USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, 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 105 LYS NZ :NH3+ -140:sc= 0 (180deg=0) USER MOD Set 1.2: A 106 ASN : amide:sc= -2.36! C(o=-2.4!,f=-3.1!) USER MOD Set 2.1: A 103 GLN : amide:sc= -0.732 K(o=-1.6,f=-0.81) USER MOD Set 2.2: A 108 GLN : amide:sc= -0.867 K(o=-1.6,f=-2.7!) USER MOD Set 3.1: A 100 CYS SG : rot 180:sc= -0.964 USER MOD Set 3.2: A 113 SER OG : rot -115:sc= 0.129 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -0.56 K(o=-0.56,f=-4.6!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= -0.241 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 -104:sc= -0.161 USER MOD Single : A 94 ASN : amide:sc= -6.95! C(o=-7!,f=-21!) USER MOD Single : A 95 HIS : no HD1:sc= -1.36! C(o=-1.4!,f=-1.1!) USER MOD Single : A 96 ASN : amide:sc= -0.552 X(o=-0.55,f=-0.51) USER MOD Single : A 104 THR OG1 : rot -67:sc= -1.53! USER MOD Single : A 114 ASN : amide:sc= -7.84! C(o=-7.8!,f=-18!) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 THR OG1 : rot 180:sc= -1.74 USER MOD Single : A 120 SER OG : rot 180:sc= 0 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 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 6.350 1.351 -2.362 1.00 1.00 C ATOM 15 O LEU A 65 7.075 1.424 -3.353 1.00 1.00 O ATOM 16 CB LEU A 65 6.404 -1.195 -2.640 1.00 1.00 C ATOM 17 CG LEU A 65 6.486 -2.503 -1.850 1.00 1.00 C ATOM 18 CD1 LEU A 65 7.320 -2.324 -0.580 1.00 1.00 C ATOM 19 CD2 LEU A 65 5.089 -3.048 -1.546 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 -0.122 -0.856 1.00 1.00 H new ATOM 0 HB2 LEU A 65 5.816 -1.374 -3.540 1.00 1.00 H new ATOM 0 HB3 LEU A 65 7.409 -0.926 -2.965 1.00 1.00 H new ATOM 0 HG LEU A 65 6.994 -3.244 -2.467 1.00 1.00 H new ATOM 0 HD11 LEU A 65 7.363 -3.268 -0.037 1.00 1.00 H new ATOM 0 HD12 LEU A 65 8.330 -2.014 -0.849 1.00 1.00 H new ATOM 0 HD13 LEU A 65 6.862 -1.562 0.051 1.00 1.00 H new ATOM 0 HD21 LEU A 65 5.176 -3.978 -0.984 1.00 1.00 H new ATOM 0 HD22 LEU A 65 4.534 -2.318 -0.957 1.00 1.00 H new ATOM 0 HD23 LEU A 65 4.561 -3.237 -2.481 1.00 1.00 H new ATOM 31 N PHE A 66 5.982 2.388 -1.624 1.00 1.00 N ATOM 32 CA PHE A 66 6.428 3.733 -1.946 1.00 1.00 C ATOM 33 C PHE A 66 7.460 4.226 -0.931 1.00 1.00 C ATOM 34 O PHE A 66 7.530 3.717 0.187 1.00 1.00 O ATOM 35 CB PHE A 66 5.196 4.639 -1.886 1.00 1.00 C ATOM 36 CG PHE A 66 3.919 3.989 -2.421 1.00 1.00 C ATOM 37 CD1 PHE A 66 3.995 3.022 -3.374 1.00 1.00 C ATOM 38 CD2 PHE A 66 2.706 4.378 -1.944 1.00 1.00 C ATOM 39 CE1 PHE A 66 2.810 2.419 -3.871 1.00 1.00 C ATOM 40 CE2 PHE A 66 1.520 3.776 -2.440 1.00 1.00 C ATOM 41 CZ PHE A 66 1.597 2.808 -3.393 1.00 1.00 C ATOM 0 H PHE A 66 5.380 2.324 -0.803 1.00 1.00 H new ATOM 0 HA PHE A 66 6.894 3.745 -2.931 1.00 1.00 H new ATOM 0 HB2 PHE A 66 5.031 4.943 -0.852 1.00 1.00 H new ATOM 0 HB3 PHE A 66 5.396 5.546 -2.457 1.00 1.00 H new ATOM 0 HD1 PHE A 66 4.958 2.713 -3.753 1.00 1.00 H new ATOM 0 HD2 PHE A 66 2.645 5.146 -1.187 1.00 1.00 H new ATOM 0 HE1 PHE A 66 2.871 1.652 -4.628 1.00 1.00 H new ATOM 0 HE2 PHE A 66 0.557 4.086 -2.061 1.00 1.00 H new ATOM 0 HZ PHE A 66 0.695 2.348 -3.770 1.00 1.00 H new ATOM 51 N VAL A 67 8.237 5.212 -1.356 1.00 1.00 N ATOM 52 CA VAL A 67 9.262 5.780 -0.498 1.00 1.00 C ATOM 53 C VAL A 67 9.073 7.297 -0.420 1.00 1.00 C ATOM 54 O VAL A 67 8.482 7.899 -1.315 1.00 1.00 O ATOM 55 CB VAL A 67 10.649 5.376 -1.002 1.00 1.00 C ATOM 56 CG1 VAL A 67 11.160 4.136 -0.265 1.00 1.00 C ATOM 57 CG2 VAL A 67 10.639 5.149 -2.515 1.00 1.00 C ATOM 0 H VAL A 67 8.177 5.632 -2.284 1.00 1.00 H new ATOM 0 HA VAL A 67 9.172 5.388 0.515 1.00 1.00 H new ATOM 0 HB VAL A 67 11.334 6.197 -0.792 1.00 1.00 H new ATOM 0 HG11 VAL A 67 12.147 3.870 -0.642 1.00 1.00 H new ATOM 0 HG12 VAL A 67 11.224 4.348 0.802 1.00 1.00 H new ATOM 0 HG13 VAL A 67 10.473 3.306 -0.430 1.00 1.00 H new ATOM 0 HG21 VAL A 67 11.637 4.863 -2.847 1.00 1.00 H new ATOM 0 HG22 VAL A 67 9.934 4.354 -2.759 1.00 1.00 H new ATOM 0 HG23 VAL A 67 10.339 6.068 -3.019 1.00 1.00 H new ATOM 67 N ALA A 68 9.587 7.870 0.658 1.00 1.00 N ATOM 68 CA ALA A 68 9.482 9.305 0.864 1.00 1.00 C ATOM 69 C ALA A 68 10.541 10.016 0.018 1.00 1.00 C ATOM 70 O ALA A 68 11.651 10.263 0.486 1.00 1.00 O ATOM 71 CB ALA A 68 9.621 9.618 2.355 1.00 1.00 C ATOM 0 H ALA A 68 10.077 7.367 1.398 1.00 1.00 H new ATOM 0 HA ALA A 68 8.505 9.668 0.544 1.00 1.00 H new ATOM 0 HB1 ALA A 68 9.542 10.694 2.510 1.00 1.00 H new ATOM 0 HB2 ALA A 68 8.829 9.113 2.908 1.00 1.00 H new ATOM 0 HB3 ALA A 68 10.591 9.270 2.711 1.00 1.00 H new ATOM 77 N LEU A 69 10.159 10.325 -1.212 1.00 1.00 N ATOM 78 CA LEU A 69 11.061 11.002 -2.128 1.00 1.00 C ATOM 79 C LEU A 69 11.275 12.441 -1.655 1.00 1.00 C ATOM 80 O LEU A 69 12.404 12.930 -1.631 1.00 1.00 O ATOM 81 CB LEU A 69 10.545 10.898 -3.564 1.00 1.00 C ATOM 82 CG LEU A 69 11.291 9.921 -4.476 1.00 1.00 C ATOM 83 CD1 LEU A 69 10.636 8.538 -4.450 1.00 1.00 C ATOM 84 CD2 LEU A 69 11.405 10.475 -5.897 1.00 1.00 C ATOM 0 H LEU A 69 9.237 10.119 -1.596 1.00 1.00 H new ATOM 0 HA LEU A 69 12.037 10.517 -2.129 1.00 1.00 H new ATOM 0 HB2 LEU A 69 9.496 10.605 -3.532 1.00 1.00 H new ATOM 0 HB3 LEU A 69 10.585 11.889 -4.016 1.00 1.00 H new ATOM 0 HG LEU A 69 12.305 9.804 -4.094 1.00 1.00 H new ATOM 0 HD11 LEU A 69 11.185 7.863 -5.106 1.00 1.00 H new ATOM 0 HD12 LEU A 69 10.651 8.147 -3.433 1.00 1.00 H new ATOM 0 HD13 LEU A 69 9.604 8.618 -4.793 1.00 1.00 H new ATOM 0 HD21 LEU A 69 11.939 9.761 -6.524 1.00 1.00 H new ATOM 0 HD22 LEU A 69 10.408 10.640 -6.304 1.00 1.00 H new ATOM 0 HD23 LEU A 69 11.950 11.419 -5.877 1.00 1.00 H new ATOM 96 N TYR A 70 10.173 13.080 -1.289 1.00 1.00 N ATOM 97 CA TYR A 70 10.226 14.454 -0.818 1.00 1.00 C ATOM 98 C TYR A 70 10.080 14.517 0.704 1.00 1.00 C ATOM 99 O TYR A 70 9.679 13.540 1.334 1.00 1.00 O ATOM 100 CB TYR A 70 9.035 15.167 -1.463 1.00 1.00 C ATOM 101 CG TYR A 70 9.331 15.743 -2.849 1.00 1.00 C ATOM 102 CD1 TYR A 70 10.345 16.664 -3.011 1.00 1.00 