USER MOD reduce.3.24.130724 H: found=0, std=0, add=418, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 418 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 103 GLN : amide:sc= -6.09! C(o=-8.2!,f=-9.1!) USER MOD Set 1.2: A 108 GLN : amide:sc= -2.15! C(o=-8.2!,f=-9.1!) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 24:sc= 0.485 USER MOD Single : A 78 ASN : amide:sc= -0.261 K(o=-0.26,f=-1.9!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 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 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -3.76! C(o=-3.8!,f=-8.6!) USER MOD Single : A 95 HIS : no HD1:sc= -0.549 X(o=-0.55,f=-0.92) USER MOD Single : A 96 ASN : amide:sc= -1.75 K(o=-1.8,f=-0.57!) USER MOD Single : A 100 CYS SG : rot 178:sc= -1.03 USER MOD Single : A 104 THR OG1 : rot -35:sc= -3.35! USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 SER OG : rot 52:sc= 0.111 USER MOD Single : A 114 ASN : amide:sc= -1.63 X(o=-1.6,f=-1.4!) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 THR OG1 : rot 180:sc= -1.66 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- 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 6.332 1.411 -2.161 1.00 1.00 C ATOM 15 O LEU A 65 5.562 2.322 -2.462 1.00 1.00 O ATOM 16 CB LEU A 65 6.419 -1.067 -2.805 1.00 1.00 C ATOM 17 CG LEU A 65 6.408 -2.497 -2.261 1.00 1.00 C ATOM 18 CD1 LEU A 65 7.068 -2.565 -0.883 1.00 1.00 C ATOM 19 CD2 LEU A 65 4.988 -3.067 -2.245 1.00 1.00 C ATOM 0 HA LEU A 65 6.094 -0.268 -0.884 1.00 1.00 H new ATOM 0 HB2 LEU A 65 5.889 -1.058 -3.758 1.00 1.00 H new ATOM 0 HB3 LEU A 65 7.452 -0.786 -3.012 1.00 1.00 H new ATOM 0 HG LEU A 65 6.998 -3.122 -2.932 1.00 1.00 H new ATOM 0 HD11 LEU A 65 7.047 -3.592 -0.520 1.00 1.00 H new ATOM 0 HD12 LEU A 65 8.102 -2.228 -0.958 1.00 1.00 H new ATOM 0 HD13 LEU A 65 6.526 -1.923 -0.188 1.00 1.00 H new ATOM 0 HD21 LEU A 65 5.009 -4.084 -1.854 1.00 1.00 H new ATOM 0 HD22 LEU A 65 4.354 -2.447 -1.611 1.00 1.00 H new ATOM 0 HD23 LEU A 65 4.588 -3.076 -3.259 1.00 1.00 H new ATOM 31 N PHE A 66 7.644 1.548 -2.036 1.00 1.00 N ATOM 32 CA PHE A 66 8.286 2.833 -2.256 1.00 1.00 C ATOM 33 C PHE A 66 9.335 2.739 -3.365 1.00 1.00 C ATOM 34 O PHE A 66 9.902 1.673 -3.600 1.00 1.00 O ATOM 35 CB PHE A 66 8.979 3.216 -0.946 1.00 1.00 C ATOM 36 CG PHE A 66 8.319 2.627 0.302 1.00 1.00 C ATOM 37 CD1 PHE A 66 8.517 1.321 0.625 1.00 1.00 C ATOM 38 CD2 PHE A 66 7.535 3.410 1.090 1.00 1.00 C ATOM 39 CE1 PHE A 66 7.905 0.774 1.783 1.00 1.00 C ATOM 40 CE2 PHE A 66 6.922 2.864 2.249 1.00 1.00 C ATOM 41 CZ PHE A 66 7.121 1.558 2.571 1.00 1.00 C ATOM 0 H PHE A 66 8.280 0.791 -1.785 1.00 1.00 H new ATOM 0 HA PHE A 66 7.544 3.573 -2.556 1.00 1.00 H new ATOM 0 HB2 PHE A 66 10.017 2.886 -0.986 1.00 1.00 H new ATOM 0 HB3 PHE A 66 8.993 4.302 -0.859 1.00 1.00 H new ATOM 0 HD1 PHE A 66 9.141 0.699 -0.000 1.00 1.00 H new ATOM 0 HD2 PHE A 66 7.378 4.448 0.834 1.00 1.00 H new ATOM 0 HE1 PHE A 66 8.062 -0.264 2.038 1.00 1.00 H new ATOM 0 HE2 PHE A 66 6.298 3.486 2.874 1.00 1.00 H new ATOM 0 HZ PHE A 66 6.656 1.143 3.453 1.00 1.00 H new ATOM 51 N VAL A 67 9.562 3.869 -4.019 1.00 1.00 N ATOM 52 CA VAL A 67 10.533 3.927 -5.098 1.00 1.00 C ATOM 53 C VAL A 67 11.602 4.968 -4.761 1.00 1.00 C ATOM 54 O VAL A 67 11.339 5.917 -4.023 1.00 1.00 O ATOM 55 CB VAL A 67 9.824 4.207 -6.425 1.00 1.00 C ATOM 56 CG1 VAL A 67 9.518 2.906 -7.168 1.00 1.00 C ATOM 57 CG2 VAL A 67 8.550 5.025 -6.204 1.00 1.00 C ATOM 0 H VAL A 67 9.090 4.752 -3.822 1.00 1.00 H new ATOM 0 HA VAL A 67 11.037 2.967 -5.210 1.00 1.00 H new ATOM 0 HB VAL A 67 10.497 4.797 -7.047 1.00 1.00 H new ATOM 0 HG11 VAL A 67 9.014 3.133 -8.107 1.00 1.00 H new ATOM 0 HG12 VAL A 67 10.449 2.377 -7.374 1.00 1.00 H new ATOM 0 HG13 VAL A 67 8.873 2.279 -6.553 1.00 1.00 H new ATOM 0 HG21 VAL A 67 8.066 5.210 -7.163 1.00 1.00 H new ATOM 0 HG22 VAL A 67 7.871 4.472 -5.555 1.00 1.00 H new ATOM 0 HG23 VAL A 67 8.805 5.976 -5.737 1.00 1.00 H new ATOM 67 N ALA A 68 12.786 4.755 -5.316 1.00 1.00 N ATOM 68 CA ALA A 68 13.896 5.663 -5.083 1.00 1.00 C ATOM 69 C ALA A 68 13.678 6.946 -5.887 1.00 1.00 C ATOM 70 O ALA A 68 13.975 6.994 -7.080 1.00 1.00 O ATOM 71 CB ALA A 68 15.210 4.966 -5.444 1.00 1.00 C ATOM 0 H ALA A 68 13.001 3.967 -5.927 1.00 1.00 H new ATOM 0 HA ALA A 68 13.951 5.939 -4.030 1.00 1.00 H new ATOM 0 HB1 ALA A 68 16.043 5.647 -5.269 1.00 1.00 H new ATOM 0 HB2 ALA A 68 15.332 4.077 -4.825 1.00 1.00 H new ATOM 0 HB3 ALA A 68 15.192 4.677 -6.495 1.00 1.00 H new ATOM 77 N LEU A 69 13.159 7.955 -5.201 1.00 1.00 N ATOM 78 CA LEU A 69 12.897 9.235 -5.837 1.00 1.00 C ATOM 79 C LEU A 69 14.174 10.078 -5.820 1.00 1.00 C ATOM 80 O LEU A 69 14.493 10.748 -6.801 1.00 1.00 O ATOM 81 CB LEU A 69 11.697 9.922 -5.182 1.00 1.00 C ATOM 82 CG LEU A 69 10.535 10.274 -6.113 1.00 1.00 C ATOM 83 CD1 LEU A 69 9.190 10.010 -5.435 1.00 1.00 C ATOM 84 CD2 LEU A 69 10.652 11.714 -6.615 1.00 1.00 C ATOM 0 H LEU A 69 12.913 7.912 -4.212 1.00 1.00 H new ATOM 0 HA LEU A 69 12.622 9.093 -6.882 1.00 1.00 H new ATOM 0 HB2 LEU A 69 11.319 9.274 -4.391 1.00 1.00 H new ATOM 0 HB3 LEU A 69 12.044 10.838 -4.704 1.00 1.00 H new ATOM 0 HG LEU A 69 10.588 9.624 -6.986 1.00 1.00 H new ATOM 0 HD11 LEU A 69 8.381 10.269 -6.118 1.00 1.00 H new ATOM 0 HD12 LEU A 69 9.117 8.955 -5.169 1.00 1.00 H new ATOM 0 HD13 LEU A 69 9.112 10.618 -4.533 1.00 1.00 H new ATOM 0 HD21 LEU A 69 9.814 11.939 -7.275 1.00 1.00 H new ATOM 0 HD22 LEU A 69 10.639 12.397 -5.766 1.00 1.00 H new ATOM 0 HD23 LEU A 69 11.587 11.834 -7.163 1.00 1.00 H new ATOM 96 N TYR A 70 14.870 10.019 -4.694 1.00 1.00 N ATOM 97 CA TYR A 70 16.104 10.769 -4.537 1.00 1.00 C ATOM 98 C TYR A 70 17.322 9.885 -4.816 1.00 1.00 C ATOM 99 O TYR A 70 17.216 8.660 -4.819 1.00 1.00 O ATOM 100 CB TYR A 70 16.140 11.219 -3.075 1.00 1.00 C ATOM 101 CG TYR A 70 15.238 12.417 -2.771 1.00 1.00 C ATOM 102 CD1 TYR A 70 13.901 12.220 -2.491 1.00 1.00 C ATOM 103 CD2 TYR A 70 15.760 13.694 -2.777 1.00 1.00 C ATOM 104 CE1 TYR A 70 13.051 13.347 -2.205 1.00 