USER MOD reduce.3.24.130724 H: found=0, std=0, add=423, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 423 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 100 CYS SG : rot -106:sc= 0.87 USER MOD Set 1.2: A 113 SER OG : rot 72:sc= 0.567 USER MOD Set 2.1: A 94 ASN : amide:sc= -10! C(o=-13!,f=-7!) USER MOD Set 2.2: A 96 ASN : amide:sc= -2.92! K(o=-13!,f=-7) USER MOD Single : A 64 SER OG : rot 160:sc= -0.625 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 82:sc= 1.19 USER MOD Single : A 78 ASN : amide:sc= -4.56! C(o=-4.6!,f=-4.3!) USER MOD Single : A 79 THR OG1 : rot 130:sc= -0.356 USER MOD Single : A 81 SER OG : rot -44:sc= 0.25 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 107:sc= 1.56 USER MOD Single : A 95 HIS : no HD1:sc= -0.885 X(o=-0.88,f=-0.39) USER MOD Single : A 103 GLN : amide:sc= -0.063 X(o=-0.063,f=-0.51) USER MOD Single : A 104 THR OG1 : rot 4:sc= -5.53! USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 ASN : amide:sc= -1.46! C(o=-1.5!,f=-2.6!) USER MOD Single : A 108 GLN : amide:sc= -0.722 K(o=-0.72,f=-3.3!) USER MOD Single : A 114 ASN : amide:sc= -7.9! C(o=-7.9!,f=-15!) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 THR OG1 : rot 180:sc= -1.23 USER MOD Single : A 120 SER OG : rot 62:sc= 1.18 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 64 1.325 0.000 0.000 1.00 1.00 N ATOM 2 CA SER A 64 2.073 0.000 -1.245 1.00 1.00 C ATOM 3 C SER A 64 3.575 0.000 -0.953 1.00 1.00 C ATOM 4 O SER A 64 3.986 0.000 0.206 1.00 1.00 O ATOM 5 CB SER A 64 1.701 1.205 -2.112 1.00 1.00 C ATOM 6 OG SER A 64 2.424 1.224 -3.339 1.00 1.00 O ATOM 0 HA SER A 64 1.816 -0.904 -1.798 1.00 1.00 H new ATOM 0 HB2 SER A 64 0.632 1.184 -2.322 1.00 1.00 H new ATOM 0 HB3 SER A 64 1.900 2.124 -1.560 1.00 1.00 H new ATOM 0 HG SER A 64 1.955 1.790 -3.987 1.00 1.00 H new ATOM 12 N LEU A 65 4.354 0.000 -2.025 1.00 1.00 N ATOM 13 CA LEU A 65 5.801 0.000 -1.899 1.00 1.00 C ATOM 14 C LEU A 65 6.368 1.249 -2.577 1.00 1.00 C ATOM 15 O LEU A 65 5.615 2.106 -3.036 1.00 1.00 O ATOM 16 CB LEU A 65 6.386 -1.309 -2.433 1.00 1.00 C ATOM 17 CG LEU A 65 6.100 -2.561 -1.601 1.00 1.00 C ATOM 18 CD1 LEU A 65 6.510 -2.354 -0.141 1.00 1.00 C ATOM 19 CD2 LEU A 65 4.635 -2.982 -1.730 1.00 1.00 C ATOM 0 H LEU A 65 4.010 0.000 -2.985 1.00 1.00 H new ATOM 0 HA LEU A 65 6.092 0.047 -0.849 1.00 1.00 H new ATOM 0 HB2 LEU A 65 6.002 -1.471 -3.440 1.00 1.00 H new ATOM 0 HB3 LEU A 65 7.466 -1.193 -2.518 1.00 1.00 H new ATOM 0 HG LEU A 65 6.706 -3.378 -1.993 1.00 1.00 H new ATOM 0 HD11 LEU A 65 6.296 -3.258 0.429 1.00 1.00 H new ATOM 0 HD12 LEU A 65 7.577 -2.137 -0.090 1.00 1.00 H new ATOM 0 HD13 LEU A 65 5.949 -1.519 0.280 1.00 1.00 H new ATOM 0 HD21 LEU A 65 4.459 -3.874 -1.129 1.00 1.00 H new ATOM 0 HD22 LEU A 65 3.992 -2.175 -1.379 1.00 1.00 H new ATOM 0 HD23 LEU A 65 4.409 -3.197 -2.774 1.00 1.00 H new ATOM 31 N PHE A 66 7.691 1.311 -2.619 1.00 1.00 N ATOM 32 CA PHE A 66 8.368 2.441 -3.234 1.00 1.00 C ATOM 33 C PHE A 66 9.090 2.017 -4.514 1.00 1.00 C ATOM 34 O PHE A 66 9.311 0.829 -4.742 1.00 1.00 O ATOM 35 CB PHE A 66 9.400 2.947 -2.224 1.00 1.00 C ATOM 36 CG PHE A 66 8.860 3.086 -0.799 1.00 1.00 C ATOM 37 CD1 PHE A 66 8.670 1.979 -0.033 1.00 1.00 C ATOM 38 CD2 PHE A 66 8.571 4.318 -0.299 1.00 1.00 C ATOM 39 CE1 PHE A 66 8.169 2.108 1.289 1.00 1.00 C ATOM 40 CE2 PHE A 66 8.070 4.446 1.024 1.00 1.00 C ATOM 41 CZ PHE A 66 7.879 3.339 1.790 1.00 1.00 C ATOM 0 H PHE A 66 8.312 0.598 -2.237 1.00 1.00 H new ATOM 0 HA PHE A 66 7.643 3.212 -3.496 1.00 1.00 H new ATOM 0 HB2 PHE A 66 10.249 2.264 -2.215 1.00 1.00 H new ATOM 0 HB3 PHE A 66 9.774 3.916 -2.556 1.00 1.00 H new ATOM 0 HD1 PHE A 66 8.900 1.001 -0.430 1.00 1.00 H new ATOM 0 HD2 PHE A 66 8.722 5.197 -0.907 1.00 1.00 H new ATOM 0 HE1 PHE A 66 8.018 1.228 1.897 1.00 1.00 H new ATOM 0 HE2 PHE A 66 7.841 5.424 1.422 1.00 1.00 H new ATOM 0 HZ PHE A 66 7.497 3.437 2.796 1.00 1.00 H new ATOM 51 N VAL A 67 9.438 3.012 -5.317 1.00 1.00 N ATOM 52 CA VAL A 67 10.130 2.758 -6.568 1.00 1.00 C ATOM 53 C VAL A 67 11.465 3.506 -6.569 1.00 1.00 C ATOM 54 O VAL A 67 11.578 4.580 -5.981 1.00 1.00 O ATOM 55 CB VAL A 67 9.233 3.134 -7.749 1.00 1.00 C ATOM 56 CG1 VAL A 67 8.422 1.928 -8.228 1.00 1.00 C ATOM 57 CG2 VAL A 67 8.315 4.304 -7.389 1.00 1.00 C ATOM 0 H VAL A 67 9.253 3.996 -5.125 1.00 1.00 H new ATOM 0 HA VAL A 67 10.352 1.696 -6.672 1.00 1.00 H new ATOM 0 HB VAL A 67 9.876 3.452 -8.570 1.00 1.00 H new ATOM 0 HG11 VAL A 67 7.793 2.223 -9.068 1.00 1.00 H new ATOM 0 HG12 VAL A 67 9.100 1.135 -8.543 1.00 1.00 H new ATOM 0 HG13 VAL A 67 7.794 1.565 -7.414 1.00 1.00 H new ATOM 0 HG21 VAL A 67 7.688 4.551 -8.246 1.00 1.00 H new ATOM 0 HG22 VAL A 67 7.684 4.025 -6.546 1.00 1.00 H new ATOM 0 HG23 VAL A 67 8.919 5.170 -7.119 1.00 1.00 H new ATOM 67 N ALA A 68 12.441 2.908 -7.235 1.00 1.00 N ATOM 68 CA ALA A 68 13.764 3.504 -7.321 1.00 1.00 C ATOM 69 C ALA A 68 13.707 4.734 -8.230 1.00 1.00 C ATOM 70 O ALA A 68 13.286 4.639 -9.382 1.00 1.00 O ATOM 71 CB ALA A 68 14.765 2.459 -7.816 1.00 1.00 C ATOM 0 H ALA A 68 12.343 2.016 -7.721 1.00 1.00 H new ATOM 0 HA ALA A 68 14.099 3.836 -6.338 1.00 1.00 H new ATOM 0 HB1 ALA A 68 15.757 2.907 -7.880 1.00 1.00 H new ATOM 0 HB2 ALA A 68 14.790 1.621 -7.120 1.00 1.00 H new ATOM 0 HB3 ALA A 68 14.463 2.104 -8.801 1.00 1.00 H new ATOM 77 N LEU A 69 14.135 5.859 -7.678 1.00 1.00 N ATOM 78 CA LEU A 69 14.138 7.105 -8.425 1.00 1.00 C ATOM 79 C LEU A 69 15.369 7.147 -9.333 1.00 1.00 C ATOM 80 O LEU A 69 15.266 6.903 -10.535 1.00 1.00 O ATOM 81 CB LEU A 69 14.035 8.300 -7.475 1.00 1.00 C ATOM 82 CG LEU A 69 12.951 9.328 -7.805 1.00 1.00 C ATOM 83 CD1 LEU A 69 12.672 10.236 -6.606 1.00 1.00 C ATOM 84 CD2 LEU A 69 13.317 10.127 -9.057 1.00 1.00 C ATOM 0 H LEU A 69 14.482 5.934 -6.722 1.00 1.00 H new ATOM 0 HA LEU A 69 13.262 7.164 -9.071 1.00 1.00 H new ATOM 0 HB2 LEU A 69 13.856 7.924 -6.468 1.00 1.00 H new ATOM 0 HB3 LEU A 69 14.998 8.810 -7.459 1.00 1.00 H new ATOM 0 HG LEU A 69 12.027 8.792 -8.023 1.00 1.00 H new ATOM 0 HD11 LEU A 69 11.898 10.957 -6.868 1.00 1.00 H new ATOM 0 HD12 LEU A 69 12.335 9.632 -5.763 1.00 1.00 H