C ATOM 103 CD2 TYR A 70 8.584 15.340 -3.937 1.00 1.00 C ATOM 104 CE1 TYR A 70 10.624 17.206 -4.316 1.00 1.00 C ATOM 105 CE2 TYR A 70 8.862 15.882 -5.242 1.00 1.00 C ATOM 106 CZ TYR A 70 9.868 16.789 -5.367 1.00 1.00 C ATOM 107 OH TYR A 70 10.132 17.301 -6.599 1.00 1.00 O ATOM 0 H TYR A 70 9.238 12.672 -1.309 1.00 1.00 H new ATOM 0 HA TYR A 70 11.179 14.913 -1.079 1.00 1.00 H new ATOM 0 HB2 TYR A 70 8.204 14.466 -1.542 1.00 1.00 H new ATOM 0 HB3 TYR A 70 8.709 15.974 -0.807 1.00 1.00 H new ATOM 0 HD1 TYR A 70 10.930 16.979 -2.159 1.00 1.00 H new ATOM 0 HD2 TYR A 70 7.791 14.618 -3.810 1.00 1.00 H new ATOM 0 HE1 TYR A 70 11.416 17.927 -4.457 1.00 1.00 H new ATOM 0 HE2 TYR A 70 8.285 15.575 -6.102 1.00 1.00 H new ATOM 0 HH TYR A 70 9.515 16.913 -7.254 1.00 1.00 H new ATOM 117 N ASP A 71 10.413 15.677 1.250 1.00 1.00 N ATOM 118 CA ASP A 71 10.324 15.881 2.686 1.00 1.00 C ATOM 119 C ASP A 71 8.900 16.306 3.049 1.00 1.00 C ATOM 120 O ASP A 71 8.174 16.838 2.211 1.00 1.00 O ATOM 121 CB ASP A 71 11.278 16.985 3.146 1.00 1.00 C ATOM 122 CG ASP A 71 12.627 17.016 2.424 1.00 1.00 C ATOM 123 OD1 ASP A 71 12.606 17.214 1.190 1.00 1.00 O ATOM 124 OD2 ASP A 71 13.649 16.840 3.123 1.00 1.00 O ATOM 0 H ASP A 71 10.745 16.485 0.724 1.00 1.00 H new ATOM 0 HA ASP A 71 10.592 14.945 3.176 1.00 1.00 H new ATOM 0 HB2 ASP A 71 10.787 17.949 3.009 1.00 1.00 H new ATOM 0 HB3 ASP A 71 11.457 16.867 4.215 1.00 1.00 H new ATOM 129 N PHE A 72 8.542 16.054 4.300 1.00 1.00 N ATOM 130 CA PHE A 72 7.218 16.404 4.785 1.00 1.00 C ATOM 131 C PHE A 72 7.289 17.002 6.191 1.00 1.00 C ATOM 132 O PHE A 72 7.720 16.337 7.132 1.00 1.00 O ATOM 133 CB PHE A 72 6.404 15.109 4.834 1.00 1.00 C ATOM 134 CG PHE A 72 4.942 15.309 5.238 1.00 1.00 C ATOM 135 CD1 PHE A 72 4.246 16.379 4.767 1.00 1.00 C ATOM 136 CD2 PHE A 72 4.337 14.417 6.067 1.00 1.00 C ATOM 137 CE1 PHE A 72 2.889 16.565 5.142 1.00 1.00 C ATOM 138 CE2 PHE A 72 2.980 14.602 6.441 1.00 1.00 C ATOM 139 CZ PHE A 72 2.284 15.672 5.971 1.00 1.00 C ATOM 0 H PHE A 72 9.146 15.611 4.992 1.00 1.00 H new ATOM 0 HA PHE A 72 6.764 17.146 4.127 1.00 1.00 H new ATOM 0 HB2 PHE A 72 6.438 14.633 3.854 1.00 1.00 H new ATOM 0 HB3 PHE A 72 6.874 14.422 5.538 1.00 1.00 H new ATOM 0 HD1 PHE A 72 4.726 17.087 4.108 1.00 1.00 H new ATOM 0 HD2 PHE A 72 4.889 13.567 6.441 1.00 1.00 H new ATOM 0 HE1 PHE A 72 2.337 17.415 4.769 1.00 1.00 H new ATOM 0 HE2 PHE A 72 2.500 13.893 7.099 1.00 1.00 H new ATOM 0 HZ PHE A 72 1.252 15.813 6.256 1.00 1.00 H new ATOM 149 N VAL A 73 6.859 18.252 6.290 1.00 1.00 N ATOM 150 CA VAL A 73 6.869 18.947 7.566 1.00 1.00 C ATOM 151 C VAL A 73 5.539 19.681 7.751 1.00 1.00 C ATOM 152 O VAL A 73 5.517 20.900 7.916 1.00 1.00 O ATOM 153 CB VAL A 73 8.081 19.877 7.646 1.00 1.00 C ATOM 154 CG1 VAL A 73 8.038 20.931 6.538 1.00 1.00 C ATOM 155 CG2 VAL A 73 8.179 20.533 9.025 1.00 1.00 C ATOM 0 H VAL A 73 6.502 18.801 5.508 1.00 1.00 H new ATOM 0 HA VAL A 73 6.967 18.237 8.387 1.00 1.00 H new ATOM 0 HB VAL A 73 8.977 19.273 7.498 1.00 1.00 H new ATOM 0 HG11 VAL A 73 8.911 21.579 6.618 1.00 1.00 H new ATOM 0 HG12 VAL A 73 8.040 20.438 5.566 1.00 1.00 H new ATOM 0 HG13 VAL A 73 7.132 21.529 6.639 1.00 1.00 H new ATOM 0 HG21 VAL A 73 9.049 21.189 9.055 1.00 1.00 H new ATOM 0 HG22 VAL A 73 7.278 21.116 9.215 1.00 1.00 H new ATOM 0 HG23 VAL A 73 8.280 19.762 9.789 1.00 1.00 H new ATOM 165 N ALA A 74 4.464 18.909 7.718 1.00 1.00 N ATOM 166 CA ALA A 74 3.133 19.471 7.880 1.00 1.00 C ATOM 167 C ALA A 74 2.908 19.819 9.353 1.00 1.00 C ATOM 168 O ALA A 74 3.644 19.358 10.224 1.00 1.00 O ATOM 169 CB ALA A 74 2.093 18.482 7.350 1.00 1.00 C ATOM 0 H ALA A 74 4.486 17.898 7.581 1.00 1.00 H new ATOM 0 HA ALA A 74 3.032 20.391 7.304 1.00 1.00 H new ATOM 0 HB1 ALA A 74 1.095 18.903 7.472 1.00 1.00 H new ATOM 0 HB2 ALA A 74 2.279 18.289 6.293 1.00 1.00 H new ATOM 0 HB3 ALA A 74 2.163 17.548 7.907 1.00 1.00 H new ATOM 175 N SER A 75 1.887 20.631 9.586 1.00 1.00 N ATOM 176 CA SER A 75 1.556 21.047 10.938 1.00 1.00 C ATOM 177 C SER A 75 0.052 21.308 11.052 1.00 1.00 C ATOM 178 O SER A 75 -0.414 22.409 10.766 1.00 1.00 O ATOM 179 CB SER A 75 2.342 22.297 11.339 1.00 1.00 C ATOM 180 OG SER A 75 3.293 22.024 12.364 1.00 1.00 O ATOM 0 H SER A 75 1.278 21.012 8.861 1.00 1.00 H new ATOM 0 HA SER A 75 1.832 20.243 11.620 1.00 1.00 H new ATOM 0 HB2 SER A 75 2.856 22.698 10.465 1.00 1.00 H new ATOM 0 HB3 SER A 75 1.650 23.066 11.682 1.00 1.00 H new ATOM 0 HG SER A 75 3.775 22.847 12.590 1.00 1.00 H new ATOM 186 N GLY A 76 -0.665 20.275 11.470 1.00 1.00 N ATOM 187 CA GLY A 76 -2.106 20.378 11.625 1.00 1.00 C ATOM 188 C GLY A 76 -2.668 19.154 12.351 1.00 1.00 C ATOM 189 O GLY A 76 -2.146 18.749 13.389 1.00 1.00 O ATOM 0 H GLY A 76 -0.275 19.363 11.706 1.00 1.00 H new ATOM 0 HA2 GLY A 76 -2.352 21.281 12.184 1.00 1.00 H new ATOM 0 HA3 GLY A 76 -2.575 20.471 10.646 1.00 1.00 H new ATOM 193 N ASP A 77 -3.725 18.599 11.777 1.00 1.00 N ATOM 194 CA ASP A 77 -4.364 17.430 12.356 1.00 1.00 C ATOM 195 C ASP A 77 -3.385 16.255 12.333 1.00 1.00 C ATOM 196 O ASP A 77 -2.192 16.441 12.098 1.00 1.00 O ATOM 197 CB ASP A 77 -5.605 17.027 11.557 1.00 1.00 C ATOM 198 CG ASP A 77 -5.323 16.499 10.149 1.00 1.00 C ATOM 199 OD1 ASP A 77 -5.205 17.346 9.238 1.00 1.00 O ATOM 200 OD2 ASP A 77 -5.232 15.259 10.016 1.00 1.00 O ATOM 0 H ASP A 77 -4.155 18.938 10.916 1.00 1.00 H new ATOM 0 HA ASP A 77 -4.657 17.677 13.376 1.00 1.00 H new ATOM 0 HB2 ASP A 77 -6.145 16.262 12.114 1.00 1.00 H new ATOM 0 HB3 ASP A 77 -6.265 17.891 11.480 1.00 1.00 H new ATOM 205 N ASN A 78 -3.925 15.071 12.581 1.00 1.00 N ATOM 206 CA ASN A 78 -3.113 13.866 12.592 1.00 1.00 C ATOM 207 C ASN A 78 -2.145 13.897 11.407 1.00 1.00 C ATOM 208 O ASN A 78 -2.536 13.623 10.274 1.00 1.00 O ATOM 209 CB ASN A 78 -3.983 12.614 12.458 1.00 1.00 C ATOM 210 CG ASN A 78 -5.194 12.882 11.561 1.00 1.00 C ATOM 211 OD1 ASN A 78 -6.091 13.637 11.895 1.00 1.00 O ATOM 212 ND2 ASN A 78 -5.168 12.221 10.407 