB2 SER C 25 0.056 11.275 -8.528 1.00 0.00 H new ATOM 0 HB3 SER C 25 1.159 10.349 -7.529 1.00 0.00 H new ATOM 0 HG SER C 25 1.044 12.582 -6.874 1.00 0.00 H new ATOM 268 N PHE C 26 0.492 9.678 -11.052 1.00 0.00 N ATOM 269 CA PHE C 26 -0.398 9.608 -12.246 1.00 0.00 C ATOM 270 C PHE C 26 -1.639 8.782 -11.909 1.00 0.00 C ATOM 271 O PHE C 26 -1.782 8.276 -10.813 1.00 0.00 O ATOM 272 CB PHE C 26 0.344 8.969 -13.424 1.00 0.00 C ATOM 273 CG PHE C 26 1.026 7.673 -12.983 1.00 0.00 C ATOM 274 CD1 PHE C 26 0.328 6.482 -12.995 1.00 0.00 C ATOM 275 CD2 PHE C 26 2.355 7.671 -12.595 1.00 0.00 C ATOM 276 CE1 PHE C 26 0.946 5.304 -12.628 1.00 0.00 C ATOM 277 CE2 PHE C 26 2.974 6.492 -12.228 1.00 0.00 C ATOM 278 CZ PHE C 26 2.269 5.310 -12.245 1.00 0.00 C ATOM 0 H PHE C 26 0.623 8.798 -10.553 1.00 0.00 H new ATOM 0 HA PHE C 26 -0.697 10.618 -12.526 1.00 0.00 H new ATOM 0 HB2 PHE C 26 -0.356 8.762 -14.234 1.00 0.00 H new ATOM 0 HB3 PHE C 26 1.087 9.664 -13.814 1.00 0.00 H new ATOM 0 HD1 PHE C 26 -0.710 6.472 -13.294 1.00 0.00 H new ATOM 0 HD2 PHE C 26 2.911 8.597 -12.579 1.00 0.00 H new ATOM 0 HE1 PHE C 26 0.392 4.377 -12.641 1.00 0.00 H new ATOM 0 HE2 PHE C 26 4.011 6.498 -11.928 1.00 0.00 H new ATOM 0 HZ PHE C 26 2.753 4.388 -11.958 1.00 0.00 H new ATOM 288 N LYS C 27 -2.537 8.639 -12.843 1.00 0.00 N ATOM 289 CA LYS C 27 -3.771 7.846 -12.575 1.00 0.00 C ATOM 290 C LYS C 27 -3.801 6.607 -13.472 1.00 0.00 C ATOM 291 O LYS C 27 -2.901 6.370 -14.253 1.00 0.00 O ATOM 292 CB LYS C 27 -5.002 8.709 -12.861 1.00 0.00 C ATOM 293 CG LYS C 27 -5.684 9.078 -11.542 1.00 0.00 C ATOM 294 CD LYS C 27 -7.022 8.344 -11.438 1.00 0.00 C ATOM 295 CE LYS C 27 -8.041 9.004 -12.369 1.00 0.00 C ATOM 296 NZ LYS C 27 -9.417 8.765 -11.850 1.00 0.00 N ATOM 0 H LYS C 27 -2.471 9.036 -13.780 1.00 0.00 H new ATOM 0 HA LYS C 27 -3.775 7.533 -11.531 1.00 0.00 H new ATOM 0 HB2 LYS C 27 -4.710 9.612 -13.397 1.00 0.00 H new ATOM 0 HB3 LYS C 27 -5.697 8.168 -13.503 1.00 0.00 H new ATOM 0 HG2 LYS C 27 -5.044 8.810 -10.702 1.00 0.00 H new ATOM 0 HG3 LYS C 27 -5.843 10.155 -11.491 1.00 0.00 H new ATOM 0 HD2 LYS C 27 -6.895 7.295 -11.706 1.00 0.00 H new ATOM 0 HD3 LYS C 27 -7.383 8.369 -10.410 1.00 0.00 H new ATOM 0 HE2 LYS C 27 -7.847 10.075 -12.437 1.00 0.00 H new ATOM 0 HE3 LYS C 27 -7.945 8.598 -13.376 1.00 0.00 H new ATOM 0 HZ1 LYS C 27 -10.110 9.214 -12.483 1.00 0.00 H new ATOM 0 HZ2 LYS C 27 -9.599 7.742 -11.807 1.00 0.00 H new ATOM 0 HZ3 LYS C 27 -9.504 9.172 -10.897 1.00 0.00 H new ATOM 310 N LYS C 28 -4.834 5.816 -13.365 1.00 0.00 N ATOM 311 CA LYS C 28 -4.932 4.590 -14.207 1.00 0.00 C ATOM 312 C LYS C 28 -5.490 4.960 -15.583 1.00 0.00 C ATOM 313 O LYS C 28 -6.526 5.585 -15.695 1.00 0.00 O ATOM 314 CB LYS C 28 -5.865 3.584 -13.528 1.00 0.00 C ATOM 315 CG LYS C 28 -6.228 2.469 -14.513 1.00 0.00 C ATOM 316 CD LYS C 28 -7.743 2.447 -14.722 1.00 0.00 C ATOM 317 CE LYS C 28 -8.410 1.749 -13.534 1.00 0.00 C ATOM 318 NZ LYS C 28 -9.799 2.264 -13.370 1.00 0.00 N ATOM 0 H LYS C 28 -5.617 5.967 -12.729 1.00 0.00 H new ATOM 0 HA LYS C 28 -3.943 4.147 -14.326 1.00 0.00 H new ATOM 0 HB2 LYS C 28 -5.381 3.161 -12.648 1.00 0.00 H new ATOM 0 HB3 LYS C 28 -6.769 4.087 -13.184 1.00 0.00 H new ATOM 0 HG2 LYS C 28 -5.721 2.630 -15.464 1.00 0.00 H new ATOM 0 HG3 LYS C 28 -5.889 1.506 -14.130 1.00 0.00 H new ATOM 0 HD2 LYS C 28 -8.122 3.464 -14.820 1.00 0.00 H new ATOM 0 HD3 LYS C 28 -7.986 1.925 -15.648 1.00 0.00 H new ATOM 0 HE2 LYS C 28 -8.427 0.671 -13.695 1.00 0.00 H new ATOM 0 HE3 LYS C 28 -7.835 1.926 -12.625 1.00 0.00 H new ATOM 0 HZ1 LYS C 28 -10.252 1.790 -12.563 1.00 0.00 H new ATOM 0 HZ2 LYS C 28 -9.771 3.289 -13.198 1.00 0.00 H new ATOM 0 HZ3 LYS C 28 -10.344 2.073 -14.235 1.00 0.00 H new ATOM 332 N GLY C 29 -4.813 4.577 -16.630 1.00 0.00 N ATOM 333 CA GLY C 29 -5.305 4.907 -17.997 1.00 0.00 C ATOM 334 C GLY C 29 -4.421 5.995 -18.612 1.00 0.00 C ATOM 335 O GLY C 29 -4.550 6.329 -19.773 1.00 0.00 O ATOM 0 H GLY C 29 -3.940 4.050 -16.598 1.00 0.00 H new ATOM 0 HA2 GLY C 29 -5.292 4.016 -18.624 1.00 0.00 H new ATOM 0 HA3 GLY C 29 -6.339 5.248 -17.950 1.00 0.00 H new ATOM 339 N GLU C 30 -3.524 6.551 -17.844 1.00 0.00 N ATOM 340 CA GLU C 30 -2.635 7.616 -18.388 1.00 0.00 C ATOM 341 C GLU C 30 -1.375 6.978 -18.978 1.00 0.00 C ATOM 342 O GLU C 30 -0.705 6.194 -18.336 1.00 0.00 O ATOM 343 CB GLU C 30 -2.241 8.575 -17.262 1.00 0.00 C ATOM 344 CG GLU C 30 -1.108 9.486 -17.740 1.00 0.00 C ATOM 345 CD GLU C 30 -0.720 10.449 -16.616 1.00 0.00 C ATOM 346 OE1 GLU C 30 -1.595 10.817 -15.849 1.00 0.00 O ATOM 347 OE2 GLU C 30 0.445 10.802 -16.542 1.00 0.00 O ATOM 0 H GLU C 30 -3.369 6.314 -16.864 1.00 0.00 H new ATOM 0 HA GLU C 30 -3.162 8.166 -19.167 1.00 0.00 H new ATOM 0 HB2 GLU C 30 -3.101 9.174 -16.962 1.00 0.00 H new ATOM 0 HB3 GLU C 30 -1.923 8.012 -16.385 1.00 0.00 H new ATOM 0 HG2 GLU C 30 -0.246 8.888 -18.035 1.00 0.00 H new ATOM 0 HG3 GLU C 30 -1.424 10.046 -18.620 1.00 0.00 H new ATOM 354 N ARG C 31 -1.047 7.308 -20.198 1.00 0.00 N ATOM 355 CA ARG C 31 0.169 6.721 -20.829 1.00 0.00 C ATOM 356 C ARG C 31 1.408 7.480 -20.352 1.00 0.00 C ATOM 357 O ARG C 31 1.353 8.659 -20.065 1.00 0.00 O ATOM 358 CB ARG C 31 0.058 6.832 -22.351 1.00 0.00 C ATOM 359 CG ARG C 31 -0.118 5.437 -22.954 1.00 0.00 C ATOM 360 CD ARG C 31 -0.386 5.561 -24.455 1.00 0.00 C ATOM 361 NE ARG C 31 0.541 6.568 -25.045 1.00 0.00 N ATOM 362 CZ ARG C 31 1.789 6.256 -25.273 1.00 0.00 C ATOM 363 NH1 ARG C 31 2.231 5.061 -24.984 1.00 0.00 N ATOM 364 NH2 ARG C 31 2.597 7.141 -25.790 1.00 0.00 N ATOM 0 H ARG C 31 -1.569 7.959 -20.785 1.00 0.00 H new ATOM 0 HA ARG C 31 0.254 5.672 -20.546 1.00 0.00 H new ATOM 0 HB2 ARG C 31 -0.788 7.465 -22.619 1.00 0.00 H new ATOM 0 HB3 ARG C 31 0.952 7.305 -22.758 1.00 0.00 H new ATOM 0 HG2 ARG C 31 0.777 4.839 -22.782 1.00 0.00 H new ATOM 0 HG3 ARG C 31 -0.945 4.920 -22.467 1.00 0.00 H new ATOM 0 HD2 ARG C 31 -0.247 4.595 -24.941 1.00 0.00 H new ATOM 0 HD3 ARG C 31 -1.420 5.859 -24.627 1.00 0.00 H new ATOM 0 HE ARG C 31 0.200 7.502 -25.271 1.00 0.00 H new ATOM 0 HH11 ARG C 31 1.601 4.368 -24.579 1.00 0.00 H new ATOM 0 HH12 ARG C 31 3.206 4.821 -25.163 1.00 0.00 H new ATOM 0 HH21 ARG C 31 2.254 8.075 -26.015 1.00 0.00 H new ATOM 0 HH22 ARG C 31 3.572 6.899 -25.969 1.00 0.00 H new ATOM 378 N LEU C 32 2.527 6.813 -20.266 1.00 0.00 N ATOM 379 CA LEU C 32 3.770 7.497 -19.807 1.00 0.00 C ATOM 380 C LEU C 32 4.936 7.099 -20.715 1.00 0.00 C ATOM 381 O LEU C 32 5.051 5.962 -21.128 1.00 0.00 O ATOM 382 CB LEU C 32 4.079 7.082 -18.367 1.00 0.00 C ATOM 383 CG LEU C 32 2.947 7.544 -17.448 1.00 0.00 C ATOM 384 CD1 LEU C 32 2.396 6.344 -16.674 1.00 0.00 C ATOM 385 CD2 LEU C 32 3.483 8.583 -16.462 1.00 0.00 C ATOM 0 H LEU C 32 2.634 5.825 -20.494 1.00 0.00 H new ATOM 0 HA LEU C 32 3.628 8.577 -19.851 1.00 0.00 H new ATOM 0 HB2 LEU C 32 4.192 6.000 -18.306 1.00 0.00 H new ATOM 0 HB3 LEU C 32 5.024 7.520 -18.046 1.00 0.00 H new ATOM 0 HG LEU C 32 2.151 7.987 -18.047 1.00 0.00 H new ATOM 0 HD11 LEU C 32 1.589 6.673 -16.019 1.00 0.00 H new ATOM 0 HD12 LEU C 32 2.014 5.603 -17.376 1.00 0.00 H new ATOM 0 HD13 LEU C 32 3.192 5.901 -16.075 1.00 0.00 H new ATOM 0 HD21 LEU C 32 2.677 8.913 -15.807 1.00 0.00 H new ATOM 0 HD22 LEU C 32 4.279 8.140 -15.863 1.00 0.00 H new ATOM 0 HD23 LEU C 32 3.876 9.438 -17.012 1.00 0.00 H new ATOM 397 N GLN C 33 5.802 8.023 -21.029 1.00 0.00 N ATOM 398 CA GLN C 33 6.957 7.689 -21.910 1.00 0.00 C ATOM 399 C GLN C 33 8.077 7.071 -21.071 1.00 0.00 C ATOM 400 O GLN C 33 8.818 7.763 -20.402 1.00 0.00 O ATOM 401 CB GLN C 33 7.474 8.962 -22.585 1.00 0.00 C ATOM 402 CG GLN C 33 8.814 8.668 -23.262 1.00 0.00 C ATOM 403 CD GLN C 33 9.079 9.714 -24.347 1.00 0.00 C ATOM 404 OE1 GLN C 33 9.970 10.529 -24.216 1.00 0.00 O ATOM 405 NE2 GLN C 33 8.337 9.726 -25.420 1.00 0.00 N ATOM 0 H GLN C 33 5.760 8.992 -20.715 1.00 0.00 H new ATOM 0 HA GLN C 33 6.635 6.979 -22.672 1.00 0.00 H new ATOM 0 HB2 GLN C 33 6.752 9.316 -23.321 1.00 0.00 H new ATOM 0 HB3 GLN C 33 7.593 9.756 -21.847 1.00 0.00 H new ATOM 0 HG2 GLN C 33 9.617 8.682 -22.525 1.00 0.00 H new ATOM 0 HG3 GLN C 33 8.801 7.670 -23.700 1.00 0.00 H new ATOM 0 HE21 GLN C 33 7.589 9.042 -25.530 1.00 0.00 H new ATOM 0 HE22 GLN C 33 8.505 10.420 -26.149 1.00 0.00 H new ATOM 414 N ILE C 34 8.206 5.772 -21.099 1.00 0.00 N ATOM 415 CA ILE C 34 9.278 5.114 -20.301 1.00 0.00 C ATOM 416 C ILE C 34 10.645 5.516 -20.857 1.00 0.00 C ATOM 417 O ILE C 34 10.923 5.352 -22.028 1.00 0.00 O ATOM 418 CB ILE C 34 9.120 3.596 -20.385 1.00 0.00 C ATOM 419 CG1 ILE C 34 7.898 3.164 -19.573 1.00 0.00 C ATOM 420 CG2 ILE C 34 10.371 2.922 -19.817 1.00 0.00 C ATOM 421 CD1 ILE C 34 7.986 3.758 -18.166 1.00 0.00 C ATOM 0 H ILE C 34 7.616 5.139 -21.639 1.00 0.00 H new ATOM 0 HA ILE C 34 9.201 5.429 -19.260 1.00 0.00 H new ATOM 0 HB ILE C 34 8.987 3.302 -21.426 1.00 0.00 H new ATOM 0 HG12 ILE C 34 6.984 3.499 -20.064 1.00 0.00 H new ATOM 0 HG13 ILE C 34 7.850 2.076 -19.518 1.00 0.00 H new ATOM 0 HG21 ILE C 34 10.260 1.839 -19.876 1.00 0.00 H new ATOM 0 HG22 ILE C 34 11.243 3.229 -20.394 1.00 0.00 H new ATOM 0 HG23 ILE C 34 10.502 3.217 -18.776 1.00 0.00 H new ATOM 0 HD11 ILE C 34 7.116 3.451 -17.586 1.00 0.00 H new ATOM 0 HD12 ILE C 34 8.892 3.401 -17.677 1.00 0.00 H new ATOM 0 HD13 ILE C 34 8.013 4.846 -18.231 1.00 0.00 H new ATOM 433 N VAL C 35 11.501 6.040 -20.025 1.00 0.00 N ATOM 434 CA VAL C 35 12.850 6.453 -20.503 1.00 0.00 C ATOM 435 C VAL C 35 13.839 5.311 -20.278 1.00 0.00 C ATOM 436 O VAL C 35 14.583 4.934 -21.162 1.00 0.00 O ATOM 437 CB VAL C 35 13.309 7.691 -19.728 1.00 0.00 C ATOM 438 CG1 VAL C 35 14.799 7.930 -19.982 1.00 0.00 C ATOM 439 CG2 VAL C 35 12.511 8.909 -20.196 1.00 0.00 C ATOM 0 H VAL C 35 11.325 6.200 -19.033 1.00 0.00 H new ATOM 0 HA VAL C 35 12.805 6.689 -21.566 1.00 0.00 H new ATOM 0 