USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 467 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 67 CYS SG : rot -148:sc= 1.68 USER MOD Set 1.2: A 76 CYS SG : rot -172:sc= 0.69 USER MOD Set 1.3: A 112 CYS SG : rot -76:sc= 1.97 USER MOD Set 1.4: A 115 HIS : no HE2:sc= 0.2 K(o=4.5,f=0.54) USER MOD Single : A 65 GLN : amide:sc= -0.987 K(o=-0.99,f=-0.2) USER MOD Single : A 68 CYS SG : rot 180:sc= 0.0082 USER MOD Single : A 82 ASN : amide:sc= -0.43 X(o=-0.43,f=-0.34) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 146:sc= 0.647 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 164:sc= -0.128 (180deg=-0.652) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -0.831 K(o=-0.83,f=-0.12) USER MOD Single : A 96 LYS NZ :NH3+ 178:sc= -1.58 (180deg=-1.66) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ -167:sc= -0.351 (180deg=-0.434) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot -76:sc= 0.211 USER MOD Single : A 108 HIS : no HD1:sc= -0.0125 K(o=-0.012,f=-1.3) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 LYS NZ :NH3+ 160:sc= -0.33 (180deg=-0.907) USER MOD Single : A 117 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 120 GLN : amide:sc= -1.05 K(o=-1.1,f=-0.13) USER MOD Single : A 121 SER OG : rot 106:sc= 0.0654 USER MOD ----------------------------------------------------------------- ATOM 45 N GLN A 65 -11.259 -5.381 7.908 1.00 0.00 N ATOM 46 CA GLN A 65 -11.138 -5.541 6.465 1.00 0.00 C ATOM 47 C GLN A 65 -9.749 -6.020 6.077 1.00 0.00 C ATOM 48 O GLN A 65 -8.831 -6.033 6.896 1.00 0.00 O ATOM 49 CB GLN A 65 -11.454 -4.224 5.754 1.00 0.00 C ATOM 50 CG GLN A 65 -12.693 -3.527 6.305 1.00 0.00 C ATOM 51 CD GLN A 65 -12.478 -2.058 6.637 1.00 0.00 C ATOM 52 OE1 GLN A 65 -13.392 -1.246 6.491 1.00 0.00 O ATOM 53 NE2 GLN A 65 -11.290 -1.706 7.124 1.00 0.00 N ATOM 0 HA GLN A 65 -11.858 -6.297 6.153 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -10.598 -3.555 5.845 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -11.596 -4.417 4.691 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -13.499 -3.610 5.576 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -13.021 -4.048 7.204 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -10.555 -2.405 7.232 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -11.114 -0.737 7.390 1.00 0.00 H new ATOM 62 N LEU A 66 -9.602 -6.411 4.818 1.00 0.00 N ATOM 63 CA LEU A 66 -8.326 -6.893 4.327 1.00 0.00 C ATOM 64 C LEU A 66 -7.751 -5.988 3.251 1.00 0.00 C ATOM 65 O LEU A 66 -8.477 -5.265 2.568 1.00 0.00 O ATOM 66 CB LEU A 66 -8.450 -8.313 3.820 1.00 0.00 C ATOM 67 CG LEU A 66 -7.597 -9.285 4.614 1.00 0.00 C ATOM 68 CD1 LEU A 66 -8.264 -9.653 5.925 1.00 0.00 C ATOM 69 CD2 LEU A 66 -7.299 -10.510 3.812 1.00 0.00 C ATOM 0 H LEU A 66 -10.349 -6.403 4.124 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.631 -6.881 5.166 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.493 -8.624 3.870 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.156 -8.349 2.771 1.00 0.00 H new ATOM 0 HG LEU A 66 -6.654 -8.789 4.844 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -7.630 -10.351 6.473 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -8.414 -8.753 6.522 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -9.228 -10.120 5.724 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -6.686 -11.191 4.402 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -8.232 -11.003 3.541 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -6.760 -10.230 2.907 1.00 0.00 H new ATOM 81 N CYS A 67 -6.432 -6.039 3.119 1.00 0.00 N ATOM 82 CA CYS A 67 -5.709 -5.237 2.141 1.00 0.00 C ATOM 83 C CYS A 67 -6.380 -5.289 0.768 1.00 0.00 C ATOM 84 O CYS A 67 -7.051 -6.265 0.432 1.00 0.00 O ATOM 85 CB CYS A 67 -4.270 -5.748 2.045 1.00 0.00 C ATOM 86 SG CYS A 67 -3.162 -4.691 1.091 1.00 0.00 S ATOM 0 H CYS A 67 -5.833 -6.638 3.687 1.00 0.00 H new ATOM 0 HA CYS A 67 -5.715 -4.197 2.469 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -3.869 -5.857 3.053 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -4.280 -6.741 1.596 1.00 0.00 H new ATOM 0 HG CYS A 67 -2.263 -5.423 0.503 1.00 0.00 H new ATOM 91 N CYS A 68 -6.197 -4.229 -0.020 1.00 0.00 N ATOM 92 CA CYS A 68 -6.782 -4.157 -1.359 1.00 0.00 C ATOM 93 C CYS A 68 -5.701 -4.155 -2.440 1.00 0.00 C ATOM 94 O CYS A 68 -5.950 -3.762 -3.579 1.00 0.00 O ATOM 95 CB CYS A 68 -7.659 -2.911 -1.497 1.00 0.00 C ATOM 96 SG CYS A 68 -6.796 -1.359 -1.165 1.00 0.00 S ATOM 0 H CYS A 68 -5.650 -3.410 0.245 1.00 0.00 H new ATOM 0 HA CYS A 68 -7.400 -5.044 -1.496 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -8.068 -2.878 -2.507 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -8.504 -2.997 -0.814 1.00 0.00 H new ATOM 0 HG CYS A 68 -7.621 -0.364 -1.310 1.00 0.00 H new ATOM 102 N LEU A 69 -4.503 -4.593 -2.074 1.00 0.00 N ATOM 103 CA LEU A 69 -3.387 -4.666 -3.006 1.00 0.00 C ATOM 104 C LEU A 69 -3.050 -6.124 -3.269 1.00 0.00 C ATOM 105 O LEU A 69 -3.349 -6.994 -2.449 1.00 0.00 O ATOM 106 CB LEU A 69 -2.160 -3.941 -2.448 1.00 0.00 C ATOM 107 CG LEU A 69 -2.355 -2.452 -2.160 1.00 0.00 C ATOM 108 CD1 LEU A 69 -1.159 -1.898 -1.400 1.00 0.00 C ATOM 109 CD2 LEU A 69 -2.567 -1.679 -3.453 1.00 0.00 C ATOM 0 H LEU A 69 -4.279 -4.905 -1.129 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.675 -4.178 -3.937 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.855 -4.435 -1.526 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.339 -4.053 -3.156 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.245 -2.335 -1.541 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.313 -0.837 -1.203 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.050 -2.431 -0.455 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.256 -2.029 -1.997 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.704 -0.622 -3.227 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.697 -1.802 -4.098 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.453 -2.058 -3.963 1.00 0.00 H new ATOM 121 N ARG A 70 -2.429 -6.394 -4.405 1.00 0.00 N ATOM 122 CA ARG A 70 -2.071 -7.758 -4.762 1.00 0.00 C ATOM 123 C ARG A 70 -0.569 -7.906 -4.945 1.00 0.00 C ATOM 124 O ARG A 70 0.054 -7.137 -5.671 1.00 0.00 O ATOM 125 CB ARG A 70 -2.779 -8.163 -6.051 1.00 0.00 C ATOM 126 CG ARG A 70 -4.284 -7.973 -6.014 1.00 0.00 C ATOM 127 CD ARG A 70 -4.905 -8.314 -7.355 1.00 0.00 C ATOM 128 NE ARG A 70 -6.323 -8.643 -7.235 1.00 0.00 N ATOM 129 CZ ARG A 70 -6.948 -9.535 -8.001 1.00 0.00 C ATOM 130 NH1 ARG A 70 -6.302 -10.169 -8.974 1.00 0.00 N ATOM 131 NH2 ARG A 70 -8.234 -9.788 -7.801 1.00 0.00 N ATOM 0 H ARG A 70 -2.163 -5.690 -5.094 1.00 0.00 H new ATOM 0 HA ARG A 70 -2.386 -8.409 -3.946 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -2.370 -7.581 -6.877 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -2.560 -9.210 -6.260 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.715 -8.605 -5.238 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -4.518 -6.941 -5.752 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -4.785 -7.470 -8.035 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.374 -9.157 -7.796 1.00 0.00 H new ATOM 0 HE ARG A 70 -6.868 -8.160 -6.521 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -5.315 -9.975 -9.142 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -6.793 -10.850 -9.553 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -8.741 -9.300 -7.063 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -8.716 -10.471 -8.386 1.00 0.00 H new ATOM 145 N GLU A 71 0.010 -8.899 -4.282 1.00 0.00 N ATOM 146 CA GLU A 71 1.438 -9.154 -4.401 1.00 0.00 C ATOM 147 C GLU A 71 1.671 -10.442 -5.181 1.00 0.00 C ATOM 148 O GLU A 71 1.419 -11.538 -4.681 1.00 0.00 O ATOM 149 CB GLU A 71 2.096 -9.250 -3.027 1.00 0.00 C ATOM 150 CG GLU A 71 3.610 -9.362 -3.099 1.00 0.00 C ATOM 151 CD GLU A 71 4.208 -10.007 -1.866 1.00 0.00 C ATOM 152 OE1 GLU A 71 3.800 -11.141 -1.535 1.00 0.00 O ATOM 153 OE2 GLU A 71 5.088 -9.384 -1.236 1.00 0.00 O ATOM 0 H GLU A 71 -0.485 -9.538 -3.660 1.00 0.00 H new ATOM 0 HA GLU A 71 1.890 -8.319 -4.936 1.00 0.00 H new ATOM 0 HB2 GLU A 71 1.830 -8.370 -2.441 1.00 0.00 H new ATOM 0 HB3 GLU A 71 1.698 -10.117 -2.500 1.00 0.00 H new ATOM 0 HG2 GLU A 71 3.886 -9.944 -3.978 1.00 0.00 H new ATOM 0 HG3 GLU A 71 4.038 -8.368 -3.228 1.00 0.00 H new ATOM 160 N ASP A 72 2.148 -10.299 -6.413 1.00 0.00 N ATOM 161 CA ASP A 72 2.402 -11.448 -7.274 1.00 0.00 C ATOM 162 C ASP A 72 1.122 -12.244 -7.503 1.00 0.00 C ATOM 163 O ASP A 72 1.147 -13.472 -7.589 1.00 0.00 O ATOM 164 CB ASP A 72 3.484 -12.347 -6.673 1.00 0.00 C ATOM 165 CG ASP A 72 4.874 -11.766 -6.844 1.00 0.00 C ATOM 166 OD1 ASP A 72 5.183 -11.281 -7.953 1.00 0.00 O ATOM 167 OD2 ASP A 72 5.656 -11.800 -5.870 1.00 0.00 O ATOM 0 H ASP A 72 2.367 -9.398 -6.838 1.00 0.00 H new ATOM 0 HA ASP A 72 2.756 -11.077 -8.236 1.00 0.00 H new ATOM 0 HB2 ASP A 72 3.282 -12.495 -5.612 1.00 0.00 H new ATOM 0 HB3 ASP A 72 3.442 -13.328 -7.146 1.00 0.00 H new ATOM 172 N GLY A 73 0.003 -11.532 -7.603 1.00 0.00 N ATOM 173 CA GLY A 73 -1.273 -12.182 -7.829 1.00 0.00 C ATOM 174 C GLY A 73 -1.970 -12.588 -6.544 1.00 0.00 C ATOM 175 O GLY A 73 -3.163 -12.892 -6.551 1.00 0.00 O ATOM 0 H GLY A 73 -0.041 -10.515 -7.531 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.922 -11.510 -8.391 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -1.119 -13.067 -8.447 1.00 0.00 H new ATOM 179 N GLU A 74 -1.231 -12.595 -5.437 1.00 0.00 N ATOM 180 CA GLU A 74 -1.798 -12.977 -4.146 1.00 0.00 C ATOM 181 C GLU A 74 -2.376 -11.766 -3.415 1.00 0.00 C ATOM 182 O GLU A 74 -1.756 -10.704 -3.357 1.00 0.00 O ATOM 183 CB GLU A 74 -0.741 -13.670 -3.288 1.00 0.00 C ATOM 184 CG GLU A 74 -0.403 -15.071 -3.771 1.00 0.00 C ATOM 185 CD GLU A 74 -1.614 -15.985 -3.793 1.00 0.00 C ATOM 186 OE1 GLU A 74 -1.914 -16.595 -2.746 1.00 0.00 O ATOM 187 OE2 GLU A 74 -2.263 -16.090 -4.855 1.00 0.00 O ATOM 0 H GLU A 74 -0.243 -12.342 -5.408 1.00 0.00 H new ATOM 0 HA GLU A 74 -2.615 -13.676 -4.328 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.166 -13.066 -3.282 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.095 -13.723 -2.259 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.023 -15.014 -4.773 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.361 -15.501 -3.123 1.00 0.00 H new ATOM 194 N ARG A 75 -3.567 -11.947 -2.846 1.00 0.00 N ATOM 195 CA ARG A 75 -4.262 -10.873 -2.141 1.00 0.00 C ATOM 196 C ARG A 75 -3.689 -10.620 -0.747 1.00 0.00 C ATOM 197 O ARG A 75 -4.351 -10.871 0.261 1.00 0.00 O ATOM 198 CB ARG A 75 -5.748 -11.198 -2.027 1.00 0.00 C ATOM 199 CG ARG A 75 -6.628 -9.966 -1.917 1.00 0.00 C ATOM 200 CD ARG A 75 -6.791 -9.283 -3.266 1.00 0.00 C ATOM 201 NE ARG A 75 -7.084 -10.240 -4.330 1.00 0.00 N ATOM 202 CZ ARG A 75 -8.214 -10.939 -4.410 1.00 0.00 C ATOM 203 NH1 ARG A 75 -9.174 -10.766 -3.511 1.00 0.00 N ATOM 204 NH2 ARG A 75 -8.389 -11.806 -5.397 1.00 0.00 N ATOM 0 H ARG A 75 -4.072 -12.833 -2.860 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.119 -9.965 -2.726 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -6.054 -11.777 -2.898 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.908 -11.829 -1.153 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -7.607 -10.249 -1.529 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -6.192 -9.267 -1.203 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -7.595 -8.549 -3.206 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -5.879 -8.738 -3.509 1.00 0.00 H new ATOM 0 HE ARG A 75 -6.381 -10.381 -5.055 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -9.048 -10.095 -2.754 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -10.038 -11.304 -3.577 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -7.658 -11.938 -6.096 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -9.255 -12.341 -5.458 1.00 0.00 H new ATOM 218 N CYS A 76 -2.459 -10.121 -0.706 1.00 0.00 N ATOM 219 CA CYS A 76 -1.780 -9.789 0.549 1.00 0.00 C ATOM 220 C CYS A 76 -2.098 -10.793 1.681 1.00 0.00 C ATOM 221 O CYS A 76 -1.534 -11.887 1.707 1.00 0.00 O ATOM 222 CB CYS A 76 -2.126 -8.342 0.934 1.00 0.00 C ATOM 223 SG CYS A 76 -1.053 -7.619 2.195 1.00 0.00 S ATOM 0 H CYS A 76 -1.901 -9.934 -1.539 1.00 0.00 H new ATOM 0 HA CYS A 76 -0.703 -9.868 0.397 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -2.081 -7.722 0.039 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -3.155 -8.312 1.291 1.00 0.00 H new ATOM 0 HG CYS A 76 -1.534 -6.470 2.567 1.00 0.00 H new ATOM 228 N GLY A 77 -2.993 -10.436 2.607 1.00 0.00 N ATOM 229 CA GLY A 77 -3.322 -11.338 3.700 1.00 0.00 C ATOM 230 C GLY A 77 -3.445 -10.612 5.026 1.00 0.00 C ATOM 231 O GLY A 77 -4.193 -11.035 5.910 1.00 0.00 O ATOM 0 H GLY A 77 -3.491 -9.546 2.618 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -4.260 -11.847 3.478 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -2.553 -12.106 3.779 1.00 0.00 H new ATOM 235 N ARG A 78 -2.700 -9.521 5.168 1.00 0.00 N ATOM 236 CA ARG A 78 -2.737 -8.718 6.384 1.00 0.00 C ATOM 237 C ARG A 78 -3.957 -7.808 6.365 1.00 0.00 C ATOM 238 O ARG A 78 -4.276 -7.207 5.340 1.00 0.00 O ATOM 239 CB ARG A 78 -1.460 -7.887 6.509 1.00 0.00 C ATOM 240 CG ARG A 78 -1.445 -6.964 7.715 1.00 0.00 C ATOM 241 CD ARG A 78 -0.140 -6.192 7.799 1.00 0.00 C ATOM 242 NE ARG A 78 -0.051 -5.396 9.020 1.00 0.00 N ATOM 243 CZ ARG A 78 1.091 -5.111 9.645 1.00 0.00 C ATOM 244 NH1 ARG A 78 2.252 -5.540 9.164 1.00 0.00 N ATOM 245 NH2 ARG A 78 1.074 -4.388 10.756 1.00 0.00 N ATOM 0 H ARG A 78 -2.061 -9.172 4.453 1.00 0.00 H new ATOM 0 HA ARG A 78 -2.804 -9.383 7.245 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -0.604 -8.560 6.567 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -1.336 -7.291 5.605 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.280 -6.266 7.653 