1.00 1.00 N ATOM 0 H ASN A 78 -4.915 14.920 12.776 1.00 1.00 H new ATOM 0 HA ASN A 78 -2.574 13.832 13.539 1.00 1.00 H new ATOM 0 HB2 ASN A 78 -3.391 11.798 12.042 1.00 1.00 H new ATOM 0 HB3 ASN A 78 -4.320 12.293 13.444 1.00 1.00 H new ATOM 0 HD21 ASN A 78 -5.931 12.331 9.739 1.00 1.00 H new ATOM 0 HD22 ASN A 78 -4.385 11.604 10.190 1.00 1.00 H new ATOM 219 N THR A 79 -0.900 14.235 11.710 1.00 1.00 N ATOM 220 CA THR A 79 0.126 14.306 10.685 1.00 1.00 C ATOM 221 C THR A 79 1.487 13.915 11.264 1.00 1.00 C ATOM 222 O THR A 79 1.695 13.987 12.474 1.00 1.00 O ATOM 223 CB THR A 79 0.103 15.715 10.089 1.00 1.00 C ATOM 224 OG1 THR A 79 -0.373 15.522 8.759 1.00 1.00 O ATOM 225 CG2 THR A 79 1.506 16.296 9.902 1.00 1.00 C ATOM 0 H THR A 79 -0.579 14.463 12.651 1.00 1.00 H new ATOM 0 HA THR A 79 -0.068 13.594 9.883 1.00 1.00 H new ATOM 0 HB THR A 79 -0.478 16.372 10.736 1.00 1.00 H new ATOM 0 HG1 THR A 79 -0.421 16.387 8.300 1.00 1.00 H new ATOM 0 HG21 THR A 79 1.432 17.297 9.476 1.00 1.00 H new ATOM 0 HG22 THR A 79 2.010 16.349 10.867 1.00 1.00 H new ATOM 0 HG23 THR A 79 2.078 15.657 9.229 1.00 1.00 H new ATOM 233 N LEU A 80 2.379 13.508 10.373 1.00 1.00 N ATOM 234 CA LEU A 80 3.714 13.105 10.781 1.00 1.00 C ATOM 235 C LEU A 80 4.741 13.713 9.823 1.00 1.00 C ATOM 236 O LEU A 80 4.737 13.411 8.630 1.00 1.00 O ATOM 237 CB LEU A 80 3.804 11.582 10.892 1.00 1.00 C ATOM 238 CG LEU A 80 4.746 11.042 11.969 1.00 1.00 C ATOM 239 CD1 LEU A 80 4.558 9.536 12.158 1.00 1.00 C ATOM 240 CD2 LEU A 80 6.200 11.403 11.657 1.00 1.00 C ATOM 0 H LEU A 80 2.203 13.449 9.370 1.00 1.00 H new ATOM 0 HA LEU A 80 3.939 13.488 11.776 1.00 1.00 H new ATOM 0 HB2 LEU A 80 2.804 11.192 11.083 1.00 1.00 H new ATOM 0 HB3 LEU A 80 4.122 11.186 9.928 1.00 1.00 H new ATOM 0 HG LEU A 80 4.491 11.519 12.915 1.00 1.00 H new ATOM 0 HD11 LEU A 80 5.240 9.178 12.929 1.00 1.00 H new ATOM 0 HD12 LEU A 80 3.530 9.333 12.459 1.00 1.00 H new ATOM 0 HD13 LEU A 80 4.769 9.022 11.220 1.00 1.00 H new ATOM 0 HD21 LEU A 80 6.849 11.007 12.438 1.00 1.00 H new ATOM 0 HD22 LEU A 80 6.484 10.972 10.697 1.00 1.00 H new ATOM 0 HD23 LEU A 80 6.304 12.487 11.613 1.00 1.00 H new ATOM 252 N SER A 81 5.596 14.558 10.380 1.00 1.00 N ATOM 253 CA SER A 81 6.626 15.210 9.590 1.00 1.00 C ATOM 254 C SER A 81 7.813 14.266 9.395 1.00 1.00 C ATOM 255 O SER A 81 8.512 13.935 10.352 1.00 1.00 O ATOM 256 CB SER A 81 7.086 16.511 10.251 1.00 1.00 C ATOM 257 OG SER A 81 6.013 17.435 10.415 1.00 1.00 O ATOM 0 H SER A 81 5.596 14.806 11.369 1.00 1.00 H new ATOM 0 HA SER A 81 6.204 15.458 8.616 1.00 1.00 H new ATOM 0 HB2 SER A 81 7.524 16.288 11.224 1.00 1.00 H new ATOM 0 HB3 SER A 81 7.869 16.968 9.646 1.00 1.00 H new ATOM 0 HG SER A 81 6.347 18.252 10.842 1.00 1.00 H new ATOM 263 N ILE A 82 8.006 13.858 8.149 1.00 1.00 N ATOM 264 CA ILE A 82 9.097 12.957 7.817 1.00 1.00 C ATOM 265 C ILE A 82 10.175 13.729 7.054 1.00 1.00 C ATOM 266 O ILE A 82 9.951 14.863 6.632 1.00 1.00 O ATOM 267 CB ILE A 82 8.571 11.732 7.067 1.00 1.00 C ATOM 268 CG1 ILE A 82 7.078 11.525 7.333 1.00 1.00 C ATOM 269 CG2 ILE A 82 9.392 10.487 7.406 1.00 1.00 C ATOM 270 CD1 ILE A 82 6.828 11.171 8.801 1.00 1.00 C ATOM 0 H ILE A 82 7.425 14.135 7.357 1.00 1.00 H new ATOM 0 HA ILE A 82 9.562 12.571 8.724 1.00 1.00 H new ATOM 0 HB ILE A 82 8.685 11.911 5.998 1.00 1.00 H new ATOM 0 HG12 ILE A 82 6.530 12.431 7.075 1.00 1.00 H new ATOM 0 HG13 ILE A 82 6.698 10.729 6.693 1.00 1.00 H new ATOM 0 HG21 ILE A 82 8.997 9.631 6.859 1.00 1.00 H new ATOM 0 HG22 ILE A 82 10.432 10.649 7.124 1.00 1.00 H new ATOM 0 HG23 ILE A 82 9.333 10.293 8.477 1.00 1.00 H new ATOM 0 HD11 ILE A 82 5.760 11.029 8.964 1.00 1.00 H new ATOM 0 HD12 ILE A 82 7.358 10.252 9.049 1.00 1.00 H new ATOM 0 HD13 ILE A 82 7.188 11.980 9.437 1.00 1.00 H new ATOM 282 N THR A 83 11.323 13.085 6.901 1.00 1.00 N ATOM 283 CA THR A 83 12.436 13.697 6.196 1.00 1.00 C ATOM 284 C THR A 83 12.759 12.911 4.924 1.00 1.00 C ATOM 285 O THR A 83 12.438 11.728 4.822 1.00 1.00 O ATOM 286 CB THR A 83 13.615 13.792 7.167 1.00 1.00 C ATOM 287 OG1 THR A 83 13.011 14.119 8.415 1.00 1.00 O ATOM 288 CG2 THR A 83 14.524 14.986 6.869 1.00 1.00 C ATOM 0 H THR A 83 11.506 12.145 7.253 1.00 1.00 H new ATOM 0 HA THR A 83 12.187 14.705 5.863 1.00 1.00 H new ATOM 0 HB THR A 83 14.198 12.872 7.122 1.00 1.00 H new ATOM 0 HG1 THR A 83 13.704 14.198 9.103 1.00 1.00 H new ATOM 0 HG21 THR A 83 15.344 15.007 7.587 1.00 1.00 H new ATOM 0 HG22 THR A 83 14.927 14.894 5.860 1.00 1.00 H new ATOM 0 HG23 THR A 83 13.950 15.909 6.947 1.00 1.00 H new ATOM 296 N LYS A 84 13.389 13.601 3.984 1.00 1.00 N ATOM 297 CA LYS A 84 13.759 12.982 2.723 1.00 1.00 C ATOM 298 C LYS A 84 14.801 11.891 2.980 1.00 1.00 C ATOM 299 O LYS A 84 15.163 11.632 4.127 1.00 1.00 O ATOM 300 CB LYS A 84 14.215 14.043 1.719 1.00 1.00 C ATOM 301 CG LYS A 84 15.653 14.483 2.001 1.00 1.00 C ATOM 302 CD LYS A 84 16.473 14.538 0.711 1.00 1.00 C ATOM 303 CE LYS A 84 16.655 13.139 0.117 1.00 1.00 C ATOM 304 NZ LYS A 84 17.670 13.161 -0.960 1.00 1.00 N ATOM 0 H LYS A 84 13.652 14.583 4.071 1.00 1.00 H new ATOM 0 HA LYS A 84 12.895 12.497 2.270 1.00 1.00 H new ATOM 0 HB2 LYS A 84 14.145 13.645 0.707 1.00 1.00 H new ATOM 0 HB3 LYS A 84 13.551 14.906 1.769 1.00 1.00 H new ATOM 0 HG2 LYS A 84 15.650 15.464 2.476 1.00 1.00 H new ATOM 0 HG3 LYS A 84 16.118 13.790 2.702 1.00 1.00 H new ATOM 0 HD2 LYS A 84 15.975 15.183 -0.013 1.00 1.00 H new ATOM 0 HD3 LYS A 84 17.448 14.980 0.914 1.00 1.00 H new ATOM 0 HE2 LYS A 84 16.960 12.443 0.898 1.00 1.00 H new ATOM 0 HE3 LYS A 84 15.705 12.779 -0.278 1.00 1.00 H new ATOM 0 HZ1 LYS A 84 17.781 12.204 -1.352 1.00 1.00 H new ATOM 0 HZ2 LYS A 84 17.364 13.810 -1.713 1.00 1.00 H new ATOM 0 HZ3 LYS A 84 18.580 13.484 -0.573 1.00 1.00 H new ATOM 318 N GLY A 85 15.253 11.281 1.895 1.00 1.00 N ATOM 319 CA GLY A 85 16.246 10.225 1.988 1.00 1.00 C ATOM 320 C GLY A 85 15.999 9.348 3.218 1.00 1.00 C ATOM 321 O GLY A 85 16.937 8.792 