new ATOM 0 HD13 LEU A 69 13.584 10.766 -6.331 1.00 1.00 H new ATOM 0 HD21 LEU A 69 12.530 10.851 -9.270 1.00 1.00 H new ATOM 0 HD22 LEU A 69 14.258 10.652 -8.891 1.00 1.00 H new ATOM 0 HD23 LEU A 69 13.424 9.448 -9.903 1.00 1.00 H new ATOM 96 N TYR A 70 16.504 7.459 -8.725 1.00 1.00 N ATOM 97 CA TYR A 70 17.752 7.537 -9.464 1.00 1.00 C ATOM 98 C TYR A 70 18.607 6.290 -9.229 1.00 1.00 C ATOM 99 O TYR A 70 18.304 5.482 -8.352 1.00 1.00 O ATOM 100 CB TYR A 70 18.492 8.758 -8.915 1.00 1.00 C ATOM 101 CG TYR A 70 17.964 10.094 -9.442 1.00 1.00 C ATOM 102 CD1 TYR A 70 18.455 10.613 -10.623 1.00 1.00 C ATOM 103 CD2 TYR A 70 16.997 10.780 -8.737 1.00 1.00 C ATOM 104 CE1 TYR A 70 17.958 11.870 -11.119 1.00 1.00 C ATOM 105 CE2 TYR A 70 16.500 12.037 -9.233 1.00 1.00 C ATOM 106 CZ TYR A 70 17.005 12.520 -10.399 1.00 1.00 C ATOM 107 OH TYR A 70 16.535 13.708 -10.868 1.00 1.00 O ATOM 0 H TYR A 70 16.585 7.661 -7.728 1.00 1.00 H new ATOM 0 HA TYR A 70 17.560 7.611 -10.534 1.00 1.00 H new ATOM 0 HB2 TYR A 70 18.421 8.754 -7.827 1.00 1.00 H new ATOM 0 HB3 TYR A 70 19.549 8.672 -9.166 1.00 1.00 H new ATOM 0 HD1 TYR A 70 19.212 10.076 -11.175 1.00 1.00 H new ATOM 0 HD2 TYR A 70 16.613 10.374 -7.813 1.00 1.00 H new ATOM 0 HE1 TYR A 70 18.333 12.287 -12.042 1.00 1.00 H new ATOM 0 HE2 TYR A 70 15.743 12.584 -8.691 1.00 1.00 H new ATOM 0 HH TYR A 70 15.858 14.058 -10.252 1.00 1.00 H new ATOM 117 N ASP A 71 19.657 6.172 -10.028 1.00 1.00 N ATOM 118 CA ASP A 71 20.558 5.037 -9.917 1.00 1.00 C ATOM 119 C ASP A 71 21.620 5.335 -8.858 1.00 1.00 C ATOM 120 O ASP A 71 21.738 6.468 -8.394 1.00 1.00 O ATOM 121 CB ASP A 71 21.274 4.771 -11.243 1.00 1.00 C ATOM 122 CG ASP A 71 22.771 4.479 -11.123 1.00 1.00 C ATOM 123 OD1 ASP A 71 23.541 5.463 -11.108 1.00 1.00 O ATOM 124 OD2 ASP A 71 23.111 3.279 -11.047 1.00 1.00 O ATOM 0 H ASP A 71 19.904 6.843 -10.755 1.00 1.00 H new ATOM 0 HA ASP A 71 19.967 4.163 -9.644 1.00 1.00 H new ATOM 0 HB2 ASP A 71 20.793 3.926 -11.735 1.00 1.00 H new ATOM 0 HB3 ASP A 71 21.139 5.637 -11.891 1.00 1.00 H new ATOM 129 N PHE A 72 22.367 4.299 -8.506 1.00 1.00 N ATOM 130 CA PHE A 72 23.416 4.436 -7.510 1.00 1.00 C ATOM 131 C PHE A 72 24.797 4.462 -8.168 1.00 1.00 C ATOM 132 O PHE A 72 25.015 3.811 -9.189 1.00 1.00 O ATOM 133 CB PHE A 72 23.324 3.215 -6.593 1.00 1.00 C ATOM 134 CG PHE A 72 24.661 2.797 -5.977 1.00 1.00 C ATOM 135 CD1 PHE A 72 25.546 2.065 -6.704 1.00 1.00 C ATOM 136 CD2 PHE A 72 24.963 3.159 -4.701 1.00 1.00 C ATOM 137 CE1 PHE A 72 26.787 1.678 -6.132 1.00 1.00 C ATOM 138 CE2 PHE A 72 26.204 2.772 -4.129 1.00 1.00 C ATOM 139 CZ PHE A 72 27.090 2.039 -4.856 1.00 1.00 C ATOM 0 H PHE A 72 22.267 3.361 -8.893 1.00 1.00 H new ATOM 0 HA PHE A 72 23.288 5.368 -6.960 1.00 1.00 H new ATOM 0 HB2 PHE A 72 22.617 3.428 -5.791 1.00 1.00 H new ATOM 0 HB3 PHE A 72 22.919 2.377 -7.160 1.00 1.00 H new ATOM 0 HD1 PHE A 72 25.305 1.778 -7.717 1.00 1.00 H new ATOM 0 HD2 PHE A 72 24.260 3.740 -4.123 1.00 1.00 H new ATOM 0 HE1 PHE A 72 27.490 1.097 -6.710 1.00 1.00 H new ATOM 0 HE2 PHE A 72 26.445 3.060 -3.116 1.00 1.00 H new ATOM 0 HZ PHE A 72 28.033 1.744 -4.420 1.00 1.00 H new ATOM 149 N VAL A 73 25.694 5.221 -7.557 1.00 1.00 N ATOM 150 CA VAL A 73 27.048 5.340 -8.070 1.00 1.00 C ATOM 151 C VAL A 73 27.981 4.447 -7.250 1.00 1.00 C ATOM 152 O VAL A 73 27.706 4.159 -6.086 1.00 1.00 O ATOM 153 CB VAL A 73 27.478 6.809 -8.075 1.00 1.00 C ATOM 154 CG1 VAL A 73 28.950 6.948 -8.471 1.00 1.00 C ATOM 155 CG2 VAL A 73 26.582 7.639 -8.996 1.00 1.00 C ATOM 0 H VAL A 73 25.510 5.760 -6.711 1.00 1.00 H new ATOM 0 HA VAL A 73 27.096 4.997 -9.103 1.00 1.00 H new ATOM 0 HB VAL A 73 27.366 7.195 -7.062 1.00 1.00 H new ATOM 0 HG11 VAL A 73 29.230 8.001 -8.467 1.00 1.00 H new ATOM 0 HG12 VAL A 73 29.571 6.405 -7.759 1.00 1.00 H new ATOM 0 HG13 VAL A 73 29.098 6.537 -9.470 1.00 1.00 H new ATOM 0 HG21 VAL A 73 26.909 8.679 -8.981 1.00 1.00 H new ATOM 0 HG22 VAL A 73 26.648 7.252 -10.013 1.00 1.00 H new ATOM 0 HG23 VAL A 73 25.550 7.578 -8.651 1.00 1.00 H new ATOM 165 N ALA A 74 29.065 4.033 -7.889 1.00 1.00 N ATOM 166 CA ALA A 74 30.040 3.178 -7.233 1.00 1.00 C ATOM 167 C ALA A 74 30.310 3.708 -5.824 1.00 1.00 C ATOM 168 O ALA A 74 30.610 4.888 -5.648 1.00 1.00 O ATOM 169 CB ALA A 74 31.310 3.107 -8.083 1.00 1.00 C ATOM 0 H ALA A 74 29.290 4.274 -8.854 1.00 1.00 H new ATOM 0 HA ALA A 74 29.656 2.163 -7.135 1.00 1.00 H new ATOM 0 HB1 ALA A 74 32.042 2.466 -7.591 1.00 1.00 H new ATOM 0 HB2 ALA A 74 31.069 2.697 -9.064 1.00 1.00 H new ATOM 0 HB3 ALA A 74 31.726 4.108 -8.200 1.00 1.00 H new ATOM 175 N SER A 75 30.195 2.811 -4.856 1.00 1.00 N ATOM 176 CA SER A 75 30.423 3.174 -3.468 1.00 1.00 C ATOM 177 C SER A 75 30.955 1.967 -2.692 1.00 1.00 C ATOM 178 O SER A 75 31.219 0.917 -3.276 1.00 1.00 O ATOM 179 CB SER A 75 29.142 3.700 -2.818 1.00 1.00 C ATOM 180 OG SER A 75 28.588 4.796 -3.541 1.00 1.00 O ATOM 0 H SER A 75 29.947 1.833 -5.006 1.00 1.00 H new ATOM 0 HA SER A 75 31.165 3.972 -3.441 1.00 1.00 H new ATOM 0 HB2 SER A 75 28.408 2.896 -2.760 1.00 1.00 H new ATOM 0 HB3 SER A 75 29.356 4.011 -1.795 1.00 1.00 H new ATOM 0 HG SER A 75 28.059 4.458 -4.293 1.00 1.00 H new ATOM 186 N GLY A 76 31.095 2.157 -1.388 1.00 1.00 N ATOM 187 CA GLY A 76 31.590 1.097 -0.527 1.00 1.00 C ATOM 188 C GLY A 76 30.980 1.197 0.873 1.00 1.00 C ATOM 189 O GLY A 76 30.317 2.182 1.195 1.00 1.00 O ATOM 0 H GLY A 76 30.874 3.029 -0.907 1.00 1.00 H new ATOM 0 HA2 GLY A 76 31.350 0.127 -0.964 1.00 1.00 H new ATOM 0 HA3 GLY A 76 32.676 1.156 -0.459 1.00 1.00 H new ATOM 193 N ASP A 77 31.225 0.165 1.666 1.00 1.00 N ATOM 194 CA ASP A 77 30.708 0.125 3.023 1.00 1.00 C ATOM 195 C ASP A 77 29.183 0.246 2.987 1.00 1.00 C ATOM 196 O ASP A 77 28.649 1.322 2.721 1.00 1.00 O ATOM 197 CB ASP A 77 31.255 1.286 3.856 1.00 1.00 C ATOM 198 CG ASP A 77 32.780 1.411 3.867 1.00 1.00 C ATOM 199 OD1 ASP A 77 33.417 0.545 4.504 1.00 1.00 O ATOM 200 OD2 ASP A 77 33.275 2.371 3.237 1.00 1.00 O ATOM 0 H ASP A 77 31.775 -0.650 1.395 1.00 1.00 H new ATOM 0 HA ASP A 77 31.017 -0.818 3.473 1.00 1.00 H new ATOM 0 HB2 ASP A 77 30.832 2.216 3.477 1.00 1.00 H new