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -1.585 -7.548 8.625 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.697 -6.890 7.760 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -0.050 -5.537 6.932 1.00 0.00 H new ATOM 0 HE ARG A 78 -0.917 -5.035 9.420 1.00 0.00 H new ATOM 0 HH11 ARG A 78 2.276 -6.094 8.308 1.00 0.00 H new ATOM 0 HH12 ARG A 78 3.120 -5.316 9.651 1.00 0.00 H new ATOM 0 HH21 ARG A 78 0.188 -4.051 11.131 1.00 0.00 H new ATOM 0 HH22 ARG A 78 1.947 -4.169 11.235 1.00 0.00 H new ATOM 259 N ALA A 79 -4.640 -7.707 7.494 1.00 0.00 N ATOM 260 CA ALA A 79 -5.834 -6.881 7.571 1.00 0.00 C ATOM 261 C ALA A 79 -5.523 -5.413 7.270 1.00 0.00 C ATOM 262 O ALA A 79 -4.377 -4.974 7.373 1.00 0.00 O ATOM 263 CB ALA A 79 -6.484 -7.029 8.936 1.00 0.00 C ATOM 0 H ALA A 79 -4.391 -8.182 8.362 1.00 0.00 H new ATOM 0 HA ALA A 79 -6.534 -7.225 6.810 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -7.377 -6.406 8.983 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -6.759 -8.071 9.097 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.782 -6.716 9.709 1.00 0.00 H new ATOM 269 N ALA A 80 -6.559 -4.661 6.897 1.00 0.00 N ATOM 270 CA ALA A 80 -6.411 -3.244 6.566 1.00 0.00 C ATOM 271 C ALA A 80 -6.021 -2.417 7.787 1.00 0.00 C ATOM 272 O ALA A 80 -6.091 -2.895 8.919 1.00 0.00 O ATOM 273 CB ALA A 80 -7.700 -2.712 5.957 1.00 0.00 C ATOM 0 H ALA A 80 -7.513 -5.012 6.816 1.00 0.00 H new ATOM 0 HA ALA A 80 -5.605 -3.154 5.837 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.579 -1.656 5.714 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.930 -3.269 5.049 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -8.515 -2.829 6.671 1.00 0.00 H new ATOM 279 N GLY A 81 -5.620 -1.167 7.552 1.00 0.00 N ATOM 280 CA GLY A 81 -5.211 -0.305 8.647 1.00 0.00 C ATOM 281 C GLY A 81 -5.832 1.082 8.601 1.00 0.00 C ATOM 282 O GLY A 81 -7.022 1.233 8.321 1.00 0.00 O ATOM 0 H GLY A 81 -5.572 -0.740 6.627 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.477 -0.781 9.591 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.125 -0.207 8.634 1.00 0.00 H new ATOM 286 N ASN A 82 -5.012 2.097 8.873 1.00 0.00 N ATOM 287 CA ASN A 82 -5.473 3.485 8.900 1.00 0.00 C ATOM 288 C ASN A 82 -4.980 4.284 7.691 1.00 0.00 C ATOM 289 O ASN A 82 -5.205 5.492 7.615 1.00 0.00 O ATOM 290 CB ASN A 82 -4.976 4.159 10.182 1.00 0.00 C ATOM 291 CG ASN A 82 -5.857 5.307 10.660 1.00 0.00 C ATOM 292 OD1 ASN A 82 -5.834 5.656 11.840 1.00 0.00 O ATOM 293 ND2 ASN A 82 -6.643 5.902 9.763 1.00 0.00 N ATOM 0 H ASN A 82 -4.020 1.983 9.079 1.00 0.00 H new ATOM 0 HA ASN A 82 -6.562 3.470 8.867 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -4.911 3.411 10.972 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -3.966 4.534 10.015 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -7.250 6.671 10.047 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -6.638 5.588 8.793 1.00 0.00 H new ATOM 300 N ALA A 83 -4.312 3.625 6.752 1.00 0.00 N ATOM 301 CA ALA A 83 -3.797 4.317 5.575 1.00 0.00 C ATOM 302 C ALA A 83 -4.774 4.244 4.410 1.00 0.00 C ATOM 303 O ALA A 83 -5.830 3.617 4.502 1.00 0.00 O ATOM 304 CB ALA A 83 -2.451 3.741 5.170 1.00 0.00 C ATOM 0 H ALA A 83 -4.115 2.625 6.780 1.00 0.00 H new ATOM 0 HA ALA A 83 -3.670 5.367 5.838 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -2.080 4.267 4.291 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.743 3.860 5.990 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -2.563 2.682 4.938 1.00 0.00 H new ATOM 310 N SER A 84 -4.411 4.897 3.312 1.00 0.00 N ATOM 311 CA SER A 84 -5.240 4.910 2.117 1.00 0.00 C ATOM 312 C SER A 84 -4.373 4.860 0.866 1.00 0.00 C ATOM 313 O SER A 84 -3.204 5.244 0.893 1.00 0.00 O ATOM 314 CB SER A 84 -6.113 6.166 2.082 1.00 0.00 C ATOM 315 OG SER A 84 -5.357 7.301 1.695 1.00 0.00 O ATOM 0 H SER A 84 -3.543 5.426 3.227 1.00 0.00 H new ATOM 0 HA SER A 84 -5.882 4.030 2.143 1.00 0.00 H new ATOM 0 HB2 SER A 84 -6.938 6.020 1.385 1.00 0.00 H new ATOM 0 HB3 SER A 84 -6.552 6.335 3.065 1.00 0.00 H new ATOM 0 HG SER A 84 -5.937 8.090 1.678 1.00 0.00 H new ATOM 321 N PHE A 85 -4.951 4.380 -0.225 1.00 0.00 N ATOM 322 CA PHE A 85 -4.237 4.297 -1.490 1.00 0.00 C ATOM 323 C PHE A 85 -4.276 5.650 -2.187 1.00 0.00 C ATOM 324 O PHE A 85 -5.350 6.205 -2.420 1.00 0.00 O ATOM 325 CB PHE A 85 -4.865 3.225 -2.376 1.00 0.00 C ATOM 326 CG PHE A 85 -4.103 2.941 -3.638 1.00 0.00 C ATOM 327 CD1 PHE A 85 -2.876 2.297 -3.596 1.00 0.00 C ATOM 328 CD2 PHE A 85 -4.630 3.291 -4.868 1.00 0.00 C ATOM 329 CE1 PHE A 85 -2.193 2.005 -4.761 1.00 0.00 C ATOM 330 CE2 PHE A 85 -3.949 3.010 -6.035 1.00 0.00 C ATOM 331 CZ PHE A 85 -2.732 2.363 -5.983 1.00 0.00 C ATOM 0 H PHE A 85 -5.913 4.042 -0.260 1.00 0.00 H new ATOM 0 HA PHE A 85 -3.199 4.025 -1.301 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -4.952 2.302 -1.803 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -5.877 3.534 -2.638 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -2.450 2.021 -2.643 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -5.586 3.790 -4.916 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -1.240 1.498 -4.717 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -4.369 3.296 -6.988 1.00 0.00 H new ATOM 0 HZ PHE A 85 -2.201 2.136 -6.896 1.00 0.00 H new ATOM 341 N SER A 86 -3.108 6.184 -2.514 1.00 0.00 N ATOM 342 CA SER A 86 -3.031 7.483 -3.165 1.00 0.00 C ATOM 343 C SER A 86 -2.156 7.438 -4.412 1.00 0.00 C ATOM 344 O SER A 86 -1.680 6.378 -4.817 1.00 0.00 O ATOM 345 CB SER A 86 -2.483 8.523 -2.188 1.00 0.00 C ATOM 346 OG SER A 86 -1.218 8.131 -1.686 1.00 0.00 O ATOM 0 H SER A 86 -2.206 5.741 -2.340 1.00 0.00 H new ATOM 0 HA SER A 86 -4.039 7.760 -3.473 1.00 0.00 H new ATOM 0 HB2 SER A 86 -2.397 9.487 -2.689 1.00 0.00 H new ATOM 0 HB3 SER A 86 -3.181 8.654 -1.362 1.00 0.00 H new ATOM 0 HG SER A 86 -0.662 8.925 -1.543 1.00 0.00 H new ATOM 352 N LYS A 87 -1.964 8.604 -5.020 1.00 0.00 N ATOM 353 CA LYS A 87 -1.137 8.724 -6.213 1.00 0.00 C ATOM 354 C LYS A 87 0.337 8.634 -5.837 1.00 0.00 C ATOM 355 O LYS A 87 1.139 8.031 -6.550 1.00 0.00 O ATOM 356 CB LYS A 87 -1.421 10.047 -6.933 1.00 0.00 C ATOM 357 CG LYS A 87 -1.391 11.264 -6.020 1.00 0.00 C ATOM 358 CD LYS A 87 -1.560 12.555 -6.804 1.00 0.00 C ATOM 359 CE LYS A 87 -0.323 12.875 -7.625 1.00 0.00 C ATOM 360 NZ LYS A 87 -0.551 14.016 -8.552 1.00 0.00 N ATOM 0 H LYS A 87 -2.373 9.483 -4.703 1.00 0.00 H new ATOM 0 HA LYS A 87 -1.380 7.905 -6.890 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -0.687 10.182 -7.727 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -2.399 9.987 -7.410 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -2.184 11.182 -5.277 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -0.447 11.289 -5.476 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -2.424 12.471 -7.464 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -1.763 13.376 -6.116 1.00 0.00 H new ATOM 0 HE2 LYS A 87 0.505 13.110 -6.957 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -0.030 11.995 -8.