3.787 1.00 1.00 O ATOM 0 H GLY A 85 14.949 11.498 0.946 1.00 1.00 H new ATOM 0 HA2 GLY A 85 16.216 9.612 1.087 1.00 1.00 H new ATOM 0 HA3 GLY A 85 17.243 10.662 2.043 1.00 1.00 H new ATOM 325 N GLU A 86 14.731 9.252 3.591 1.00 1.00 N ATOM 326 CA GLU A 86 14.349 8.452 4.742 1.00 1.00 C ATOM 327 C GLU A 86 13.593 7.200 4.291 1.00 1.00 C ATOM 328 O GLU A 86 13.066 7.155 3.181 1.00 1.00 O ATOM 329 CB GLU A 86 13.512 9.272 5.726 1.00 1.00 C ATOM 330 CG GLU A 86 13.648 8.726 7.149 1.00 1.00 C ATOM 331 CD GLU A 86 14.247 9.778 8.085 1.00 1.00 C ATOM 332 OE1 GLU A 86 13.725 10.913 8.071 1.00 1.00 O ATOM 333 OE2 GLU A 86 15.215 9.422 8.792 1.00 1.00 O ATOM 0 H GLU A 86 13.956 9.715 3.117 1.00 1.00 H new ATOM 0 HA GLU A 86 15.256 8.139 5.259 1.00 1.00 H new ATOM 0 HB2 GLU A 86 13.831 10.314 5.700 1.00 1.00 H new ATOM 0 HB3 GLU A 86 12.465 9.252 5.423 1.00 1.00 H new ATOM 0 HG2 GLU A 86 12.670 8.419 7.520 1.00 1.00 H new ATOM 0 HG3 GLU A 86 14.280 7.838 7.143 1.00 1.00 H new ATOM 340 N LYS A 87 13.565 6.214 5.176 1.00 1.00 N ATOM 341 CA LYS A 87 12.883 4.965 4.883 1.00 1.00 C ATOM 342 C LYS A 87 11.427 5.064 5.341 1.00 1.00 C ATOM 343 O LYS A 87 11.066 4.536 6.392 1.00 1.00 O ATOM 344 CB LYS A 87 13.641 3.784 5.493 1.00 1.00 C ATOM 345 CG LYS A 87 14.854 4.266 6.292 1.00 1.00 C ATOM 346 CD LYS A 87 14.434 4.773 7.673 1.00 1.00 C ATOM 347 CE LYS A 87 15.425 5.814 8.199 1.00 1.00 C ATOM 348 NZ LYS A 87 16.328 5.209 9.204 1.00 1.00 N ATOM 0 H LYS A 87 14.004 6.255 6.096 1.00 1.00 H new ATOM 0 HA LYS A 87 12.868 4.783 3.808 1.00 1.00 H new ATOM 0 HB2 LYS A 87 12.975 3.216 6.143 1.00 1.00 H new ATOM 0 HB3 LYS A 87 13.967 3.109 4.702 1.00 1.00 H new ATOM 0 HG2 LYS A 87 15.569 3.451 6.402 1.00 1.00 H new ATOM 0 HG3 LYS A 87 15.360 5.063 5.747 1.00 1.00 H new ATOM 0 HD2 LYS A 87 13.437 5.210 7.616 1.00 1.00 H new ATOM 0 HD3 LYS A 87 14.376 3.936 8.369 1.00 1.00 H new ATOM 0 HE2 LYS A 87 16.010 6.218 7.373 1.00 1.00 H new ATOM 0 HE3 LYS A 87 14.883 6.648 8.644 1.00 1.00 H new ATOM 0 HZ1 LYS A 87 16.994 5.929 9.550 1.00 1.00 H new ATOM 0 HZ2 LYS A 87 15.767 4.845 10.000 1.00 1.00 H new ATOM 0 HZ3 LYS A 87 16.859 4.428 8.768 1.00 1.00 H new ATOM 362 N LEU A 88 10.629 5.744 4.530 1.00 1.00 N ATOM 363 CA LEU A 88 9.221 5.919 4.840 1.00 1.00 C ATOM 364 C LEU A 88 8.380 5.469 3.643 1.00 1.00 C ATOM 365 O LEU A 88 8.588 5.934 2.524 1.00 1.00 O ATOM 366 CB LEU A 88 8.943 7.358 5.280 1.00 1.00 C ATOM 367 CG LEU A 88 7.530 7.880 5.014 1.00 1.00 C ATOM 368 CD1 LEU A 88 6.724 7.966 6.312 1.00 1.00 C ATOM 369 CD2 LEU A 88 7.570 9.218 4.273 1.00 1.00 C ATOM 0 H LEU A 88 10.931 6.180 3.659 1.00 1.00 H new ATOM 0 HA LEU A 88 8.937 5.292 5.685 1.00 1.00 H new ATOM 0 HB2 LEU A 88 9.142 7.435 6.349 1.00 1.00 H new ATOM 0 HB3 LEU A 88 9.652 8.014 4.776 1.00 1.00 H new ATOM 0 HG LEU A 88 7.019 7.169 4.365 1.00 1.00 H new ATOM 0 HD11 LEU A 88 5.723 8.340 6.095 1.00 1.00 H new ATOM 0 HD12 LEU A 88 6.652 6.976 6.762 1.00 1.00 H new ATOM 0 HD13 LEU A 88 7.222 8.644 7.005 1.00 1.00 H new ATOM 0 HD21 LEU A 88 6.552 9.567 4.096 1.00 1.00 H new ATOM 0 HD22 LEU A 88 8.106 9.952 4.875 1.00 1.00 H new ATOM 0 HD23 LEU A 88 8.080 9.090 3.318 1.00 1.00 H new ATOM 381 N ARG A 89 7.449 4.568 3.920 1.00 1.00 N ATOM 382 CA ARG A 89 6.576 4.050 2.880 1.00 1.00 C ATOM 383 C ARG A 89 5.118 4.086 3.344 1.00 1.00 C ATOM 384 O ARG A 89 4.843 4.035 4.542 1.00 1.00 O ATOM 385 CB ARG A 89 6.951 2.613 2.512 1.00 1.00 C ATOM 386 CG ARG A 89 8.470 2.451 2.416 1.00 1.00 C ATOM 387 CD ARG A 89 8.838 1.123 1.750 1.00 1.00 C ATOM 388 NE ARG A 89 9.960 0.487 2.475 1.00 1.00 N ATOM 389 CZ ARG A 89 10.261 -0.817 2.398 1.00 1.00 C ATOM 390 NH1 ARG A 89 9.526 -1.630 1.627 1.00 1.00 N ATOM 391 NH2 ARG A 89 11.297 -1.307 3.092 1.00 1.00 N ATOM 0 H ARG A 89 7.280 4.183 4.849 1.00 1.00 H new ATOM 0 HA ARG A 89 6.697 4.682 2.000 1.00 1.00 H new ATOM 0 HB2 ARG A 89 6.555 1.927 3.261 1.00 1.00 H new ATOM 0 HB3 ARG A 89 6.492 2.346 1.560 1.00 1.00 H new ATOM 0 HG2 ARG A 89 8.892 3.278 1.845 1.00 1.00 H new ATOM 0 HG3 ARG A 89 8.908 2.496 3.413 1.00 1.00 H new ATOM 0 HD2 ARG A 89 7.974 0.458 1.744 1.00 1.00 H new ATOM 0 HD3 ARG A 89 9.116 1.293 0.710 1.00 1.00 H new ATOM 0 HE ARG A 89 10.541 1.078 3.070 1.00 1.00 H new ATOM 0 HH11 ARG A 89 8.737 -1.257 1.099 1.00 1.00 H new ATOM 0 HH12 ARG A 89 9.755 -2.622 1.568 1.00 1.00 H new ATOM 0 HH21 ARG A 89 11.856 -0.688 3.679 1.00 1.00 H new ATOM 0 HH22 ARG A 89 11.526 -2.299 3.034 1.00 1.00 H new ATOM 405 N VAL A 90 4.223 4.174 2.371 1.00 1.00 N ATOM 406 CA VAL A 90 2.801 4.218 2.664 1.00 1.00 C ATOM 407 C VAL A 90 2.351 2.853 3.190 1.00 1.00 C ATOM 408 O VAL A 90 2.992 1.838 2.921 1.00 1.00 O ATOM 409 CB VAL A 90 2.024 4.666 1.424 1.00 1.00 C ATOM 410 CG1 VAL A 90 0.562 4.224 1.504 1.00 1.00 C ATOM 411 CG2 VAL A 90 2.130 6.180 1.229 1.00 1.00 C ATOM 0 H VAL A 90 4.455 4.216 1.379 1.00 1.00 H new ATOM 0 HA VAL A 90 2.594 4.952 3.443 1.00 1.00 H new ATOM 0 HB VAL A 90 2.472 4.184 0.555 1.00 1.00 H new ATOM 0 HG11 VAL A 90 0.032 4.555 0.611 1.00 1.00 H new ATOM 0 HG12 VAL A 90 0.514 3.137 1.573 1.00 1.00 H new ATOM 0 HG13 VAL A 90 0.097 4.664 2.386 1.00 1.00 H new ATOM 0 HG21 VAL A 90 1.569 6.473 0.341 1.00 1.00 H new ATOM 0 HG22 VAL A 90 1.720 6.689 2.101 1.00 1.00 H new ATOM 0 HG23 VAL A 90 3.177 6.459 1.105 1.00 1.00 H new ATOM 421 N LEU A 91 1.252 2.873 3.930 1.00 1.00 N ATOM 422 CA LEU A 91 0.709 1.650 4.496 1.00 1.00 C ATOM 423 C LEU A 91 -0.692 1.409 3.929 1.00 1.00 C ATOM 424 O LEU A 91 -0.976 0.333 3.404 1.00 1.00 O ATOM 425 CB LEU A 91 0.753 1.701 6.024 1.00 1.00 C ATOM 426 CG LEU A 91 1.820 0.832 6.694 1.00 1.00 C ATOM 427 CD1 LEU A 91 1.854 1.072 8.205 1.00 1.00 C ATOM 428 CD2 LEU A 91 1.617 -0.646 6.353 1.00 1.00 C ATOM 0 H LEU A 91 0.723 3.717 4.151 1.00 1.00 H new ATOM 0 HA LEU A 91 1.321 0.794 4.211 1.00 1.00 H new ATOM 0 HB2 LEU A 91 0.911 2.735 6.329 1.00 1.00 H new ATOM 0 HB3 LEU A 91 -0.223 1.402 6.406 1.00 1.00 H new ATOM 0 HG