ATOM 0 HB3 ASP A 77 30.907 1.172 4.883 1.00 1.00 H new ATOM 205 N ASN A 78 28.526 -0.872 3.258 1.00 1.00 N ATOM 206 CA ASN A 78 27.073 -0.904 3.260 1.00 1.00 C ATOM 207 C ASN A 78 26.547 -0.051 2.104 1.00 1.00 C ATOM 208 O ASN A 78 26.174 1.105 2.300 1.00 1.00 O ATOM 209 CB ASN A 78 26.511 -0.333 4.563 1.00 1.00 C ATOM 210 CG ASN A 78 27.153 1.017 4.892 1.00 1.00 C ATOM 211 OD1 ASN A 78 26.717 2.066 4.447 1.00 1.00 O ATOM 212 ND2 ASN A 78 28.211 0.931 5.694 1.00 1.00 N ATOM 0 H ASN A 78 28.973 -1.762 3.478 1.00 1.00 H new ATOM 0 HA ASN A 78 26.759 -1.943 3.157 1.00 1.00 H new ATOM 0 HB2 ASN A 78 25.431 -0.215 4.476 1.00 1.00 H new ATOM 0 HB3 ASN A 78 26.691 -1.034 5.379 1.00 1.00 H new ATOM 0 HD21 ASN A 78 28.710 1.776 5.972 1.00 1.00 H new ATOM 0 HD22 ASN A 78 28.523 0.020 6.031 1.00 1.00 H new ATOM 219 N THR A 79 26.534 -0.653 0.924 1.00 1.00 N ATOM 220 CA THR A 79 26.060 0.037 -0.264 1.00 1.00 C ATOM 221 C THR A 79 25.194 -0.896 -1.112 1.00 1.00 C ATOM 222 O THR A 79 25.167 -2.104 -0.883 1.00 1.00 O ATOM 223 CB THR A 79 27.278 0.583 -1.012 1.00 1.00 C ATOM 224 OG1 THR A 79 27.073 1.993 -1.027 1.00 1.00 O ATOM 225 CG2 THR A 79 27.282 0.190 -2.490 1.00 1.00 C ATOM 0 H THR A 79 26.844 -1.612 0.765 1.00 1.00 H new ATOM 0 HA THR A 79 25.418 0.878 -0.003 1.00 1.00 H new ATOM 0 HB THR A 79 28.189 0.218 -0.538 1.00 1.00 H new ATOM 0 HG1 THR A 79 27.885 2.445 -0.715 1.00 1.00 H new ATOM 0 HG21 THR A 79 28.167 0.603 -2.974 1.00 1.00 H new ATOM 0 HG22 THR A 79 27.294 -0.896 -2.578 1.00 1.00 H new ATOM 0 HG23 THR A 79 26.388 0.583 -2.973 1.00 1.00 H new ATOM 233 N LEU A 80 24.506 -0.299 -2.076 1.00 1.00 N ATOM 234 CA LEU A 80 23.641 -1.062 -2.960 1.00 1.00 C ATOM 235 C LEU A 80 23.852 -0.593 -4.401 1.00 1.00 C ATOM 236 O LEU A 80 23.605 0.569 -4.722 1.00 1.00 O ATOM 237 CB LEU A 80 22.187 -0.977 -2.491 1.00 1.00 C ATOM 238 CG LEU A 80 21.323 -2.210 -2.760 1.00 1.00 C ATOM 239 CD1 LEU A 80 19.977 -2.104 -2.039 1.00 1.00 C ATOM 240 CD2 LEU A 80 21.152 -2.443 -4.262 1.00 1.00 C ATOM 0 H LEU A 80 24.530 0.703 -2.264 1.00 1.00 H new ATOM 0 HA LEU A 80 23.900 -2.120 -2.928 1.00 1.00 H new ATOM 0 HB2 LEU A 80 22.183 -0.782 -1.419 1.00 1.00 H new ATOM 0 HB3 LEU A 80 21.720 -0.118 -2.973 1.00 1.00 H new ATOM 0 HG LEU A 80 21.837 -3.082 -2.356 1.00 1.00 H new ATOM 0 HD11 LEU A 80 19.382 -2.993 -2.247 1.00 1.00 H new ATOM 0 HD12 LEU A 80 20.145 -2.023 -0.965 1.00 1.00 H new ATOM 0 HD13 LEU A 80 19.444 -1.221 -2.391 1.00 1.00 H new ATOM 0 HD21 LEU A 80 20.534 -3.326 -4.425 1.00 1.00 H new ATOM 0 HD22 LEU A 80 20.671 -1.575 -4.712 1.00 1.00 H new ATOM 0 HD23 LEU A 80 22.129 -2.595 -4.720 1.00 1.00 H new ATOM 252 N SER A 81 24.305 -1.521 -5.231 1.00 1.00 N ATOM 253 CA SER A 81 24.551 -1.217 -6.630 1.00 1.00 C ATOM 254 C SER A 81 23.296 -1.505 -7.457 1.00 1.00 C ATOM 255 O SER A 81 22.943 -2.663 -7.672 1.00 1.00 O ATOM 256 CB SER A 81 25.737 -2.020 -7.168 1.00 1.00 C ATOM 257 OG SER A 81 26.932 -1.763 -6.436 1.00 1.00 O ATOM 0 H SER A 81 24.508 -2.484 -4.961 1.00 1.00 H new ATOM 0 HA SER A 81 24.797 -0.158 -6.712 1.00 1.00 H new ATOM 0 HB2 SER A 81 25.505 -3.084 -7.122 1.00 1.00 H new ATOM 0 HB3 SER A 81 25.895 -1.774 -8.218 1.00 1.00 H new ATOM 0 HG SER A 81 27.018 -0.800 -6.278 1.00 1.00 H new ATOM 263 N ILE A 82 22.658 -0.431 -7.898 1.00 1.00 N ATOM 264 CA ILE A 82 21.450 -0.554 -8.696 1.00 1.00 C ATOM 265 C ILE A 82 21.547 0.377 -9.906 1.00 1.00 C ATOM 266 O ILE A 82 22.363 1.297 -9.923 1.00 1.00 O ATOM 267 CB ILE A 82 20.210 -0.313 -7.833 1.00 1.00 C ATOM 268 CG1 ILE A 82 20.599 0.213 -6.450 1.00 1.00 C ATOM 269 CG2 ILE A 82 19.350 -1.575 -7.744 1.00 1.00 C ATOM 270 CD1 ILE A 82 19.402 0.867 -5.755 1.00 1.00 C ATOM 0 H ILE A 82 22.955 0.528 -7.718 1.00 1.00 H new ATOM 0 HA ILE A 82 21.349 -1.569 -9.081 1.00 1.00 H new ATOM 0 HB ILE A 82 19.605 0.456 -8.312 1.00 1.00 H new ATOM 0 HG12 ILE A 82 20.976 -0.607 -5.838 1.00 1.00 H new ATOM 0 HG13 ILE A 82 21.408 0.937 -6.547 1.00 1.00 H new ATOM 0 HG21 ILE A 82 18.475 -1.376 -7.125 1.00 1.00 H new ATOM 0 HG22 ILE A 82 19.028 -1.867 -8.744 1.00 1.00 H new ATOM 0 HG23 ILE A 82 19.933 -2.382 -7.300 1.00 1.00 H new ATOM 0 HD11 ILE A 82 19.706 1.232 -4.774 1.00 1.00 H new ATOM 0 HD12 ILE A 82 19.043 1.701 -6.358 1.00 1.00 H new ATOM 0 HD13 ILE A 82 18.604 0.134 -5.638 1.00 1.00 H new ATOM 282 N THR A 83 20.701 0.107 -10.890 1.00 1.00 N ATOM 283 CA THR A 83 20.681 0.909 -12.101 1.00 1.00 C ATOM 284 C THR A 83 19.456 1.825 -12.114 1.00 1.00 C ATOM 285 O THR A 83 18.589 1.720 -11.248 1.00 1.00 O ATOM 286 CB THR A 83 20.742 -0.042 -13.299 1.00 1.00 C ATOM 287 OG1 THR A 83 21.744 -0.989 -12.940 1.00 1.00 O ATOM 288 CG2 THR A 83 21.299 0.633 -14.554 1.00 1.00 C ATOM 0 H THR A 83 20.024 -0.656 -10.873 1.00 1.00 H new ATOM 0 HA THR A 83 21.544 1.573 -12.150 1.00 1.00 H new ATOM 0 HB THR A 83 19.744 -0.428 -13.507 1.00 1.00 H new ATOM 0 HG1 THR A 83 21.847 -1.645 -13.661 1.00 1.00 H new ATOM 0 HG21 THR A 83 21.321 -0.085 -15.374 1.00 1.00 H new ATOM 0 HG22 THR A 83 20.663 1.476 -14.826 1.00 1.00 H new ATOM 0 HG23 THR A 83 22.310 0.990 -14.357 1.00 1.00 H new ATOM 296 N LYS A 84 19.424 2.703 -13.106 1.00 1.00 N ATOM 297 CA LYS A 84 18.319 3.637 -13.243 1.00 1.00 C ATOM 298 C LYS A 84 17.096 2.897 -13.789 1.00 1.00 C ATOM 299 O LYS A 84 17.219 1.794 -14.319 1.00 1.00 O ATOM 300 CB LYS A 84 18.738 4.841 -14.089 1.00 1.00 C ATOM 301 CG LYS A 84 19.506 4.396 -15.335 1.00 1.00 C ATOM 302 CD LYS A 84 21.016 4.504 -15.116 1.00 1.00 C ATOM 303 CE LYS A 84 21.663 5.385 -16.186 1.00 1.00 C ATOM 304 NZ LYS A 84 21.957 4.594 -17.402 1.00 1.00 N ATOM 0 H LYS A 84 20.145 2.787 -13.822 1.00 1.00 H new ATOM 0 HA LYS A 84 18.039 4.042 -12.270 1.00 1.00 H new ATOM 0 HB2 LYS A 84 17.855 5.407 -14.385 1.00 1.00 H new ATOM 0 HB3 LYS A 84 19.360 5.509 -13.494 1.00 1.00 H new ATOM 0 HG2 LYS A 84 19.243 3.367 -15.580 1.00 1.00 H new ATOM 0 HG3 LYS A 84 19.213 5.011 -16.186 1.00 1.00 H new ATOM 0 HD2 LYS A 84 21.215 4.920 -14.128 1.00 1.00 H new ATOM 0 HD3 LYS A 84 21.463 3.510 -15.139 1.00 1.00 H new ATOM 0 HE2 LYS A 84 20.998 6.212 -16.435 1.00 1.00 H new ATOM 0 HE3 LYS A 84 22.583 