1.00 C ATOM 105 CE2 TYR A 70 14.911 14.821 -2.490 1.00 1.00 C ATOM 106 CZ TYR A 70 13.598 14.592 -2.218 1.00 1.00 C ATOM 107 OH TYR A 70 12.796 15.656 -1.948 1.00 1.00 O ATOM 0 H TYR A 70 14.602 9.463 -3.882 1.00 1.00 H new ATOM 0 HA TYR A 70 16.136 11.607 -5.234 1.00 1.00 H new ATOM 0 HB2 TYR A 70 15.843 10.384 -2.441 1.00 1.00 H new ATOM 0 HB3 TYR A 70 17.166 11.473 -2.809 1.00 1.00 H new ATOM 0 HD1 TYR A 70 13.492 11.220 -2.486 1.00 1.00 H new ATOM 0 HD2 TYR A 70 16.806 13.848 -2.997 1.00 1.00 H new ATOM 0 HE1 TYR A 70 12.003 13.207 -1.985 1.00 1.00 H new ATOM 0 HE2 TYR A 70 15.308 15.825 -2.491 1.00 1.00 H new ATOM 0 HH TYR A 70 13.322 16.482 -1.992 1.00 1.00 H new ATOM 117 N ASP A 71 18.450 10.542 -5.042 1.00 1.00 N ATOM 118 CA ASP A 71 19.686 9.832 -5.321 1.00 1.00 C ATOM 119 C ASP A 71 20.486 9.680 -4.026 1.00 1.00 C ATOM 120 O ASP A 71 20.334 10.477 -3.102 1.00 1.00 O ATOM 121 CB ASP A 71 20.550 10.601 -6.322 1.00 1.00 C ATOM 122 CG ASP A 71 19.772 11.347 -7.409 1.00 1.00 C ATOM 123 OD1 ASP A 71 18.885 12.141 -7.028 1.00 1.00 O ATOM 124 OD2 ASP A 71 20.082 11.106 -8.595 1.00 1.00 O ATOM 0 H ASP A 71 18.534 11.559 -5.038 1.00 1.00 H new ATOM 0 HA ASP A 71 19.428 8.859 -5.740 1.00 1.00 H new ATOM 0 HB2 ASP A 71 21.161 11.320 -5.775 1.00 1.00 H new ATOM 0 HB3 ASP A 71 21.234 9.901 -6.802 1.00 1.00 H new ATOM 129 N PHE A 72 21.320 8.651 -4.000 1.00 1.00 N ATOM 130 CA PHE A 72 22.144 8.384 -2.833 1.00 1.00 C ATOM 131 C PHE A 72 23.619 8.261 -3.220 1.00 1.00 C ATOM 132 O PHE A 72 23.981 7.420 -4.042 1.00 1.00 O ATOM 133 CB PHE A 72 21.670 7.053 -2.245 1.00 1.00 C ATOM 134 CG PHE A 72 22.404 6.640 -0.969 1.00 1.00 C ATOM 135 CD1 PHE A 72 23.708 6.258 -1.028 1.00 1.00 C ATOM 136 CD2 PHE A 72 21.754 6.654 0.225 1.00 1.00 C ATOM 137 CE1 PHE A 72 24.391 5.874 0.156 1.00 1.00 C ATOM 138 CE2 PHE A 72 22.436 6.270 1.410 1.00 1.00 C ATOM 139 CZ PHE A 72 23.740 5.888 1.351 1.00 1.00 C ATOM 0 H PHE A 72 21.443 7.992 -4.769 1.00 1.00 H new ATOM 0 HA PHE A 72 22.051 9.201 -2.117 1.00 1.00 H new ATOM 0 HB2 PHE A 72 20.603 7.121 -2.032 1.00 1.00 H new ATOM 0 HB3 PHE A 72 21.797 6.271 -2.994 1.00 1.00 H new ATOM 0 HD1 PHE A 72 24.224 6.247 -1.976 1.00 1.00 H new ATOM 0 HD2 PHE A 72 20.719 6.957 0.272 1.00 1.00 H new ATOM 0 HE1 PHE A 72 25.427 5.571 0.108 1.00 1.00 H new ATOM 0 HE2 PHE A 72 21.919 6.281 2.358 1.00 1.00 H new ATOM 0 HZ PHE A 72 24.259 5.596 2.252 1.00 1.00 H new ATOM 149 N VAL A 73 24.431 9.111 -2.609 1.00 1.00 N ATOM 150 CA VAL A 73 25.858 9.108 -2.879 1.00 1.00 C ATOM 151 C VAL A 73 26.624 9.186 -1.556 1.00 1.00 C ATOM 152 O VAL A 73 27.589 9.940 -1.437 1.00 1.00 O ATOM 153 CB VAL A 73 26.212 10.242 -3.842 1.00 1.00 C ATOM 154 CG1 VAL A 73 27.699 10.216 -4.199 1.00 1.00 C ATOM 155 CG2 VAL A 73 25.345 10.182 -5.102 1.00 1.00 C ATOM 0 H VAL A 73 24.127 9.807 -1.928 1.00 1.00 H new ATOM 0 HA VAL A 73 26.151 8.180 -3.370 1.00 1.00 H new ATOM 0 HB VAL A 73 26.006 11.186 -3.337 1.00 1.00 H new ATOM 0 HG11 VAL A 73 27.923 11.033 -4.885 1.00 1.00 H new ATOM 0 HG12 VAL A 73 28.293 10.330 -3.292 1.00 1.00 H new ATOM 0 HG13 VAL A 73 27.942 9.266 -4.675 1.00 1.00 H new ATOM 0 HG21 VAL A 73 25.617 10.999 -5.770 1.00 1.00 H new ATOM 0 HG22 VAL A 73 25.505 9.230 -5.609 1.00 1.00 H new ATOM 0 HG23 VAL A 73 24.295 10.274 -4.826 1.00 1.00 H new ATOM 165 N ALA A 74 26.164 8.398 -0.595 1.00 1.00 N ATOM 166 CA ALA A 74 26.793 8.370 0.714 1.00 1.00 C ATOM 167 C ALA A 74 28.107 7.591 0.627 1.00 1.00 C ATOM 168 O ALA A 74 28.425 7.017 -0.414 1.00 1.00 O ATOM 169 CB ALA A 74 25.824 7.766 1.733 1.00 1.00 C ATOM 0 H ALA A 74 25.363 7.774 -0.697 1.00 1.00 H new ATOM 0 HA ALA A 74 27.030 9.380 1.048 1.00 1.00 H new ATOM 0 HB1 ALA A 74 26.296 7.745 2.715 1.00 1.00 H new ATOM 0 HB2 ALA A 74 24.919 8.372 1.778 1.00 1.00 H new ATOM 0 HB3 ALA A 74 25.566 6.750 1.432 1.00 1.00 H new ATOM 175 N SER A 75 28.835 7.596 1.734 1.00 1.00 N ATOM 176 CA SER A 75 30.108 6.898 1.795 1.00 1.00 C ATOM 177 C SER A 75 30.356 6.387 3.216 1.00 1.00 C ATOM 178 O SER A 75 30.390 7.171 4.164 1.00 1.00 O ATOM 179 CB SER A 75 31.256 7.805 1.349 1.00 1.00 C ATOM 180 OG SER A 75 31.541 8.818 2.309 1.00 1.00 O ATOM 0 H SER A 75 28.568 8.072 2.596 1.00 1.00 H new ATOM 0 HA SER A 75 30.066 6.049 1.112 1.00 1.00 H new ATOM 0 HB2 SER A 75 32.149 7.203 1.181 1.00 1.00 H new ATOM 0 HB3 SER A 75 31.001 8.270 0.396 1.00 1.00 H new ATOM 0 HG SER A 75 31.240 8.524 3.194 1.00 1.00 H new ATOM 186 N GLY A 76 30.524 5.077 3.319 1.00 1.00 N ATOM 187 CA GLY A 76 30.768 4.453 4.608 1.00 1.00 C ATOM 188 C GLY A 76 30.741 2.928 4.493 1.00 1.00 C ATOM 189 O GLY A 76 31.118 2.373 3.462 1.00 1.00 O ATOM 0 H GLY A 76 30.496 4.430 2.531 1.00 1.00 H new ATOM 0 HA2 GLY A 76 31.735 4.775 4.995 1.00 1.00 H new ATOM 0 HA3 GLY A 76 30.014 4.781 5.323 1.00 1.00 H new ATOM 193 N ASP A 77 30.291 2.293 5.565 1.00 1.00 N ATOM 194 CA ASP A 77 30.209 0.843 5.597 1.00 1.00 C ATOM 195 C ASP A 77 28.747 0.415 5.457 1.00 1.00 C ATOM 196 O ASP A 77 27.840 1.160 5.826 1.00 1.00 O ATOM 197 CB ASP A 77 30.738 0.290 6.923 1.00 1.00 C ATOM 198 CG ASP A 77 32.219 -0.091 6.919 1.00 1.00 C ATOM 199 OD1 ASP A 77 32.965 0.538 6.138 1.00 1.00 O ATOM 200 OD2 ASP A 77 32.572 -1.003 7.697 1.00 1.00 O ATOM 0 H ASP A 77 29.979 2.757 6.418 1.00 1.00 H new ATOM 0 HA ASP A 77 30.812 0.454 4.777 1.00 1.00 H new ATOM 0 HB2 ASP A 77 30.572 1.034 7.702 1.00 1.00 H new ATOM 0 HB3 ASP A 77 30.153 -0.589 7.192 1.00 1.00 H new ATOM 205 N ASN A 78 28.562 -0.783 4.922 1.00 1.00 N ATOM 206 CA ASN A 78 27.226 -1.318 4.728 1.00 1.00 C ATOM 207 C ASN A 78 26.298 -0.200 4.248 1.00 1.00 C ATOM 208 O ASN A 78 25.412 0.234 4.982 1.00 1.00 O ATOM 209 CB ASN A 78 26.659 -1.873 6.037 1.00 1.00 C ATOM 210 CG ASN A 78 27.662 -2.809 6.715 1.00 1.00 C ATOM 211 OD1 ASN A 78 28.578 -2.387 7.401 1.00 1.00 O ATOM 212 ND2 ASN A 78 27.437 -4.100 6.485 1.00 1.00 N ATOM 0 H ASN A 78 29.316 -1.398 4.617 1.00 1.00 H new ATOM 0 HA ASN A 78 27.288 -2.120 3.993 1.00 1.00 H new ATOM 0 HB2 ASN A 78 26.412 -1.051 