LEU A 91 2.794 1.123 6.300 1.00 1.00 H new ATOM 0 HD11 LEU A 91 2.621 0.442 8.656 1.00 1.00 H new ATOM 0 HD12 LEU A 91 2.083 2.119 8.402 1.00 1.00 H new ATOM 0 HD13 LEU A 91 0.883 0.826 8.634 1.00 1.00 H new ATOM 0 HD21 LEU A 91 2.388 -1.241 6.842 1.00 1.00 H new ATOM 0 HD22 LEU A 91 0.635 -0.968 6.701 1.00 1.00 H new ATOM 0 HD23 LEU A 91 1.683 -0.783 5.274 1.00 1.00 H new ATOM 440 N GLY A 92 -1.529 2.428 4.054 1.00 1.00 N ATOM 441 CA GLY A 92 -2.893 2.340 3.561 1.00 1.00 C ATOM 442 C GLY A 92 -3.318 3.647 2.889 1.00 1.00 C ATOM 443 O GLY A 92 -2.506 4.555 2.721 1.00 1.00 O ATOM 0 H GLY A 92 -1.289 3.319 4.489 1.00 1.00 H new ATOM 0 HA2 GLY A 92 -2.974 1.518 2.850 1.00 1.00 H new ATOM 0 HA3 GLY A 92 -3.568 2.115 4.387 1.00 1.00 H new ATOM 447 N TYR A 93 -4.590 3.700 2.522 1.00 1.00 N ATOM 448 CA TYR A 93 -5.133 4.881 1.872 1.00 1.00 C ATOM 449 C TYR A 93 -6.515 5.227 2.429 1.00 1.00 C ATOM 450 O TYR A 93 -7.238 4.348 2.897 1.00 1.00 O ATOM 451 CB TYR A 93 -5.268 4.522 0.391 1.00 1.00 C ATOM 452 CG TYR A 93 -4.250 3.488 -0.095 1.00 1.00 C ATOM 453 CD1 TYR A 93 -4.488 2.142 0.096 1.00 1.00 C ATOM 454 CD2 TYR A 93 -3.093 3.902 -0.723 1.00 1.00 C ATOM 455 CE1 TYR A 93 -3.529 1.170 -0.361 1.00 1.00 C ATOM 456 CE2 TYR A 93 -2.134 2.929 -1.180 1.00 1.00 C ATOM 457 CZ TYR A 93 -2.400 1.611 -0.976 1.00 1.00 C ATOM 458 OH TYR A 93 -1.494 0.692 -1.407 1.00 1.00 O ATOM 0 H TYR A 93 -5.260 2.944 2.662 1.00 1.00 H new ATOM 0 HA TYR A 93 -4.485 5.742 2.036 1.00 1.00 H new ATOM 0 HB2 TYR A 93 -6.273 4.140 0.211 1.00 1.00 H new ATOM 0 HB3 TYR A 93 -5.161 5.429 -0.203 1.00 1.00 H new ATOM 0 HD1 TYR A 93 -5.393 1.818 0.588 1.00 1.00 H new ATOM 0 HD2 TYR A 93 -2.907 4.955 -0.872 1.00 1.00 H new ATOM 0 HE1 TYR A 93 -3.703 0.114 -0.218 1.00 1.00 H new ATOM 0 HE2 TYR A 93 -1.225 3.239 -1.673 1.00 1.00 H new ATOM 0 HH TYR A 93 -0.732 0.669 -0.791 1.00 1.00 H new ATOM 468 N ASN A 94 -6.842 6.509 2.360 1.00 1.00 N ATOM 469 CA ASN A 94 -8.125 6.982 2.851 1.00 1.00 C ATOM 470 C ASN A 94 -9.220 6.602 1.853 1.00 1.00 C ATOM 471 O ASN A 94 -9.939 7.467 1.356 1.00 1.00 O ATOM 472 CB ASN A 94 -8.130 8.505 3.001 1.00 1.00 C ATOM 473 CG ASN A 94 -7.291 9.166 1.906 1.00 1.00 C ATOM 474 OD1 ASN A 94 -6.202 9.665 2.138 1.00 1.00 O ATOM 475 ND2 ASN A 94 -7.856 9.142 0.702 1.00 1.00 N ATOM 0 H ASN A 94 -6.240 7.235 1.971 1.00 1.00 H new ATOM 0 HA ASN A 94 -8.304 6.523 3.823 1.00 1.00 H new ATOM 0 HB2 ASN A 94 -9.154 8.875 2.953 1.00 1.00 H new ATOM 0 HB3 ASN A 94 -7.737 8.779 3.980 1.00 1.00 H new ATOM 0 HD21 ASN A 94 -7.375 9.558 -0.096 1.00 1.00 H new ATOM 0 HD22 ASN A 94 -8.770 8.708 0.576 1.00 1.00 H new ATOM 482 N HIS A 95 -9.312 5.307 1.589 1.00 1.00 N ATOM 483 CA HIS A 95 -10.308 4.801 0.659 1.00 1.00 C ATOM 484 C HIS A 95 -10.460 5.776 -0.510 1.00 1.00 C ATOM 485 O HIS A 95 -11.576 6.085 -0.924 1.00 1.00 O ATOM 486 CB HIS A 95 -11.631 4.525 1.377 1.00 1.00 C ATOM 487 CG HIS A 95 -12.775 4.196 0.449 1.00 1.00 C ATOM 488 ND1 HIS A 95 -12.865 2.995 -0.235 1.00 1.00 N ATOM 489 CD2 HIS A 95 -13.876 4.921 0.099 1.00 1.00 C ATOM 490 CE1 HIS A 95 -13.974 3.009 -0.960 1.00 1.00 C ATOM 491 NE2 HIS A 95 -14.599 4.203 -0.752 1.00 1.00 N ATOM 0 H HIS A 95 -8.713 4.592 2.003 1.00 1.00 H new ATOM 0 HA HIS A 95 -9.978 3.846 0.250 1.00 1.00 H new ATOM 0 HB2 HIS A 95 -11.490 3.697 2.071 1.00 1.00 H new ATOM 0 HB3 HIS A 95 -11.899 5.398 1.972 1.00 1.00 H new ATOM 0 HD2 HIS A 95 -14.119 5.912 0.454 1.00 1.00 H new ATOM 0 HE1 HIS A 95 -14.322 2.214 -1.603 1.00 1.00 H new ATOM 0 HE2 HIS A 95 -15.477 4.496 -1.180 1.00 1.00 H new ATOM 499 N ASN A 96 -9.321 6.234 -1.009 1.00 1.00 N ATOM 500 CA ASN A 96 -9.313 7.168 -2.122 1.00 1.00 C ATOM 501 C ASN A 96 -7.872 7.580 -2.426 1.00 1.00 C ATOM 502 O ASN A 96 -6.969 7.328 -1.630 1.00 1.00 O ATOM 503 CB ASN A 96 -10.106 8.432 -1.786 1.00 1.00 C ATOM 504 CG ASN A 96 -10.566 9.146 -3.059 1.00 1.00 C ATOM 505 OD1 ASN A 96 -10.136 10.243 -3.376 1.00 1.00 O ATOM 506 ND2 ASN A 96 -11.461 8.465 -3.767 1.00 1.00 N ATOM 0 H ASN A 96 -8.397 5.975 -0.663 1.00 1.00 H new ATOM 0 HA ASN A 96 -9.769 6.674 -2.980 1.00 1.00 H new ATOM 0 HB2 ASN A 96 -10.972 8.171 -1.178 1.00 1.00 H new ATOM 0 HB3 ASN A 96 -9.489 9.105 -1.190 1.00 1.00 H new ATOM 0 HD21 ASN A 96 -11.831 8.856 -4.633 1.00 1.00 H new ATOM 0 HD22 ASN A 96 -11.778 7.551 -3.444 1.00 1.00 H new ATOM 513 N GLY A 97 -7.700 8.208 -3.580 1.00 1.00 N ATOM 514 CA GLY A 97 -6.384 8.658 -3.999 1.00 1.00 C ATOM 515 C GLY A 97 -6.126 10.097 -3.545 1.00 1.00 C ATOM 516 O GLY A 97 -5.921 10.985 -4.370 1.00 1.00 O ATOM 0 H GLY A 97 -8.451 8.416 -4.238 1.00 1.00 H new ATOM 0 HA2 GLY A 97 -5.621 8.000 -3.583 1.00 1.00 H new ATOM 0 HA3 GLY A 97 -6.303 8.595 -5.084 1.00 1.00 H new ATOM 520 N GLU A 98 -6.144 10.281 -2.233 1.00 1.00 N ATOM 521 CA GLU A 98 -5.914 11.596 -1.659 1.00 1.00 C ATOM 522 C GLU A 98 -4.695 11.566 -0.735 1.00 1.00 C ATOM 523 O GLU A 98 -3.700 12.243 -0.992 1.00 1.00 O ATOM 524 CB GLU A 98 -7.155 12.093 -0.914 1.00 1.00 C ATOM 525 CG GLU A 98 -7.816 13.252 -1.662 1.00 1.00 C ATOM 526 CD GLU A 98 -7.707 14.553 -0.865 1.00 1.00 C ATOM 527 OE1 GLU A 98 -6.607 15.147 -0.895 1.00 1.00 O ATOM 528 OE2 GLU A 98 -8.725 14.925 -0.243 1.00 1.00 O ATOM 0 H GLU A 98 -6.314 9.542 -1.551 1.00 1.00 H new ATOM 0 HA GLU A 98 -5.713 12.296 -2.470 1.00 1.00 H new ATOM 0 HB2 GLU A 98 -7.867 11.276 -0.801 1.00 1.00 H new ATOM 0 HB3 GLU A 98 -6.877 12.415 0.089 1.00 1.00 H new ATOM 0 HG2 GLU A 98 -7.343 13.378 -2.636 1.00 1.00 H new ATOM 0 HG3 GLU A 98 -8.865 13.020 -1.845 1.00 1.00 H new ATOM 535 N TRP A 99 -4.812 10.776 0.322 1.00 1.00 N ATOM 536 CA TRP A 99 -3.732 10.649 1.285 1.00 1.00 C ATOM 537 C TRP A 99 -3.527 9.160 1.573 1.00 1.00 C ATOM 538 O TRP A 99 -4.422 8.350 1.339 1.00 1.00 O ATOM 539 CB TRP A 99 -4.022 11.467 2.545 1.00 1.00 C ATOM 540 CG TRP A 99 -3.731 12.962 2.397 1.00 1.00 C ATOM 541 CD1 TRP A 99 -4.237 13.816 1.497 1.00 1.00 C ATOM 542 CD2 TRP A 99 -2.840 13.749 3.215 