5.822 -15.798 1.00 1.00 H new ATOM 0 HZ1 LYS A 84 22.396 5.208 -18.118 1.00 1.00 H new ATOM 0 HZ2 LYS A 84 22.609 3.820 -17.163 1.00 1.00 H new ATOM 0 HZ3 LYS A 84 21.073 4.198 -17.781 1.00 1.00 H new ATOM 318 N GLY A 85 15.944 3.534 -13.640 1.00 1.00 N ATOM 319 CA GLY A 85 14.700 2.950 -14.112 1.00 1.00 C ATOM 320 C GLY A 85 14.684 1.437 -13.887 1.00 1.00 C ATOM 321 O GLY A 85 14.069 0.698 -14.654 1.00 1.00 O ATOM 0 H GLY A 85 15.846 4.449 -13.199 1.00 1.00 H new ATOM 0 HA2 GLY A 85 13.859 3.408 -13.591 1.00 1.00 H new ATOM 0 HA3 GLY A 85 14.573 3.165 -15.173 1.00 1.00 H new ATOM 325 N GLU A 86 15.368 1.021 -12.831 1.00 1.00 N ATOM 326 CA GLU A 86 15.441 -0.391 -12.496 1.00 1.00 C ATOM 327 C GLU A 86 14.266 -0.785 -11.599 1.00 1.00 C ATOM 328 O GLU A 86 13.759 0.037 -10.837 1.00 1.00 O ATOM 329 CB GLU A 86 16.777 -0.728 -11.830 1.00 1.00 C ATOM 330 CG GLU A 86 17.261 -2.119 -12.246 1.00 1.00 C ATOM 331 CD GLU A 86 18.127 -2.748 -11.152 1.00 1.00 C ATOM 332 OE1 GLU A 86 17.537 -3.168 -10.133 1.00 1.00 O ATOM 333 OE2 GLU A 86 19.359 -2.794 -11.359 1.00 1.00 O ATOM 0 H GLU A 86 15.876 1.637 -12.196 1.00 1.00 H new ATOM 0 HA GLU A 86 15.377 -0.967 -13.419 1.00 1.00 H new ATOM 0 HB2 GLU A 86 17.523 0.018 -12.105 1.00 1.00 H new ATOM 0 HB3 GLU A 86 16.668 -0.686 -10.746 1.00 1.00 H new ATOM 0 HG2 GLU A 86 16.404 -2.760 -12.450 1.00 1.00 H new ATOM 0 HG3 GLU A 86 17.833 -2.047 -13.171 1.00 1.00 H new ATOM 340 N LYS A 87 13.867 -2.043 -11.719 1.00 1.00 N ATOM 341 CA LYS A 87 12.761 -2.555 -10.928 1.00 1.00 C ATOM 342 C LYS A 87 13.237 -2.808 -9.496 1.00 1.00 C ATOM 343 O LYS A 87 13.598 -3.931 -9.148 1.00 1.00 O ATOM 344 CB LYS A 87 12.148 -3.786 -11.599 1.00 1.00 C ATOM 345 CG LYS A 87 11.101 -4.440 -10.694 1.00 1.00 C ATOM 346 CD LYS A 87 11.490 -5.880 -10.358 1.00 1.00 C ATOM 347 CE LYS A 87 10.363 -6.591 -9.605 1.00 1.00 C ATOM 348 NZ LYS A 87 10.404 -6.247 -8.166 1.00 1.00 N ATOM 0 H LYS A 87 14.290 -2.722 -12.352 1.00 1.00 H new ATOM 0 HA LYS A 87 11.960 -1.818 -10.872 1.00 1.00 H new ATOM 0 HB2 LYS A 87 11.688 -3.498 -12.544 1.00 1.00 H new ATOM 0 HB3 LYS A 87 12.933 -4.506 -11.833 1.00 1.00 H new ATOM 0 HG2 LYS A 87 10.998 -3.863 -9.775 1.00 1.00 H new ATOM 0 HG3 LYS A 87 10.129 -4.428 -11.188 1.00 1.00 H new ATOM 0 HD2 LYS A 87 11.718 -6.422 -11.276 1.00 1.00 H new ATOM 0 HD3 LYS A 87 12.396 -5.884 -9.752 1.00 1.00 H new ATOM 0 HE2 LYS A 87 9.399 -6.305 -10.026 1.00 1.00 H new ATOM 0 HE3 LYS A 87 10.458 -7.670 -9.730 1.00 1.00 H new ATOM 0 HZ1 LYS A 87 9.633 -6.738 -7.670 1.00 1.00 H new ATOM 0 HZ2 LYS A 87 11.317 -6.542 -7.764 1.00 1.00 H new ATOM 0 HZ3 LYS A 87 10.291 -5.220 -8.051 1.00 1.00 H new ATOM 362 N LEU A 88 13.223 -1.745 -8.705 1.00 1.00 N ATOM 363 CA LEU A 88 13.649 -1.838 -7.319 1.00 1.00 C ATOM 364 C LEU A 88 12.604 -1.171 -6.423 1.00 1.00 C ATOM 365 O LEU A 88 12.144 -0.068 -6.715 1.00 1.00 O ATOM 366 CB LEU A 88 15.058 -1.266 -7.152 1.00 1.00 C ATOM 367 CG LEU A 88 15.469 -0.903 -5.724 1.00 1.00 C ATOM 368 CD1 LEU A 88 16.975 -1.089 -5.523 1.00 1.00 C ATOM 369 CD2 LEU A 88 15.014 0.513 -5.365 1.00 1.00 C ATOM 0 H LEU A 88 12.923 -0.815 -8.998 1.00 1.00 H new ATOM 0 HA LEU A 88 13.715 -2.881 -7.010 1.00 1.00 H new ATOM 0 HB2 LEU A 88 15.772 -1.992 -7.541 1.00 1.00 H new ATOM 0 HB3 LEU A 88 15.142 -0.373 -7.771 1.00 1.00 H new ATOM 0 HG LEU A 88 14.965 -1.586 -5.040 1.00 1.00 H new ATOM 0 HD11 LEU A 88 17.241 -0.824 -4.500 1.00 1.00 H new ATOM 0 HD12 LEU A 88 17.241 -2.129 -5.709 1.00 1.00 H new ATOM 0 HD13 LEU A 88 17.517 -0.446 -6.217 1.00 1.00 H new ATOM 0 HD21 LEU A 88 15.319 0.745 -4.345 1.00 1.00 H new ATOM 0 HD22 LEU A 88 15.470 1.227 -6.051 1.00 1.00 H new ATOM 0 HD23 LEU A 88 13.929 0.577 -5.443 1.00 1.00 H new ATOM 381 N ARG A 89 12.259 -1.867 -5.350 1.00 1.00 N ATOM 382 CA ARG A 89 11.277 -1.355 -4.409 1.00 1.00 C ATOM 383 C ARG A 89 11.763 -1.557 -2.973 1.00 1.00 C ATOM 384 O ARG A 89 12.338 -2.595 -2.648 1.00 1.00 O ATOM 385 CB ARG A 89 9.928 -2.054 -4.587 1.00 1.00 C ATOM 386 CG ARG A 89 9.633 -2.309 -6.067 1.00 1.00 C ATOM 387 CD ARG A 89 9.013 -1.074 -6.723 1.00 1.00 C ATOM 388 NE ARG A 89 7.713 -0.762 -6.088 1.00 1.00 N ATOM 389 CZ ARG A 89 6.582 -1.441 -6.319 1.00 1.00 C ATOM 390 NH1 ARG A 89 6.583 -2.474 -7.173 1.00 1.00 N ATOM 391 NH2 ARG A 89 5.448 -1.087 -5.698 1.00 1.00 N ATOM 0 H ARG A 89 12.642 -2.782 -5.111 1.00 1.00 H new ATOM 0 HA ARG A 89 11.151 -0.291 -4.607 1.00 1.00 H new ATOM 0 HB2 ARG A 89 9.930 -3.000 -4.045 1.00 1.00 H new ATOM 0 HB3 ARG A 89 9.137 -1.441 -4.155 1.00 1.00 H new ATOM 0 HG2 ARG A 89 10.554 -2.576 -6.584 1.00 1.00 H new ATOM 0 HG3 ARG A 89 8.955 -3.157 -6.166 1.00 1.00 H new ATOM 0 HD2 ARG A 89 9.688 -0.223 -6.626 1.00 1.00 H new ATOM 0 HD3 ARG A 89 8.873 -1.250 -7.790 1.00 1.00 H new ATOM 0 HE ARG A 89 7.676 0.019 -5.433 1.00 1.00 H new ATOM 0 HH11 ARG A 89 7.445 -2.743 -7.647 1.00 1.00 H new ATOM 0 HH12 ARG A 89 5.722 -2.991 -7.349 1.00 1.00 H new ATOM 0 HH21 ARG A 89 5.446 -0.300 -5.049 1.00 1.00 H new ATOM 0 HH22 ARG A 89 4.587 -1.605 -5.874 1.00 1.00 H new ATOM 405 N VAL A 90 11.514 -0.548 -2.150 1.00 1.00 N ATOM 406 CA VAL A 90 11.918 -0.602 -0.756 1.00 1.00 C ATOM 407 C VAL A 90 10.943 -1.489 0.020 1.00 1.00 C ATOM 408 O VAL A 90 9.753 -1.187 0.102 1.00 1.00 O ATOM 409 CB VAL A 90 12.021 0.814 -0.186 1.00 1.00 C ATOM 410 CG1 VAL A 90 11.853 0.807 1.335 1.00 1.00 C ATOM 411 CG2 VAL A 90 13.342 1.473 -0.589 1.00 1.00 C ATOM 0 H VAL A 90 11.037 0.312 -2.423 1.00 1.00 H new ATOM 0 HA VAL A 90 12.908 -1.049 -0.663 1.00 1.00 H new ATOM 0 HB VAL A 90 11.209 1.405 -0.610 1.00 1.00 H new ATOM 0 HG11 VAL A 90 11.931 1.826 1.714 1.00 1.00 H new ATOM 0 HG12 VAL A 90 10.876 0.398 1.591 1.00 1.00 H new ATOM 0 HG13 VAL A 90 12.633 0.192 1.784 1.00 1.00 H new ATOM 0 HG21 VAL A 90 13.389 2.478 -0.171 1.00 1.00 H new ATOM 0 HG22 VAL A 90 14.175 0.882 -0.208 1.00 1.00 H new ATOM 0 HG23 VAL A 90 13.404 1.529 -1.676 1.00 1.00 H new ATOM 421 N LEU A 91 11.483 -2.567 0.570 1.00 1.00 N ATOM 422 CA LEU A 91 10.675 -3.501 1.336 1.00 1.00 C ATOM 423 C LEU A 91 11.099 -3.449 2.805 1.00 1.00 C ATOM 424 O LEU A 91 10.471 -4.073 3.659 1.00 1.00 O ATOM 425 CB LEU A 91 10.748 -4.901 0.724 1.00 1.00 C ATOM 426 CG LEU A 91 9.495 -5.377 -0.013 1.00 1.00 C ATOM 427 CD1 LEU A 91 9.820 -6.540 -0.952 1.00 1.00 C ATOM 428 CD2 LEU A 91 8.380 -5.732 0.973 1.00 1.00 C ATOM 0 H LEU A 91 12.470 -2.814 0.500 1.00 1.00 H new ATOM 0 HA LEU A 91 9.624 -3.216 1.297 1.00 1.00 H new ATOM 0 HB2 LEU A 91 11.587 -4.929 0.029 1.00 1.00 H new ATOM 0 HB3 LEU A 91 10.970 -5.612 1.519 1.00 1.00 H new ATOM 0 HG LEU A 91 9.130 -4.556 -0.630 1.00 1.00 H new ATOM 0 HD11 LEU A 91 8.912 -6.859 -1.464 1.00 1.00 H new ATOM 0 HD12 LEU A 91 10.557 -6.218 -1.688 1.00 1.00 H new ATOM 0 HD13 LEU A 91 10.223 -7.372 -0.375 1.00 1.00 H new ATOM 0 HD21 LEU A 91 7.501 -6.067 0.423 1.00 1.00 H new ATOM 0 HD22 LEU A 91 8.720 -6.529 1.635 1.00 1.00 H new ATOM 0 HD23 LEU A 91 8.124 -4.853 1.565 1.00 1.00 H new ATOM 440 N GLY A 92 12.162 -2.698 3.055 1.00 1.00 N ATOM 441 CA GLY A 92 12.678 -2.557 4.406 1.00 1.00 C ATOM 442 C GLY A 92 12.790 -1.082 4.798 1.00 1.00 C ATOM 443 O GLY A 92 13.085 -0.234 3.958 1.00 1.00 O ATOM 0 H GLY A 92 12.680 -2.181 2.345 1.00 1.00 H new ATOM 0 HA2 GLY A 92 12.022 -3.074 5.106 1.00 1.00 H new ATOM 0 HA3 GLY A 92 13.657 -3.031 4.477 1.00 1.00 H new ATOM 447 N TYR A 93 12.551 -0.823 6.075 1.00 1.00 N ATOM 448 CA TYR A 93 12.622 0.535 6.589 1.00 1.00 C ATOM 449 C TYR A 93 13.608 0.629 7.754 1.00 1.00 C ATOM 450 O TYR A 93 13.882 -0.367 8.423 1.00 1.00 O ATOM 451 CB TYR A 93 11.217 0.867 7.097 1.00 1.00 C ATOM 452 CG TYR A 93 10.504 1.953 6.289 1.00 1.00 C ATOM 453 CD1 TYR A 93 11.115 3.173 6.082 1.00 1.00 C ATOM 454 CD2 TYR A 93 9.249 1.712 5.766 1.00 1.00 C ATOM 455 CE1 TYR A 93 10.443 4.194 5.321 1.00 1.00 C ATOM 456 CE2 TYR A 93 8.578 2.733 5.005 1.00 1.00 C ATOM 457 CZ TYR A 93 9.208 3.924 4.820 1.00 1.00 C ATOM 458 OH TYR A 93 8.573 4.889 4.102 1.00 1.00 O ATOM 0 H TYR A 93 12.308 -1.530 6.769 1.00 1.00 H new ATOM 0 HA TYR A 93 12.960 1.222 5.813 1.00 1.00 H new ATOM 0 HB2 TYR A 93 10.612 -0.040 7.081 1.00 1.00 H new ATOM 0 HB3 TYR A 93 11.284 1.187 8.137 1.00 1.00 H new ATOM 0 HD1 TYR A 93 12.097 3.362 6.491 1.00 1.00 H new ATOM 0 HD2 TYR A 93 8.771 0.757 5.928 1.00 1.00 H new ATOM 0 HE1 TYR A 93 10.910 5.153 5.152 1.00 1.00 H new ATOM 0 HE2 TYR A 93 7.596 2.557 4.590 1.00 1.00 H new ATOM 0 HH TYR A 93 8.574 4.645 3.153 1.00 1.00 H new ATOM 468 N ASN A 94 14.116 1.835 7.962 1.00 1.00 N ATOM 469 CA ASN A 94 15.067 2.072 9.035 1.00 1.00 C ATOM 470 C ASN A 94 14.371 2.828 10.169 1.00 1.00 C ATOM 471 O ASN A 94 13.234 3.272 10.018 1.00 1.00 O ATOM 472 CB ASN A 94 16.242 2.924 8.551 1.00 1.00 C ATOM 473 CG ASN A 94 15.856 4.402 8.482 1.00 1.00 C ATOM 474 OD1 ASN A 94 14.692 4.768 8.485 1.00 1.00 O ATOM 475 ND2 ASN A 94 16.896 5.230 8.419 1.00 1.00 N ATOM 0 H ASN A 94 13.887 2.659 7.406 1.00 1.00 H new ATOM 0 HA ASN A 94 15.438 1.106 9.376 1.00 1.00 H new ATOM 0 HB2 ASN A 94 17.090 2.797 9.225 1.00 1.00 H new ATOM 0 HB3 ASN A 94 16.563 2.582 7.567 1.00 1.00 H new ATOM 0 HD21 ASN A 94 16.744 6.237 8.369 1.00 1.00 H new ATOM 0 HD22 ASN A 94 17.845 4.857 8.420 1.00 1.00 H new ATOM 482 N HIS A 95 15.083 2.950 11.280 1.00 1.00 N ATOM 483 CA HIS A 95 14.548 3.644 12.439 1.00 1.00 C ATOM 484 C HIS A 95 15.614 4.578 13.015 1.00 1.00 C ATOM 485 O HIS A 95 15.536 4.973 14.177 1.00 1.00 O ATOM 486 CB HIS A 95 14.013 2.648 13.470 1.00 1.00 C ATOM 487 CG HIS A 95 13.214 3.284 14.582 1.00 1.00 C ATOM 488 ND1 HIS A 95 12.762 2.575 15.681 1.00 1.00 N ATOM 489 CD2 HIS A 95 12.793 4.570 14.753 1.00 1.00 C ATOM 490 CE1 HIS A 95 12.099 3.407 16.471 1.00 1.00 C ATOM 491 NE2 HIS A 95 12.119 4.642 15.894 1.00 1.00 N ATOM 0 H HIS A 95 16.026 2.580 11.402 1.00 1.00 H new ATOM 0 HA HIS A 95 13.699 4.259 12.139 1.00 1.00 H new ATOM 0 HB2 HIS A 95 13.388 1.915 12.961 1.00 1.00 H new ATOM 0 HB3 HIS A 95 14.852 2.105 13.904 1.00 1.00 H new ATOM 0 HD2 HIS A 95 12.977 5.390 14.075 1.00 1.00 H new ATOM 0 HE1 HIS A 95 11.626 3.152 17.408 1.00 1.00 H new ATOM 0 HE2 HIS A 95 11.687 5.483 16.276 1.00 1.00 H new ATOM 499 N ASN A 96 16.585 4.905 12.175 1.00 1.00 N ATOM 500 CA ASN A 96 17.666 5.785 12.586 1.00 1.00 C ATOM 501 C ASN A 96 17.415 7.187 12.028 1.00 1.00 C ATOM 502 O ASN A 96 17.387 8.162 12.778 1.00 1.00 O ATOM 503 CB ASN A 96 19.011 5.295 12.047 1.00 1.00 C ATOM 504 CG ASN A 96 19.798 6.443 11.412 1.00 1.00 C ATOM 505 OD1 ASN A 96 20.518 7.175 12.071 1.00 1.00 O ATOM 506 ND2 ASN A 96 19.622 6.559 10.099 1.00 1.00 N ATOM 0 H ASN A 96 16.646 4.576 11.211 1.00 1.00 H new ATOM 0 HA ASN A 96 17.697 5.795 13.676 1.00 1.00 H new ATOM 0 HB2 ASN A 96 19.593 4.855 12.857 1.00 1.00 H new ATOM 0 HB3 ASN A 96 18.847 4.510 11.309 1.00 1.00 H new ATOM 0 HD21 ASN A 96 20.104 7.295 9.583 1.00 1.00 H new ATOM 0 HD22 ASN A 96 19.005 5.912 9.608 1.00 1.00 H new ATOM 513 N GLY A 97 17.240 7.245 10.716 1.00 1.00 N ATOM 514 CA GLY A 97 16.993 8.512 10.049 1.00 1.00 C ATOM 515 C GLY A 97 15.992 8.343 8.904 1.00 1.00 C ATOM 516 O GLY A 97 14.853 7.935 9.125 1.00 1.00 O ATOM 0 H GLY A 97 17.264 6.435 10.097 1.00 1.00 H new ATOM 0 HA2 GLY A 97 16.610 9.237 10.768 1.00 1.00 H new ATOM 0 HA3 GLY A 97 17.930 8.912 9.662 1.00 1.00 H new ATOM 520 N GLU A 98 16.454 8.665 7.705 1.00 1.00 N ATOM 521 CA GLU A 98 15.614 8.554 6.524 1.00 1.00 C ATOM 522 C GLU A 98 16.259 7.618 5.500 1.00 1.00 C ATOM 523 O GLU A 98 16.684 8.058 4.433 1.00 1.00 O ATOM 524 CB GLU A 98 15.341 9.930 5.914 1.00 1.00 C ATOM 525 CG GLU A 98 15.032 10.960 7.002 1.00 1.00 C ATOM 526 CD GLU A 98 13.645 11.573 6.799 1.00 1.00 C ATOM 527 OE1 GLU A 98 13.453 12.202 5.736 1.00 1.00 O ATOM 528 OE2 GLU A 98 12.808 11.399 7.711 1.00 1.00 O ATOM 0 H GLU A 98 17.400 9.003 7.525 1.00 1.00 H new ATOM 0 HA GLU A 98 14.656 8.129 6.822 1.00 1.00 H new ATOM 0 HB2 GLU A 98 16.207 10.254 5.337 1.00 1.00 H new ATOM 0 HB3 GLU A 98 14.502 9.865 5.221 1.00 1.00 H new ATOM 0 HG2 GLU A 98 15.084 10.486 7.982 1.00 1.00 H new ATOM 0 HG3 GLU A 98 15.787 11.746 6.988 1.00 1.00 H new ATOM 535 N TRP A 99 16.313 6.344 5.860 1.00 1.00 N ATOM 536 CA TRP A 99 16.899 5.343 4.986 1.00 1.00 C ATOM 537 C TRP A 99 15.985 4.115 4.993 1.00 