6.708 1.00 1.00 H new ATOM 0 HB3 ASN A 78 25.732 -2.410 5.837 1.00 1.00 H new ATOM 0 HD21 ASN A 78 28.050 -4.805 6.893 1.00 1.00 H new ATOM 0 HD22 ASN A 78 26.651 -4.384 5.900 1.00 1.00 H new ATOM 219 N THR A 79 26.533 0.233 3.018 1.00 1.00 N ATOM 220 CA THR A 79 25.730 1.292 2.431 1.00 1.00 C ATOM 221 C THR A 79 25.181 0.854 1.072 1.00 1.00 C ATOM 222 O THR A 79 25.583 -0.179 0.540 1.00 1.00 O ATOM 223 CB THR A 79 26.590 2.555 2.361 1.00 1.00 C ATOM 224 OG1 THR A 79 25.947 3.463 3.251 1.00 1.00 O ATOM 225 CG2 THR A 79 26.506 3.246 0.998 1.00 1.00 C ATOM 0 H THR A 79 27.268 -0.131 2.412 1.00 1.00 H new ATOM 0 HA THR A 79 24.856 1.511 3.044 1.00 1.00 H new ATOM 0 HB THR A 79 27.628 2.299 2.575 1.00 1.00 H new ATOM 0 HG1 THR A 79 26.441 4.309 3.268 1.00 1.00 H new ATOM 0 HG21 THR A 79 27.135 4.136 1.002 1.00 1.00 H new ATOM 0 HG22 THR A 79 26.850 2.563 0.222 1.00 1.00 H new ATOM 0 HG23 THR A 79 25.473 3.532 0.798 1.00 1.00 H new ATOM 233 N LEU A 80 24.271 1.662 0.549 1.00 1.00 N ATOM 234 CA LEU A 80 23.663 1.371 -0.738 1.00 1.00 C ATOM 235 C LEU A 80 23.630 2.647 -1.582 1.00 1.00 C ATOM 236 O LEU A 80 22.972 3.620 -1.218 1.00 1.00 O ATOM 237 CB LEU A 80 22.289 0.724 -0.548 1.00 1.00 C ATOM 238 CG LEU A 80 21.896 -0.332 -1.583 1.00 1.00 C ATOM 239 CD1 LEU A 80 20.590 -1.025 -1.190 1.00 1.00 C ATOM 240 CD2 LEU A 80 21.823 0.276 -2.985 1.00 1.00 C ATOM 0 H LEU A 80 23.940 2.518 0.993 1.00 1.00 H new ATOM 0 HA LEU A 80 24.260 0.642 -1.285 1.00 1.00 H new ATOM 0 HB2 LEU A 80 22.259 0.264 0.440 1.00 1.00 H new ATOM 0 HB3 LEU A 80 21.535 1.511 -0.556 1.00 1.00 H new ATOM 0 HG LEU A 80 22.673 -1.097 -1.603 1.00 1.00 H new ATOM 0 HD11 LEU A 80 20.333 -1.771 -1.942 1.00 1.00 H new ATOM 0 HD12 LEU A 80 20.714 -1.513 -0.223 1.00 1.00 H new ATOM 0 HD13 LEU A 80 19.791 -0.286 -1.124 1.00 1.00 H new ATOM 0 HD21 LEU A 80 21.542 -0.495 -3.702 1.00 1.00 H new ATOM 0 HD22 LEU A 80 21.079 1.072 -2.998 1.00 1.00 H new ATOM 0 HD23 LEU A 80 22.797 0.685 -3.255 1.00 1.00 H new ATOM 252 N SER A 81 24.349 2.601 -2.695 1.00 1.00 N ATOM 253 CA SER A 81 24.411 3.740 -3.593 1.00 1.00 C ATOM 254 C SER A 81 23.595 3.456 -4.856 1.00 1.00 C ATOM 255 O SER A 81 23.959 2.593 -5.654 1.00 1.00 O ATOM 256 CB SER A 81 25.858 4.075 -3.961 1.00 1.00 C ATOM 257 OG SER A 81 26.647 4.365 -2.810 1.00 1.00 O ATOM 0 H SER A 81 24.893 1.792 -2.994 1.00 1.00 H new ATOM 0 HA SER A 81 23.986 4.603 -3.079 1.00 1.00 H new ATOM 0 HB2 SER A 81 26.298 3.237 -4.501 1.00 1.00 H new ATOM 0 HB3 SER A 81 25.872 4.931 -4.635 1.00 1.00 H new ATOM 0 HG SER A 81 27.564 4.572 -3.086 1.00 1.00 H new ATOM 263 N ILE A 82 22.506 4.198 -4.998 1.00 1.00 N ATOM 264 CA ILE A 82 21.636 4.036 -6.150 1.00 1.00 C ATOM 265 C ILE A 82 21.401 5.401 -6.802 1.00 1.00 C ATOM 266 O ILE A 82 21.944 6.409 -6.353 1.00 1.00 O ATOM 267 CB ILE A 82 20.347 3.316 -5.751 1.00 1.00 C ATOM 268 CG1 ILE A 82 20.349 2.974 -4.260 1.00 1.00 C ATOM 269 CG2 ILE A 82 20.118 2.079 -6.622 1.00 1.00 C ATOM 270 CD1 ILE A 82 19.893 4.170 -3.422 1.00 1.00 C ATOM 0 H ILE A 82 22.207 4.913 -4.334 1.00 1.00 H new ATOM 0 HA ILE A 82 22.110 3.401 -6.899 1.00 1.00 H new ATOM 0 HB ILE A 82 19.510 3.992 -5.925 1.00 1.00 H new ATOM 0 HG12 ILE A 82 19.690 2.125 -4.077 1.00 1.00 H new ATOM 0 HG13 ILE A 82 21.351 2.672 -3.954 1.00 1.00 H new ATOM 0 HG21 ILE A 82 19.195 1.585 -6.318 1.00 1.00 H new ATOM 0 HG22 ILE A 82 20.041 2.379 -7.667 1.00 1.00 H new ATOM 0 HG23 ILE A 82 20.954 1.390 -6.503 1.00 1.00 H new ATOM 0 HD11 ILE A 82 19.904 3.900 -2.366 1.00 1.00 H new ATOM 0 HD12 ILE A 82 20.568 5.009 -3.588 1.00 1.00 H new ATOM 0 HD13 ILE A 82 18.882 4.454 -3.714 1.00 1.00 H new ATOM 282 N THR A 83 20.591 5.388 -7.851 1.00 1.00 N ATOM 283 CA THR A 83 20.278 6.612 -8.568 1.00 1.00 C ATOM 284 C THR A 83 18.767 6.857 -8.571 1.00 1.00 C ATOM 285 O THR A 83 17.984 5.930 -8.371 1.00 1.00 O ATOM 286 CB THR A 83 20.878 6.504 -9.972 1.00 1.00 C ATOM 287 OG1 THR A 83 22.178 5.962 -9.752 1.00 1.00 O ATOM 288 CG2 THR A 83 21.147 7.873 -10.600 1.00 1.00 C ATOM 0 H THR A 83 20.143 4.550 -8.221 1.00 1.00 H new ATOM 0 HA THR A 83 20.716 7.481 -8.077 1.00 1.00 H new ATOM 0 HB THR A 83 20.203 5.937 -10.613 1.00 1.00 H new ATOM 0 HG1 THR A 83 22.638 5.857 -10.611 1.00 1.00 H new ATOM 0 HG21 THR A 83 21.572 7.740 -11.595 1.00 1.00 H new ATOM 0 HG22 THR A 83 20.212 8.428 -10.676 1.00 1.00 H new ATOM 0 HG23 THR A 83 21.849 8.428 -9.977 1.00 1.00 H new ATOM 296 N LYS A 84 18.404 8.110 -8.801 1.00 1.00 N ATOM 297 CA LYS A 84 17.001 8.488 -8.833 1.00 1.00 C ATOM 298 C LYS A 84 16.302 7.742 -9.970 1.00 1.00 C ATOM 299 O LYS A 84 16.917 6.923 -10.651 1.00 1.00 O ATOM 300 CB LYS A 84 16.858 10.009 -8.915 1.00 1.00 C ATOM 301 CG LYS A 84 16.780 10.474 -10.371 1.00 1.00 C ATOM 302 CD LYS A 84 15.339 10.807 -10.763 1.00 1.00 C ATOM 303 CE LYS A 84 15.217 12.261 -11.222 1.00 1.00 C ATOM 304 NZ LYS A 84 15.869 12.446 -12.538 1.00 1.00 N ATOM 0 H LYS A 84 19.056 8.876 -8.967 1.00 1.00 H new ATOM 0 HA LYS A 84 16.506 8.194 -7.907 1.00 1.00 H new ATOM 0 HB2 LYS A 84 15.961 10.323 -8.381 1.00 1.00 H new ATOM 0 HB3 LYS A 84 17.706 10.485 -8.422 1.00 1.00 H new ATOM 0 HG2 LYS A 84 17.411 11.352 -10.511 1.00 1.00 H new ATOM 0 HG3 LYS A 84 17.168 9.695 -11.027 1.00 1.00 H new ATOM 0 HD2 LYS A 84 15.013 10.141 -11.562 1.00 1.00 H new ATOM 0 HD3 LYS A 84 14.678 10.633 -9.914 1.00 1.00 H new ATOM 0 HE2 LYS A 84 14.166 12.541 -11.288 1.00 1.00 H new ATOM 0 HE3 LYS A 84 15.677 12.921 -10.486 1.00 1.00 H new ATOM 0 HZ1 LYS A 84 15.777 13.439 -12.835 1.00 1.00 H new ATOM 0 HZ2 LYS A 84 16.876 12.199 -12.464 1.00 1.00 H new ATOM 0 HZ3 LYS A 84 15.412 11.831 -13.241 1.00 1.00 H new ATOM 318 N GLY A 85 15.025 8.052 -10.141 1.00 1.00 N ATOM 319 CA GLY A 85 14.235 7.421 -11.185 1.00 1.00 C ATOM 320 C GLY A 85 14.728 6.000 -11.462 1.00 1.00 C ATOM 321 O GLY A 85 14.855 5.597 -12.618 1.00 1.00 O ATOM 0 H GLY A 85 14.518 8.732 -9.574 1.00 1.00 H new ATOM 0 HA2 GLY A 85 13.187 7.395 -10.887 1.00 1.00 H new ATOM 0 HA3 GLY A 85 14.292 8.014 -12.098 1.00 1.00 H new ATOM 325 N GLU A 86 14.993 5.278 -10.383 1.00 1.00 N ATOM 326 CA GLU A 86 15.470 3.910 -10.495 1.00 1.00 C ATOM 327 C GLU A 86 14.482 2.948 -9.833 1.00 1.00 C ATOM 328 O GLU A 86 13.709 3.347 -8.964 1.00 1.00 O ATOM 329 CB GLU A 86 16.867 3.765 -9.889 1.00 1.00 C ATOM 330 CG GLU A 86 17.597 2.556 -10.478 1.00 1.00 C ATOM 331 CD GLU A 86 17.403 1.318 -9.601 1.00 1.00 C ATOM 332 OE1 GLU A 86 17.270 1.507 -8.373 1.00 1.00 O ATOM 333 OE2 GLU A 86 17.393 0.209 -10.179 1.00 1.00 O ATOM 0 H GLU A 86 14.886 5.615 -9.426 1.00 1.00 H new ATOM 0 HA GLU A 86 15.541 3.656 -11.553 1.00 1.00 H new ATOM 0 HB2 GLU A 86 17.445 4.670 -10.077 1.00 1.00 H new ATOM 0 HB3 GLU A 86 16.789 3.656 -8.807 1.00 1.00 H new ATOM 0 HG2 GLU A 86 17.225 2.356 -11.483 1.00 1.00 H new ATOM 0 HG3 GLU A 86 18.660 2.778 -10.570 1.00 1.00 H new ATOM 340 N LYS A 87 14.540 1.698 -10.270 1.00 1.00 N ATOM 341 CA LYS A 87 13.660 0.675 -9.730 1.00 1.00 C ATOM 342 C LYS A 87 14.248 0.140 -8.423 1.00 1.00 C ATOM 343 O LYS A 87 14.932 -0.882 -8.419 1.00 1.00 O ATOM 344 CB LYS A 87 13.395 -0.410 -10.776 1.00 1.00 C ATOM 345 CG LYS A 87 11.895 -0.658 -10.941 1.00 1.00 C ATOM 346 CD LYS A 87 11.549 -0.979 -12.396 1.00 1.00 C ATOM 347 CE LYS A 87 11.122 -2.440 -12.549 1.00 1.00 C ATOM 348 NZ LYS A 87 10.677 -2.708 -13.935 1.00 1.00 N ATOM 0 H LYS A 87 15.182 1.371 -10.991 1.00 1.00 H new ATOM 0 HA LYS A 87 12.685 1.099 -9.490 1.00 1.00 H new ATOM 0 HB2 LYS A 87 13.825 -0.111 -11.732 1.00 1.00 H new ATOM 0 HB3 LYS A 87 13.890 -1.335 -10.479 1.00 1.00 H new ATOM 0 HG2 LYS A 87 11.587 -1.484 -10.300 1.00 1.00 H new ATOM 0 HG3 LYS A 87 11.340 0.222 -10.617 1.00 1.00 H new ATOM 0 HD2 LYS A 87 10.746 -0.324 -12.735 1.00 1.00 H new ATOM 0 HD3 LYS A 87 12.412 -0.780 -13.031 1.00 1.00 H new ATOM 0 HE2 LYS A 87 11.954 -3.097 -12.295 1.00 1.00 H new ATOM 0 HE3 LYS A 87 10.315 -2.664 -11.852 1.00 1.00 H new ATOM 0 HZ1 LYS A 87 10.391 -3.704 -14.021 1.00 1.00 H new ATOM 0 HZ2 LYS A 87 9.869 -2.095 -14.165 1.00 1.00 H new ATOM 0 HZ3 LYS A 87 11.458 -2.514 -14.594 1.00 1.00 H new ATOM 362 N LEU A 88 13.961 0.855 -7.345 1.00 1.00 N ATOM 363 CA LEU A 88 14.453 0.465 -6.035 1.00 1.00 C ATOM 364 C LEU A 88 13.368 0.726 -4.989 1.00 1.00 C ATOM 365 O LEU A 88 12.901 1.854 -4.841 1.00 1.00 O ATOM 366 CB LEU A 88 15.781 1.164 -5.732 1.00 1.00 C ATOM 367 CG LEU A 88 16.141 1.304 -4.251 1.00 1.00 C ATOM 368 CD1 LEU A 88 17.455 0.585 -3.937 1.00 1.00 C ATOM 369 CD2 LEU A 88 16.179 2.775 -3.833 1.00 1.00 C ATOM 0 H LEU A 88 13.394 1.703 -7.352 1.00 1.00 H new ATOM 0 HA LEU A 88 14.668 -0.603 -6.011 1.00 1.00 H new ATOM 0 HB2 LEU A 88 16.580 0.615 -6.230 1.00 1.00 H new ATOM 0 HB3 LEU A 88 15.755 2.160 -6.175 1.00 1.00 H new ATOM 0 HG LEU A 88 15.361 0.822 -3.662 1.00 1.00 H new ATOM 0 HD11 LEU A 88 17.688 0.700 -2.878 1.00 1.00 H new ATOM 0 HD12 LEU A 88 17.356 -0.474 -4.174 1.00 1.00 H new ATOM 0 HD13 LEU A 88 18.258 1.017 -4.534 1.00 1.00 H new ATOM 0 HD21 LEU A 88 16.437 2.846 -2.776 1.00 1.00 H new ATOM 0 HD22 LEU A 88 16.926 3.302 -4.426 1.00 1.00 H new ATOM 0 HD23 LEU A 88 15.201 3.226 -3.999 1.00 1.00 H new ATOM 381 N ARG A 89 12.997 -0.337 -4.290 1.00 1.00 N ATOM 382 CA ARG A 89 11.976 -0.238 -3.262 1.00 1.00 C ATOM 383 C ARG A 89 12.437 -0.943 -1.985 1.00 1.00 C ATOM 384 O ARG A 89 13.245 -1.869 -2.041 1.00 1.00 O ATOM 385 CB ARG A 89 10.659 -0.859 -3.732 1.00 1.00 C ATOM 386 CG ARG A 89 10.319 -0.410 -5.155 1.00 1.00 C ATOM 387 CD ARG A 89 10.136 -1.615 -6.081 1.00 1.00 C ATOM 388 NE ARG A 89 8.711 -2.011 -6.121 1.00 1.00 N ATOM 389 CZ ARG A 89 7.793 -1.434 -6.909 1.00 1.00 C ATOM 390 NH1 ARG A 89 8.146 -0.433 -7.726 1.00 1.00 N ATOM 391 NH2 ARG A 89 6.522 -1.859 -6.879 1.00 1.00 N ATOM 0 H ARG A 89 13.386 -1.272 -4.416 1.00 1.00 H new ATOM 0 HA ARG A 89 11.813 0.820 -3.058 1.00 1.00 H new ATOM 0 HB2 ARG A 89 10.732 -1.946 -3.697 1.00 1.00 H new ATOM 0 HB3 ARG A 89 9.855 -0.572 -3.054 1.00 1.00 H new ATOM 0 HG2 ARG A 89 9.407 0.186 -5.144 1.00 1.00 H new ATOM 0 HG3 ARG A 89 11.114 0.230 -5.538 1.00 1.00 H new ATOM 0 HD2 ARG A 89 10.482 -1.368 -7.085 1.00 1.00 H new ATOM 0 HD3 ARG A 89 10.744 -2.449 -5.730 1.00 1.00 H new ATOM 0 HE ARG A 89 8.408 -2.770 -5.511 1.00 1.00 H new ATOM 0 HH11 ARG A 89 9.113 -0.110 -7.748 1.00 1.00 H new ATOM 0 HH12 ARG A 89 7.448 0.006 -8.326 1.00 1.00 H new ATOM 0 HH21 ARG A 89 6.254 -2.621 -6.257 1.00 1.00 H new ATOM 0 HH22 ARG A 89 5.823 -1.420 -7.479 1.00 1.00 H new ATOM 405 N VAL A 90 11.903 -0.479 -0.865 1.00 1.00 N ATOM 406 CA VAL A 90 12.250 -1.054 0.424 1.00 1.00 C ATOM 407 C VAL A 90 11.654 -2.459 0.527 1.00 1.00 C ATOM 408 O VAL A 90 10.495 -2.673 0.175 1.00 1.00 O ATOM 409 CB VAL A 90 11.793 -0.126 1.551 1.00 1.00 C ATOM 410 CG1 VAL A 90 12.019 -0.773 2.919 1.00 1.00 C ATOM 411 CG2 VAL A 90 12.495 1.230 1.463 1.00 1.00 C ATOM 0 H VAL A 90 11.233 0.289 -0.823 1.00 1.00 H new ATOM 0 HA VAL A 90 13.331 -1.152 0.521 1.00 1.00 H new ATOM 0 HB VAL A 90 10.723 0.043 1.433 1.00 1.00 H new ATOM 0 HG11 VAL A 90 11.686 -0.093 3.703 1.00 1.00 H new ATOM 0 HG12 VAL A 90 11.452 -1.702 2.980 1.00 1.00 H new ATOM 0 HG13 VAL A 90 13.080 -0.986 3.050 1.00 1.00 H new ATOM 0 HG21 VAL A 90 12.152 1.871 2.276 1.00 1.00 H new ATOM 0 HG22 VAL A 90 13.573 1.088 1.543 1.00 1.00 H new ATOM 0 HG23 VAL A 90 12.261 1.699 0.508 1.00 1.00 H new ATOM 421 N LEU A 91 12.473 -3.381 1.012 1.00 1.00 N ATOM 422 CA LEU A 91 12.041 -4.760 1.166 1.00 1.00 C ATOM 423 C LEU A 91 11.767 -5.041 2.645 1.00 1.00 C ATOM 424 O LEU A 91 10.771 -5.678 2.985 1.00 1.00 O ATOM 425 CB LEU A 91 13.058 -5.714 0.537 1.00 1.00 C ATOM 426 CG LEU A 91 12.615 -6.413 -0.750 1.00 1.00 C ATOM 427 CD1 LEU A 91 13.819 -6.762 -1.627 1.00 1.00 C ATOM 428 CD2 LEU A 91 11.757 -7.641 -0.439 1.00 1.00 C ATOM 0 H LEU A 91 13.434 -3.200 1.303 1.00 1.00 H new ATOM 0 HA LEU A 91 11.107 -4.929 0.630 1.00 1.00 H new ATOM 0 HB2 LEU A 91 13.970 -5.155 0.328 1.00 1.00 H new ATOM 0 HB3 LEU A 91 13.314 -6.477 1.272 1.00 1.00 H new ATOM 0 HG LEU A 