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 0.317 14.202 -9.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -1.324 13.782 -9.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -0.806 14.863 -8.004 1.00 0.00 H new ATOM 374 N ARG A 88 0.682 9.241 -4.705 1.00 0.00 N ATOM 375 CA ARG A 88 2.051 9.222 -4.208 1.00 0.00 C ATOM 376 C ARG A 88 2.535 7.780 -4.069 1.00 0.00 C ATOM 377 O ARG A 88 3.638 7.442 -4.500 1.00 0.00 O ATOM 378 CB ARG A 88 2.123 9.978 -2.873 1.00 0.00 C ATOM 379 CG ARG A 88 3.363 9.692 -2.028 1.00 0.00 C ATOM 380 CD ARG A 88 3.165 8.516 -1.075 1.00 0.00 C ATOM 381 NE ARG A 88 1.772 8.372 -0.639 1.00 0.00 N ATOM 382 CZ ARG A 88 1.314 8.626 0.590 1.00 0.00 C ATOM 383 NH1 ARG A 88 2.107 9.097 1.543 1.00 0.00 N ATOM 384 NH2 ARG A 88 0.033 8.419 0.863 1.00 0.00 N ATOM 0 H ARG A 88 0.028 9.754 -4.114 1.00 0.00 H new ATOM 0 HA ARG A 88 2.710 9.724 -4.916 1.00 0.00 H new ATOM 0 HB2 ARG A 88 2.081 11.048 -3.077 1.00 0.00 H new ATOM 0 HB3 ARG A 88 1.238 9.731 -2.286 1.00 0.00 H new ATOM 0 HG2 ARG A 88 4.207 9.484 -2.686 1.00 0.00 H new ATOM 0 HG3 ARG A 88 3.620 10.582 -1.453 1.00 0.00 H new ATOM 0 HD2 ARG A 88 3.485 7.597 -1.566 1.00 0.00 H new ATOM 0 HD3 ARG A 88 3.803 8.649 -0.202 1.00 0.00 H new ATOM 0 HE ARG A 88 1.096 8.051 -1.332 1.00 0.00 H new ATOM 0 HH11 ARG A 88 3.092 9.274 1.346 1.00 0.00 H new ATOM 0 HH12 ARG A 88 1.732 9.282 2.473 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -0.593 8.069 0.138 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -0.326 8.610 1.798 1.00 0.00 H new ATOM 398 N ILE A 89 1.696 6.928 -3.481 1.00 0.00 N ATOM 399 CA ILE A 89 2.036 5.521 -3.318 1.00 0.00 C ATOM 400 C ILE A 89 2.252 4.880 -4.685 1.00 0.00 C ATOM 401 O ILE A 89 3.196 4.117 -4.884 1.00 0.00 O ATOM 402 CB ILE A 89 0.936 4.756 -2.543 1.00 0.00 C ATOM 403 CG1 ILE A 89 0.833 5.299 -1.115 1.00 0.00 C ATOM 404 CG2 ILE A 89 1.218 3.256 -2.524 1.00 0.00 C ATOM 405 CD1 ILE A 89 -0.060 4.478 -0.211 1.00 0.00 C ATOM 0 H ILE A 89 0.781 7.189 -3.112 1.00 0.00 H new ATOM 0 HA ILE A 89 2.956 5.462 -2.736 1.00 0.00 H new ATOM 0 HB ILE A 89 -0.015 4.910 -3.053 1.00 0.00 H new ATOM 0 HG12 ILE A 89 1.832 5.343 -0.680 1.00 0.00 H new ATOM 0 HG13 ILE A 89 0.456 6.321 -1.151 1.00 0.00 H new ATOM 0 HG21 ILE A 89 0.429 2.744 -1.973 1.00 0.00 H new ATOM 0 HG22 ILE A 89 1.250 2.879 -3.546 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.177 3.072 -2.039 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -0.082 4.926 0.783 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -1.070 4.454 -0.621 1.00 0.00 H new ATOM 0 HD13 ILE A 89 0.327 3.462 -0.142 1.00 0.00 H new ATOM 417 N GLN A 90 1.367 5.200 -5.626 1.00 0.00 N ATOM 418 CA GLN A 90 1.475 4.674 -6.981 1.00 0.00 C ATOM 419 C GLN A 90 2.847 5.001 -7.554 1.00 0.00 C ATOM 420 O GLN A 90 3.534 4.133 -8.090 1.00 0.00 O ATOM 421 CB GLN A 90 0.381 5.267 -7.871 1.00 0.00 C ATOM 422 CG GLN A 90 0.536 4.917 -9.344 1.00 0.00 C ATOM 423 CD GLN A 90 0.440 6.135 -10.244 1.00 0.00 C ATOM 424 OE1 GLN A 90 -0.636 6.476 -10.736 1.00 0.00 O ATOM 425 NE2 GLN A 90 1.568 6.801 -10.459 1.00 0.00 N ATOM 0 H GLN A 90 0.570 5.819 -5.474 1.00 0.00 H new ATOM 0 HA GLN A 90 1.349 3.592 -6.949 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -0.590 4.914 -7.523 1.00 0.00 H new ATOM 0 HB3 GLN A 90 0.384 6.352 -7.762 1.00 0.00 H new ATOM 0 HG2 GLN A 90 1.499 4.430 -9.499 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -0.234 4.199 -9.626 1.00 0.00 H new ATOM 0 HE21 GLN A 90 2.438 6.483 -10.031 1.00 0.00 H new ATOM 0 HE22 GLN A 90 1.565 7.631 -11.052 1.00 0.00 H new ATOM 434 N LYS A 91 3.238 6.265 -7.432 1.00 0.00 N ATOM 435 CA LYS A 91 4.530 6.715 -7.925 1.00 0.00 C ATOM 436 C LYS A 91 5.644 5.898 -7.283 1.00 0.00 C ATOM 437 O LYS A 91 6.548 5.417 -7.966 1.00 0.00 O ATOM 438 CB LYS A 91 4.717 8.203 -7.628 1.00 0.00 C ATOM 439 CG LYS A 91 5.710 8.892 -8.548 1.00 0.00 C ATOM 440 CD LYS A 91 7.146 8.610 -8.140 1.00 0.00 C ATOM 441 CE LYS A 91 8.125 9.355 -9.030 1.00 0.00 C ATOM 442 NZ LYS A 91 7.681 10.752 -9.292 1.00 0.00 N ATOM 0 H LYS A 91 2.676 6.995 -6.995 1.00 0.00 H new ATOM 0 HA LYS A 91 4.569 6.571 -9.005 1.00 0.00 H new ATOM 0 HB2 LYS A 91 3.752 8.704 -7.709 1.00 0.00 H new ATOM 0 HB3 LYS A 91 5.050 8.319 -6.597 1.00 0.00 H new ATOM 0 HG2 LYS A 91 5.550 8.556 -9.572 1.00 0.00 H new ATOM 0 HG3 LYS A 91 5.533 9.967 -8.534 1.00 0.00 H new ATOM 0 HD2 LYS A 91 7.297 8.905 -7.102 1.00 0.00 H new ATOM 0 HD3 LYS A 91 7.340 7.539 -8.198 1.00 0.00 H new ATOM 0 HE2 LYS A 91 9.108 9.368 -8.558 1.00 0.00 H new ATOM 0 HE3 LYS A 91 8.233 8.824 -9.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 8.479 11.306 -9.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 6.910 10.746 -9.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 7.344 11.181 -8.407 1.00 0.00 H new ATOM 456 N SER A 92 5.570 5.739 -5.963 1.00 0.00 N ATOM 457 CA SER A 92 6.565 4.958 -5.238 1.00 0.00 C ATOM 458 C SER A 92 6.689 3.575 -5.861 1.00 0.00 C ATOM 459 O SER A 92 7.782 3.140 -6.215 1.00 0.00 O ATOM 460 CB SER A 92 6.191 4.840 -3.759 1.00 0.00 C ATOM 461 OG SER A 92 6.655 5.958 -3.022 1.00 0.00 O ATOM 0 H SER A 92 4.836 6.138 -5.379 1.00 0.00 H new ATOM 0 HA SER A 92 7.525 5.469 -5.306 1.00 0.00 H new ATOM 0 HB2 SER A 92 5.108 4.760 -3.660 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.617 3.926 -3.345 1.00 0.00 H new ATOM 0 HG SER A 92 6.401 5.858 -2.081 1.00 0.00 H new ATOM 467 N ILE A 93 5.555 2.893 -6.003 1.00 0.00 N ATOM 468 CA ILE A 93 5.536 1.566 -6.604 1.00 0.00 C ATOM 469 C ILE A 93 6.227 1.592 -7.963 1.00 0.00 C ATOM 470 O ILE A 93 7.165 0.834 -8.211 1.00 0.00 O ATOM 471 CB ILE A 93 4.091 1.050 -6.786 1.00 0.00 C ATOM 472 CG1 ILE A 93 3.377 0.967 -5.436 1.00 0.00 C ATOM 473 CG2 ILE A 93 4.088 -0.311 -7.471 1.00 0.00 C ATOM 474 CD1 ILE A 93 1.944 0.491 -5.540 1.00 0.00 C ATOM 0 H ILE A 93 4.641 3.238 -5.710 1.00 0.00 H new ATOM 0 HA ILE A 93 6.066 0.894 -5.929 1.00 0.00 H new ATOM 0 HB ILE A 93 3.554 1.756 -7.420 1.00 0.00 H new ATOM 0 HG12 ILE A 93 3.929 0.292 -4.783 1.00 0.00 H new ATOM 0 HG13 ILE A 93 3.392 1.950 -4.965 1.00 0.00 H new ATOM 0 HG21 ILE A 93 3.061 -0.656 -7.590 1.00 0.00 H new ATOM 0 HG22 ILE A 93 4.558 -0.226 -8.451 1.00 0.00 H new ATOM 0 HG23 ILE A 93 4.643 -1.025 -6.863 1.00 0.00 H new ATOM 0 HD11 ILE A 93 1.499 0.456 -4.546 1.00 0.00 H new ATOM 0 HD12 ILE A 93 1.377 1.179 -6.167 1.00 0.00 H new ATOM 0 HD13 ILE A 93 1.923 -0.505 -5.982 1.00 0.00 H new ATOM 486 N SER A 94 5.755 2.475 -8.839 1.00 0.00 N ATOM 487 CA SER A 94 6.318 2.609 -10.176 1.00 0.00 C ATOM 488 C SER A 94 7.837 2.731 -10.121 1.00 0.00 C ATOM 489 O SER A 94 8.549 2.090 -10.893 1.00 0.00 O ATOM 490 CB SER A 94 5.722 3.826 -10.884 1.00 0.00 C ATOM 491 OG SER A 94 6.236 3.953 -12.199 1.00 0.00 O ATOM 0 H SER A 94 