HB VAL C 35 13.143 7.534 -18.662 1.00 0.00 H new ATOM 0 HG11 VAL C 35 15.125 8.811 -19.430 1.00 0.00 H new ATOM 0 HG12 VAL C 35 15.369 7.062 -19.649 1.00 0.00 H new ATOM 0 HG13 VAL C 35 14.966 8.087 -21.048 1.00 0.00 H new ATOM 0 HG21 VAL C 35 12.837 9.791 -19.645 1.00 0.00 H new ATOM 0 HG22 VAL C 35 12.677 9.065 -21.262 1.00 0.00 H new ATOM 0 HG23 VAL C 35 11.449 8.740 -20.015 1.00 0.00 H new ATOM 449 N ASN C 36 13.852 4.757 -19.100 1.00 0.00 N ATOM 450 CA ASN C 36 14.791 3.639 -18.811 1.00 0.00 C ATOM 451 C ASN C 36 14.013 2.458 -18.226 1.00 0.00 C ATOM 452 O ASN C 36 13.346 2.580 -17.218 1.00 0.00 O ATOM 453 CB ASN C 36 15.843 4.107 -17.804 1.00 0.00 C ATOM 454 CG ASN C 36 17.165 4.367 -18.530 1.00 0.00 C ATOM 455 OD1 ASN C 36 17.878 3.443 -18.867 1.00 0.00 O ATOM 456 ND2 ASN C 36 17.524 5.596 -18.786 1.00 0.00 N ATOM 0 H ASN C 36 13.251 5.031 -18.322 1.00 0.00 H new ATOM 0 HA ASN C 36 15.283 3.328 -19.733 1.00 0.00 H new ATOM 0 HB2 ASN C 36 15.505 5.015 -17.305 1.00 0.00 H new ATOM 0 HB3 ASN C 36 15.983 3.352 -17.031 1.00 0.00 H new ATOM 0 HD21 ASN C 36 18.403 5.780 -19.269 1.00 0.00 H new ATOM 0 HD22 ASN C 36 16.925 6.372 -18.503 1.00 0.00 H new ATOM 463 N ASN C 37 14.094 1.314 -18.849 1.00 0.00 N ATOM 464 CA ASN C 37 13.359 0.128 -18.328 1.00 0.00 C ATOM 465 C ASN C 37 14.312 -1.065 -18.234 1.00 0.00 C ATOM 466 O ASN C 37 15.515 -0.920 -18.328 1.00 0.00 O ATOM 467 CB ASN C 37 12.208 -0.215 -19.277 1.00 0.00 C ATOM 468 CG ASN C 37 12.747 -0.356 -20.702 1.00 0.00 C ATOM 469 OD1 ASN C 37 13.933 -0.528 -20.901 1.00 0.00 O ATOM 470 ND2 ASN C 37 11.919 -0.289 -21.709 1.00 0.00 N ATOM 0 H ASN C 37 14.638 1.150 -19.696 1.00 0.00 H new ATOM 0 HA ASN C 37 12.962 0.354 -17.338 1.00 0.00 H new ATOM 0 HB2 ASN C 37 11.729 -1.143 -18.964 1.00 0.00 H new ATOM 0 HB3 ASN C 37 11.447 0.565 -19.240 1.00 0.00 H new ATOM 0 HD21 ASN C 37 12.268 -0.381 -22.663 1.00 0.00 H new ATOM 0 HD22 ASN C 37 10.923 -0.145 -21.542 1.00 0.00 H new ATOM 477 N THR C 38 13.780 -2.244 -18.049 1.00 0.00 N ATOM 478 CA THR C 38 14.646 -3.454 -17.947 1.00 0.00 C ATOM 479 C THR C 38 15.879 -3.139 -17.097 1.00 0.00 C ATOM 480 O THR C 38 16.973 -3.583 -17.384 1.00 0.00 O ATOM 481 CB THR C 38 15.086 -3.891 -19.348 1.00 0.00 C ATOM 482 OG1 THR C 38 15.747 -5.145 -19.264 1.00 0.00 O ATOM 483 CG2 THR C 38 16.037 -2.849 -19.939 1.00 0.00 C ATOM 0 H THR C 38 12.779 -2.421 -17.964 1.00 0.00 H new ATOM 0 HA THR C 38 14.082 -4.260 -17.477 1.00 0.00 H new ATOM 0 HB THR C 38 14.210 -3.982 -19.991 1.00 0.00 H new ATOM 0 HG1 THR C 38 16.442 -5.103 -18.574 1.00 0.00 H new ATOM 0 HG21 THR C 38 16.348 -3.164 -20.935 1.00 0.00 H new ATOM 0 HG22 THR C 38 15.528 -1.887 -20.004 1.00 0.00 H new ATOM 0 HG23 THR C 38 16.914 -2.753 -19.299 1.00 0.00 H new ATOM 491 N GLU C 39 15.712 -2.377 -16.051 1.00 0.00 N ATOM 492 CA GLU C 39 16.874 -2.035 -15.185 1.00 0.00 C ATOM 493 C GLU C 39 16.415 -1.957 -13.728 1.00 0.00 C ATOM 494 O GLU C 39 16.519 -2.911 -12.982 1.00 0.00 O ATOM 495 CB GLU C 39 17.448 -0.683 -15.613 1.00 0.00 C ATOM 496 CG GLU C 39 18.847 -0.885 -16.197 1.00 0.00 C ATOM 497 CD GLU C 39 19.863 -0.093 -15.372 1.00 0.00 C ATOM 498 OE1 GLU C 39 19.447 0.807 -14.661 1.00 0.00 O ATOM 499 OE2 GLU C 39 21.040 -0.400 -15.466 1.00 0.00 O ATOM 0 H GLU C 39 14.820 -1.977 -15.759 1.00 0.00 H new ATOM 0 HA GLU C 39 17.642 -2.802 -15.284 1.00 0.00 H new ATOM 0 HB2 GLU C 39 16.797 -0.217 -16.353 1.00 0.00 H new ATOM 0 HB3 GLU C 39 17.493 -0.008 -14.758 1.00 0.00 H new ATOM 0 HG2 GLU C 39 19.105 -1.944 -16.192 1.00 0.00 H new ATOM 0 HG3 GLU C 39 18.870 -0.556 -17.236 1.00 0.00 H new ATOM 506 N GLY C 40 15.908 -0.828 -13.318 1.00 0.00 N ATOM 507 CA GLY C 40 15.442 -0.687 -11.910 1.00 0.00 C ATOM 508 C GLY C 40 13.913 -0.635 -11.883 1.00 0.00 C ATOM 509 O GLY C 40 13.289 -0.029 -12.730 1.00 0.00 O ATOM 0 H GLY C 40 15.796 0.004 -13.897 1.00 0.00 H new ATOM 0 HA2 GLY C 40 15.799 -1.525 -11.312 1.00 0.00 H new ATOM 0 HA3 GLY C 40 15.855 0.219 -11.468 1.00 0.00 H new ATOM 513 N ASP C 41 13.304 -1.267 -10.918 1.00 0.00 N ATOM 514 CA ASP C 41 11.816 -1.252 -10.841 1.00 0.00 C ATOM 515 C ASP C 41 11.304 0.169 -11.090 1.00 0.00 C ATOM 516 O ASP C 41 10.342 0.376 -11.802 1.00 0.00 O ATOM 517 CB ASP C 41 11.371 -1.717 -9.453 1.00 0.00 C ATOM 518 CG ASP C 41 10.939 -3.183 -9.521 1.00 0.00 C ATOM 519 OD1 ASP C 41 11.806 -4.039 -9.464 1.00 0.00 O ATOM 520 OD2 ASP C 41 9.748 -3.425 -9.628 1.00 0.00 O ATOM 0 H ASP C 41 13.772 -1.793 -10.180 1.00 0.00 H new ATOM 0 HA ASP C 41 11.408 -1.923 -11.597 1.00 0.00 H new ATOM 0 HB2 ASP C 41 12.187 -1.600 -8.740 1.00 0.00 H new ATOM 0 HB3 ASP C 41 10.546 -1.100 -9.098 1.00 0.00 H new ATOM 525 N TRP C 42 11.940 1.149 -10.511 1.00 0.00 N ATOM 526 CA TRP C 42 11.488 2.555 -10.715 1.00 0.00 C ATOM 527 C TRP C 42 12.127 3.120 -11.986 1.00 0.00 C ATOM 528 O TRP C 42 13.333 3.223 -12.092 1.00 0.00 O ATOM 529 CB TRP C 42 11.906 3.403 -9.513 1.00 0.00 C ATOM 530 CG TRP C 42 11.088 2.990 -8.289 1.00 0.00 C ATOM 531 CD1 TRP C 42 11.407 1.990 -7.449 1.00 0.00 C ATOM 532 CD2 TRP C 42 9.952 3.564 -7.900 1.00 0.00 C ATOM 533 NE1 TRP C 42 10.417 2.002 -6.556 1.00 0.00 N ATOM 534 CE2 TRP C 42 9.467 2.950 -6.761 1.00 0.00 C ATOM 535 CE3 TRP C 42 9.262 4.619 -8.462 1.00 0.00 C ATOM 536 CZ2 TRP C 42 8.294 3.391 -6.186 1.00 0.00 C ATOM 537 CZ3 TRP C 42 8.087 5.060 -7.885 1.00 0.00 C ATOM 538 CH2 TRP C 42 7.604 4.445 -6.747 1.00 0.00 C ATOM 0 H TRP C 42 12.753 1.038 -9.905 1.00 0.00 H new ATOM 0 HA TRP C 42 10.403 2.576 -10.816 1.00 0.00 H new ATOM 0 HB2 TRP C 42 12.970 3.272 -9.314 1.00 0.00 H new ATOM 0 HB3 TRP C 42 11.750 4.460 -9.728 1.00 0.00 H new ATOM 0 HD1 TRP C 42 12.263 1.332 -7.488 1.00 0.00 H new ATOM 0 HE1 TRP C 42 10.376 1.347 -5.776 1.00 0.00 H new ATOM 0 HE3 TRP C 42 9.640 5.099 -9.352 1.00 0.00 H new ATOM 0 HZ2 TRP C 42 7.915 2.911 -5.296 1.00 0.00 H new ATOM 0 HZ3 TRP C 42 7.546 5.886 -8.324 1.00 0.00 H new ATOM 0 HH2 TRP C 42 6.685 4.790 -6.296 1.00 0.00 H new ATOM 549 N TRP C 43 11.328 3.488 -12.951 1.00 0.00 N ATOM 550 CA TRP C 43 11.891 4.046 -14.214 1.00 0.00 C ATOM 551 C TRP C 43 11.563 5.536 -14.308 1.00 0.00 C ATOM 552 O TRP C 43 10.711 6.041 -13.603 1.00 0.00 O ATOM 553 CB TRP C 43 11.270 3.335 -15.417 1.00 0.00 C ATOM 554 CG TRP C 43 11.424 1.821 -15.273 1.00 0.00 C ATOM 555 CD1 TRP C 43 12.536 1.192 -14.861 1.00 0.00 C ATOM 556 CD2 TRP C 43 10.478 0.932 -15.561 1.00 0.00 C ATOM 557 NE1 TRP C 43 12.205 -0.100 -14.920 1.00 0.00 N ATOM 558 CE2 TRP C 43 10.940 -0.352 -15.347 1.00 0.00 C ATOM 559 CE3 TRP C 43 9.191 1.137 -16.014 1.00 0.00 C ATOM 560 CZ2 TRP C 43 10.114 -1.430 -15.588 1.00 0.00 C ATOM 561 CZ3 TRP C 43 8.365 0.059 -16.256 1.00 0.00 C ATOM 562 CH2 TRP C 43 8.826 -1.225 -16.043 1.00 0.00 C ATOM 0 H TRP C 43 10.310 3.426 -12.919 1.00 0.00 H new ATOM 0 HA TRP C 43 12.971 3.899 -14.213 1.00 0.00 H new ATOM 0 HB2 TRP C 43 10.214 3.594 -15.497 1.00 0.00 H new ATOM 0 HB3 TRP C 43 11.751 3.671 -16.335 1.00 0.00 H new ATOM 0 HD1 TRP C 43 13.475 1.628 -14.555 1.00 0.00 H new ATOM 0 HE1 TRP C 43 12.854 -0.844 -14.663 1.00 0.00 H new ATOM 0 HE3 TRP C 43 8.830 2.141 -16.179 1.00 0.00 H new ATOM 0 HZ2 TRP C 43 10.474 -2.434 -15.421 1.00 0.00 H new ATOM 0 HZ3 TRP C 43 7.358 0.219 -16.612 1.00 0.00 H new ATOM 0 HH2 TRP C 43 8.179 -2.069 -16.232 1.00 0.00 H new ATOM 573 N LEU C 44 12.232 6.243 -15.175 1.00 0.00 N ATOM 574 CA LEU C 44 11.960 7.700 -15.320 1.00 0.00 C ATOM 575 C LEU C 44 10.996 7.898 -16.488 1.00 0.00 C ATOM 576 O LEU C 44 11.339 7.667 -17.628 1.00 0.00 O ATOM 577 CB LEU C 44 13.262 8.448 -15.604 1.00 0.00 C ATOM 578 CG LEU C 44 12.936 9.882 -16.028 1.00 0.00 C ATOM 579 CD1 LEU C 44 14.049 10.818 -15.560 1.00 0.00 C ATOM 580 CD2 LEU C 44 12.819 9.953 -17.551 1.00 0.00 C ATOM 0 H LEU C 44 12.957 5.874 -15.791 1.00 0.00 H new ATOM 0 HA LEU C 44 11.525 8.088 -14.399 1.00 0.00 H new ATOM 0 HB2 LEU C 44 13.894 8.453 -14.716 1.00 0.00 H new ATOM 0 HB3 LEU C 44 13.822 7.942 -16.390 1.00 0.00 H new ATOM 0 HG LEU C 44 11.991 10.185 -15.577 1.00 0.00 H new ATOM 0 HD11 LEU C 44 13.817 11.839 -15.862 1.00 0.00 H new ATOM 0 HD12 LEU C 44 14.132 10.771 -14.474 1.00 0.00 H new ATOM 0 HD13 LEU C 44 14.994 10.513 -16.009 1.00 0.00 H new ATOM 0 HD21 LEU C 44 12.587 10.975 -17.851 1.00 0.00 H new ATOM 0 HD22 LEU C 44 13.763 9.648 -18.003 1.00 0.00 H new ATOM 0 HD23 LEU C 44 12.024 9.287 -17.886 1.00 0.00 H new ATOM 592 N ALA C 45 9.796 8.325 -16.221 1.00 0.00 N ATOM 593 CA ALA C 45 8.828 8.528 -17.332 1.00 0.00 C ATOM 594 C ALA C 45 8.668 10.019 -17.629 1.00 0.00 C ATOM 595 O ALA C 45 8.936 10.866 -16.800 1.00 0.00 O ATOM 596 CB ALA C 45 7.472 7.938 -16.941 1.00 0.00 C ATOM 0 H ALA C 45 9.445 8.541 -15.288 1.00 0.00 H new ATOM 0 HA ALA C 45 9.204 8.028 -18.224 1.00 0.00 H new ATOM 0 HB1 ALA C 45 6.762 8.087 -17.755 1.00 0.00 H new ATOM 0 HB2 ALA C 45 7.582 6.871 -16.746 1.00 0.00 H new ATOM 0 HB3 ALA C 45 7.104 8.435 -16.043 1.00 0.00 H new ATOM 602 N HIS C 46 8.230 10.340 -18.815 1.00 0.00 N ATOM 603 CA HIS C 46 8.044 11.768 -19.191 1.00 0.00 C ATOM 604 C HIS C 46 6.670 11.931 -19.847 1.00 0.00 C ATOM 605 O HIS C 46 6.297 11.174 -20.722 1.00 0.00 O ATOM 606 CB HIS C 46 9.146 12.177 -20.176 1.00 0.00 C ATOM 607 CG HIS C 46 8.743 13.458 -20.912 1.00 0.00 C ATOM 608 ND1 HIS C 46 8.792 14.627 -20.424 1.00 0.00 N ATOM 609 CD2 HIS C 46 8.267 13.628 -22.199 1.00 0.00 C ATOM 610 CE1 HIS C 46 8.395 15.490 -21.282 1.00 0.00 C ATOM 611 NE2 HIS C 46 8.046 14.932 -22.430 1.00 0.00 N ATOM 0 H HIS C 46 7.991 9.668 -19.545 1.00 0.00 H new ATOM 0 HA HIS C 46 8.102 12.402 -18.306 1.00 0.00 H new ATOM 0 HB2 HIS C 46 10.083 12.335 -19.641 1.00 0.00 H new ATOM 0 HB3 HIS C 46 9.320 11.375 -20.894 1.00 0.00 H new ATOM 0 HD1 HIS C 46 9.104 14.849 -19.479 1.00 0.00 H new ATOM 0 HD2 HIS C 46 8.099 12.833 -22.910 1.00 0.00 H new