1.00 1.00 C ATOM 543 NE1 TRP A 99 -3.740 15.091 1.674 1.00 1.00 N ATOM 544 CE2 TRP A 99 -2.863 15.049 2.752 1.00 1.00 C ATOM 545 CE3 TRP A 99 -2.041 13.376 4.310 1.00 1.00 C ATOM 546 CZ2 TRP A 99 -2.108 16.080 3.323 1.00 1.00 C ATOM 547 CZ3 TRP A 99 -1.292 14.418 4.870 1.00 1.00 C ATOM 548 CH2 TRP A 99 -1.304 15.731 4.415 1.00 1.00 C ATOM 0 H TRP A 99 -5.639 10.217 0.533 1.00 1.00 H new ATOM 0 HA TRP A 99 -2.805 11.056 0.881 1.00 1.00 H new ATOM 0 HB2 TRP A 99 -5.069 11.336 2.818 1.00 1.00 H new ATOM 0 HB3 TRP A 99 -3.427 11.071 3.368 1.00 1.00 H new ATOM 0 HD1 TRP A 99 -4.945 13.541 0.729 1.00 1.00 H new ATOM 0 HE1 TRP A 99 -3.973 15.913 1.117 1.00 1.00 H new ATOM 0 HE3 TRP A 99 -2.008 12.365 4.689 1.00 1.00 H new ATOM 0 HZ2 TRP A 99 -2.144 17.090 2.942 1.00 1.00 H new ATOM 0 HZ3 TRP A 99 -0.661 14.185 5.715 1.00 1.00 H new ATOM 0 HH2 TRP A 99 -0.696 16.479 4.902 1.00 1.00 H new ATOM 559 N CYS A 100 -2.343 8.845 2.076 1.00 1.00 N ATOM 560 CA CYS A 100 -2.009 7.468 2.399 1.00 1.00 C ATOM 561 C CYS A 100 -1.294 7.451 3.751 1.00 1.00 C ATOM 562 O CYS A 100 -0.314 8.168 3.949 1.00 1.00 O ATOM 563 CB CYS A 100 -1.166 6.818 1.299 1.00 1.00 C ATOM 564 SG CYS A 100 -1.651 7.482 -0.336 1.00 1.00 S ATOM 0 H CYS A 100 -1.603 9.520 2.268 1.00 1.00 H new ATOM 0 HA CYS A 100 -2.922 6.876 2.465 1.00 1.00 H new ATOM 0 HB2 CYS A 100 -0.108 7.009 1.479 1.00 1.00 H new ATOM 0 HB3 CYS A 100 -1.302 5.737 1.316 1.00 1.00 H new ATOM 0 HG CYS A 100 -0.928 6.925 -1.262 1.00 1.00 H new ATOM 570 N GLU A 101 -1.812 6.624 4.648 1.00 1.00 N ATOM 571 CA GLU A 101 -1.236 6.504 5.976 1.00 1.00 C ATOM 572 C GLU A 101 0.120 5.799 5.905 1.00 1.00 C ATOM 573 O GLU A 101 0.246 4.752 5.272 1.00 1.00 O ATOM 574 CB GLU A 101 -2.188 5.770 6.923 1.00 1.00 C ATOM 575 CG GLU A 101 -1.977 6.219 8.370 1.00 1.00 C ATOM 576 CD GLU A 101 -2.815 5.376 9.333 1.00 1.00 C ATOM 577 OE1 GLU A 101 -2.961 4.167 9.050 1.00 1.00 O ATOM 578 OE2 GLU A 101 -3.290 5.959 10.331 1.00 1.00 O ATOM 0 H GLU A 101 -2.625 6.031 4.480 1.00 1.00 H new ATOM 0 HA GLU A 101 -1.081 7.506 6.375 1.00 1.00 H new ATOM 0 HB2 GLU A 101 -3.220 5.960 6.626 1.00 1.00 H new ATOM 0 HB3 GLU A 101 -2.027 4.695 6.845 1.00 1.00 H new ATOM 0 HG2 GLU A 101 -0.922 6.134 8.631 1.00 1.00 H new ATOM 0 HG3 GLU A 101 -2.247 7.270 8.472 1.00 1.00 H new ATOM 585 N ALA A 102 1.099 6.400 6.563 1.00 1.00 N ATOM 586 CA ALA A 102 2.441 5.843 6.583 1.00 1.00 C ATOM 587 C ALA A 102 2.990 5.895 8.010 1.00 1.00 C ATOM 588 O ALA A 102 2.511 6.671 8.835 1.00 1.00 O ATOM 589 CB ALA A 102 3.324 6.601 5.590 1.00 1.00 C ATOM 0 H ALA A 102 0.990 7.268 7.087 1.00 1.00 H new ATOM 0 HA ALA A 102 2.427 4.798 6.274 1.00 1.00 H new ATOM 0 HB1 ALA A 102 4.331 6.183 5.605 1.00 1.00 H new ATOM 0 HB2 ALA A 102 2.907 6.507 4.587 1.00 1.00 H new ATOM 0 HB3 ALA A 102 3.364 7.654 5.869 1.00 1.00 H new ATOM 595 N GLN A 103 3.988 5.059 8.257 1.00 1.00 N ATOM 596 CA GLN A 103 4.608 5.001 9.570 1.00 1.00 C ATOM 597 C GLN A 103 6.003 5.628 9.527 1.00 1.00 C ATOM 598 O GLN A 103 6.469 6.041 8.467 1.00 1.00 O ATOM 599 CB GLN A 103 4.670 3.561 10.083 1.00 1.00 C ATOM 600 CG GLN A 103 4.856 2.574 8.928 1.00 1.00 C ATOM 601 CD GLN A 103 5.371 1.226 9.436 1.00 1.00 C ATOM 602 OE1 GLN A 103 6.470 0.797 9.128 1.00 1.00 O ATOM 603 NE2 GLN A 103 4.517 0.585 10.229 1.00 1.00 N ATOM 0 H GLN A 103 4.383 4.416 7.570 1.00 1.00 H new ATOM 0 HA GLN A 103 3.995 5.574 10.265 1.00 1.00 H new ATOM 0 HB2 GLN A 103 5.493 3.458 10.790 1.00 1.00 H new ATOM 0 HB3 GLN A 103 3.754 3.324 10.624 1.00 1.00 H new ATOM 0 HG2 GLN A 103 3.908 2.433 8.409 1.00 1.00 H new ATOM 0 HG3 GLN A 103 5.558 2.986 8.203 1.00 1.00 H new ATOM 0 HE21 GLN A 103 3.612 1.002 10.447 1.00 1.00 H new ATOM 0 HE22 GLN A 103 4.767 -0.323 10.620 1.00 1.00 H new ATOM 612 N THR A 104 6.629 5.680 10.693 1.00 1.00 N ATOM 613 CA THR A 104 7.961 6.250 10.802 1.00 1.00 C ATOM 614 C THR A 104 8.856 5.354 11.661 1.00 1.00 C ATOM 615 O THR A 104 8.362 4.571 12.471 1.00 1.00 O ATOM 616 CB THR A 104 7.824 7.673 11.348 1.00 1.00 C ATOM 617 OG1 THR A 104 7.486 8.452 10.204 1.00 1.00 O ATOM 618 CG2 THR A 104 9.160 8.253 11.814 1.00 1.00 C ATOM 0 H THR A 104 6.239 5.337 11.571 1.00 1.00 H new ATOM 0 HA THR A 104 8.448 6.305 9.828 1.00 1.00 H new ATOM 0 HB THR A 104 7.119 7.677 12.179 1.00 1.00 H new ATOM 0 HG1 THR A 104 8.246 8.473 9.586 1.00 1.00 H new ATOM 0 HG21 THR A 104 9.006 9.264 12.192 1.00 1.00 H new ATOM 0 HG22 THR A 104 9.571 7.628 12.607 1.00 1.00 H new ATOM 0 HG23 THR A 104 9.856 8.281 10.976 1.00 1.00 H new ATOM 626 N LYS A 105 10.157 5.499 11.455 1.00 1.00 N ATOM 627 CA LYS A 105 11.125 4.712 12.200 1.00 1.00 C ATOM 628 C LYS A 105 10.666 4.591 13.654 1.00 1.00 C ATOM 629 O LYS A 105 10.517 3.485 14.172 1.00 1.00 O ATOM 630 CB LYS A 105 12.528 5.303 12.045 1.00 1.00 C ATOM 631 CG LYS A 105 12.525 6.806 12.333 1.00 1.00 C ATOM 632 CD LYS A 105 13.512 7.540 11.423 1.00 1.00 C ATOM 633 CE LYS A 105 13.121 9.011 11.266 1.00 1.00 C ATOM 634 NZ LYS A 105 13.537 9.788 12.455 1.00 1.00 N ATOM 0 H LYS A 105 10.563 6.150 10.783 1.00 1.00 H new ATOM 0 HA LYS A 105 11.184 3.700 11.799 1.00 1.00 H new ATOM 0 HB2 LYS A 105 13.215 4.800 12.725 1.00 1.00 H new ATOM 0 HB3 LYS A 105 12.892 5.124 11.033 1.00 1.00 H new ATOM 0 HG2 LYS A 105 11.522 7.206 12.186 1.00 1.00 H new ATOM 0 HG3 LYS A 105 12.788 6.981 13.376 1.00 1.00 H new ATOM 0 HD2 LYS A 105 14.517 7.469 11.838 1.00 1.00 H new ATOM 0 HD3 LYS A 105 13.537 7.060 10.445 1.00 1.00 H new ATOM 0 HE2 LYS A 105 13.589 9.424 10.372 1.00 1.00 H new ATOM 0 HE3 LYS A 105 12.043 9.094 11.129 1.00 1.00 H new ATOM 0 HZ1 LYS A 105 12.795 10.475 12.698 1.00 1.00 H new ATOM 0 HZ2 LYS A 105 13.687 9.142 13.256 1.00 1.00 H new ATOM 0 HZ3 LYS A 105 14.422 10.294 12.247 1.00 1.00 H new ATOM 648 N ASN A 106 10.455 5.744 14.273 1.00 1.00 N ATOM 649 CA ASN A 106 10.016 5.780 15.657 1.00 1.00 C ATOM 650 C ASN A 106 8.804 6.706 15.779 1.00 1.00 C ATOM 651 O ASN A 106 8.817 7.652 16.566 