91 11.993 -5.721 -1.318 1.00 1.00 H new ATOM 0 HD11 LEU A 91 13.476 -7.258 -2.535 1.00 1.00 H new ATOM 0 HD12 LEU A 91 14.353 -5.849 -1.891 1.00 1.00 H new ATOM 0 HD13 LEU A 91 14.487 -7.428 -1.080 1.00 1.00 H new ATOM 0 HD21 LEU A 91 11.455 -8.119 -1.371 1.00 1.00 H new ATOM 0 HD22 LEU A 91 12.334 -8.345 0.161 1.00 1.00 H new ATOM 0 HD23 LEU A 91 10.870 -7.334 0.115 1.00 1.00 H new ATOM 440 N GLY A 92 12.668 -4.553 3.484 1.00 1.00 N ATOM 441 CA GLY A 92 12.536 -4.744 4.919 1.00 1.00 C ATOM 442 C GLY A 92 13.088 -3.540 5.685 1.00 1.00 C ATOM 443 O GLY A 92 13.830 -2.732 5.129 1.00 1.00 O ATOM 0 H GLY A 92 13.493 -4.025 3.198 1.00 1.00 H new ATOM 0 HA2 GLY A 92 11.487 -4.893 5.175 1.00 1.00 H new ATOM 0 HA3 GLY A 92 13.068 -5.646 5.220 1.00 1.00 H new ATOM 447 N TYR A 93 12.704 -3.459 6.951 1.00 1.00 N ATOM 448 CA TYR A 93 13.152 -2.368 7.800 1.00 1.00 C ATOM 449 C TYR A 93 13.903 -2.897 9.023 1.00 1.00 C ATOM 450 O TYR A 93 13.700 -4.038 9.435 1.00 1.00 O ATOM 451 CB TYR A 93 11.884 -1.650 8.267 1.00 1.00 C ATOM 452 CG TYR A 93 10.701 -1.788 7.306 1.00 1.00 C ATOM 453 CD1 TYR A 93 9.899 -2.910 7.356 1.00 1.00 C ATOM 454 CD2 TYR A 93 10.436 -0.790 6.390 1.00 1.00 C ATOM 455 CE1 TYR A 93 8.785 -3.040 6.452 1.00 1.00 C ATOM 456 CE2 TYR A 93 9.323 -0.920 5.486 1.00 1.00 C ATOM 457 CZ TYR A 93 8.553 -2.039 5.561 1.00 1.00 C ATOM 458 OH TYR A 93 7.501 -2.161 4.707 1.00 1.00 O ATOM 0 H TYR A 93 12.088 -4.131 7.409 1.00 1.00 H new ATOM 0 HA TYR A 93 13.829 -1.711 7.254 1.00 1.00 H new ATOM 0 HB2 TYR A 93 11.595 -2.042 9.242 1.00 1.00 H new ATOM 0 HB3 TYR A 93 12.107 -0.592 8.403 1.00 1.00 H new ATOM 0 HD1 TYR A 93 10.107 -3.691 8.073 1.00 1.00 H new ATOM 0 HD2 TYR A 93 11.063 0.088 6.351 1.00 1.00 H new ATOM 0 HE1 TYR A 93 8.149 -3.912 6.481 1.00 1.00 H new ATOM 0 HE2 TYR A 93 9.104 -0.147 4.765 1.00 1.00 H new ATOM 0 HH TYR A 93 7.456 -1.371 4.129 1.00 1.00 H new ATOM 468 N ASN A 94 14.757 -2.043 9.568 1.00 1.00 N ATOM 469 CA ASN A 94 15.540 -2.410 10.736 1.00 1.00 C ATOM 470 C ASN A 94 14.628 -2.450 11.964 1.00 1.00 C ATOM 471 O ASN A 94 13.446 -2.122 11.875 1.00 1.00 O ATOM 472 CB ASN A 94 16.646 -1.386 11.002 1.00 1.00 C ATOM 473 CG ASN A 94 16.243 -0.422 12.119 1.00 1.00 C ATOM 474 OD1 ASN A 94 16.422 -0.687 13.297 1.00 1.00 O ATOM 475 ND2 ASN A 94 15.692 0.708 11.686 1.00 1.00 N ATOM 0 H ASN A 94 14.924 -1.098 9.222 1.00 1.00 H new ATOM 0 HA ASN A 94 15.989 -3.385 10.548 1.00 1.00 H new ATOM 0 HB2 ASN A 94 17.566 -1.902 11.276 1.00 1.00 H new ATOM 0 HB3 ASN A 94 16.855 -0.826 10.091 1.00 1.00 H new ATOM 0 HD21 ASN A 94 15.390 1.417 12.354 1.00 1.00 H new ATOM 0 HD22 ASN A 94 15.572 0.866 10.686 1.00 1.00 H new ATOM 482 N HIS A 95 15.212 -2.856 13.082 1.00 1.00 N ATOM 483 CA HIS A 95 14.468 -2.944 14.326 1.00 1.00 C ATOM 484 C HIS A 95 14.204 -1.537 14.867 1.00 1.00 C ATOM 485 O HIS A 95 14.601 -1.214 15.986 1.00 1.00 O ATOM 486 CB HIS A 95 15.194 -3.839 15.332 1.00 1.00 C ATOM 487 CG HIS A 95 14.554 -3.871 16.700 1.00 1.00 C ATOM 488 ND1 HIS A 95 15.135 -3.287 17.812 1.00 1.00 N ATOM 489 CD2 HIS A 95 13.380 -4.421 17.122 1.00 1.00 C ATOM 490 CE1 HIS A 95 14.337 -3.484 18.852 1.00 1.00 C ATOM 491 NE2 HIS A 95 13.250 -4.187 18.422 1.00 1.00 N ATOM 0 H HIS A 95 16.193 -3.128 13.152 1.00 1.00 H new ATOM 0 HA HIS A 95 13.501 -3.413 14.143 1.00 1.00 H new ATOM 0 HB2 HIS A 95 15.234 -4.854 14.937 1.00 1.00 H new ATOM 0 HB3 HIS A 95 16.224 -3.495 15.432 1.00 1.00 H new ATOM 0 HD2 HIS A 95 12.675 -4.956 16.503 1.00 1.00 H new ATOM 0 HE1 HIS A 95 14.516 -3.147 19.862 1.00 1.00 H new ATOM 0 HE2 HIS A 95 12.466 -4.484 19.004 1.00 1.00 H new ATOM 499 N ASN A 96 13.537 -0.738 14.048 1.00 1.00 N ATOM 500 CA ASN A 96 13.216 0.627 14.429 1.00 1.00 C ATOM 501 C ASN A 96 12.965 1.458 13.170 1.00 1.00 C ATOM 502 O ASN A 96 13.098 0.958 12.054 1.00 1.00 O ATOM 503 CB ASN A 96 14.373 1.270 15.198 1.00 1.00 C ATOM 504 CG ASN A 96 14.028 1.423 16.681 1.00 1.00 C ATOM 505 OD1 ASN A 96 13.616 0.488 17.348 1.00 1.00 O ATOM 506 ND2 ASN A 96 14.220 2.650 17.157 1.00 1.00 N ATOM 0 H ASN A 96 13.210 -1.010 13.121 1.00 1.00 H new ATOM 0 HA ASN A 96 12.331 0.601 15.064 1.00 1.00 H new ATOM 0 HB2 ASN A 96 15.270 0.659 15.091 1.00 1.00 H new ATOM 0 HB3 ASN A 96 14.600 2.247 14.771 1.00 1.00 H new ATOM 0 HD21 ASN A 96 14.020 2.854 18.136 1.00 1.00 H new ATOM 0 HD22 ASN A 96 14.567 3.387 16.543 1.00 1.00 H new ATOM 513 N GLY A 97 12.605 2.714 13.391 1.00 1.00 N ATOM 514 CA GLY A 97 12.333 3.620 12.288 1.00 1.00 C ATOM 515 C GLY A 97 13.534 4.529 12.017 1.00 1.00 C ATOM 516 O GLY A 97 13.442 5.746 12.167 1.00 1.00 O ATOM 0 H GLY A 97 12.495 3.126 14.318 1.00 1.00 H new ATOM 0 HA2 GLY A 97 12.096 3.047 11.392 1.00 1.00 H new ATOM 0 HA3 GLY A 97 11.457 4.227 12.519 1.00 1.00 H new ATOM 520 N GLU A 98 14.632 3.903 11.621 1.00 1.00 N ATOM 521 CA GLU A 98 15.849 4.640 11.328 1.00 1.00 C ATOM 522 C GLU A 98 16.278 4.401 9.878 1.00 1.00 C ATOM 523 O GLU A 98 16.310 5.332 9.075 1.00 1.00 O ATOM 524 CB GLU A 98 16.968 4.260 12.300 1.00 1.00 C ATOM 525 CG GLU A 98 17.059 5.265 13.450 1.00 1.00 C ATOM 526 CD GLU A 98 17.935 4.725 14.582 1.00 1.00 C ATOM 527 OE1 GLU A 98 17.779 3.525 14.897 1.00 1.00 O ATOM 528 OE2 GLU A 98 18.740 5.523 15.107 1.00 1.00 O ATOM 0 H GLU A 98 14.704 2.893 11.496 1.00 1.00 H new ATOM 0 HA GLU A 98 15.646 5.703 11.457 1.00 1.00 H new ATOM 0 HB2 GLU A 98 16.786 3.262 12.698 1.00 1.00 H new ATOM 0 HB3 GLU A 98 17.919 4.222 11.769 1.00 1.00 H new ATOM 0 HG2 GLU A 98 17.471 6.206 13.084 1.00 1.00 H new ATOM 0 HG3 GLU A 98 16.060 5.480 13.829 1.00 1.00 H new ATOM 535 N TRP A 99 16.597 3.148 9.588 1.00 1.00 N ATOM 536 CA TRP A 99 17.022 2.775 8.249 1.00 1.00 C ATOM 537 C TRP A 99 16.295 1.485 7.865 1.00 1.00 C ATOM 538 O TRP A 99 15.812 0.758 8.732 1.00 1.00 O ATOM 539 CB TRP A 99 18.545 2.649 8.173 1.00 1.00 C ATOM 540 CG TRP A 99 19.275 3.989 8.064 1.00 1.00 C ATOM 541 CD1 TRP A 99 19.229 5.026 8.911 1.00 1.00 C ATOM 542 CD2 TRP A 99 20.170 4.397 7.007 1.00 1.00 C ATOM 543 NE1 TRP A 