4.981 3.110 -8.644 1.00 0.00 H new ATOM 0 HA SER A 94 6.066 1.710 -10.739 1.00 0.00 H new ATOM 0 HB2 SER A 94 4.637 3.733 -10.922 1.00 0.00 H new ATOM 0 HB3 SER A 94 5.945 4.728 -10.314 1.00 0.00 H new ATOM 0 HG SER A 94 5.838 4.738 -12.631 1.00 0.00 H new ATOM 497 N GLN A 95 8.328 3.563 -9.207 1.00 0.00 N ATOM 498 CA GLN A 95 9.764 3.754 -9.056 1.00 0.00 C ATOM 499 C GLN A 95 10.429 2.437 -8.677 1.00 0.00 C ATOM 500 O GLN A 95 11.495 2.096 -9.189 1.00 0.00 O ATOM 501 CB GLN A 95 10.057 4.811 -7.992 1.00 0.00 C ATOM 502 CG GLN A 95 11.445 5.425 -8.117 1.00 0.00 C ATOM 503 CD GLN A 95 11.627 6.287 -9.358 1.00 0.00 C ATOM 504 OE1 GLN A 95 12.706 6.309 -9.951 1.00 0.00 O ATOM 505 NE2 GLN A 95 10.591 7.027 -9.745 1.00 0.00 N ATOM 0 H GLN A 95 7.756 4.111 -8.565 1.00 0.00 H new ATOM 0 HA GLN A 95 10.169 4.098 -10.008 1.00 0.00 H new ATOM 0 HB2 GLN A 95 9.310 5.602 -8.061 1.00 0.00 H new ATOM 0 HB3 GLN A 95 9.954 4.361 -7.005 1.00 0.00 H new ATOM 0 HG2 GLN A 95 11.645 6.031 -7.233 1.00 0.00 H new ATOM 0 HG3 GLN A 95 12.186 4.625 -8.130 1.00 0.00 H new ATOM 0 HE21 GLN A 95 9.712 6.983 -9.229 1.00 0.00 H new ATOM 0 HE22 GLN A 95 10.676 7.638 -10.557 1.00 0.00 H new ATOM 514 N LYS A 96 9.790 1.704 -7.770 1.00 0.00 N ATOM 515 CA LYS A 96 10.304 0.414 -7.336 1.00 0.00 C ATOM 516 C LYS A 96 10.149 -0.610 -8.452 1.00 0.00 C ATOM 517 O LYS A 96 10.958 -1.527 -8.590 1.00 0.00 O ATOM 518 CB LYS A 96 9.553 -0.087 -6.098 1.00 0.00 C ATOM 519 CG LYS A 96 9.530 0.893 -4.937 1.00 0.00 C ATOM 520 CD LYS A 96 9.402 0.166 -3.608 1.00 0.00 C ATOM 521 CE LYS A 96 10.767 -0.173 -3.029 1.00 0.00 C ATOM 522 NZ LYS A 96 11.716 -0.654 -4.072 1.00 0.00 N ATOM 0 H LYS A 96 8.917 1.983 -7.323 1.00 0.00 H new ATOM 0 HA LYS A 96 11.358 0.540 -7.087 1.00 0.00 H new ATOM 0 HB2 LYS A 96 8.526 -0.320 -6.381 1.00 0.00 H new ATOM 0 HB3 LYS A 96 10.011 -1.018 -5.763 1.00 0.00 H new ATOM 0 HG2 LYS A 96 10.443 1.489 -4.942 1.00 0.00 H new ATOM 0 HG3 LYS A 96 8.697 1.585 -5.058 1.00 0.00 H new ATOM 0 HD2 LYS A 96 8.850 0.787 -2.903 1.00 0.00 H new ATOM 0 HD3 LYS A 96 8.826 -0.749 -3.746 1.00 0.00 H new ATOM 0 HE2 LYS A 96 11.182 0.709 -2.541 1.00 0.00 H new ATOM 0 HE3 LYS A 96 10.654 -0.939 -2.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 12.643 -0.841 -3.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 11.350 -1.530 -4.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 11.819 0.072 -4.809 1.00 0.00 H new ATOM 536 N LYS A 97 9.100 -0.434 -9.251 1.00 0.00 N ATOM 537 CA LYS A 97 8.804 -1.351 -10.342 1.00 0.00 C ATOM 538 C LYS A 97 8.624 -2.757 -9.787 1.00 0.00 C ATOM 539 O LYS A 97 9.477 -3.626 -9.971 1.00 0.00 O ATOM 540 CB LYS A 97 9.914 -1.334 -11.396 1.00 0.00 C ATOM 541 CG LYS A 97 9.464 -1.836 -12.760 1.00 0.00 C ATOM 542 CD LYS A 97 9.070 -0.685 -13.675 1.00 0.00 C ATOM 543 CE LYS A 97 8.231 -1.160 -14.853 1.00 0.00 C ATOM 544 NZ LYS A 97 8.984 -2.085 -15.744 1.00 0.00 N ATOM 0 H LYS A 97 8.440 0.339 -9.161 1.00 0.00 H new ATOM 0 HA LYS A 97 7.882 -1.029 -10.826 1.00 0.00 H new ATOM 0 HB2 LYS A 97 10.291 -0.316 -11.499 1.00 0.00 H new ATOM 0 HB3 LYS A 97 10.744 -1.948 -11.048 1.00 0.00 H new ATOM 0 HG2 LYS A 97 10.268 -2.410 -13.221 1.00 0.00 H new ATOM 0 HG3 LYS A 97 8.618 -2.512 -12.639 1.00 0.00 H new ATOM 0 HD2 LYS A 97 8.510 0.056 -13.105 1.00 0.00 H new ATOM 0 HD3 LYS A 97 9.968 -0.191 -14.045 1.00 0.00 H new ATOM 0 HE2 LYS A 97 7.338 -1.663 -14.481 1.00 0.00 H new ATOM 0 HE3 LYS A 97 7.895 -0.298 -15.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 8.373 -2.382 -16.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 9.822 -1.598 -16.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 9.283 -2.921 -15.203 1.00 0.00 H new ATOM 558 N VAL A 98 7.513 -2.964 -9.088 1.00 0.00 N ATOM 559 CA VAL A 98 7.215 -4.254 -8.483 1.00 0.00 C ATOM 560 C VAL A 98 5.824 -4.741 -8.876 1.00 0.00 C ATOM 561 O VAL A 98 5.035 -3.996 -9.456 1.00 0.00 O ATOM 562 CB VAL A 98 7.307 -4.175 -6.948 1.00 0.00 C ATOM 563 CG1 VAL A 98 8.738 -3.902 -6.513 1.00 0.00 C ATOM 564 CG2 VAL A 98 6.369 -3.104 -6.413 1.00 0.00 C ATOM 0 H VAL A 98 6.802 -2.250 -8.927 1.00 0.00 H new ATOM 0 HA VAL A 98 7.956 -4.962 -8.854 1.00 0.00 H new ATOM 0 HB VAL A 98 7.001 -5.136 -6.534 1.00 0.00 H new ATOM 0 HG11 VAL A 98 8.784 -3.849 -5.425 1.00 0.00 H new ATOM 0 HG12 VAL A 98 9.385 -4.706 -6.865 1.00 0.00 H new ATOM 0 HG13 VAL A 98 9.073 -2.955 -6.936 1.00 0.00 H new ATOM 0 HG21 VAL A 98 6.447 -3.062 -5.327 1.00 0.00 H new ATOM 0 HG22 VAL A 98 6.643 -2.137 -6.834 1.00 0.00 H new ATOM 0 HG23 VAL A 98 5.344 -3.345 -6.694 1.00 0.00 H new ATOM 574 N LYS A 99 5.532 -5.997 -8.552 1.00 0.00 N ATOM 575 CA LYS A 99 4.239 -6.587 -8.876 1.00 0.00 C ATOM 576 C LYS A 99 3.204 -6.289 -7.798 1.00 0.00 C ATOM 577 O LYS A 99 2.814 -7.171 -7.033 1.00 0.00 O ATOM 578 CB LYS A 99 4.380 -8.098 -9.066 1.00 0.00 C ATOM 579 CG LYS A 99 5.132 -8.478 -10.331 1.00 0.00 C ATOM 580 CD LYS A 99 4.178 -8.861 -11.450 1.00 0.00 C ATOM 581 CE LYS A 99 4.204 -10.358 -11.714 1.00 0.00 C ATOM 582 NZ LYS A 99 3.981 -11.147 -10.472 1.00 0.00 N ATOM 0 H LYS A 99 6.173 -6.624 -8.066 1.00 0.00 H new ATOM 0 HA LYS A 99 3.892 -6.139 -9.807 1.00 0.00 H new ATOM 0 HB2 LYS A 99 4.898 -8.519 -8.204 1.00 0.00 H new ATOM 0 HB3 LYS A 99 3.388 -8.548 -9.093 1.00 0.00 H new ATOM 0 HG2 LYS A 99 5.754 -7.642 -10.651 1.00 0.00 H new ATOM 0 HG3 LYS A 99 5.802 -9.312 -10.121 1.00 0.00 H new ATOM 0 HD2 LYS A 99 3.166 -8.554 -11.188 1.00 0.00 H new ATOM 0 HD3 LYS A 99 4.448 -8.325 -12.360 1.00 0.00 H new ATOM 0 HE2 LYS A 99 3.437 -10.610 -12.446 1.00 0.00 H new ATOM 0 HE3 LYS A 99 5.164 -10.633 -12.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 4.222 -12.144 -10.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 4.583 -10.773 -9.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 2.982 -11.076 -10.190 1.00 0.00 H new ATOM 596 N ILE A 100 2.769 -5.036 -7.739 1.00 0.00 N ATOM 597 CA ILE A 100 1.770 -4.616 -6.767 1.00 0.00 C ATOM 598 C ILE A 100 0.813 -3.606 -7.389 1.00 0.00 C ATOM 599 O ILE A 100 1.163 -2.440 -7.580 1.00 0.00 O ATOM 600 CB ILE A 100 2.417 -4.008 -5.501 1.00 0.00 C ATOM 601 CG1 ILE A 100 3.269 -5.057 -4.784 1.00 0.00 C ATOM 602 CG2 ILE A 100 1.354 -3.457 -4.556 1.00 0.00 C ATOM 603 CD1 ILE A 100 3.844 -4.573 -3.471 1.00 0.00 C ATOM 0 H ILE A 100 3.095 -4.292 -8.356 1.00 0.00 H new ATOM 0 HA ILE A 100 1.217 -5.507 -6.469 1.00 0.00 H new ATOM 0 HB ILE A 100 3.059 -3.183 -5.811 1.00 0.00 H new ATOM 0 HG12 ILE A 100 2.662 -5.943 -4.601 1.00 0.00 H new ATOM 0 HG13 ILE A 100 4.086 -5.360 -5.439 1.00 0.00 H new ATOM 0 HG21 ILE A 100 1.835 -3.035 -3.674 1.00 0.00 H new ATOM 0 HG22 ILE A 100 0.783 -2.680 -5.064 1.00 0.00 H new ATOM 0 HG23 ILE A 100 0.683 -4.261 -4.254 1.00 0.00 H new ATOM 0 HD11 ILE A 100 4.436 -5.368 -3.018 1.00 0.00 H new ATOM 0 HD12 ILE A 100 4.478 -3.705 -3.650 1.00 0.00 H new ATOM 0 HD13 ILE A 100 3.032 -4.297 -2.798 