1.00 1.00 O ATOM 652 CB ASN A 106 11.118 6.321 16.570 1.00 1.00 C ATOM 653 CG ASN A 106 12.212 7.015 15.757 1.00 1.00 C ATOM 654 OD1 ASN A 106 13.248 6.448 15.452 1.00 1.00 O ATOM 655 ND2 ASN A 106 11.925 8.271 15.424 1.00 1.00 N ATOM 0 H ASN A 106 10.580 6.660 13.841 1.00 1.00 H new ATOM 0 HA ASN A 106 9.765 4.763 15.958 1.00 1.00 H new ATOM 0 HB2 ASN A 106 10.690 7.024 17.285 1.00 1.00 H new ATOM 0 HB3 ASN A 106 11.551 5.504 17.146 1.00 1.00 H new ATOM 0 HD21 ASN A 106 12.592 8.820 14.881 1.00 1.00 H new ATOM 0 HD22 ASN A 106 11.038 8.685 15.712 1.00 1.00 H new ATOM 662 N GLY A 107 7.785 6.402 14.989 1.00 1.00 N ATOM 663 CA GLY A 107 6.567 7.195 14.999 1.00 1.00 C ATOM 664 C GLY A 107 5.583 6.701 13.937 1.00 1.00 C ATOM 665 O GLY A 107 5.940 5.891 13.083 1.00 1.00 O ATOM 0 H GLY A 107 7.778 5.617 14.337 1.00 1.00 H new ATOM 0 HA2 GLY A 107 6.102 7.142 15.983 1.00 1.00 H new ATOM 0 HA3 GLY A 107 6.809 8.242 14.817 1.00 1.00 H new ATOM 669 N GLN A 108 4.362 7.209 14.025 1.00 1.00 N ATOM 670 CA GLN A 108 3.324 6.830 13.083 1.00 1.00 C ATOM 671 C GLN A 108 2.320 7.972 12.910 1.00 1.00 C ATOM 672 O GLN A 108 2.068 8.728 13.847 1.00 1.00 O ATOM 673 CB GLN A 108 2.621 5.546 13.528 1.00 1.00 C ATOM 674 CG GLN A 108 3.147 4.336 12.753 1.00 1.00 C ATOM 675 CD GLN A 108 3.306 3.123 13.671 1.00 1.00 C ATOM 676 OE1 GLN A 108 3.022 3.168 14.857 1.00 1.00 O ATOM 677 NE2 GLN A 108 3.773 2.039 13.060 1.00 1.00 N ATOM 0 H GLN A 108 4.069 7.880 14.735 1.00 1.00 H new ATOM 0 HA GLN A 108 3.792 6.634 12.118 1.00 1.00 H new ATOM 0 HB2 GLN A 108 2.776 5.394 14.596 1.00 1.00 H new ATOM 0 HB3 GLN A 108 1.546 5.643 13.373 1.00 1.00 H new ATOM 0 HG2 GLN A 108 2.462 4.094 11.941 1.00 1.00 H new ATOM 0 HG3 GLN A 108 4.107 4.580 12.298 1.00 1.00 H new ATOM 0 HE21 GLN A 108 3.991 2.069 12.064 1.00 1.00 H new ATOM 0 HE22 GLN A 108 3.913 1.177 13.587 1.00 1.00 H new ATOM 686 N GLY A 109 1.775 8.062 11.706 1.00 1.00 N ATOM 687 CA GLY A 109 0.805 9.099 11.399 1.00 1.00 C ATOM 688 C GLY A 109 0.356 9.015 9.939 1.00 1.00 C ATOM 689 O GLY A 109 0.573 8.002 9.276 1.00 1.00 O ATOM 0 H GLY A 109 1.987 7.433 10.931 1.00 1.00 H new ATOM 0 HA2 GLY A 109 -0.059 8.999 12.055 1.00 1.00 H new ATOM 0 HA3 GLY A 109 1.241 10.079 11.593 1.00 1.00 H new ATOM 693 N TRP A 110 -0.262 10.094 9.480 1.00 1.00 N ATOM 694 CA TRP A 110 -0.743 10.155 8.110 1.00 1.00 C ATOM 695 C TRP A 110 0.278 10.940 7.285 1.00 1.00 C ATOM 696 O TRP A 110 0.901 11.874 7.787 1.00 1.00 O ATOM 697 CB TRP A 110 -2.149 10.755 8.050 1.00 1.00 C ATOM 698 CG TRP A 110 -3.271 9.714 8.052 1.00 1.00 C ATOM 699 CD1 TRP A 110 -3.788 9.061 9.101 1.00 1.00 C ATOM 700 CD2 TRP A 110 -3.997 9.231 6.902 1.00 1.00 C ATOM 701 NE1 TRP A 110 -4.790 8.195 8.714 1.00 1.00 N ATOM 702 CE2 TRP A 110 -4.922 8.302 7.334 1.00 1.00 C ATOM 703 CE3 TRP A 110 -3.877 9.568 5.542 1.00 1.00 C ATOM 704 CZ2 TRP A 110 -5.797 7.633 6.470 1.00 1.00 C ATOM 705 CZ3 TRP A 110 -4.759 8.890 4.692 1.00 1.00 C ATOM 706 CH2 TRP A 110 -5.696 7.952 5.111 1.00 1.00 C ATOM 0 H TRP A 110 -0.441 10.933 10.033 1.00 1.00 H new ATOM 0 HA TRP A 110 -0.835 9.154 7.688 1.00 1.00 H new ATOM 0 HB2 TRP A 110 -2.285 11.422 8.901 1.00 1.00 H new ATOM 0 HB3 TRP A 110 -2.235 11.365 7.150 1.00 1.00 H new ATOM 0 HD1 TRP A 110 -3.462 9.195 10.122 1.00 1.00 H new ATOM 0 HE1 TRP A 110 -5.334 7.588 9.327 1.00 1.00 H new ATOM 0 HE3 TRP A 110 -3.161 10.292 5.182 1.00 1.00 H new ATOM 0 HZ2 TRP A 110 -6.512 6.909 6.833 1.00 1.00 H new ATOM 0 HZ3 TRP A 110 -4.708 9.111 3.636 1.00 1.00 H new ATOM 0 HH2 TRP A 110 -6.343 7.472 4.391 1.00 1.00 H new ATOM 717 N VAL A 111 0.418 10.532 6.032 1.00 1.00 N ATOM 718 CA VAL A 111 1.354 11.185 5.133 1.00 1.00 C ATOM 719 C VAL A 111 0.698 11.359 3.761 1.00 1.00 C ATOM 720 O VAL A 111 0.052 10.442 3.257 1.00 1.00 O ATOM 721 CB VAL A 111 2.662 10.395 5.073 1.00 1.00 C ATOM 722 CG1 VAL A 111 3.050 9.873 6.458 1.00 1.00 C ATOM 723 CG2 VAL A 111 2.566 9.250 4.063 1.00 1.00 C ATOM 0 H VAL A 111 -0.101 9.757 5.618 1.00 1.00 H new ATOM 0 HA VAL A 111 1.608 12.179 5.502 1.00 1.00 H new ATOM 0 HB VAL A 111 3.447 11.072 4.737 1.00 1.00 H new ATOM 0 HG11 VAL A 111 3.984 9.315 6.388 1.00 1.00 H new ATOM 0 HG12 VAL A 111 3.180 10.713 7.140 1.00 1.00 H new ATOM 0 HG13 VAL A 111 2.263 9.219 6.834 1.00 1.00 H new ATOM 0 HG21 VAL A 111 3.510 8.705 4.040 1.00 1.00 H new ATOM 0 HG22 VAL A 111 1.763 8.574 4.355 1.00 1.00 H new ATOM 0 HG23 VAL A 111 2.357 9.655 3.073 1.00 1.00 H new ATOM 733 N PRO A 112 0.891 12.575 3.182 1.00 1.00 N ATOM 734 CA PRO A 112 0.326 12.881 1.879 1.00 1.00 C ATOM 735 C PRO A 112 1.111 12.186 0.764 1.00 1.00 C ATOM 736 O PRO A 112 2.337 12.109 0.818 1.00 1.00 O ATOM 737 CB PRO A 112 0.368 14.397 1.778 1.00 1.00 C ATOM 738 CG PRO A 112 1.374 14.856 2.822 1.00 1.00 C ATOM 739 CD PRO A 112 1.650 13.685 3.750 1.00 1.00 C ATOM 0 HA PRO A 112 -0.695 12.516 1.767 1.00 1.00 H new ATOM 0 HB2 PRO A 112 0.669 14.714 0.779 1.00 1.00 H new ATOM 0 HB3 PRO A 112 -0.615 14.829 1.966 1.00 1.00 H new ATOM 0 HG2 PRO A 112 2.295 15.189 2.344 1.00 1.00 H new ATOM 0 HG3 PRO A 112 0.981 15.704 3.384 1.00 1.00 H new ATOM 0 HD2 PRO A 112 2.715 13.456 3.792 1.00 1.00 H new ATOM 0 HD3 PRO A 112 1.330 13.903 4.769 1.00 1.00 H new ATOM 747 N SER A 113 0.371 11.699 -0.221 1.00 1.00 N ATOM 748 CA SER A 113 0.982 11.013 -1.347 1.00 1.00 C ATOM 749 C SER A 113 1.622 12.030 -2.294 1.00 1.00 C ATOM 750 O SER A 113 2.392 11.660 -3.180 1.00 1.00 O ATOM 751 CB SER A 113 -0.045 10.162 -2.097 1.00 1.00 C ATOM 752 OG SER A 113 -1.378 10.611 -1.870 1.00 1.00 O ATOM 0 H SER A 113 -0.646 11.766 -0.263 1.00 1.00 H new ATOM 0 HA SER A 113 1.755 10.347 -0.963 1.00 1.00 H new ATOM 0 HB2 SER A 113 0.171 10.191 -3.165 1.00 1.00 H new ATOM 0 HB3 SER A 113 0.046 9.123 -1.782 1.00 1.00 H new ATOM 0 HG SER A 113 -1.879 9.919 -1.389 1.00 1.00 H new ATOM 758 N ASN A 114 1.281 13.291 -2.076 1.00 1.00 N ATOM 759 CA ASN A 114 1.813 14.364 -2.899 1.00 1.00 C ATOM 760 C ASN A 