99 20.024 6.068 8.480 1.00 1.00 N ATOM 544 CE2 TRP A 99 20.615 5.673 7.285 1.00 1.00 C ATOM 545 CE3 TRP A 99 20.590 3.710 5.854 1.00 1.00 C ATOM 546 CZ2 TRP A 99 21.502 6.373 6.459 1.00 1.00 C ATOM 547 CZ3 TRP A 99 21.476 4.423 5.039 1.00 1.00 C ATOM 548 CH2 TRP A 99 21.933 5.708 5.305 1.00 1.00 C ATOM 0 H TRP A 99 16.570 2.378 10.257 1.00 1.00 H new ATOM 0 HA TRP A 99 16.758 3.550 7.530 1.00 1.00 H new ATOM 0 HB2 TRP A 99 18.901 2.124 9.060 1.00 1.00 H new ATOM 0 HB3 TRP A 99 18.806 2.034 7.312 1.00 1.00 H new ATOM 0 HD1 TRP A 99 18.643 5.044 9.818 1.00 1.00 H new ATOM 0 HE1 TRP A 99 20.154 6.963 8.951 1.00 1.00 H new ATOM 0 HE3 TRP A 99 20.255 2.711 5.616 1.00 1.00 H new ATOM 0 HZ2 TRP A 99 21.836 7.372 6.699 1.00 1.00 H new ATOM 0 HZ3 TRP A 99 21.830 3.941 4.140 1.00 1.00 H new ATOM 0 HH2 TRP A 99 22.618 6.192 4.624 1.00 1.00 H new ATOM 559 N CYS A 100 16.241 1.239 6.564 1.00 1.00 N ATOM 560 CA CYS A 100 15.581 0.049 6.054 1.00 1.00 C ATOM 561 C CYS A 100 16.467 -0.563 4.967 1.00 1.00 C ATOM 562 O CYS A 100 17.086 0.159 4.187 1.00 1.00 O ATOM 563 CB CYS A 100 14.175 0.359 5.537 1.00 1.00 C ATOM 564 SG CYS A 100 13.279 1.399 6.747 1.00 1.00 S ATOM 0 H CYS A 100 16.644 1.844 5.848 1.00 1.00 H new ATOM 0 HA CYS A 100 15.449 -0.671 6.862 1.00 1.00 H new ATOM 0 HB2 CYS A 100 14.236 0.873 4.578 1.00 1.00 H new ATOM 0 HB3 CYS A 100 13.628 -0.569 5.367 1.00 1.00 H new ATOM 0 HG CYS A 100 12.102 1.693 6.279 1.00 1.00 H new ATOM 570 N GLU A 101 16.500 -1.887 4.950 1.00 1.00 N ATOM 571 CA GLU A 101 17.299 -2.604 3.971 1.00 1.00 C ATOM 572 C GLU A 101 16.576 -2.646 2.624 1.00 1.00 C ATOM 573 O GLU A 101 15.388 -2.960 2.562 1.00 1.00 O ATOM 574 CB GLU A 101 17.630 -4.015 4.461 1.00 1.00 C ATOM 575 CG GLU A 101 18.929 -4.523 3.832 1.00 1.00 C ATOM 576 CD GLU A 101 19.317 -5.889 4.403 1.00 1.00 C ATOM 577 OE1 GLU A 101 18.660 -6.876 4.008 1.00 1.00 O ATOM 578 OE2 GLU A 101 20.261 -5.915 5.221 1.00 1.00 O ATOM 0 H GLU A 101 15.986 -2.483 5.599 1.00 1.00 H new ATOM 0 HA GLU A 101 18.241 -2.071 3.839 1.00 1.00 H new ATOM 0 HB2 GLU A 101 17.724 -4.014 5.547 1.00 1.00 H new ATOM 0 HB3 GLU A 101 16.812 -4.691 4.212 1.00 1.00 H new ATOM 0 HG2 GLU A 101 18.809 -4.597 2.751 1.00 1.00 H new ATOM 0 HG3 GLU A 101 19.730 -3.807 4.015 1.00 1.00 H new ATOM 585 N ALA A 102 17.322 -2.326 1.577 1.00 1.00 N ATOM 586 CA ALA A 102 16.767 -2.324 0.234 1.00 1.00 C ATOM 587 C ALA A 102 17.712 -3.076 -0.705 1.00 1.00 C ATOM 588 O ALA A 102 18.872 -3.308 -0.369 1.00 1.00 O ATOM 589 CB ALA A 102 16.524 -0.882 -0.215 1.00 1.00 C ATOM 0 H ALA A 102 18.307 -2.066 1.632 1.00 1.00 H new ATOM 0 HA ALA A 102 15.806 -2.838 0.215 1.00 1.00 H new ATOM 0 HB1 ALA A 102 16.108 -0.880 -1.222 1.00 1.00 H new ATOM 0 HB2 ALA A 102 15.824 -0.401 0.468 1.00 1.00 H new ATOM 0 HB3 ALA A 102 17.467 -0.336 -0.211 1.00 1.00 H new ATOM 595 N GLN A 103 17.180 -3.435 -1.864 1.00 1.00 N ATOM 596 CA GLN A 103 17.962 -4.157 -2.854 1.00 1.00 C ATOM 597 C GLN A 103 17.914 -3.430 -4.200 1.00 1.00 C ATOM 598 O GLN A 103 17.036 -2.600 -4.430 1.00 1.00 O ATOM 599 CB GLN A 103 17.474 -5.600 -2.992 1.00 1.00 C ATOM 600 CG GLN A 103 17.736 -6.393 -1.710 1.00 1.00 C ATOM 601 CD GLN A 103 16.682 -7.485 -1.515 1.00 1.00 C ATOM 602 OE1 GLN A 103 16.090 -7.986 -2.456 1.00 1.00 O ATOM 603 NE2 GLN A 103 16.483 -7.823 -0.245 1.00 1.00 N ATOM 0 H GLN A 103 16.218 -3.240 -2.140 1.00 1.00 H new ATOM 0 HA GLN A 103 18.998 -4.190 -2.517 1.00 1.00 H new ATOM 0 HB2 GLN A 103 16.407 -5.607 -3.216 1.00 1.00 H new ATOM 0 HB3 GLN A 103 17.979 -6.080 -3.830 1.00 1.00 H new ATOM 0 HG2 GLN A 103 18.728 -6.843 -1.753 1.00 1.00 H new ATOM 0 HG3 GLN A 103 17.729 -5.719 -0.853 1.00 1.00 H new ATOM 0 HE21 GLN A 103 17.014 -7.363 0.494 1.00 1.00 H new ATOM 0 HE22 GLN A 103 15.800 -8.543 -0.010 1.00 1.00 H new ATOM 612 N THR A 104 18.868 -3.770 -5.054 1.00 1.00 N ATOM 613 CA THR A 104 18.945 -3.161 -6.371 1.00 1.00 C ATOM 614 C THR A 104 19.192 -4.228 -7.439 1.00 1.00 C ATOM 615 O THR A 104 19.536 -5.365 -7.118 1.00 1.00 O ATOM 616 CB THR A 104 20.028 -2.081 -6.329 1.00 1.00 C ATOM 617 OG1 THR A 104 21.246 -2.804 -6.488 1.00 1.00 O ATOM 618 CG2 THR A 104 20.157 -1.434 -4.949 1.00 1.00 C ATOM 0 H THR A 104 19.594 -4.459 -4.860 1.00 1.00 H new ATOM 0 HA THR A 104 18.002 -2.687 -6.643 1.00 1.00 H new ATOM 0 HB THR A 104 19.804 -1.314 -7.070 1.00 1.00 H new ATOM 0 HG1 THR A 104 21.173 -3.671 -6.037 1.00 1.00 H new ATOM 0 HG21 THR A 104 20.939 -0.675 -4.975 1.00 1.00 H new ATOM 0 HG22 THR A 104 19.210 -0.970 -4.675 1.00 1.00 H new ATOM 0 HG23 THR A 104 20.414 -2.195 -4.213 1.00 1.00 H new ATOM 626 N LYS A 105 19.008 -3.824 -8.687 1.00 1.00 N ATOM 627 CA LYS A 105 19.207 -4.732 -9.804 1.00 1.00 C ATOM 628 C LYS A 105 20.370 -5.674 -9.490 1.00 1.00 C ATOM 629 O LYS A 105 20.194 -6.891 -9.443 1.00 1.00 O ATOM 630 CB LYS A 105 19.385 -3.948 -11.106 1.00 1.00 C ATOM 631 CG LYS A 105 19.519 -4.894 -12.301 1.00 1.00 C ATOM 632 CD LYS A 105 18.146 -5.357 -12.792 1.00 1.00 C ATOM 633 CE LYS A 105 18.130 -6.868 -13.033 1.00 1.00 C ATOM 634 NZ LYS A 105 16.870 -7.274 -13.694 1.00 1.00 N ATOM 0 H LYS A 105 18.723 -2.880 -8.950 1.00 1.00 H new ATOM 0 HA LYS A 105 18.324 -5.354 -9.951 1.00 1.00 H new ATOM 0 HB2 LYS A 105 18.532 -3.286 -11.256 1.00 1.00 H new ATOM 0 HB3 LYS A 105 20.271 -3.316 -11.036 1.00 1.00 H new ATOM 0 HG2 LYS A 105 20.047 -4.390 -13.110 1.00 1.00 H new ATOM 0 HG3 LYS A 105 20.119 -5.759 -12.019 1.00 1.00 H new ATOM 0 HD2 LYS A 105 17.385 -5.094 -12.057 1.00 1.00 H new ATOM 0 HD3 LYS A 105 17.891 -4.835 -13.714 1.00 1.00 H new ATOM 0 HE2 LYS A 105 18.981 -7.152 -13.652 1.00 1.00 H new ATOM 0 HE3 LYS A 105 18.236 -7.395 -12.085 1.00 1.00 H new ATOM 0 HZ1 LYS A 105 16.876 -8.302 -13.850 1.00 1.00 H new ATOM 0 HZ2 LYS A 105 16.063 -7.020 -13.089 1.00 1.00 H new ATOM 0 HZ3 LYS A 105 16.784 -6.785 -14.608 1.00 1.00 H new ATOM 648 N ASN A 106 21.534 -5.076 -9.281 1.00 1.00 N ATOM 649 CA ASN A 106 22.727 -5.847 -8.972 1.00 1.00 C ATOM 650 C ASN A 106 23.495 -5.158 -7.843 