ATOM 0 HE1 HIS C 46 8.350 16.552 -21.091 1.00 0.00 H new ATOM 619 N SER C 47 5.911 12.906 -19.427 1.00 0.00 N ATOM 620 CA SER C 47 4.564 13.111 -20.030 1.00 0.00 C ATOM 621 C SER C 47 4.696 13.936 -21.312 1.00 0.00 C ATOM 622 O SER C 47 5.426 14.905 -21.366 1.00 0.00 O ATOM 623 CB SER C 47 3.668 13.853 -19.037 1.00 0.00 C ATOM 624 OG SER C 47 3.570 13.103 -17.835 1.00 0.00 O ATOM 0 H SER C 47 6.165 13.568 -18.694 1.00 0.00 H new ATOM 0 HA SER C 47 4.122 12.143 -20.266 1.00 0.00 H new ATOM 0 HB2 SER C 47 4.078 14.841 -18.829 1.00 0.00 H new ATOM 0 HB3 SER C 47 2.677 14.003 -19.466 1.00 0.00 H new ATOM 0 HG SER C 47 2.997 13.579 -17.198 1.00 0.00 H new ATOM 630 N LEU C 48 3.994 13.558 -22.345 1.00 0.00 N ATOM 631 CA LEU C 48 4.079 14.320 -23.623 1.00 0.00 C ATOM 632 C LEU C 48 3.010 15.415 -23.635 1.00 0.00 C ATOM 633 O LEU C 48 2.996 16.272 -24.496 1.00 0.00 O ATOM 634 CB LEU C 48 3.848 13.370 -24.799 1.00 0.00 C ATOM 635 CG LEU C 48 4.615 12.067 -24.559 1.00 0.00 C ATOM 636 CD1 LEU C 48 4.238 11.049 -25.637 1.00 0.00 C ATOM 637 CD2 LEU C 48 6.120 12.341 -24.618 1.00 0.00 C ATOM 0 H LEU C 48 3.365 12.755 -22.359 1.00 0.00 H new ATOM 0 HA LEU C 48 5.066 14.774 -23.711 1.00 0.00 H new ATOM 0 HB2 LEU C 48 2.784 13.163 -24.910 1.00 0.00 H new ATOM 0 HB3 LEU C 48 4.181 13.835 -25.727 1.00 0.00 H new ATOM 0 HG LEU C 48 4.358 11.669 -23.577 1.00 0.00 H new ATOM 0 HD11 LEU C 48 4.783 10.121 -25.467 1.00 0.00 H new ATOM 0 HD12 LEU C 48 3.167 10.853 -25.594 1.00 0.00 H new ATOM 0 HD13 LEU C 48 4.495 11.447 -26.619 1.00 0.00 H new ATOM 0 HD21 LEU C 48 6.666 11.413 -24.447 1.00 0.00 H new ATOM 0 HD22 LEU C 48 6.379 12.739 -25.599 1.00 0.00 H new ATOM 0 HD23 LEU C 48 6.388 13.066 -23.850 1.00 0.00 H new ATOM 649 N THR C 49 2.114 15.394 -22.686 1.00 0.00 N ATOM 650 CA THR C 49 1.049 16.434 -22.645 1.00 0.00 C ATOM 651 C THR C 49 1.640 17.747 -22.129 1.00 0.00 C ATOM 652 O THR C 49 1.800 18.699 -22.867 1.00 0.00 O ATOM 653 CB THR C 49 -0.074 15.977 -21.710 1.00 0.00 C ATOM 654 OG1 THR C 49 -0.162 14.559 -21.738 1.00 0.00 O ATOM 655 CG2 THR C 49 -1.402 16.581 -22.171 1.00 0.00 C ATOM 0 H THR C 49 2.074 14.702 -21.938 1.00 0.00 H new ATOM 0 HA THR C 49 0.648 16.585 -23.647 1.00 0.00 H new ATOM 0 HB THR C 49 0.140 16.309 -20.694 1.00 0.00 H new ATOM 0 HG1 THR C 49 -0.879 14.264 -21.139 1.00 0.00 H new ATOM 0 HG21 THR C 49 -2.201 16.255 -21.505 1.00 0.00 H new ATOM 0 HG22 THR C 49 -1.334 17.669 -22.151 1.00 0.00 H new ATOM 0 HG23 THR C 49 -1.619 16.250 -23.187 1.00 0.00 H new ATOM 663 N THR C 50 1.968 17.808 -20.867 1.00 0.00 N ATOM 664 CA THR C 50 2.549 19.061 -20.310 1.00 0.00 C ATOM 665 C THR C 50 4.051 19.096 -20.601 1.00 0.00 C ATOM 666 O THR C 50 4.683 20.132 -20.532 1.00 0.00 O ATOM 667 CB THR C 50 2.317 19.104 -18.797 1.00 0.00 C ATOM 668 OG1 THR C 50 2.901 17.957 -18.197 1.00 0.00 O ATOM 669 CG2 THR C 50 0.815 19.125 -18.510 1.00 0.00 C ATOM 0 H THR C 50 1.859 17.045 -20.199 1.00 0.00 H new ATOM 0 HA THR C 50 2.069 19.923 -20.773 1.00 0.00 H new ATOM 0 HB THR C 50 2.775 20.003 -18.384 1.00 0.00 H new ATOM 0 HG1 THR C 50 2.755 17.984 -17.228 1.00 0.00 H new ATOM 0 HG21 THR C 50 0.651 19.156 -17.433 1.00 0.00 H new ATOM 0 HG22 THR C 50 0.369 20.007 -18.970 1.00 0.00 H new ATOM 0 HG23 THR C 50 0.353 18.228 -18.922 1.00 0.00 H new ATOM 677 N GLY C 51 4.626 17.970 -20.926 1.00 0.00 N ATOM 678 CA GLY C 51 6.086 17.935 -21.223 1.00 0.00 C ATOM 679 C GLY C 51 6.883 18.115 -19.929 1.00 0.00 C ATOM 680 O GLY C 51 7.656 19.041 -19.789 1.00 0.00 O ATOM 0 H GLY C 51 4.147 17.072 -20.999 1.00 0.00 H new ATOM 0 HA2 GLY C 51 6.348 16.987 -21.693 1.00 0.00 H new ATOM 0 HA3 GLY C 51 6.341 18.724 -21.931 1.00 0.00 H new ATOM 684 N GLN C 52 6.701 17.236 -18.980 1.00 0.00 N ATOM 685 CA GLN C 52 7.450 17.360 -17.698 1.00 0.00 C ATOM 686 C GLN C 52 7.977 15.984 -17.284 1.00 0.00 C ATOM 687 O GLN C 52 7.688 14.984 -17.912 1.00 0.00 O ATOM 688 CB GLN C 52 6.520 17.901 -16.609 1.00 0.00 C ATOM 689 CG GLN C 52 6.318 19.405 -16.809 1.00 0.00 C ATOM 690 CD GLN C 52 7.644 20.134 -16.587 1.00 0.00 C ATOM 691 OE1 GLN C 52 8.654 19.515 -16.317 1.00 0.00 O ATOM 692 NE2 GLN C 52 7.685 21.435 -16.691 1.00 0.00 N ATOM 0 H GLN C 52 6.067 16.439 -19.038 1.00 0.00 H new ATOM 0 HA GLN C 52 8.286 18.047 -17.831 1.00 0.00 H new ATOM 0 HB2 GLN C 52 5.560 17.386 -16.648 1.00 0.00 H new ATOM 0 HB3 GLN C 52 6.946 17.708 -15.624 1.00 0.00 H new ATOM 0 HG2 GLN C 52 5.947 19.602 -17.815 1.00 0.00 H new ATOM 0 HG3 GLN C 52 5.566 19.777 -16.113 1.00 0.00 H new ATOM 0 HE21 GLN C 52 6.838 21.955 -16.918 1.00 0.00 H new ATOM 0 HE22 GLN C 52 8.564 21.931 -16.546 1.00 0.00 H new ATOM 701 N THR C 53 8.746 15.922 -16.232 1.00 0.00 N ATOM 702 CA THR C 53 9.288 14.609 -15.781 1.00 0.00 C ATOM 703 C THR C 53 8.244 13.895 -14.921 1.00 0.00 C ATOM 704 O THR C 53 7.249 14.471 -14.531 1.00 0.00 O ATOM 705 CB THR C 53 10.558 14.837 -14.957 1.00 0.00 C