114 3.283 14.594 -2.541 1.00 1.00 C ATOM 761 O ASN A 114 4.011 15.249 -3.285 1.00 1.00 O ATOM 762 CB ASN A 114 1.056 15.671 -2.656 1.00 1.00 C ATOM 763 CG ASN A 114 1.105 16.067 -1.179 1.00 1.00 C ATOM 764 OD1 ASN A 114 2.080 15.842 -0.481 1.00 1.00 O ATOM 765 ND2 ASN A 114 0.001 16.666 -0.743 1.00 1.00 N ATOM 0 H ASN A 114 0.642 13.594 -1.341 1.00 1.00 H new ATOM 0 HA ASN A 114 1.704 14.074 -3.944 1.00 1.00 H new ATOM 0 HB2 ASN A 114 1.490 16.465 -3.264 1.00 1.00 H new ATOM 0 HB3 ASN A 114 0.019 15.559 -2.972 1.00 1.00 H new ATOM 0 HD21 ASN A 114 -0.066 16.968 0.229 1.00 1.00 H new ATOM 0 HD22 ASN A 114 -0.779 16.824 -1.381 1.00 1.00 H new ATOM 772 N TYR A 115 3.674 14.044 -1.401 1.00 1.00 N ATOM 773 CA TYR A 115 5.044 14.181 -0.936 1.00 1.00 C ATOM 774 C TYR A 115 5.780 12.841 -0.992 1.00 1.00 C ATOM 775 O TYR A 115 6.982 12.778 -0.743 1.00 1.00 O ATOM 776 CB TYR A 115 4.950 14.637 0.522 1.00 1.00 C ATOM 777 CG TYR A 115 4.916 16.156 0.698 1.00 1.00 C ATOM 778 CD1 TYR A 115 4.429 16.958 -0.315 1.00 1.00 C ATOM 779 CD2 TYR A 115 5.371 16.726 1.870 1.00 1.00 C ATOM 780 CE1 TYR A 115 4.397 18.388 -0.150 1.00 1.00 C ATOM 781 CE2 TYR A 115 5.338 18.156 2.035 1.00 1.00 C ATOM 782 CZ TYR A 115 4.853 18.916 1.017 1.00 1.00 C ATOM 783 OH TYR A 115 4.822 20.267 1.174 1.00 1.00 O ATOM 0 H TYR A 115 3.067 13.503 -0.786 1.00 1.00 H new ATOM 0 HA TYR A 115 5.592 14.886 -1.561 1.00 1.00 H new ATOM 0 HB2 TYR A 115 4.052 14.210 0.968 1.00 1.00 H new ATOM 0 HB3 TYR A 115 5.801 14.237 1.073 1.00 1.00 H new ATOM 0 HD1 TYR A 115 4.072 16.512 -1.232 1.00 1.00 H new ATOM 0 HD2 TYR A 115 5.752 16.099 2.663 1.00 1.00 H new ATOM 0 HE1 TYR A 115 4.020 19.026 -0.935 1.00 1.00 H new ATOM 0 HE2 TYR A 115 5.691 18.615 2.947 1.00 1.00 H new ATOM 0 HH TYR A 115 5.177 20.502 2.057 1.00 1.00 H new ATOM 793 N ILE A 116 5.026 11.802 -1.321 1.00 1.00 N ATOM 794 CA ILE A 116 5.591 10.467 -1.414 1.00 1.00 C ATOM 795 C ILE A 116 5.191 9.840 -2.751 1.00 1.00 C ATOM 796 O ILE A 116 4.090 10.074 -3.246 1.00 1.00 O ATOM 797 CB ILE A 116 5.190 9.630 -0.198 1.00 1.00 C ATOM 798 CG1 ILE A 116 5.505 10.368 1.105 1.00 1.00 C ATOM 799 CG2 ILE A 116 5.842 8.247 -0.244 1.00 1.00 C ATOM 800 CD1 ILE A 116 4.505 9.997 2.201 1.00 1.00 C ATOM 0 H ILE A 116 4.028 11.858 -1.526 1.00 1.00 H new ATOM 0 HA ILE A 116 6.680 10.512 -1.396 1.00 1.00 H new ATOM 0 HB ILE A 116 4.111 9.479 -0.230 1.00 1.00 H new ATOM 0 HG12 ILE A 116 6.515 10.122 1.431 1.00 1.00 H new ATOM 0 HG13 ILE A 116 5.479 11.444 0.933 1.00 1.00 H new ATOM 0 HG21 ILE A 116 5.540 7.673 0.632 1.00 1.00 H new ATOM 0 HG22 ILE A 116 5.525 7.725 -1.147 1.00 1.00 H new ATOM 0 HG23 ILE A 116 6.927 8.356 -0.250 1.00 1.00 H new ATOM 0 HD11 ILE A 116 4.752 10.535 3.116 1.00 1.00 H new ATOM 0 HD12 ILE A 116 3.498 10.267 1.882 1.00 1.00 H new ATOM 0 HD13 ILE A 116 4.551 8.924 2.388 1.00 1.00 H new ATOM 812 N THR A 117 6.108 9.056 -3.298 1.00 1.00 N ATOM 813 CA THR A 117 5.865 8.393 -4.568 1.00 1.00 C ATOM 814 C THR A 117 6.225 6.909 -4.474 1.00 1.00 C ATOM 815 O THR A 117 6.992 6.507 -3.600 1.00 1.00 O ATOM 816 CB THR A 117 6.649 9.141 -5.649 1.00 1.00 C ATOM 817 OG1 THR A 117 7.097 8.112 -6.527 1.00 1.00 O ATOM 818 CG2 THR A 117 7.941 9.761 -5.112 1.00 1.00 C ATOM 0 H THR A 117 7.021 8.865 -2.885 1.00 1.00 H new ATOM 0 HA THR A 117 4.808 8.422 -4.833 1.00 1.00 H new ATOM 0 HB THR A 117 6.022 9.923 -6.077 1.00 1.00 H new ATOM 0 HG1 THR A 117 7.614 8.509 -7.259 1.00 1.00 H new ATOM 0 HG21 THR A 117 8.459 10.279 -5.919 1.00 1.00 H new ATOM 0 HG22 THR A 117 7.702 10.470 -4.319 1.00 1.00 H new ATOM 0 HG23 THR A 117 8.584 8.975 -4.714 1.00 1.00 H new ATOM 826 N PRO A 118 5.639 6.115 -5.409 1.00 1.00 N ATOM 827 CA PRO A 118 5.890 4.684 -5.439 1.00 1.00 C ATOM 828 C PRO A 118 7.279 4.383 -6.004 1.00 1.00 C ATOM 829 O PRO A 118 7.948 5.274 -6.525 1.00 1.00 O ATOM 830 CB PRO A 118 4.766 4.105 -6.284 1.00 1.00 C ATOM 831 CG PRO A 118 4.198 5.271 -7.076 1.00 1.00 C ATOM 832 CD PRO A 118 4.725 6.556 -6.458 1.00 1.00 C ATOM 0 HA PRO A 118 5.894 4.237 -4.445 1.00 1.00 H new ATOM 0 HB2 PRO A 118 5.139 3.326 -6.949 1.00 1.00 H new ATOM 0 HB3 PRO A 118 4.000 3.649 -5.656 1.00 1.00 H new ATOM 0 HG2 PRO A 118 4.494 5.202 -8.123 1.00 1.00 H new ATOM 0 HG3 PRO A 118 3.108 5.254 -7.051 1.00 1.00 H new ATOM 0 HD2 PRO A 118 5.238 7.170 -7.198 1.00 1.00 H new ATOM 0 HD3 PRO A 118 3.915 7.160 -6.049 1.00 1.00 H new ATOM 840 N VAL A 119 7.672 3.123 -5.883 1.00 1.00 N ATOM 841 CA VAL A 119 8.969 2.693 -6.375 1.00 1.00 C ATOM 842 C VAL A 119 8.852 2.326 -7.856 1.00 1.00 C ATOM 843 O VAL A 119 9.814 1.852 -8.459 1.00 1.00 O ATOM 844 CB VAL A 119 9.502 1.546 -5.515 1.00 1.00 C ATOM 845 CG1 VAL A 119 10.830 1.019 -6.063 1.00 1.00 C ATOM 846 CG2 VAL A 119 9.644 1.976 -4.053 1.00 1.00 C ATOM 0 H VAL A 119 7.114 2.386 -5.451 1.00 1.00 H new ATOM 0 HA VAL A 119 9.694 3.503 -6.297 1.00 1.00 H new ATOM 0 HB VAL A 119 8.777 0.733 -5.556 1.00 1.00 H new ATOM 0 HG11 VAL A 119 11.186 0.204 -5.433 1.00 1.00 H new ATOM 0 HG12 VAL A 119 10.685 0.654 -7.080 1.00 1.00 H new ATOM 0 HG13 VAL A 119 11.566 1.823 -6.068 1.00 1.00 H new ATOM 0 HG21 VAL A 119 10.025 1.142 -3.464 1.00 1.00 H new ATOM 0 HG22 VAL A 119 10.338 2.814 -3.986 1.00 1.00 H new ATOM 0 HG23 VAL A 119 8.671 2.279 -3.667 1.00 1.00 H new ATOM 856 N SER A 120 7.666 2.557 -8.398 1.00 1.00 N ATOM 857 CA SER A 120 7.410 2.257 -9.796 1.00 1.00 C ATOM 858 C SER A 120 8.016 3.345 -10.685 1.00 1.00 C ATOM 859 O SER A 120 7.834 4.530 -10.334 1.00 1.00 O ATOM 860 CB SER A 120 5.910 2.125 -10.066 1.00 1.00 C ATOM 861 OG SER A 120 5.641 1.759 -11.417 1.00 1.00 O ATOM 862 OXT SER A 120 8.651 3.044 -11.694 1.00 1.00 O ATOM 0 H SER A 120 6.871 2.949 -7.894 1.00 1.00 H new ATOM 0 HA SER A 120 7.879 1.302 -10.032 1.00 1.00 H new ATOM 0 HB2 SER A 120 5.486 1.377 -9.396 1.00 1.00 H new ATOM 0 HB3 SER A 120 5.417 3.071 -9.841 1.00 1.00 H new ATOM 0 HG SER A 120 4.673 1.683 -11.549 1.00 1.00 H new TER 868 SER A 120