1.00 1.00 C ATOM 651 O ASN A 106 24.670 -4.827 -7.999 1.00 1.00 O ATOM 652 CB ASN A 106 23.653 -5.940 -10.187 1.00 1.00 C ATOM 653 CG ASN A 106 23.317 -7.165 -11.040 1.00 1.00 C ATOM 654 OD1 ASN A 106 23.683 -8.287 -10.733 1.00 1.00 O ATOM 655 ND2 ASN A 106 22.601 -6.887 -12.126 1.00 1.00 N ATOM 0 H ASN A 106 21.677 -4.067 -9.320 1.00 1.00 H new ATOM 0 HA ASN A 106 22.415 -6.850 -8.680 1.00 1.00 H new ATOM 0 HB2 ASN A 106 23.560 -5.036 -10.789 1.00 1.00 H new ATOM 0 HB3 ASN A 106 24.690 -5.997 -9.855 1.00 1.00 H new ATOM 0 HD21 ASN A 106 22.325 -7.636 -12.761 1.00 1.00 H new ATOM 0 HD22 ASN A 106 22.328 -5.924 -12.324 1.00 1.00 H new ATOM 662 N GLY A 107 22.802 -4.963 -6.731 1.00 1.00 N ATOM 663 CA GLY A 107 23.404 -4.320 -5.576 1.00 1.00 C ATOM 664 C GLY A 107 22.434 -4.294 -4.394 1.00 1.00 C ATOM 665 O GLY A 107 21.221 -4.221 -4.583 1.00 1.00 O ATOM 0 H GLY A 107 21.828 -5.239 -6.605 1.00 1.00 H new ATOM 0 HA2 GLY A 107 24.313 -4.851 -5.293 1.00 1.00 H new ATOM 0 HA3 GLY A 107 23.696 -3.302 -5.833 1.00 1.00 H new ATOM 669 N GLN A 108 23.004 -4.357 -3.200 1.00 1.00 N ATOM 670 CA GLN A 108 22.205 -4.342 -1.987 1.00 1.00 C ATOM 671 C GLN A 108 22.996 -3.714 -0.837 1.00 1.00 C ATOM 672 O GLN A 108 24.223 -3.785 -0.812 1.00 1.00 O ATOM 673 CB GLN A 108 21.734 -5.752 -1.623 1.00 1.00 C ATOM 674 CG GLN A 108 20.633 -5.705 -0.561 1.00 1.00 C ATOM 675 CD GLN A 108 20.345 -7.103 -0.009 1.00 1.00 C ATOM 676 OE1 GLN A 108 20.947 -8.089 -0.400 1.00 1.00 O ATOM 677 NE2 GLN A 108 19.395 -7.131 0.921 1.00 1.00 N ATOM 0 H GLN A 108 24.011 -4.419 -3.047 1.00 1.00 H new ATOM 0 HA GLN A 108 21.319 -3.733 -2.167 1.00 1.00 H new ATOM 0 HB2 GLN A 108 21.363 -6.257 -2.515 1.00 1.00 H new ATOM 0 HB3 GLN A 108 22.576 -6.337 -1.253 1.00 1.00 H new ATOM 0 HG2 GLN A 108 20.934 -5.044 0.252 1.00 1.00 H new ATOM 0 HG3 GLN A 108 19.724 -5.286 -0.992 1.00 1.00 H new ATOM 0 HE21 GLN A 108 18.931 -6.267 1.202 1.00 1.00 H new ATOM 0 HE22 GLN A 108 19.130 -8.016 1.353 1.00 1.00 H new ATOM 686 N GLY A 109 22.260 -3.114 0.087 1.00 1.00 N ATOM 687 CA GLY A 109 22.877 -2.475 1.237 1.00 1.00 C ATOM 688 C GLY A 109 21.842 -1.700 2.055 1.00 1.00 C ATOM 689 O GLY A 109 20.643 -1.953 1.944 1.00 1.00 O ATOM 0 H GLY A 109 21.242 -3.057 0.063 1.00 1.00 H new ATOM 0 HA2 GLY A 109 23.352 -3.229 1.865 1.00 1.00 H new ATOM 0 HA3 GLY A 109 23.663 -1.798 0.903 1.00 1.00 H new ATOM 693 N TRP A 110 22.343 -0.772 2.857 1.00 1.00 N ATOM 694 CA TRP A 110 21.476 0.041 3.693 1.00 1.00 C ATOM 695 C TRP A 110 20.967 1.211 2.849 1.00 1.00 C ATOM 696 O TRP A 110 21.682 1.714 1.984 1.00 1.00 O ATOM 697 CB TRP A 110 22.203 0.491 4.962 1.00 1.00 C ATOM 698 CG TRP A 110 22.053 -0.474 6.140 1.00 1.00 C ATOM 699 CD1 TRP A 110 23.006 -1.207 6.733 1.00 1.00 C ATOM 700 CD2 TRP A 110 20.835 -0.780 6.850 1.00 1.00 C ATOM 701 NE1 TRP A 110 22.492 -1.962 7.768 1.00 1.00 N ATOM 702 CE2 TRP A 110 21.130 -1.694 7.842 1.00 1.00 C ATOM 703 CE3 TRP A 110 19.526 -0.302 6.661 1.00 1.00 C ATOM 704 CZ2 TRP A 110 20.170 -2.208 8.722 1.00 1.00 C ATOM 705 CZ3 TRP A 110 18.578 -0.825 7.548 1.00 1.00 C ATOM 706 CH2 TRP A 110 18.860 -1.745 8.552 1.00 1.00 C ATOM 0 H TRP A 110 23.338 -0.565 2.946 1.00 1.00 H new ATOM 0 HA TRP A 110 20.619 -0.538 4.038 1.00 1.00 H new ATOM 0 HB2 TRP A 110 23.263 0.612 4.738 1.00 1.00 H new ATOM 0 HB3 TRP A 110 21.825 1.470 5.257 1.00 1.00 H new ATOM 0 HD1 TRP A 110 24.045 -1.207 6.438 1.00 1.00 H new ATOM 0 HE1 TRP A 110 23.015 -2.599 8.368 1.00 1.00 H new ATOM 0 HE3 TRP A 110 19.272 0.412 5.892 1.00 1.00 H new ATOM 0 HZ2 TRP A 110 20.426 -2.923 9.490 1.00 1.00 H new ATOM 0 HZ3 TRP A 110 17.556 -0.491 7.446 1.00 1.00 H new ATOM 0 HH2 TRP A 110 18.071 -2.101 9.198 1.00 1.00 H new ATOM 717 N VAL A 111 19.736 1.611 3.131 1.00 1.00 N ATOM 718 CA VAL A 111 19.122 2.712 2.409 1.00 1.00 C ATOM 719 C VAL A 111 18.166 3.458 3.341 1.00 1.00 C ATOM 720 O VAL A 111 17.266 2.856 3.925 1.00 1.00 O ATOM 721 CB VAL A 111 18.439 2.192 1.143 1.00 1.00 C ATOM 722 CG1 VAL A 111 17.015 1.718 1.444 1.00 1.00 C ATOM 723 CG2 VAL A 111 18.442 3.254 0.042 1.00 1.00 C ATOM 0 H VAL A 111 19.147 1.192 3.850 1.00 1.00 H new ATOM 0 HA VAL A 111 19.880 3.425 2.083 1.00 1.00 H new ATOM 0 HB VAL A 111 19.009 1.335 0.783 1.00 1.00 H new ATOM 0 HG11 VAL A 111 16.552 1.353 0.527 1.00 1.00 H new ATOM 0 HG12 VAL A 111 17.047 0.914 2.179 1.00 1.00 H new ATOM 0 HG13 VAL A 111 16.431 2.549 1.840 1.00 1.00 H new ATOM 0 HG21 VAL A 111 17.950 2.858 -0.847 1.00 1.00 H new ATOM 0 HG22 VAL A 111 17.908 4.139 0.388 1.00 1.00 H new ATOM 0 HG23 VAL A 111 19.470 3.523 -0.201 1.00 1.00 H new ATOM 733 N PRO A 112 18.399 4.793 3.455 1.00 1.00 N ATOM 734 CA PRO A 112 17.569 5.628 4.307 1.00 1.00 C ATOM 735 C PRO A 112 16.207 5.886 3.661 1.00 1.00 C ATOM 736 O PRO A 112 16.109 6.018 2.442 1.00 1.00 O ATOM 737 CB PRO A 112 18.376 6.898 4.520 1.00 1.00 C ATOM 738 CG PRO A 112 19.415 6.923 3.411 1.00 1.00 C ATOM 739 CD PRO A 112 19.456 5.541 2.780 1.00 1.00 C ATOM 0 HA PRO A 112 17.336 5.156 5.261 1.00 1.00 H new ATOM 0 HB2 PRO A 112 17.736 7.779 4.476 1.00 1.00 H new ATOM 0 HB3 PRO A 112 18.852 6.899 5.501 1.00 1.00 H new ATOM 0 HG2 PRO A 112 19.159 7.676 2.665 1.00 1.00 H new ATOM 0 HG3 PRO A 112 20.394 7.189 3.810 1.00 1.00 H new ATOM 0 HD2 PRO A 112 19.281 5.591 1.705 1.00 1.00 H new ATOM 0 HD3 PRO A 112 20.428 5.069 2.923 1.00 1.00 H new ATOM 747 N SER A 113 15.189 5.951 4.507 1.00 1.00 N ATOM 748 CA SER A 113 13.836 6.192 4.033 1.00 1.00 C ATOM 749 C SER A 113 13.672 7.662 3.645 1.00 1.00 C ATOM 750 O SER A 113 12.703 8.028 2.981 1.00 1.00 O ATOM 751 CB SER A 113 12.804 5.804 5.094 1.00 1.00 C ATOM 752 OG SER A 113 13.366 5.786 6.404 1.00 1.00 O ATOM 0 H SER A 113 15.274 5.841 5.518 1.00 1.00 H new ATOM 0 HA SER A 113 13.665 5.570 3.154 1.00 1.00 H new ATOM 0 HB2 SER A 113 11.973 6.508 5.066 1.00 1.00 H new ATOM 0 HB3 SER A 113 12.396 4.820 4.861 1.00 1.00 H new ATOM 0 HG SER A 113 13.825 6.635 6.575 1.00 1.00 H new ATOM 758 N ASN A 114 14.633 8.466 4.075 1.00 1.00 N