ATOM 706 OG1 THR C 53 11.485 15.601 -15.716 1.00 0.00 O ATOM 707 CG2 THR C 53 11.183 13.489 -14.595 1.00 0.00 C ATOM 0 H THR C 53 9.023 16.724 -15.665 1.00 0.00 H new ATOM 0 HA THR C 53 9.524 13.995 -16.650 1.00 0.00 H new ATOM 0 HB THR C 53 10.305 15.375 -14.044 1.00 0.00 H new ATOM 0 HG1 THR C 53 12.297 15.748 -15.188 1.00 0.00 H new ATOM 0 HG21 THR C 53 12.087 13.653 -14.008 1.00 0.00 H new ATOM 0 HG22 THR C 53 10.473 12.904 -14.011 1.00 0.00 H new ATOM 0 HG23 THR C 53 11.435 12.948 -15.507 1.00 0.00 H new ATOM 715 N GLY C 54 8.462 12.643 -14.622 1.00 0.00 N ATOM 716 CA GLY C 54 7.478 11.900 -13.787 1.00 0.00 C ATOM 717 C GLY C 54 7.965 10.466 -13.570 1.00 0.00 C ATOM 718 O GLY C 54 7.712 9.587 -14.370 1.00 0.00 O ATOM 0 H GLY C 54 9.276 12.105 -14.919 1.00 0.00 H new ATOM 0 HA2 GLY C 54 7.350 12.400 -12.827 1.00 0.00 H new ATOM 0 HA3 GLY C 54 6.504 11.893 -14.275 1.00 0.00 H new ATOM 722 N TYR C 55 8.666 10.223 -12.496 1.00 0.00 N ATOM 723 CA TYR C 55 9.167 8.850 -12.229 1.00 0.00 C ATOM 724 C TYR C 55 7.981 7.939 -11.910 1.00 0.00 C ATOM 725 O TYR C 55 7.181 8.229 -11.042 1.00 0.00 O ATOM 726 CB TYR C 55 10.124 8.894 -11.039 1.00 0.00 C ATOM 727 CG TYR C 55 11.070 10.088 -11.195 1.00 0.00 C ATOM 728 CD1 TYR C 55 11.455 10.515 -12.450 1.00 0.00 C ATOM 729 CD2 TYR C 55 11.550 10.755 -10.086 1.00 0.00 C ATOM 730 CE1 TYR C 55 12.306 11.591 -12.593 1.00 0.00 C ATOM 731 CE2 TYR C 55 12.401 11.831 -10.230 1.00 0.00 C ATOM 732 CZ TYR C 55 12.786 12.258 -11.485 1.00 0.00 C ATOM 733 OH TYR C 55 13.637 13.335 -11.628 1.00 0.00 O ATOM 0 H TYR C 55 8.912 10.919 -11.792 1.00 0.00 H new ATOM 0 HA TYR C 55 9.693 8.464 -13.102 1.00 0.00 H new ATOM 0 HB2 TYR C 55 9.562 8.979 -10.109 1.00 0.00 H new ATOM 0 HB3 TYR C 55 10.695 7.967 -10.983 1.00 0.00 H new ATOM 0 HD1 TYR C 55 11.087 10.003 -13.327 1.00 0.00 H new ATOM 0 HD2 TYR C 55 11.257 10.432 -9.098 1.00 0.00 H new ATOM 0 HE1 TYR C 55 12.599 11.914 -13.581 1.00 0.00 H new ATOM 0 HE2 TYR C 55 12.769 12.344 -9.354 1.00 0.00 H new ATOM 0 HH TYR C 55 13.875 13.684 -10.744 1.00 0.00 H new ATOM 743 N ILE C 56 7.856 6.839 -12.602 1.00 0.00 N ATOM 744 CA ILE C 56 6.717 5.919 -12.329 1.00 0.00 C ATOM 745 C ILE C 56 7.243 4.517 -11.991 1.00 0.00 C ATOM 746 O ILE C 56 8.149 4.028 -12.637 1.00 0.00 O ATOM 747 CB ILE C 56 5.829 5.837 -13.572 1.00 0.00 C ATOM 748 CG1 ILE C 56 6.624 5.220 -14.724 1.00 0.00 C ATOM 749 CG2 ILE C 56 5.374 7.244 -13.965 1.00 0.00 C ATOM 750 CD1 ILE C 56 5.703 5.015 -15.928 1.00 0.00 C ATOM 0 H ILE C 56 8.491 6.539 -13.342 1.00 0.00 H new ATOM 0 HA ILE C 56 6.143 6.299 -11.484 1.00 0.00 H new ATOM 0 HB ILE C 56 4.957 5.218 -13.358 1.00 0.00 H new ATOM 0 HG12 ILE C 56 7.455 5.871 -14.995 1.00 0.00 H new ATOM 0 HG13 ILE C 56 7.053 4.267 -14.414 1.00 0.00 H new ATOM 0 HG21 ILE C 56 4.741 7.188 -14.851 1.00 0.00 H new ATOM 0 HG22 ILE C 56 4.810 7.687 -13.144 1.00 0.00 H new ATOM 0 HG23 ILE C 56 6.246 7.861 -14.181 1.00 0.00 H new ATOM 0 HD11 ILE C 56 6.270 4.575 -16.749 1.00 0.00 H new ATOM 0 HD12 ILE C 56 4.887 4.348 -15.652 1.00 0.00 H new ATOM 0 HD13 ILE C 56 5.296 5.976 -16.242 1.00 0.00 H new ATOM 762 N PRO C 57 6.657 3.911 -10.985 1.00 0.00 N ATOM 763 CA PRO C 57 7.054 2.561 -10.546 1.00 0.00 C ATOM 764 C PRO C 57 6.777 1.548 -11.662 1.00 0.00 C ATOM 765 O PRO C 57 6.080 1.836 -12.614 1.00 0.00 O ATOM 766 CB PRO C 57 6.179 2.272 -9.318 1.00 0.00 C ATOM 767 CG PRO C 57 5.238 3.488 -9.114 1.00 0.00 C ATOM 768 CD PRO C 57 5.571 4.525 -10.199 1.00 0.00 C ATOM 0 HA PRO C 57 8.116 2.492 -10.310 1.00 0.00 H new ATOM 0 HB2 PRO C 57 5.600 1.361 -9.467 1.00 0.00 H new ATOM 0 HB3 PRO C 57 6.799 2.115 -8.435 1.00 0.00 H new ATOM 0 HG2 PRO C 57 4.195 3.180 -9.186 1.00 0.00 H new ATOM 0 HG3 PRO C 57 5.376 3.916 -8.121 1.00 0.00 H new ATOM 0 HD2 PRO C 57 4.703 4.738 -10.823 1.00 0.00 H new ATOM 0 HD3 PRO C 57 5.887 5.471 -9.759 1.00 0.00 H new ATOM 776 N SER C 58 7.316 0.364 -11.554 1.00 0.00 N ATOM 777 CA SER C 58 7.081 -0.661 -12.612 1.00 0.00 C ATOM 778 C SER C 58 5.841 -1.496 -12.272 1.00 0.00 C ATOM 779 O SER C 58 5.120 -1.936 -13.146 1.00 0.00 O ATOM 780 CB SER C 58 8.309 -1.574 -12.711 1.00 0.00 C ATOM 781 OG SER C 58 7.935 -2.920 -12.449 1.00 0.00 O ATOM 0 H SER C 58 7.908 0.062 -10.780 1.00 0.00 H new ATOM 0 HA SER C 58 6.916 -0.162 -13.567 1.00 0.00 H new ATOM 0 HB2 SER C 58 8.751 -1.497 -13.705 1.00 0.00 H new ATOM 0 HB3 SER C 58 9.069 -1.254 -11.999 1.00 0.00 H new ATOM 0 HG SER C 58 8.724 -3.498 -12.515 1.00 0.00 H new ATOM 787 N ASN C 59 5.586 -1.718 -11.011 1.00 0.00 N ATOM 788 CA ASN C 59 4.394 -2.526 -10.623 1.00 0.00 C ATOM 789 C ASN C 59 3.108 -1.733 -10.879 1.00 0.00 C ATOM 790 O ASN C 59 2.018 -2.222 -10.662 1.00 0.00 O ATOM 791 CB ASN C 59 4.483 -2.880 -9.137 1.00 0.00 C ATOM 792 CG ASN C 59 5.204 -4.219 -8.973 1.00 0.00 C ATOM 793 OD1 ASN C 59 6.040 -4.614 -9.894 1.00 0.00 O flip ATOM 794 ND2 ASN C 59 5.005 -4.914 -7.996 1.00 0.00 N flip ATOM 0 H ASN C 59 6.151 -1.375 -10.234 1.00 0.00 H new ATOM 0 HA ASN C 59 4.374 -3.437 -11.221 1.00 0.00 H new ATOM 0 HB2 ASN C 59 5.018 -2.098 -8.598 1.00 0.00 H new ATOM 0 HB3 ASN C 59 3.484 -2.938 -8.706 1.00 0.00 H new ATOM 0 HD21 ASN C 59 4.352 -4.606 -7.276 1.00 0.00 H new ATOM 0 HD22 ASN C 59 5.491 -5.805 -7.896 1.00 0.00 H new ATOM 801 N TYR C 60 3.220 -0.516 -11.337 1.00 0.00 N ATOM 802 CA TYR C 60 1.993 0.289 -11.599 1.00 0.00 C ATOM 803 C TYR C 60 1.801 0.477 -13.106 1.00 0.00 C ATOM 804 O TYR C 60 0.834 1.069 -13.544 1.00 0.00 O ATOM 805 CB TYR C 60 2.129 1.658 -10.927 1.00 0.00 C ATOM 806 CG TYR C 60 1.583 1.582 -9.498 1.00 0.00 C ATOM 807 CD1 TYR C 60 1.497 0.370 -8.844 1.00 0.00 C ATOM 808 CD2 TYR C 60 1.172 2.725 -8.844 1.00 0.00 C ATOM 809 CE1 TYR C 60 1.008 0.302 -7.556 1.00 0.00 C ATOM 810 CE2 TYR C 60 0.683 2.657 -7.554 1.00 0.00 C ATOM 811 CZ TYR C 60 0.597 1.444 -6.901 1.00 0.00 C ATOM 812 OH TYR C 60 0.106 1.376 -5.612 1.00 0.00 O ATOM 0 H TYR C 60 4.102 -0.046 -11.540 1.00 0.00 H new ATOM 0 HA TYR C 60 1.128 -0.235 -11.192 1.00 0.00 H new ATOM 0 HB2 TYR C 60 3.175 1.965 -10.912 1.00 0.00 H new ATOM 0 HB3 TYR C 60 1.583 2.410 -11.497 1.00 0.00 H new ATOM 0 HD1 TYR C 60 1.815 -0.533 -9.345 1.00 0.00 H new ATOM 0 HD2 TYR C 60 1.233 3.680 -9.344 1.00 0.00 H new ATOM 0 HE1 TYR C 60 0.946 -0.653 -7.056 1.00 0.00 H new ATOM 0 HE2 TYR C 60 0.366 3.559 -7.053 1.00 0.00 H new ATOM 0 HH TYR C 60 0.501 0.606 -5.152 1.00 0.00 H new ATOM 822 N VAL C 61 2.706 -0.021 -13.906 1.00 0.00 N ATOM 823 CA VAL C 61 2.560 0.139 -15.382 1.00 0.00 C ATOM 824 C VAL C 61 2.964 -1.159 -16.085 1.00 0.00 C ATOM 825 O VAL C 61 3.552 -2.044 -15.496 1.00 0.00 O ATOM 826 CB VAL C 61 3.451 1.292 -15.862 1.00 0.00 C ATOM 827 CG1 VAL C 61 4.796 1.236 -15.135 1.00 0.00 C ATOM 828 CG2 VAL C 61 3.686 1.192 -17.372 1.00 0.00 C ATOM 0 H VAL C 61 3.537 -0.530 -13.603 1.00 0.00 H new ATOM 0 HA VAL C 61 1.521 0.364 -15.621 1.00 0.00 H new ATOM 0 HB VAL C 61 2.951 2.236 -15.643 1.00 0.00 H new ATOM 0 HG11 VAL C 61 5.429 2.055 -15.476 1.00 0.00 H new ATOM 0 HG12 VAL C 61 4.633 1.327 -14.061 1.00 0.00 H new ATOM 0 HG13 VAL C 61 5.286 0.286 -15.349 1.00 0.00 H new ATOM 0 HG21 VAL C 61 4.320 2.017 -17.697 1.00 0.00 H new ATOM 0 HG22 VAL C 61 4.176 0.246 -17.602 1.00 0.00 H new ATOM 0 HG23 VAL C 61 2.730 1.242 -17.893 1.00 0.00 H new ATOM 838 N ALA C 62 2.648 -1.272 -17.344 1.00 0.00 N ATOM 839 CA ALA C 62 3.006 -2.505 -18.102 1.00 0.00 C ATOM 840 C ALA C 62 2.852 -2.240 -19.603 1.00 0.00 C ATOM 841 O ALA C 62 2.007 -1.468 -20.009 1.00 0.00 O ATOM 842 CB ALA C 62 2.077 -3.648 -17.688 1.00 0.00 C ATOM 0 H ALA C 62 2.155 -0.561 -17.884 1.00 0.00 H new ATOM 0 HA ALA C 62 4.038 -2.780 -17.883 1.00 0.00 H new ATOM 0 HB1 ALA C 62 2.339 -4.549 -18.243 1.00 0.00 H new ATOM 0 HB2 ALA C 62 2.184 -3.835 -16.620 1.00 0.00 H new ATOM 0 HB3 ALA C 62 1.045 -3.375 -17.907 1.00 0.00 H new ATOM 848 N PRO C 63 3.675 -2.895 -20.384 1.00 0.00 N ATOM 849 CA PRO C 63 3.651 -2.747 -21.850 1.00 0.00 C ATOM 850 C PRO C 63 2.285 -3.165 -22.403 1.00 0.00 C ATOM 851 O PRO C 63 1.702 -4.140 -21.972 1.00 0.00 O ATOM 852 CB PRO C 63 4.751 -3.688 -22.359 1.00 0.00 C ATOM 853 CG PRO C 63 5.402 -4.364 -21.124 1.00 0.00 C ATOM 854 CD PRO C 63 4.690 -3.833 -19.870 1.00 0.00 C ATOM 0 HA PRO C 63 3.817 -1.717 -22.165 1.00 0.00 H new ATOM 0 HB2 PRO C 63 4.332 -4.439 -23.029 1.00 0.00 H new ATOM 0 HB3 PRO C 63 5.496 -3.133 -22.928 1.00 0.00 H new ATOM 0 HG2 PRO C 63 5.307 -5.448 -21.187 1.00 0.00 H new ATOM 0 HG3 PRO C 63 6.468 -4.139 -21.083 1.00 0.00 H new ATOM 0 HD2 PRO C 63 4.230 -4.643 -19.303 1.00 0.00 H new ATOM 0 HD3 PRO C 63 5.389 -3.332 -19.200 1.00 0.00 H new ATOM 862 N SER C 64 1.770 -2.434 -23.353 1.00 0.00 N ATOM 863 CA SER C 64 0.444 -2.789 -23.932 1.00 0.00 C ATOM 864 C SER C 64 0.562 -2.892 -25.454 1.00 0.00 C ATOM 865 O SER C 64 0.116 -3.889 -25.997 1.00 0.00 O ATOM 866 CB SER C 64 -0.576 -1.707 -23.573 1.00 0.00 C ATOM 867 OG SER C 64 -1.779 -2.318 -23.129 1.00 0.00 O ATOM 868 OXT SER C 64 1.097 -1.972 -26.050 1.00 0.00 O ATOM 0 H SER C 64 2.211 -1.606 -23.753 1.00 0.00 H new ATOM 0 HA SER C 64 0.117 -3.747 -23.527 1.00 0.00 H new ATOM 0 HB2 SER C 64 -0.175 -1.059 -22.793 1.00 0.00 H new ATOM 0 HB3 SER C 64 -0.774 -1.077 -24.440 1.00 0.00 H new ATOM 0 HG SER C 64 -2.432 -1.625 -22.897 1.00 0.00 H new ATOM 875 N ARG R 71 14.259 1.874 -1.926 1.00 0.00 N ATOM 876 CA ARG R 71 12.964 2.447 -2.390 1.00 0.00 C ATOM 877 C ARG R 71 11.978 1.313 -2.675 1.00 0.00 C ATOM 878 O ARG R 71 11.757 0.940 -3.810 1.00 0.00 O ATOM 879 CB ARG R 71 13.194 3.259 -3.667 1.00 0.00 C ATOM 880 CG ARG R 71 12.188 4.410 -3.727 1.00 0.00 C ATOM 881 CD ARG R 71 12.409 5.343 -2.534 1.00 0.00 C ATOM 882 NE ARG R 71 12.581 6.740 -3.022 1.00 0.00 N ATOM 883 CZ ARG R 71 11.544 7.429 -3.420 1.00 0.00 C ATOM 884 NH1 ARG R 71 10.352 6.896 -3.390 