1.00 C ATOM 538 O TRP A 99 15.339 3.824 5.999 1.00 1.00 O ATOM 539 CB TRP A 99 18.335 5.022 5.405 1.00 1.00 C ATOM 540 CG TRP A 99 19.353 6.091 5.007 1.00 1.00 C ATOM 541 CD1 TRP A 99 19.545 7.295 5.563 1.00 1.00 C ATOM 542 CD2 TRP A 99 20.318 6.004 3.938 1.00 1.00 C ATOM 543 NE1 TRP A 99 20.559 7.988 4.933 1.00 1.00 N ATOM 544 CE2 TRP A 99 21.044 7.177 3.913 1.00 1.00 C ATOM 545 CE3 TRP A 99 20.570 4.968 3.021 1.00 1.00 C ATOM 546 CZ2 TRP A 99 22.069 7.426 2.992 1.00 1.00 C ATOM 547 CZ3 TRP A 99 21.597 5.232 2.107 1.00 1.00 C ATOM 548 CH2 TRP A 99 22.337 6.408 2.069 1.00 1.00 C ATOM 0 H TRP A 99 15.960 5.982 6.746 1.00 1.00 H new ATOM 0 HA TRP A 99 16.971 5.717 3.965 1.00 1.00 H new ATOM 0 HB2 TRP A 99 18.366 4.890 6.487 1.00 1.00 H new ATOM 0 HB3 TRP A 99 18.629 4.072 4.959 1.00 1.00 H new ATOM 0 HD1 TRP A 99 18.977 7.676 6.399 1.00 1.00 H new ATOM 0 HE1 TRP A 99 20.891 8.922 5.172 1.00 1.00 H new ATOM 0 HE3 TRP A 99 20.015 4.042 3.022 1.00 1.00 H new ATOM 0 HZ2 TRP A 99 22.623 8.353 2.994 1.00 1.00 H new ATOM 0 HZ3 TRP A 99 21.831 4.468 1.380 1.00 1.00 H new ATOM 0 HH2 TRP A 99 23.115 6.536 1.331 1.00 1.00 H new ATOM 559 N CYS A 100 15.960 3.429 3.860 1.00 1.00 N ATOM 560 CA CYS A 100 15.136 2.240 3.724 1.00 1.00 C ATOM 561 C CYS A 100 15.965 1.159 3.028 1.00 1.00 C ATOM 562 O CYS A 100 16.666 1.438 2.056 1.00 1.00 O ATOM 563 CB CYS A 100 13.837 2.536 2.971 1.00 1.00 C ATOM 564 SG CYS A 100 13.266 4.232 3.352 1.00 1.00 S ATOM 0 H CYS A 100 16.497 3.674 3.028 1.00 1.00 H new ATOM 0 HA CYS A 100 14.835 1.887 4.711 1.00 1.00 H new ATOM 0 HB2 CYS A 100 13.997 2.430 1.898 1.00 1.00 H new ATOM 0 HB3 CYS A 100 13.071 1.814 3.253 1.00 1.00 H new ATOM 0 HG CYS A 100 12.238 4.176 4.146 1.00 1.00 H new ATOM 570 N GLU A 101 15.858 -0.053 3.553 1.00 1.00 N ATOM 571 CA GLU A 101 16.590 -1.178 2.994 1.00 1.00 C ATOM 572 C GLU A 101 15.990 -1.584 1.646 1.00 1.00 C ATOM 573 O GLU A 101 14.774 -1.716 1.518 1.00 1.00 O ATOM 574 CB GLU A 101 16.604 -2.359 3.966 1.00 1.00 C ATOM 575 CG GLU A 101 17.745 -3.325 3.638 1.00 1.00 C ATOM 576 CD GLU A 101 17.944 -4.341 4.765 1.00 1.00 C ATOM 577 OE1 GLU A 101 17.982 -3.894 5.932 1.00 1.00 O ATOM 578 OE2 GLU A 101 18.054 -5.541 4.434 1.00 1.00 O ATOM 0 H GLU A 101 15.276 -0.281 4.359 1.00 1.00 H new ATOM 0 HA GLU A 101 17.623 -0.871 2.832 1.00 1.00 H new ATOM 0 HB2 GLU A 101 16.714 -1.993 4.987 1.00 1.00 H new ATOM 0 HB3 GLU A 101 15.651 -2.886 3.917 1.00 1.00 H new ATOM 0 HG2 GLU A 101 17.527 -3.848 2.707 1.00 1.00 H new ATOM 0 HG3 GLU A 101 18.667 -2.765 3.481 1.00 1.00 H new ATOM 585 N ALA A 102 16.872 -1.770 0.675 1.00 1.00 N ATOM 586 CA ALA A 102 16.445 -2.158 -0.659 1.00 1.00 C ATOM 587 C ALA A 102 17.096 -3.491 -1.030 1.00 1.00 C ATOM 588 O ALA A 102 18.153 -3.838 -0.504 1.00 1.00 O ATOM 589 CB ALA A 102 16.790 -1.044 -1.650 1.00 1.00 C ATOM 0 H ALA A 102 17.880 -1.659 0.785 1.00 1.00 H new ATOM 0 HA ALA A 102 15.365 -2.299 -0.691 1.00 1.00 H new ATOM 0 HB1 ALA A 102 16.470 -1.335 -2.650 1.00 1.00 H new ATOM 0 HB2 ALA A 102 16.279 -0.126 -1.358 1.00 1.00 H new ATOM 0 HB3 ALA A 102 17.867 -0.876 -1.648 1.00 1.00 H new ATOM 595 N GLN A 103 16.439 -4.203 -1.934 1.00 1.00 N ATOM 596 CA GLN A 103 16.941 -5.491 -2.381 1.00 1.00 C ATOM 597 C GLN A 103 17.076 -5.508 -3.905 1.00 1.00 C ATOM 598 O GLN A 103 16.149 -5.128 -4.619 1.00 1.00 O ATOM 599 CB GLN A 103 16.039 -6.629 -1.899 1.00 1.00 C ATOM 600 CG GLN A 103 15.953 -6.650 -0.371 1.00 1.00 C ATOM 601 CD GLN A 103 14.570 -7.111 0.094 1.00 1.00 C ATOM 602 OE1 GLN A 103 13.625 -6.344 0.170 1.00 1.00 O ATOM 603 NE2 GLN A 103 14.505 -8.404 0.399 1.00 1.00 N ATOM 0 H GLN A 103 15.563 -3.912 -2.369 1.00 1.00 H new ATOM 0 HA GLN A 103 17.928 -5.645 -1.946 1.00 1.00 H new ATOM 0 HB2 GLN A 103 15.041 -6.511 -2.322 1.00 1.00 H new ATOM 0 HB3 GLN A 103 16.427 -7.582 -2.258 1.00 1.00 H new ATOM 0 HG2 GLN A 103 16.716 -7.316 0.031 1.00 1.00 H new ATOM 0 HG3 GLN A 103 16.160 -5.655 0.022 1.00 1.00 H new ATOM 0 HE21 GLN A 103 15.335 -8.991 0.313 1.00 1.00 H new ATOM 0 HE22 GLN A 103 13.625 -8.809 0.719 1.00 1.00 H new ATOM 612 N THR A 104 18.239 -5.951 -4.360 1.00 1.00 N ATOM 613 CA THR A 104 18.508 -6.022 -5.786 1.00 1.00 C ATOM 614 C THR A 104 18.473 -7.475 -6.264 1.00 1.00 C ATOM 615 O THR A 104 18.961 -8.370 -5.576 1.00 1.00 O ATOM 616 CB THR A 104 19.845 -5.327 -6.050 1.00 1.00 C ATOM 617 OG1 THR A 104 19.548 -3.940 -5.916 1.00 1.00 O ATOM 618 CG2 THR A 104 20.303 -5.472 -7.503 1.00 1.00 C ATOM 0 H THR A 104 19.006 -6.265 -3.766 1.00 1.00 H new ATOM 0 HA THR A 104 17.738 -5.506 -6.360 1.00 1.00 H new ATOM 0 HB THR A 104 20.606 -5.739 -5.387 1.00 1.00 H new ATOM 0 HG1 THR A 104 18.615 -3.831 -5.638 1.00 1.00 H new ATOM 0 HG21 THR A 104 21.256 -4.961 -7.637 1.00 1.00 H new ATOM 0 HG22 THR A 104 20.421 -6.529 -7.744 1.00 1.00 H new ATOM 0 HG23 THR A 104 19.558 -5.030 -8.165 1.00 1.00 H new ATOM 626 N LYS A 105 17.892 -7.664 -7.439 1.00 1.00 N ATOM 627 CA LYS A 105 17.787 -8.993 -8.017 1.00 1.00 C ATOM 628 C LYS A 105 19.187 -9.589 -8.172 1.00 1.00 C ATOM 629 O LYS A 105 19.335 -10.794 -8.372 1.00 1.00 O ATOM 630 CB LYS A 105 16.989 -8.949 -9.322 1.00 1.00 C ATOM 631 CG LYS A 105 17.729 -8.140 -10.389 1.00 1.00 C ATOM 632 CD LYS A 105 18.392 -9.062 -11.415 1.00 1.00 C ATOM 633 CE LYS A 105 19.348 -8.281 -12.318 1.00 1.00 C ATOM 634 NZ LYS A 105 18.597 -7.571 -13.377 1.00 1.00 N ATOM 0 H LYS A 105 17.489 -6.919 -8.007 1.00 1.00 H new ATOM 0 HA LYS A 105 17.230 -9.654 -7.353 1.00 1.00 H new ATOM 0 HB2 LYS A 105 16.818 -9.963 -9.683 1.00 1.00 H new ATOM 0 HB3 LYS A 105 16.010 -8.507 -9.139 1.00 1.00 H new ATOM 0 HG2 LYS A 105 17.031 -7.472 -10.893 1.00 1.00 H new ATOM 0 HG3 LYS A 105 18.485 -7.513 -9.916 1.00 1.00 H new ATOM 0 HD2 LYS A 105 18.937 -9.853 -10.900 1.00 1.00 H new ATOM 0 HD3 LYS A 105 17.627 -9.546 -12.022 1.00 1.00 H new ATOM 0 HE2 LYS A 105 19.915 -7.565 -11.724 1.00 1.00 H new ATOM 0 HE3 LYS A 105 20.069 -8.962 -12.770 1.00 1.00 H new ATOM 0 HZ1 LYS A 105 19.261 -7.046 -13.981 1.00 1.00 H new ATOM 0 HZ2 LYS A 105 18.075 -8.261 -13.954 1.00 1.00 H new ATOM 0 HZ3 LYS A 105 17.926 -6.907 -12.941 