ATOM 759 CA ASN A 114 14.606 9.889 3.781 1.00 1.00 C ATOM 760 C ASN A 114 14.971 10.108 2.311 1.00 1.00 C ATOM 761 O ASN A 114 14.750 11.189 1.768 1.00 1.00 O ATOM 762 CB ASN A 114 15.620 10.648 4.638 1.00 1.00 C ATOM 763 CG ASN A 114 16.184 11.854 3.883 1.00 1.00 C ATOM 764 OD1 ASN A 114 17.174 11.768 3.175 1.00 1.00 O ATOM 765 ND2 ASN A 114 15.500 12.978 4.073 1.00 1.00 N ATOM 0 H ASN A 114 15.435 8.159 4.625 1.00 1.00 H new ATOM 0 HA ASN A 114 13.604 10.259 3.997 1.00 1.00 H new ATOM 0 HB2 ASN A 114 15.144 10.982 5.560 1.00 1.00 H new ATOM 0 HB3 ASN A 114 16.433 9.980 4.923 1.00 1.00 H new ATOM 0 HD21 ASN A 114 15.795 13.839 3.613 1.00 1.00 H new ATOM 0 HD22 ASN A 114 14.680 12.980 4.679 1.00 1.00 H new ATOM 772 N TYR A 115 15.524 9.065 1.710 1.00 1.00 N ATOM 773 CA TYR A 115 15.922 9.130 0.314 1.00 1.00 C ATOM 774 C TYR A 115 14.928 8.379 -0.575 1.00 1.00 C ATOM 775 O TYR A 115 14.982 8.485 -1.799 1.00 1.00 O ATOM 776 CB TYR A 115 17.285 8.439 0.231 1.00 1.00 C ATOM 777 CG TYR A 115 18.470 9.367 0.508 1.00 1.00 C ATOM 778 CD1 TYR A 115 18.710 9.816 1.790 1.00 1.00 C ATOM 779 CD2 TYR A 115 19.299 9.754 -0.526 1.00 1.00 C ATOM 780 CE1 TYR A 115 19.826 10.689 2.050 1.00 1.00 C ATOM 781 CE2 TYR A 115 20.414 10.627 -0.266 1.00 1.00 C ATOM 782 CZ TYR A 115 20.622 11.051 1.009 1.00 1.00 C ATOM 783 OH TYR A 115 21.676 11.875 1.255 1.00 1.00 O ATOM 0 H TYR A 115 15.706 8.170 2.164 1.00 1.00 H new ATOM 0 HA TYR A 115 15.956 10.165 -0.027 1.00 1.00 H new ATOM 0 HB2 TYR A 115 17.307 7.615 0.944 1.00 1.00 H new ATOM 0 HB3 TYR A 115 17.401 8.005 -0.762 1.00 1.00 H new ATOM 0 HD1 TYR A 115 18.061 9.513 2.599 1.00 1.00 H new ATOM 0 HD2 TYR A 115 19.111 9.402 -1.530 1.00 1.00 H new ATOM 0 HE1 TYR A 115 20.026 11.048 3.049 1.00 1.00 H new ATOM 0 HE2 TYR A 115 21.070 10.938 -1.065 1.00 1.00 H new ATOM 0 HH TYR A 115 22.157 12.049 0.419 1.00 1.00 H new ATOM 793 N ILE A 116 14.044 7.637 0.076 1.00 1.00 N ATOM 794 CA ILE A 116 13.040 6.869 -0.640 1.00 1.00 C ATOM 795 C ILE A 116 11.649 7.263 -0.139 1.00 1.00 C ATOM 796 O ILE A 116 11.465 7.524 1.049 1.00 1.00 O ATOM 797 CB ILE A 116 13.332 5.371 -0.529 1.00 1.00 C ATOM 798 CG1 ILE A 116 14.816 5.083 -0.763 1.00 1.00 C ATOM 799 CG2 ILE A 116 12.436 4.567 -1.473 1.00 1.00 C ATOM 800 CD1 ILE A 116 15.184 3.677 -0.285 1.00 1.00 C ATOM 0 H ILE A 116 14.002 7.552 1.092 1.00 1.00 H new ATOM 0 HA ILE A 116 13.072 7.099 -1.705 1.00 1.00 H new ATOM 0 HB ILE A 116 13.099 5.051 0.487 1.00 1.00 H new ATOM 0 HG12 ILE A 116 15.046 5.182 -1.824 1.00 1.00 H new ATOM 0 HG13 ILE A 116 15.421 5.820 -0.235 1.00 1.00 H new ATOM 0 HG21 ILE A 116 12.664 3.506 -1.375 1.00 1.00 H new ATOM 0 HG22 ILE A 116 11.391 4.739 -1.217 1.00 1.00 H new ATOM 0 HG23 ILE A 116 12.615 4.883 -2.501 1.00 1.00 H new ATOM 0 HD11 ILE A 116 16.244 3.498 -0.463 1.00 1.00 H new ATOM 0 HD12 ILE A 116 14.975 3.589 0.781 1.00 1.00 H new ATOM 0 HD13 ILE A 116 14.595 2.941 -0.832 1.00 1.00 H new ATOM 812 N THR A 117 10.707 7.294 -1.069 1.00 1.00 N ATOM 813 CA THR A 117 9.338 7.652 -0.737 1.00 1.00 C ATOM 814 C THR A 117 8.361 6.641 -1.340 1.00 1.00 C ATOM 815 O THR A 117 8.697 5.940 -2.293 1.00 1.00 O ATOM 816 CB THR A 117 9.097 9.087 -1.209 1.00 1.00 C ATOM 817 OG1 THR A 117 7.746 9.081 -1.660 1.00 1.00 O ATOM 818 CG2 THR A 117 9.906 9.436 -2.460 1.00 1.00 C ATOM 0 H THR A 117 10.864 7.077 -2.053 1.00 1.00 H new ATOM 0 HA THR A 117 9.170 7.616 0.339 1.00 1.00 H new ATOM 0 HB THR A 117 9.352 9.780 -0.407 1.00 1.00 H new ATOM 0 HG1 THR A 117 7.505 9.974 -1.983 1.00 1.00 H new ATOM 0 HG21 THR A 117 9.698 10.465 -2.752 1.00 1.00 H new ATOM 0 HG22 THR A 117 10.970 9.327 -2.248 1.00 1.00 H new ATOM 0 HG23 THR A 117 9.628 8.765 -3.272 1.00 1.00 H new ATOM 826 N PRO A 118 7.139 6.598 -0.745 1.00 1.00 N ATOM 827 CA PRO A 118 6.110 5.685 -1.214 1.00 1.00 C ATOM 828 C PRO A 118 5.493 6.179 -2.524 1.00 1.00 C ATOM 829 O PRO A 118 5.718 7.319 -2.928 1.00 1.00 O ATOM 830 CB PRO A 118 5.106 5.606 -0.076 1.00 1.00 C ATOM 831 CG PRO A 118 5.364 6.827 0.793 1.00 1.00 C ATOM 832 CD PRO A 118 6.706 7.413 0.385 1.00 1.00 C ATOM 0 HA PRO A 118 6.502 4.696 -1.451 1.00 1.00 H new ATOM 0 HB2 PRO A 118 4.084 5.606 -0.456 1.00 1.00 H new ATOM 0 HB3 PRO A 118 5.234 4.686 0.495 1.00 1.00 H new ATOM 0 HG2 PRO A 118 4.571 7.563 0.663 1.00 1.00 H new ATOM 0 HG3 PRO A 118 5.373 6.551 1.847 1.00 1.00 H new ATOM 0 HD2 PRO A 118 6.611 8.462 0.103 1.00 1.00 H new ATOM 0 HD3 PRO A 118 7.424 7.367 1.204 1.00 1.00 H new ATOM 840 N VAL A 119 4.727 5.298 -3.150 1.00 1.00 N ATOM 841 CA VAL A 119 4.076 5.631 -4.405 1.00 1.00 C ATOM 842 C VAL A 119 2.865 6.523 -4.126 1.00 1.00 C ATOM 843 O VAL A 119 3.018 7.680 -3.737 1.00 1.00 O ATOM 844 CB VAL A 119 3.715 4.352 -5.163 1.00 1.00 C ATOM 845 CG1 VAL A 119 2.967 4.674 -6.458 1.00 1.00 C ATOM 846 CG2 VAL A 119 4.961 3.510 -5.444 1.00 1.00 C ATOM 0 H VAL A 119 4.543 4.354 -2.811 1.00 1.00 H new ATOM 0 HA VAL A 119 4.752 6.194 -5.048 1.00 1.00 H new ATOM 0 HB VAL A 119 3.050 3.765 -4.530 1.00 1.00 H new ATOM 0 HG11 VAL A 119 2.723 3.747 -6.977 1.00 1.00 H new ATOM 0 HG12 VAL A 119 2.048 5.212 -6.223 1.00 1.00 H new ATOM 0 HG13 VAL A 119 3.596 5.293 -7.098 1.00 1.00 H new ATOM 0 HG21 VAL A 119 4.676 2.607 -5.984 1.00 1.00 H new ATOM 0 HG22 VAL A 119 5.662 4.087 -6.047 1.00 1.00 H new ATOM 0 HG23 VAL A 119 5.435 3.235 -4.501 1.00 1.00 H new ATOM 856 N SER A 120 1.688 5.951 -4.334 1.00 1.00 N ATOM 857 CA SER A 120 0.451 6.679 -4.110 1.00 1.00 C ATOM 858 C SER A 120 -0.278 6.109 -2.892 1.00 1.00 C ATOM 859 O SER A 120 -0.788 4.974 -3.017 1.00 1.00 O ATOM 860 CB SER A 120 -0.452 6.625 -5.344 1.00 1.00 C ATOM 861 OG SER A 120 0.023 7.468 -6.390 1.00 1.00 O ATOM 862 OXT SER A 120 -0.349 6.754 -1.847 1.00 1.00 O ATOM 0 H SER A 120 1.565 4.991 -4.656 1.00 1.00 H new ATOM 0 HA SER A 120 0.698 7.724 -3.921 1.00 1.00 H new ATOM 0 HB2 SER A 120 -0.512 5.598 -5.705 1.00 1.00 H new ATOM 0 HB3 SER A 120 -1.463 6.925 -5.067 1.00 1.00 H new ATOM 0 HG SER A 120 -0.579 7.404 -7.160 1.00 1.00 H new