1.00 0.00 N ATOM 885 NH2 ARG R 71 11.699 8.651 -3.848 1.00 0.00 N ATOM 0 HA ARG R 71 12.555 3.097 -1.616 1.00 0.00 H new ATOM 0 HB2 ARG R 71 14.211 3.650 -3.684 1.00 0.00 H new ATOM 0 HB3 ARG R 71 13.084 2.619 -4.543 1.00 0.00 H new ATOM 0 HG2 ARG R 71 12.305 4.961 -4.660 1.00 0.00 H new ATOM 0 HG3 ARG R 71 11.171 4.019 -3.713 1.00 0.00 H new ATOM 0 HD2 ARG R 71 11.560 5.286 -1.852 1.00 0.00 H new ATOM 0 HD3 ARG R 71 13.290 5.031 -1.973 1.00 0.00 H new ATOM 0 HE ARG R 71 13.510 7.160 -3.046 1.00 0.00 H new ATOM 0 HH11 ARG R 71 10.229 5.940 -3.055 1.00 0.00 H new ATOM 0 HH12 ARG R 71 9.544 7.435 -3.701 1.00 0.00 H new ATOM 0 HH21 ARG R 71 12.629 9.069 -3.872 1.00 0.00 H new ATOM 0 HH22 ARG R 71 10.890 9.189 -4.159 1.00 0.00 H new ATOM 901 N ALA R 72 11.384 0.761 -1.652 1.00 0.00 N ATOM 902 CA ALA R 72 10.413 -0.349 -1.862 1.00 0.00 C ATOM 903 C ALA R 72 9.327 0.101 -2.842 1.00 0.00 C ATOM 904 O ALA R 72 8.986 1.265 -2.916 1.00 0.00 O ATOM 905 CB ALA R 72 9.769 -0.723 -0.525 1.00 0.00 C ATOM 0 H ALA R 72 11.530 1.031 -0.679 1.00 0.00 H new ATOM 0 HA ALA R 72 10.934 -1.215 -2.270 1.00 0.00 H new ATOM 0 HB1 ALA R 72 9.058 -1.535 -0.678 1.00 0.00 H new ATOM 0 HB2 ALA R 72 10.542 -1.044 0.174 1.00 0.00 H new ATOM 0 HB3 ALA R 72 9.248 0.143 -0.117 1.00 0.00 H new ATOM 911 N LEU R 73 8.779 -0.814 -3.595 1.00 0.00 N ATOM 912 CA LEU R 73 7.716 -0.440 -4.570 1.00 0.00 C ATOM 913 C LEU R 73 6.468 0.023 -3.811 1.00 0.00 C ATOM 914 O LEU R 73 6.309 -0.275 -2.643 1.00 0.00 O ATOM 915 CB LEU R 73 7.368 -1.654 -5.434 1.00 0.00 C ATOM 916 CG LEU R 73 8.458 -1.858 -6.488 1.00 0.00 C ATOM 917 CD1 LEU R 73 8.551 -3.343 -6.845 1.00 0.00 C ATOM 918 CD2 LEU R 73 8.112 -1.053 -7.742 1.00 0.00 C ATOM 0 H LEU R 73 9.022 -1.804 -3.577 1.00 0.00 H new ATOM 0 HA LEU R 73 8.074 0.369 -5.207 1.00 0.00 H new ATOM 0 HB2 LEU R 73 7.278 -2.544 -4.811 1.00 0.00 H new ATOM 0 HB3 LEU R 73 6.403 -1.505 -5.918 1.00 0.00 H new ATOM 0 HG LEU R 73 9.415 -1.519 -6.091 1.00 0.00 H new ATOM 0 HD11 LEU R 73 9.327 -3.489 -7.596 1.00 0.00 H new ATOM 0 HD12 LEU R 73 8.798 -3.917 -5.952 1.00 0.00 H new ATOM 0 HD13 LEU R 73 7.594 -3.682 -7.242 1.00 0.00 H new ATOM 0 HD21 LEU R 73 8.888 -1.198 -8.493 1.00 0.00 H new ATOM 0 HD22 LEU R 73 7.155 -1.392 -8.139 1.00 0.00 H new ATOM 0 HD23 LEU R 73 8.046 0.005 -7.488 1.00 0.00 H new ATOM 930 N PRO R 74 5.615 0.739 -4.501 1.00 0.00 N ATOM 931 CA PRO R 74 4.368 1.258 -3.913 1.00 0.00 C ATOM 932 C PRO R 74 3.452 0.097 -3.502 1.00 0.00 C ATOM 933 O PRO R 74 3.351 -0.886 -4.210 1.00 0.00 O ATOM 934 CB PRO R 74 3.721 2.082 -5.028 1.00 0.00 C ATOM 935 CG PRO R 74 4.609 1.947 -6.293 1.00 0.00 C ATOM 936 CD PRO R 74 5.827 1.087 -5.918 1.00 0.00 C ATOM 0 HA PRO R 74 4.548 1.852 -3.017 1.00 0.00 H new ATOM 0 HB2 PRO R 74 2.711 1.725 -5.230 1.00 0.00 H new ATOM 0 HB3 PRO R 74 3.636 3.127 -4.731 1.00 0.00 H new ATOM 0 HG2 PRO R 74 4.049 1.484 -7.106 1.00 0.00 H new ATOM 0 HG3 PRO R 74 4.927 2.929 -6.644 1.00 0.00 H new ATOM 0 HD2 PRO R 74 5.889 0.194 -6.540 1.00 0.00 H new ATOM 0 HD3 PRO R 74 6.758 1.637 -6.056 1.00 0.00 H new ATOM 944 N PRO R 75 2.811 0.243 -2.368 1.00 0.00 N ATOM 945 CA PRO R 75 1.898 -0.789 -1.846 1.00 0.00 C ATOM 946 C PRO R 75 0.710 -0.969 -2.795 1.00 0.00 C ATOM 947 O PRO R 75 0.192 -0.017 -3.345 1.00 0.00 O ATOM 948 CB PRO R 75 1.424 -0.249 -0.491 1.00 0.00 C ATOM 949 CG PRO R 75 2.066 1.148 -0.290 1.00 0.00 C ATOM 950 CD PRO R 75 2.949 1.437 -1.515 1.00 0.00 C ATOM 0 HA PRO R 75 2.382 -1.761 -1.752 1.00 0.00 H new ATOM 0 HB2 PRO R 75 0.337 -0.177 -0.467 1.00 0.00 H new ATOM 0 HB3 PRO R 75 1.717 -0.924 0.313 1.00 0.00 H new ATOM 0 HG2 PRO R 75 1.295 1.912 -0.185 1.00 0.00 H new ATOM 0 HG3 PRO R 75 2.661 1.168 0.623 1.00 0.00 H new ATOM 0 HD2 PRO R 75 2.620 2.336 -2.036 1.00 0.00 H new ATOM 0 HD3 PRO R 75 3.987 1.598 -1.225 1.00 0.00 H new ATOM 958 N LEU R 76 0.276 -2.183 -2.992 1.00 0.00 N ATOM 959 CA LEU R 76 -0.877 -2.422 -3.905 1.00 0.00 C ATOM 960 C LEU R 76 -2.123 -1.730 -3.340 1.00 0.00 C ATOM 961 O LEU R 76 -2.174 -1.413 -2.169 1.00 0.00 O ATOM 962 CB LEU R 76 -1.130 -3.926 -4.016 1.00 0.00 C ATOM 963 CG LEU R 76 -0.075 -4.552 -4.931 1.00 0.00 C ATOM 964 CD1 LEU R 76 -0.267 -6.069 -4.968 1.00 0.00 C ATOM 965 CD2 LEU R 76 -0.224 -3.984 -6.344 1.00 0.00 C ATOM 0 H LEU R 76 0.669 -3.019 -2.561 1.00 0.00 H new ATOM 0 HA LEU R 76 -0.655 -2.018 -4.893 1.00 0.00 H new ATOM 0 HB2 LEU R 76 -1.091 -4.387 -3.029 1.00 0.00 H new ATOM 0 HB3 LEU R 76 -2.128 -4.110 -4.414 1.00 0.00 H new ATOM 0 HG LEU R 76 0.920 -4.321 -4.550 1.00 0.00 H new ATOM 0 HD11 LEU R 76 0.484 -6.515 -5.620 1.00 0.00 H new ATOM 0 HD12 LEU R 76 -0.161 -6.474 -3.962 1.00 0.00 H new ATOM 0 HD13 LEU R 76 -1.262 -6.301 -5.349 1.00 0.00 H new ATOM 0 HD21 LEU R 76 0.527 -4.429 -6.996 1.00 0.00 H new ATOM 0 HD22 LEU R 76 -1.219 -4.214 -6.726 1.00 0.00 H new ATOM 0 HD23 LEU R 76 -0.087 -2.903 -6.318 1.00 0.00 H new