1.00 0.00 H new ATOM 615 N GLU A 101 -0.390 -4.063 -7.715 1.00 0.00 N ATOM 616 CA GLU A 101 -1.396 -3.195 -8.312 1.00 0.00 C ATOM 617 C GLU A 101 -2.653 -3.162 -7.454 1.00 0.00 C ATOM 618 O GLU A 101 -2.736 -3.841 -6.428 1.00 0.00 O ATOM 619 CB GLU A 101 -1.740 -3.656 -9.730 1.00 0.00 C ATOM 620 CG GLU A 101 -2.471 -4.986 -9.785 1.00 0.00 C ATOM 621 CD GLU A 101 -1.560 -6.141 -10.155 1.00 0.00 C ATOM 622 OE1 GLU A 101 -0.408 -5.880 -10.561 1.00 0.00 O ATOM 623 OE2 GLU A 101 -2.002 -7.303 -10.044 1.00 0.00 O ATOM 0 H GLU A 101 -0.692 -5.027 -7.576 1.00 0.00 H new ATOM 0 HA GLU A 101 -0.982 -2.188 -8.366 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -2.355 -2.895 -10.210 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -0.820 -3.734 -10.309 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -2.928 -5.185 -8.815 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -3.281 -4.921 -10.511 1.00 0.00 H new ATOM 630 N LEU A 102 -3.632 -2.379 -7.880 1.00 0.00 N ATOM 631 CA LEU A 102 -4.874 -2.251 -7.137 1.00 0.00 C ATOM 632 C LEU A 102 -5.942 -3.221 -7.629 1.00 0.00 C ATOM 633 O LEU A 102 -6.051 -3.499 -8.823 1.00 0.00 O ATOM 634 CB LEU A 102 -5.414 -0.824 -7.233 1.00 0.00 C ATOM 635 CG LEU A 102 -6.769 -0.626 -6.557 1.00 0.00 C ATOM 636 CD1 LEU A 102 -6.642 0.219 -5.306 1.00 0.00 C ATOM 637 CD2 LEU A 102 -7.775 -0.025 -7.518 1.00 0.00 C ATOM 0 H LEU A 102 -3.590 -1.824 -8.735 1.00 0.00 H new ATOM 0 HA LEU A 102 -4.644 -2.493 -6.099 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -4.692 -0.142 -6.783 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -5.500 -0.549 -8.284 1.00 0.00 H new ATOM 0 HG LEU A 102 -7.135 -1.608 -6.258 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -7.624 0.341 -4.848 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -5.972 -0.273 -4.601 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -6.239 1.197 -5.567 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -8.731 0.105 -7.010 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -7.414 0.943 -7.865 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -7.905 -0.690 -8.371 1.00 0.00 H new ATOM 649 N ASP A 103 -6.717 -3.741 -6.685 1.00 0.00 N ATOM 650 CA ASP A 103 -7.816 -4.642 -6.991 1.00 0.00 C ATOM 651 C ASP A 103 -9.034 -3.817 -7.390 1.00 0.00 C ATOM 652 O ASP A 103 -9.416 -2.887 -6.680 1.00 0.00 O ATOM 653 CB ASP A 103 -8.150 -5.487 -5.764 1.00 0.00 C ATOM 654 CG ASP A 103 -9.441 -6.275 -5.916 1.00 0.00 C ATOM 655 OD1 ASP A 103 -9.408 -7.364 -6.526 1.00 0.00 O ATOM 656 OD2 ASP A 103 -10.486 -5.796 -5.427 1.00 0.00 O ATOM 0 H ASP A 103 -6.600 -3.550 -5.690 1.00 0.00 H new ATOM 0 HA ASP A 103 -7.531 -5.303 -7.810 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -7.330 -6.179 -5.572 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -8.229 -4.837 -4.893 1.00 0.00 H new ATOM 661 N LYS A 104 -9.645 -4.152 -8.517 1.00 0.00 N ATOM 662 CA LYS A 104 -10.813 -3.417 -8.985 1.00 0.00 C ATOM 663 C LYS A 104 -12.109 -4.015 -8.448 1.00 0.00 C ATOM 664 O LYS A 104 -13.154 -3.367 -8.475 1.00 0.00 O ATOM 665 CB LYS A 104 -10.846 -3.385 -10.508 1.00 0.00 C ATOM 666 CG LYS A 104 -9.807 -2.458 -11.116 1.00 0.00 C ATOM 667 CD LYS A 104 -9.996 -2.326 -12.617 1.00 0.00 C ATOM 668 CE LYS A 104 -9.859 -3.669 -13.317 1.00 0.00 C ATOM 669 NZ LYS A 104 -10.376 -3.623 -14.711 1.00 0.00 N ATOM 0 H LYS A 104 -9.355 -4.921 -9.121 1.00 0.00 H new ATOM 0 HA LYS A 104 -10.732 -2.398 -8.605 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -10.688 -4.394 -10.888 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -11.837 -3.072 -10.836 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -9.877 -1.475 -10.651 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -8.808 -2.840 -10.905 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -10.980 -1.905 -12.825 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -9.260 -1.629 -13.017 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -8.811 -3.967 -13.328 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -10.401 -4.429 -12.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -10.265 -4.558 -15.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -11.383 -3.363 -14.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -9.842 -2.916 -15.256 1.00 0.00 H new ATOM 683 N SER A 105 -12.039 -5.246 -7.945 1.00 0.00 N ATOM 684 CA SER A 105 -13.218 -5.907 -7.397 1.00 0.00 C ATOM 685 C SER A 105 -13.406 -5.557 -5.920 1.00 0.00 C ATOM 686 O SER A 105 -14.121 -6.252 -5.198 1.00 0.00 O ATOM 687 CB SER A 105 -13.103 -7.425 -7.556 1.00 0.00 C ATOM 688 OG SER A 105 -12.455 -8.008 -6.439 1.00 0.00 O ATOM 0 H SER A 105 -11.184 -5.801 -7.906 1.00 0.00 H new ATOM 0 HA SER A 105 -14.087 -5.553 -7.952 1.00 0.00 H new ATOM 0 HB2 SER A 105 -14.097 -7.858 -7.670 1.00 0.00 H new ATOM 0 HB3 SER A 105 -12.548 -7.657 -8.465 1.00 0.00 H new ATOM 0 HG SER A 105 -11.491 -7.844 -6.498 1.00 0.00 H new ATOM 694 N ALA A 106 -12.762 -4.479 -5.475 1.00 0.00 N ATOM 695 CA ALA A 106 -12.855 -4.046 -4.092 1.00 0.00 C ATOM 696 C ALA A 106 -14.037 -3.110 -3.879 1.00 0.00 C ATOM 697 O ALA A 106 -14.730 -2.729 -4.824 1.00 0.00 O ATOM 698 CB ALA A 106 -11.563 -3.362 -3.671 1.00 0.00 C ATOM 0 H ALA A 106 -12.169 -3.891 -6.060 1.00 0.00 H new ATOM 0 HA ALA A 106 -13.013 -4.930 -3.474 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -11.643 -3.041 -2.632 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -10.732 -4.060 -3.772 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -11.387 -2.494 -4.306 1.00 0.00 H new ATOM 704 N ARG A 107 -14.253 -2.748 -2.624 1.00 0.00 N ATOM 705 CA ARG A 107 -15.338 -1.849 -2.252 1.00 0.00 C ATOM 706 C ARG A 107 -14.841 -0.725 -1.342 1.00 0.00 C ATOM 707 O ARG A 107 -15.624 0.120 -0.907 1.00 0.00 O ATOM 708 CB ARG A 107 -16.460 -2.631 -1.559 1.00 0.00 C ATOM 709 CG ARG A 107 -15.970 -3.730 -0.626 1.00 0.00 C ATOM 710 CD ARG A 107 -16.477 -5.096 -1.065 1.00 0.00 C ATOM 711 NE ARG A 107 -16.053 -6.163 -0.160 1.00 0.00 N ATOM 712 CZ ARG A 107 -14.927 -6.861 -0.301 1.00 0.00 C ATOM 713 NH1 ARG A 107 -14.082 -6.589 -1.288 1.00 0.00 N ATOM 714 NH2 ARG A 107 -14.640 -7.831 0.557 1.00 0.00 N ATOM 0 H ARG A 107 -13.686 -3.066 -1.838 1.00 0.00 H new ATOM 0 HA ARG A 107 -15.727 -1.397 -3.165 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -17.075 -1.934 -0.990 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -17.102 -3.075 -2.320 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -14.880 -3.734 -0.606 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -16.307 -3.524 0.390 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -17.566 -5.078 -1.116 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -16.114 -5.310 -2.070 1.00 0.00 H new ATOM 0 HE ARG A 107 -16.658 -6.387 0.630 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -14.292 -5.840 -1.947 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -13.223 -7.129 -1.387 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -15.281 -8.041 1.322 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -13.779 -8.367 0.451 1.00 0.00 H new ATOM 728 N HIS A 108 -13.536 -0.707 -1.064 1.00 0.00 N ATOM 729 CA HIS A 108 -12.955 0.308 -0.201 1.00 0.00 C ATOM 730 C HIS A 108 -11.511 0.591 -0.597 1.00 0.00 C ATOM 731 O HIS A 108 -10.894 -0.182 -1.330 1.00 0.00 O ATOM 732 CB HIS A 108 -13.005 -0.151 1.257 1.00 0.00 C ATOM 733 CG HIS A 108 -12.181 -1.375 1.526 1.00 0.00 C ATOM 734 ND1 HIS A 108 -10.853 -1.322 1.892 1.00 0.00 N ATOM 735 CD2 HIS A 108 -12.502 -2.690 1.476 1.00 0.00 C ATOM 736 CE1 HIS A 108 -10.391 -2.550 2.051 1.00 0.00 C ATOM 737 NE2 HIS A 108 -11.373 -3.398 1.806 1.00 0.00 N ATOM 0 H HIS A 108 -12.867 -1.386 -1.427 1.00 0.00 H new ATOM 0 HA HIS A 108 -13.535 1.224 -0.313 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -12.657 0.660 1.897 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -14.041 -0.352 1.531 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -13.467 -3.104 1.223 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -9.383 -2.815 2.333 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -11.304 -4.415 1.854 1.00 0.00 H new ATOM 746 N LEU A 109 -10.981 1.704 -0.109 1.00 0.00 N ATOM 747 CA LEU A 109 -9.606 2.085 -0.395 1.00 0.00 C ATOM 748 C LEU A 109 -8.815 2.199 0.902 1.00 0.00 C ATOM 749 O LEU A 109 -8.496 3.298 1.357 1.00 0.00 O ATOM 750 CB LEU A 109 -9.561 3.411 -1.157 1.00 0.00 C ATOM 751 CG LEU A 109 -10.275 3.408 -2.509 1.00 0.00 C ATOM 752 CD1 LEU A 109 -10.220 4.791 -3.141 1.00 0.00 C ATOM 753 CD2 LEU A 109 -9.658 2.373 -3.439 1.00 0.00 C ATOM 0 H LEU A 109 -11.484 2.360 0.488 1.00 0.00 H new ATOM 0 HA LEU A 109 -9.156 1.313 -1.019 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -10.004 4.186 -0.532 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -8.518 3.686 -1.315 1.00 0.00 H new ATOM 0 HG LEU A 109 -11.319 3.143 -2.346 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -10.733 4.772 -4.103 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -10.708 5.511 -2.484 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -9.180 5.082 -3.290 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -10.180 2.386 -4.396 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -8.605 2.607 -3.597 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -9.746 1.383 -2.991 1.00 0.00 H new ATOM 765 N TYR A 110 -8.517 1.053 1.500 1.00 0.00 N ATOM 766 CA TYR A 110 -7.767 1.007 2.747 1.00 0.00 C ATOM 767 C TYR A 110 -6.737 -0.112 2.706 1.00 0.00 C ATOM 768 O TYR A 110 -7.087 -1.292 2.691 1.00 0.00 O ATOM 769 CB TYR A 110 -8.708 0.801 3.936 1.00 0.00 C ATOM 770 CG TYR A 110 -9.541 2.016 4.275 1.00 0.00 C ATOM 771 CD1 TYR A 110 -8.994 3.085 4.974 1.00 0.00 C ATOM 772 CD2 TYR A 110 -10.877 2.091 3.900 1.00 0.00 C ATOM 773 CE1 TYR A 110 -9.754 4.194 5.289 1.00 0.00 C ATOM 774 CE2 TYR A 110 -11.643 3.198 4.211 1.00 0.00 C ATOM 775 CZ TYR A 110 -11.078 4.246 4.906 1.00 0.00 C ATOM 776 OH TYR A 110 -11.838 5.350 5.218 1.00 0.00 O ATOM 0 H TYR A 110 -8.785 0.138 1.138 1.00 0.00 H new ATOM 0 HA TYR A 110 -7.252 1.960 2.868 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -9.373 -0.035 3.720 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -8.119 0.521 4.809 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -7.958 3.048 5.276 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -11.324 1.271 3.357 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -9.314 5.017 5.833 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -12.680 3.242 3.911 1.00 0.00 H new ATOM 0 HH TYR A 110 -12.748 5.228 4.875 1.00 0.00 H new ATOM 786 N ILE A 111 -5.467 0.266 2.682 1.00 0.00 N ATOM 787 CA ILE A 111 -4.387 -0.706 2.643 1.00 0.00 C ATOM 788 C ILE A 111 -3.986 -1.131 4.049 1.00 0.00 C ATOM 789 O ILE A 111 -4.468 -0.579 5.038 1.00 0.00 O ATOM 790 CB ILE A 111 -3.150 -0.145 1.917 1.00 0.00 C ATOM 791 CG1 ILE A 111 -2.652 1.123 2.616 1.00 0.00 C ATOM 792 CG2 ILE A 111 -3.475 0.139 0.459 1.00 0.00 C ATOM 793 CD1 ILE A 111 -1.409 1.712 1.987 1.00 0.00 C ATOM 0 H ILE A 111 -5.160 1.239 2.689 1.00 0.00 H new ATOM 0 HA ILE A 111 -4.758 -1.571 2.093 1.00 0.00 H new ATOM 0 HB ILE A 111 -2.356 -0.891 1.953 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -3.445 1.871 2.603 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -2.447 0.895 3.662 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -2.591 0.535 -0.040 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -3.786 -0.784 -0.031 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -4.282 0.870 0.402 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -1.114 2.607 2.534 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -0.601 0.981 2.024 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -1.615 1.972 0.949 1.00 0.00 H new ATOM 805 N CYS A 112 -3.107 -2.120 4.129 1.00 0.00 N ATOM 806 CA CYS A 112 -2.635 -2.616 5.413 1.00 0.00 C ATOM 807 C CYS A 112 -1.397 -1.850 5.862 1.00 0.00 C ATOM 808 O CYS A 112 -0.775 -1.141 5.071 1.00 0.00 O ATOM 809 CB CYS A 112 -2.324 -4.110 5.323 1.00 0.00 C ATOM 810 SG CYS A 112 -1.253 -4.556 3.937 1.00 0.00 S ATOM 0 H CYS A 112 -2.707 -2.594 3.320 1.00 0.00 H new ATOM 0 HA CYS A 112 -3.423 -2.464 6.150 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -1.851 -4.429 6.252 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -3.261 -4.661 5.237 1.00 0.00 H new ATOM 0 HG CYS A 112 -1.939 -4.532 2.833 1.00 0.00 H new ATOM 815 N ASP A 113 -1.051 -1.989 7.134 1.00 0.00 N ATOM 816 CA ASP A 113 0.116 -1.313 7.684 1.00 0.00 C ATOM 817 C ASP A 113 1.380 -1.770 6.967 1.00 0.00 C ATOM 818 O ASP A 113 2.277 -0.973 6.689 1.00 0.00 O ATOM 819 CB ASP A 113 0.230 -1.599 9.183 1.00 0.00 C ATOM 820 CG ASP A 113 0.450 -0.340 9.999 1.00 0.00 C ATOM 821 OD1 ASP A 113 -0.164 0.696 9.666 1.00 0.00 O ATOM 822 OD2 ASP A 113 1.227 -0.391 10.973 1.00 0.00 O ATOM 0 H ASP A 113 -1.561 -2.564 7.805 1.00 0.00 H new ATOM 0 HA ASP A 113 -0.000 -0.239 7.536 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -0.678 -2.096 9.525 1.00 0.00 H new ATOM 0 HB3 ASP A 113 1.056 -2.289 9.356 1.00 0.00 H new ATOM 827 N TYR A 114 1.432 -3.061 6.660 1.00 0.00 N ATOM 828 CA TYR A 114 2.579 -3.647 5.978 1.00 0.00 C ATOM 829 C TYR A 114 2.962 -2.837 4.743 1.00 0.00 C ATOM 830 O TYR A 114 4.050 -2.270 4.680 1.00 0.00 O ATOM 831 CB TYR A 114 2.256 -5.087 5.574 1.00 0.00 C ATOM 832 CG TYR A 114 3.398 -5.813 4.897 1.00 0.00 C ATOM 833 CD1 TYR A 114 4.491 -6.263 5.628 1.00 0.00 C ATOM 834 CD2 TYR A 114 3.378 -6.058 3.529 1.00 0.00 C ATOM 835 CE1 TYR A 114 5.532 -6.934 5.015 1.00 0.00 C ATOM 836 CE2 TYR A 114 4.414 -6.730 2.909 1.00 0.00 C ATOM 837 CZ TYR A 114 5.489 -7.165 3.656 1.00 0.00 C ATOM 838 OH TYR A 114 6.523 -7.836 3.044 1.00 0.00 O ATOM 0 H TYR A 114 0.688 -3.725 6.874 1.00 0.00 H new ATOM 0 HA TYR A 114 3.426 -3.638 6.664 1.00 0.00 H new