1.00 1.00 H new ATOM 648 N ASN A 106 20.181 -8.717 -8.075 1.00 1.00 N ATOM 649 CA ASN A 106 21.564 -9.142 -8.202 1.00 1.00 C ATOM 650 C ASN A 106 22.154 -9.367 -6.808 1.00 1.00 C ATOM 651 O ASN A 106 22.911 -10.314 -6.596 1.00 1.00 O ATOM 652 CB ASN A 106 22.406 -8.075 -8.905 1.00 1.00 C ATOM 653 CG ASN A 106 23.632 -7.704 -8.068 1.00 1.00 C ATOM 654 OD1 ASN A 106 24.444 -8.540 -7.705 1.00 1.00 O ATOM 655 ND2 ASN A 106 23.720 -6.409 -7.782 1.00 1.00 N ATOM 0 H ASN A 106 20.055 -7.718 -7.910 1.00 1.00 H new ATOM 0 HA ASN A 106 21.582 -10.060 -8.789 1.00 1.00 H new ATOM 0 HB2 ASN A 106 22.725 -8.443 -9.880 1.00 1.00 H new ATOM 0 HB3 ASN A 106 21.800 -7.187 -9.082 1.00 1.00 H new ATOM 0 HD21 ASN A 106 24.502 -6.061 -7.227 1.00 1.00 H new ATOM 0 HD22 ASN A 106 23.005 -5.763 -8.117 1.00 1.00 H new ATOM 662 N GLY A 107 21.786 -8.482 -5.894 1.00 1.00 N ATOM 663 CA GLY A 107 22.269 -8.572 -4.527 1.00 1.00 C ATOM 664 C GLY A 107 21.376 -7.773 -3.576 1.00 1.00 C ATOM 665 O GLY A 107 20.153 -7.789 -3.707 1.00 1.00 O ATOM 0 H GLY A 107 21.158 -7.698 -6.074 1.00 1.00 H new ATOM 0 HA2 GLY A 107 22.296 -9.616 -4.215 1.00 1.00 H new ATOM 0 HA3 GLY A 107 23.291 -8.197 -4.473 1.00 1.00 H new ATOM 669 N GLN A 108 22.021 -7.094 -2.639 1.00 1.00 N ATOM 670 CA GLN A 108 21.300 -6.291 -1.666 1.00 1.00 C ATOM 671 C GLN A 108 22.162 -5.113 -1.208 1.00 1.00 C ATOM 672 O GLN A 108 23.331 -5.013 -1.577 1.00 1.00 O ATOM 673 CB GLN A 108 20.856 -7.142 -0.475 1.00 1.00 C ATOM 674 CG GLN A 108 19.462 -6.729 0.005 1.00 1.00 C ATOM 675 CD GLN A 108 19.397 -6.689 1.533 1.00 1.00 C ATOM 676 OE1 GLN A 108 20.361 -6.965 2.228 1.00 1.00 O ATOM 677 NE2 GLN A 108 18.211 -6.332 2.015 1.00 1.00 N ATOM 0 H GLN A 108 23.035 -7.083 -2.533 1.00 1.00 H new ATOM 0 HA GLN A 108 20.403 -5.896 -2.142 1.00 1.00 H new ATOM 0 HB2 GLN A 108 20.850 -8.195 -0.758 1.00 1.00 H new ATOM 0 HB3 GLN A 108 21.572 -7.035 0.340 1.00 1.00 H new ATOM 0 HG2 GLN A 108 19.210 -5.748 -0.399 1.00 1.00 H new ATOM 0 HG3 GLN A 108 18.720 -7.431 -0.376 1.00 1.00 H new ATOM 0 HE21 GLN A 108 17.446 -6.114 1.377 1.00 1.00 H new ATOM 0 HE22 GLN A 108 18.066 -6.276 3.023 1.00 1.00 H new ATOM 686 N GLY A 109 21.551 -4.249 -0.410 1.00 1.00 N ATOM 687 CA GLY A 109 22.247 -3.082 0.103 1.00 1.00 C ATOM 688 C GLY A 109 21.266 -2.090 0.732 1.00 1.00 C ATOM 689 O GLY A 109 20.104 -2.422 0.961 1.00 1.00 O ATOM 0 H GLY A 109 20.581 -4.334 -0.106 1.00 1.00 H new ATOM 0 HA2 GLY A 109 22.983 -3.391 0.845 1.00 1.00 H new ATOM 0 HA3 GLY A 109 22.793 -2.596 -0.705 1.00 1.00 H new ATOM 693 N TRP A 110 21.771 -0.893 0.994 1.00 1.00 N ATOM 694 CA TRP A 110 20.953 0.149 1.592 1.00 1.00 C ATOM 695 C TRP A 110 20.661 1.196 0.516 1.00 1.00 C ATOM 696 O TRP A 110 21.434 1.353 -0.429 1.00 1.00 O ATOM 697 CB TRP A 110 21.633 0.736 2.830 1.00 1.00 C ATOM 698 CG TRP A 110 21.224 0.065 4.142 1.00 1.00 C ATOM 699 CD1 TRP A 110 21.774 -1.008 4.727 1.00 1.00 C ATOM 700 CD2 TRP A 110 20.148 0.469 5.015 1.00 1.00 C ATOM 701 NE1 TRP A 110 21.134 -1.325 5.907 1.00 1.00 N ATOM 702 CE2 TRP A 110 20.114 -0.398 6.089 1.00 1.00 C ATOM 703 CE3 TRP A 110 19.234 1.531 4.902 1.00 1.00 C ATOM 704 CZ2 TRP A 110 19.185 -0.291 7.131 1.00 1.00 C ATOM 705 CZ3 TRP A 110 18.312 1.624 5.951 1.00 1.00 C ATOM 706 CH2 TRP A 110 18.265 0.760 7.039 1.00 1.00 C ATOM 0 H TRP A 110 22.736 -0.622 0.803 1.00 1.00 H new ATOM 0 HA TRP A 110 20.006 -0.259 1.946 1.00 1.00 H new ATOM 0 HB2 TRP A 110 22.713 0.652 2.712 1.00 1.00 H new ATOM 0 HB3 TRP A 110 21.400 1.799 2.890 1.00 1.00 H new ATOM 0 HD1 TRP A 110 22.613 -1.556 4.325 1.00 1.00 H new ATOM 0 HE1 TRP A 110 21.366 -2.097 6.531 1.00 1.00 H new ATOM 0 HE3 TRP A 110 19.243 2.221 4.071 1.00 1.00 H new ATOM 0 HZ2 TRP A 110 19.179 -0.982 7.961 1.00 1.00 H new ATOM 0 HZ3 TRP A 110 17.586 2.423 5.912 1.00 1.00 H new ATOM 0 HH2 TRP A 110 17.522 0.899 7.810 1.00 1.00 H new ATOM 717 N VAL A 111 19.545 1.887 0.695 1.00 1.00 N ATOM 718 CA VAL A 111 19.142 2.916 -0.249 1.00 1.00 C ATOM 719 C VAL A 111 18.422 4.037 0.502 1.00 1.00 C ATOM 720 O VAL A 111 17.462 3.786 1.229 1.00 1.00 O ATOM 721 CB VAL A 111 18.292 2.300 -1.362 1.00 1.00 C ATOM 722 CG1 VAL A 111 16.817 2.243 -0.958 1.00 1.00 C ATOM 723 CG2 VAL A 111 18.471 3.064 -2.676 1.00 1.00 C ATOM 0 H VAL A 111 18.907 1.755 1.480 1.00 1.00 H new ATOM 0 HA VAL A 111 20.015 3.356 -0.731 1.00 1.00 H new ATOM 0 HB VAL A 111 18.636 1.278 -1.519 1.00 1.00 H new ATOM 0 HG11 VAL A 111 16.235 1.801 -1.767 1.00 1.00 H new ATOM 0 HG12 VAL A 111 16.709 1.636 -0.059 1.00 1.00 H new ATOM 0 HG13 VAL A 111 16.455 3.252 -0.760 1.00 1.00 H new ATOM 0 HG21 VAL A 111 17.856 2.605 -3.450 1.00 1.00 H new ATOM 0 HG22 VAL A 111 18.167 4.102 -2.538 1.00 1.00 H new ATOM 0 HG23 VAL A 111 19.518 3.030 -2.977 1.00 1.00 H new ATOM 733 N PRO A 112 18.927 5.283 0.296 1.00 1.00 N ATOM 734 CA PRO A 112 18.342 6.444 0.946 1.00 1.00 C ATOM 735 C PRO A 112 17.019 6.834 0.285 1.00 1.00 C ATOM 736 O PRO A 112 16.820 6.592 -0.905 1.00 1.00 O ATOM 737 CB PRO A 112 19.401 7.530 0.839 1.00 1.00 C ATOM 738 CG PRO A 112 20.345 7.083 -0.266 1.00 1.00 C ATOM 739 CD PRO A 112 20.063 5.619 -0.557 1.00 1.00 C ATOM 0 HA PRO A 112 18.085 6.257 1.989 1.00 1.00 H new ATOM 0 HB2 PRO A 112 18.950 8.493 0.602 1.00 1.00 H new ATOM 0 HB3 PRO A 112 19.933 7.651 1.782 1.00 1.00 H new ATOM 0 HG2 PRO A 112 20.196 7.686 -1.162 1.00 1.00 H new ATOM 0 HG3 PRO A 112 21.382 7.218 0.040 1.00 1.00 H new ATOM 0 HD2 PRO A 112 19.827 5.463 -1.610 1.00 1.00 H new ATOM 0 HD3 PRO A 112 20.928 4.996 -0.328 1.00 1.00 H new ATOM 747 N SER A 113 16.147 7.431 1.085 1.00 1.00 N ATOM 748 CA SER A 113 14.848 7.856 0.593 1.00 1.00 C ATOM 749 C SER A 113 15.007 9.079 -0.312 1.00 1.00 C ATOM 750 O SER A 113 14.106 9.406 -1.084 1.00 1.00 O ATOM 751 CB SER A 113 13.897 8.171 1.750 1.00 1.00 C ATOM 752 OG SER A 113 14.458 7.821 3.012 1.00 1.00 O ATOM 0 H SER A 113 16.315 7.630 2.071 1.00 1.00 H new ATOM 0 HA SER A 113 14.416 7.038 0.016 1.00 1.00 H new ATOM 0 HB2 SER A 113 13.656 9.234 1.742 1.00 1.00 H new ATOM 0 HB3 SER A 113 12.961 7.631 1.607 1.00 1.00 H new ATOM 0 HG SER A 113 15.171 8.454 3.240 1.00 