ATOM 0 HB2 TYR A 114 1.962 -5.645 6.463 1.00 0.00 H new ATOM 0 HB3 TYR A 114 1.397 -5.080 4.904 1.00 0.00 H new ATOM 0 HD1 TYR A 114 4.527 -6.085 6.693 1.00 0.00 H new ATOM 0 HD2 TYR A 114 2.539 -5.717 2.941 1.00 0.00 H new ATOM 0 HE1 TYR A 114 6.375 -7.276 5.597 1.00 0.00 H new ATOM 0 HE2 TYR A 114 4.382 -6.914 1.845 1.00 0.00 H new ATOM 0 HH TYR A 114 6.338 -7.917 2.085 1.00 0.00 H new ATOM 848 N HIS A 115 2.051 -2.763 3.778 1.00 0.00 N ATOM 849 CA HIS A 115 2.310 -2.034 2.541 1.00 0.00 C ATOM 850 C HIS A 115 2.492 -0.540 2.792 1.00 0.00 C ATOM 851 O HIS A 115 3.173 0.142 2.025 1.00 0.00 O ATOM 852 CB HIS A 115 1.177 -2.267 1.538 1.00 0.00 C ATOM 853 CG HIS A 115 1.293 -3.568 0.801 1.00 0.00 C ATOM 854 ND1 HIS A 115 0.217 -4.410 0.653 1.00 0.00 N ATOM 855 CD2 HIS A 115 2.370 -4.116 0.186 1.00 0.00 C ATOM 856 CE1 HIS A 115 0.658 -5.443 -0.043 1.00 0.00 C ATOM 857 NE2 HIS A 115 1.958 -5.309 -0.348 1.00 0.00 N ATOM 0 H HIS A 115 1.129 -3.197 3.828 1.00 0.00 H new ATOM 0 HA HIS A 115 3.242 -2.416 2.124 1.00 0.00 H new ATOM 0 HB2 HIS A 115 0.223 -2.240 2.065 1.00 0.00 H new ATOM 0 HB3 HIS A 115 1.166 -1.449 0.817 1.00 0.00 H new ATOM 0 HD1 HIS A 115 -0.729 -4.267 1.008 1.00 0.00 H new ATOM 0 HD2 HIS A 115 3.362 -3.693 0.128 1.00 0.00 H new ATOM 0 HE1 HIS A 115 0.050 -6.288 -0.330 1.00 0.00 H new ATOM 865 N LYS A 116 1.891 -0.029 3.861 1.00 0.00 N ATOM 866 CA LYS A 116 2.009 1.390 4.180 1.00 0.00 C ATOM 867 C LYS A 116 3.442 1.744 4.557 1.00 0.00 C ATOM 868 O LYS A 116 4.049 2.625 3.957 1.00 0.00 O ATOM 869 CB LYS A 116 1.072 1.769 5.330 1.00 0.00 C ATOM 870 CG LYS A 116 1.089 3.256 5.652 1.00 0.00 C ATOM 871 CD LYS A 116 0.430 3.555 6.990 1.00 0.00 C ATOM 872 CE LYS A 116 1.258 3.031 8.152 1.00 0.00 C ATOM 873 NZ LYS A 116 2.711 3.295 7.965 1.00 0.00 N ATOM 0 H LYS A 116 1.323 -0.568 4.515 1.00 0.00 H new ATOM 0 HA LYS A 116 1.726 1.952 3.290 1.00 0.00 H new ATOM 0 HB2 LYS A 116 0.055 1.471 5.075 1.00 0.00 H new ATOM 0 HB3 LYS A 116 1.355 1.208 6.221 1.00 0.00 H new ATOM 0 HG2 LYS A 116 2.119 3.612 5.667 1.00 0.00 H new ATOM 0 HG3 LYS A 116 0.574 3.804 4.863 1.00 0.00 H new ATOM 0 HD2 LYS A 116 0.293 4.631 7.096 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -0.562 3.103 7.017 1.00 0.00 H new ATOM 0 HE2 LYS A 116 0.921 3.498 9.077 1.00 0.00 H new ATOM 0 HE3 LYS A 116 1.095 1.959 8.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 3.194 3.243 8.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 3.113 2.584 7.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 2.842 4.243 7.558 1.00 0.00 H new ATOM 887 N ASN A 117 3.982 1.030 5.538 1.00 0.00 N ATOM 888 CA ASN A 117 5.340 1.273 6.010 1.00 0.00 C ATOM 889 C ASN A 117 6.370 0.818 4.980 1.00 0.00 C ATOM 890 O ASN A 117 7.476 1.354 4.910 1.00 0.00 O ATOM 891 CB ASN A 117 5.565 0.538 7.334 1.00 0.00 C ATOM 892 CG ASN A 117 6.796 1.023 8.073 1.00 0.00 C ATOM 893 OD1 ASN A 117 7.890 0.482 7.910 1.00 0.00 O ATOM 894 ND2 ASN A 117 6.622 2.051 8.898 1.00 0.00 N ATOM 0 H ASN A 117 3.498 0.275 6.024 1.00 0.00 H new ATOM 0 HA ASN A 117 5.464 2.345 6.162 1.00 0.00 H new ATOM 0 HB2 ASN A 117 4.690 0.669 7.970 1.00 0.00 H new ATOM 0 HB3 ASN A 117 5.661 -0.530 7.140 1.00 0.00 H new ATOM 0 HD21 ASN A 117 7.413 2.421 9.426 1.00 0.00 H new ATOM 0 HD22 ASN A 117 5.698 2.470 9.003 1.00 0.00 H new ATOM 901 N LEU A 118 5.992 -0.166 4.174 1.00 0.00 N ATOM 902 CA LEU A 118 6.880 -0.713 3.155 1.00 0.00 C ATOM 903 C LEU A 118 7.036 0.241 1.970 1.00 0.00 C ATOM 904 O LEU A 118 8.145 0.461 1.484 1.00 0.00 O ATOM 905 CB LEU A 118 6.330 -2.061 2.671 1.00 0.00 C ATOM 906 CG LEU A 118 7.363 -3.055 2.137 1.00 0.00 C ATOM 907 CD1 LEU A 118 6.723 -4.422 1.936 1.00 0.00 C ATOM 908 CD2 LEU A 118 7.970 -2.556 0.836 1.00 0.00 C ATOM 0 H LEU A 118 5.071 -0.604 4.207 1.00 0.00 H new ATOM 0 HA LEU A 118 7.865 -0.850 3.601 1.00 0.00 H new ATOM 0 HB2 LEU A 118 5.797 -2.531 3.497 1.00 0.00 H new ATOM 0 HB3 LEU A 118 5.598 -1.871 1.886 1.00 0.00 H new ATOM 0 HG LEU A 118 8.163 -3.147 2.871 1.00 0.00 H new ATOM 0 HD11 LEU A 118 7.468 -5.120 1.556 1.00 0.00 H new ATOM 0 HD12 LEU A 118 6.337 -4.786 2.888 1.00 0.00 H new ATOM 0 HD13 LEU A 118 5.905 -4.339 1.220 1.00 0.00 H new ATOM 0 HD21 LEU A 118 8.702 -3.279 0.475 1.00 0.00 H new ATOM 0 HD22 LEU A 118 7.184 -2.433 0.091 1.00 0.00 H new ATOM 0 HD23 LEU A 118 8.461 -1.598 1.007 1.00 0.00 H new ATOM 920 N ILE A 119 5.926 0.821 1.526 1.00 0.00 N ATOM 921 CA ILE A 119 5.934 1.721 0.374 1.00 0.00 C ATOM 922 C ILE A 119 6.302 3.163 0.736 1.00 0.00 C ATOM 923 O ILE A 119 6.983 3.842 -0.032 1.00 0.00 O ATOM 924 CB ILE A 119 4.561 1.703 -0.330 1.00 0.00 C ATOM 925 CG1 ILE A 119 4.239 0.283 -0.791 1.00 0.00 C ATOM 926 CG2 ILE A 119 4.535 2.670 -1.507 1.00 0.00 C ATOM 927 CD1 ILE A 119 2.858 0.133 -1.392 1.00 0.00 C ATOM 0 H ILE A 119 5.007 0.685 1.946 1.00 0.00 H new ATOM 0 HA ILE A 119 6.708 1.350 -0.297 1.00 0.00 H new ATOM 0 HB ILE A 119 3.801 2.028 0.380 1.00 0.00 H new ATOM 0 HG12 ILE A 119 4.981 -0.027 -1.527 1.00 0.00 H new ATOM 0 HG13 ILE A 119 4.331 -0.394 0.058 1.00 0.00 H new ATOM 0 HG21 ILE A 119 3.556 2.636 -1.984 1.00 0.00 H new ATOM 0 HG22 ILE A 119 4.731 3.682 -1.151 1.00 0.00 H new ATOM 0 HG23 ILE A 119 5.300 2.385 -2.229 1.00 0.00 H new ATOM 0 HD11 ILE A 119 2.704 -0.903 -1.695 1.00 0.00 H new ATOM 0 HD12 ILE A 119 2.107 0.410 -0.652 1.00 0.00 H new ATOM 0 HD13 ILE A 119 2.767 0.783 -2.262 1.00 0.00 H new ATOM 939 N GLN A 120 5.854 3.629 1.894 1.00 0.00 N ATOM 940 CA GLN A 120 6.129 5.003 2.317 1.00 0.00 C ATOM 941 C GLN A 120 7.610 5.256 2.597 1.00 0.00 C ATOM 942 O GLN A 120 8.116 6.347 2.339 1.00 0.00 O ATOM 943 CB GLN A 120 5.347 5.342 3.589 1.00 0.00 C ATOM 944 CG GLN A 120 4.014 6.011 3.342 1.00 0.00 C ATOM 945 CD GLN A 120 3.468 6.669 4.595 1.00 0.00 C ATOM 946 OE1 GLN A 120 3.636 6.162 5.704 1.00 0.00 O ATOM 947 NE2 GLN A 120 2.836 7.819 4.426 1.00 0.00 N ATOM 0 H GLN A 120 5.302 3.083 2.556 1.00 0.00 H new ATOM 0 HA GLN A 120 5.819 5.636 1.486 1.00 0.00 H new ATOM 0 HB2 GLN A 120 5.180 4.425 4.154 1.00 0.00 H new ATOM 0 HB3 GLN A 120 5.957 5.995 4.213 1.00 0.00 H new ATOM 0 HG2 GLN A 120 4.124 6.760 2.558 1.00 0.00 H new ATOM 0 HG3 GLN A 120 3.299 5.272 2.979 1.00 0.00 H new ATOM 0 HE21 GLN A 120 2.719 8.204 3.489 1.00 0.00 H new ATOM 0 HE22 GLN A 120 2.466 8.321 5.233 1.00 0.00 H new ATOM 956 N SER A 121 8.299 4.247 3.112 1.00 0.00 N ATOM 957 CA SER A 121 9.692 4.390 3.503 1.00 0.00 C ATOM 958 C SER A 121 10.698 4.251 2.355 1.00 0.00 C ATOM 959 O SER A 121 11.766 3.670 2.540 1.00 0.00 O ATOM 960 CB SER A 121 9.990 3.368 4.586 1.00 0.00 C ATOM 961 OG SER A 121 9.307 3.689 5.786 1.00 0.00 O ATOM 0 H SER A 121 7.912 3.316 3.269 1.00 0.00 H new ATOM 0 HA SER A 121 9.817 5.411 3.864 1.00 0.00 H new ATOM 0 HB2 SER A 121 9.692 2.376 4.247 1.00 0.00 H new ATOM 0 HB3 SER A 121 11.063 3.332 4.772 1.00 0.00 H new ATOM 0 HG SER A 121 8.550 3.078 5.905 1.00 0.00 H new