1.00 H new ATOM 758 N ASN A 114 16.158 9.723 -0.187 1.00 1.00 N ATOM 759 CA ASN A 114 16.445 10.903 -0.984 1.00 1.00 C ATOM 760 C ASN A 114 16.685 10.486 -2.437 1.00 1.00 C ATOM 761 O ASN A 114 16.639 11.319 -3.341 1.00 1.00 O ATOM 762 CB ASN A 114 17.704 11.613 -0.483 1.00 1.00 C ATOM 763 CG ASN A 114 18.895 10.654 -0.440 1.00 1.00 C ATOM 764 OD1 ASN A 114 19.168 9.920 -1.376 1.00 1.00 O ATOM 765 ND2 ASN A 114 19.587 10.700 0.694 1.00 1.00 N ATOM 0 H ASN A 114 16.903 9.450 0.454 1.00 1.00 H new ATOM 0 HA ASN A 114 15.593 11.579 -0.904 1.00 1.00 H new ATOM 0 HB2 ASN A 114 17.934 12.455 -1.135 1.00 1.00 H new ATOM 0 HB3 ASN A 114 17.524 12.020 0.512 1.00 1.00 H new ATOM 0 HD21 ASN A 114 20.401 10.098 0.820 1.00 1.00 H new ATOM 0 HD22 ASN A 114 19.305 11.338 1.438 1.00 1.00 H new ATOM 772 N TYR A 115 16.936 9.198 -2.616 1.00 1.00 N ATOM 773 CA TYR A 115 17.182 8.660 -3.943 1.00 1.00 C ATOM 774 C TYR A 115 16.070 7.695 -4.359 1.00 1.00 C ATOM 775 O TYR A 115 16.058 7.207 -5.488 1.00 1.00 O ATOM 776 CB TYR A 115 18.500 7.889 -3.847 1.00 1.00 C ATOM 777 CG TYR A 115 19.746 8.767 -3.983 1.00 1.00 C ATOM 778 CD1 TYR A 115 19.629 10.142 -3.944 1.00 1.00 C ATOM 779 CD2 TYR A 115 20.987 8.185 -4.144 1.00 1.00 C ATOM 780 CE1 TYR A 115 20.801 10.969 -4.072 1.00 1.00 C ATOM 781 CE2 TYR A 115 22.159 9.011 -4.272 1.00 1.00 C ATOM 782 CZ TYR A 115 22.008 10.362 -4.229 1.00 1.00 C ATOM 783 OH TYR A 115 23.116 11.143 -4.350 1.00 1.00 O ATOM 0 H TYR A 115 16.974 8.510 -1.864 1.00 1.00 H new ATOM 0 HA TYR A 115 17.218 9.461 -4.681 1.00 1.00 H new ATOM 0 HB2 TYR A 115 18.537 7.370 -2.889 1.00 1.00 H new ATOM 0 HB3 TYR A 115 18.520 7.125 -4.624 1.00 1.00 H new ATOM 0 HD1 TYR A 115 18.658 10.598 -3.817 1.00 1.00 H new ATOM 0 HD2 TYR A 115 21.079 7.109 -4.174 1.00 1.00 H new ATOM 0 HE1 TYR A 115 20.723 12.046 -4.044 1.00 1.00 H new ATOM 0 HE2 TYR A 115 23.136 8.568 -4.399 1.00 1.00 H new ATOM 0 HH TYR A 115 23.907 10.574 -4.455 1.00 1.00 H new ATOM 793 N ILE A 116 15.163 7.450 -3.425 1.00 1.00 N ATOM 794 CA ILE A 116 14.050 6.552 -3.681 1.00 1.00 C ATOM 795 C ILE A 116 12.748 7.222 -3.237 1.00 1.00 C ATOM 796 O ILE A 116 12.718 7.919 -2.224 1.00 1.00 O ATOM 797 CB ILE A 116 14.296 5.192 -3.024 1.00 1.00 C ATOM 798 CG1 ILE A 116 15.755 4.760 -3.188 1.00 1.00 C ATOM 799 CG2 ILE A 116 13.323 4.140 -3.561 1.00 1.00 C ATOM 800 CD1 ILE A 116 16.087 4.499 -4.659 1.00 1.00 C ATOM 0 H ILE A 116 15.176 7.858 -2.490 1.00 1.00 H new ATOM 0 HA ILE A 116 13.959 6.353 -4.749 1.00 1.00 H new ATOM 0 HB ILE A 116 14.107 5.290 -1.955 1.00 1.00 H new ATOM 0 HG12 ILE A 116 16.414 5.534 -2.795 1.00 1.00 H new ATOM 0 HG13 ILE A 116 15.939 3.858 -2.604 1.00 1.00 H new ATOM 0 HG21 ILE A 116 13.519 3.183 -3.078 1.00 1.00 H new ATOM 0 HG22 ILE A 116 12.299 4.450 -3.350 1.00 1.00 H new ATOM 0 HG23 ILE A 116 13.456 4.037 -4.638 1.00 1.00 H new ATOM 0 HD11 ILE A 116 17.130 4.194 -4.748 1.00 1.00 H new ATOM 0 HD12 ILE A 116 15.443 3.708 -5.042 1.00 1.00 H new ATOM 0 HD13 ILE A 116 15.925 5.410 -5.236 1.00 1.00 H new ATOM 812 N THR A 117 11.703 6.988 -4.018 1.00 1.00 N ATOM 813 CA THR A 117 10.402 7.560 -3.718 1.00 1.00 C ATOM 814 C THR A 117 9.347 6.457 -3.607 1.00 1.00 C ATOM 815 O THR A 117 9.514 5.375 -4.167 1.00 1.00 O ATOM 816 CB THR A 117 10.083 8.599 -4.796 1.00 1.00 C ATOM 817 OG1 THR A 117 8.671 8.504 -4.962 1.00 1.00 O ATOM 818 CG2 THR A 117 10.646 8.214 -6.165 1.00 1.00 C ATOM 0 H THR A 117 11.731 6.410 -4.858 1.00 1.00 H new ATOM 0 HA THR A 117 10.404 8.063 -2.751 1.00 1.00 H new ATOM 0 HB THR A 117 10.485 9.567 -4.498 1.00 1.00 H new ATOM 0 HG1 THR A 117 8.378 9.145 -5.643 1.00 1.00 H new ATOM 0 HG21 THR A 117 10.391 8.984 -6.893 1.00 1.00 H new ATOM 0 HG22 THR A 117 11.730 8.121 -6.099 1.00 1.00 H new ATOM 0 HG23 THR A 117 10.218 7.262 -6.480 1.00 1.00 H new ATOM 826 N PRO A 118 8.257 6.779 -2.860 1.00 1.00 N ATOM 827 CA PRO A 118 7.175 5.828 -2.667 1.00 1.00 C ATOM 828 C PRO A 118 6.319 5.709 -3.929 1.00 1.00 C ATOM 829 O PRO A 118 6.573 6.388 -4.923 1.00 1.00 O ATOM 830 CB PRO A 118 6.399 6.352 -1.470 1.00 1.00 C ATOM 831 CG PRO A 118 6.792 7.813 -1.326 1.00 1.00 C ATOM 832 CD PRO A 118 8.026 8.051 -2.181 1.00 1.00 C ATOM 0 HA PRO A 118 7.533 4.816 -2.480 1.00 1.00 H new ATOM 0 HB2 PRO A 118 5.325 6.250 -1.626 1.00 1.00 H new ATOM 0 HB3 PRO A 118 6.645 5.791 -0.569 1.00 1.00 H new ATOM 0 HG2 PRO A 118 5.976 8.461 -1.645 1.00 1.00 H new ATOM 0 HG3 PRO A 118 6.999 8.051 -0.283 1.00 1.00 H new ATOM 0 HD2 PRO A 118 7.863 8.858 -2.896 1.00 1.00 H new ATOM 0 HD3 PRO A 118 8.883 8.335 -1.570 1.00 1.00 H new ATOM 840 N VAL A 119 5.321 4.841 -3.849 1.00 1.00 N ATOM 841 CA VAL A 119 4.425 4.624 -4.972 1.00 1.00 C ATOM 842 C VAL A 119 3.052 5.214 -4.646 1.00 1.00 C ATOM 843 O VAL A 119 2.109 5.069 -5.422 1.00 1.00 O ATOM 844 CB VAL A 119 4.369 3.134 -5.317 1.00 1.00 C ATOM 845 CG1 VAL A 119 3.423 2.879 -6.492 1.00 1.00 C ATOM 846 CG2 VAL A 119 5.767 2.586 -5.609 1.00 1.00 C ATOM 0 H VAL A 119 5.113 4.279 -3.023 1.00 1.00 H new ATOM 0 HA VAL A 119 4.796 5.136 -5.860 1.00 1.00 H new ATOM 0 HB VAL A 119 3.976 2.603 -4.450 1.00 1.00 H new ATOM 0 HG11 VAL A 119 3.401 1.813 -6.717 1.00 1.00 H new ATOM 0 HG12 VAL A 119 2.420 3.215 -6.231 1.00 1.00 H new ATOM 0 HG13 VAL A 119 3.773 3.427 -7.367 1.00 1.00 H new ATOM 0 HG21 VAL A 119 5.699 1.525 -5.851 1.00 1.00 H new ATOM 0 HG22 VAL A 119 6.200 3.124 -6.453 1.00 1.00 H new ATOM 0 HG23 VAL A 119 6.400 2.718 -4.731 1.00 1.00 H new ATOM 856 N SER A 120 2.983 5.868 -3.495 1.00 1.00 N ATOM 857 CA SER A 120 1.741 6.481 -3.056 1.00 1.00 C ATOM 858 C SER A 120 1.831 8.002 -3.193 1.00 1.00 C ATOM 859 O SER A 120 1.923 8.662 -2.136 1.00 1.00 O ATOM 860 CB SER A 120 1.417 6.096 -1.611 1.00 1.00 C ATOM 861 OG SER A 120 2.349 6.655 -0.689 1.00 1.00 O ATOM 862 OXT SER A 120 1.812 8.531 -4.304 1.00 1.00 O ATOM 0 H SER A 120 3.767 5.986 -2.854 1.00 1.00 H new ATOM 0 HA SER A 120 0.935 6.113 -3.691 1.00 1.00 H new ATOM 0 HB2 SER A 120 0.412 6.436 -1.362 1.00 1.00 H new ATOM 0 HB3 SER A 120 1.419 5.010 -1.516 1.00 1.00 H new ATOM 0 HG SER A 120 2.308 7.633 -0.735 1.00 1.00 H new TER 868 SER A 120