USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 609 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 Single : A 12 CYS SG : rot -100:sc= -1.39 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 39:sc= -0.338 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 130:sc= -1 USER MOD Single : A 36 MET CE :methyl -130:sc= -3.09! (180deg=-4.82!) USER MOD Single : A 37 THR OG1 : rot -136:sc= -0.687 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.339 X(o=-0.34,f=-0.34) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 HIS : no HD1:sc= -0.0246 X(o=-0.025,f=0) USER MOD Single : A 60 ASN : amide:sc= -6.42! K(o=-6.4!,f=-2.9) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HD1:sc= -5.51! C(o=-5.5!,f=-5!) USER MOD Single : A 75 LYS NZ :NH3+ -134:sc= -0.63 (180deg=-3.17) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot -88:sc= -0.352 USER MOD Single : A 81 SER OG : rot 180:sc= -0.0631 USER MOD Single : A 84 MET CE :methyl -171:sc= 0 (180deg=-0.0827) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 83 N PRO A 9 -0.440 -8.578 -12.272 1.00 0.00 N ATOM 84 CA PRO A 9 -0.698 -7.562 -11.248 1.00 0.00 C ATOM 85 C PRO A 9 -0.371 -6.154 -11.733 1.00 0.00 C ATOM 86 O PRO A 9 -0.093 -5.943 -12.914 1.00 0.00 O ATOM 87 CB PRO A 9 0.237 -7.964 -10.105 1.00 0.00 C ATOM 88 CG PRO A 9 1.339 -8.719 -10.765 1.00 0.00 C ATOM 89 CD PRO A 9 0.712 -9.430 -11.933 1.00 0.00 C ATOM 0 HA PRO A 9 -1.750 -7.528 -10.964 1.00 0.00 H new ATOM 0 HB2 PRO A 9 0.617 -7.089 -9.578 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.280 -8.580 -9.369 1.00 0.00 H new ATOM 0 HG2 PRO A 9 2.129 -8.046 -11.097 1.00 0.00 H new ATOM 0 HG3 PRO A 9 1.794 -9.429 -10.074 1.00 0.00 H new ATOM 0 HD2 PRO A 9 1.406 -9.519 -12.769 1.00 0.00 H new ATOM 0 HD3 PRO A 9 0.401 -10.440 -11.668 1.00 0.00 H new ATOM 97 N ARG A 10 -0.406 -5.194 -10.815 1.00 0.00 N ATOM 98 CA ARG A 10 -0.114 -3.805 -11.150 1.00 0.00 C ATOM 99 C ARG A 10 1.163 -3.336 -10.459 1.00 0.00 C ATOM 100 O ARG A 10 1.456 -3.740 -9.333 1.00 0.00 O ATOM 101 CB ARG A 10 -1.284 -2.905 -10.750 1.00 0.00 C ATOM 102 CG ARG A 10 -1.781 -3.145 -9.334 1.00 0.00 C ATOM 103 CD ARG A 10 -2.960 -2.246 -8.997 1.00 0.00 C ATOM 104 NE ARG A 10 -4.129 -2.544 -9.821 1.00 0.00 N ATOM 105 CZ ARG A 10 -4.327 -2.027 -11.028 1.00 0.00 C ATOM 106 NH1 ARG A 10 -3.440 -1.191 -11.550 1.00 0.00 N ATOM 107 NH2 ARG A 10 -5.416 -2.346 -11.717 1.00 0.00 N ATOM 0 H ARG A 10 -0.634 -5.352 -9.833 1.00 0.00 H new ATOM 0 HA ARG A 10 0.033 -3.740 -12.228 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -0.979 -1.863 -10.847 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.107 -3.063 -11.447 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -2.075 -4.189 -9.222 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -0.971 -2.964 -8.627 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -3.218 -2.366 -7.945 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -2.673 -1.204 -9.138 1.00 0.00 H new ATOM 0 HE ARG A 10 -4.831 -3.184 -9.449 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -2.602 -0.943 -11.024 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -3.596 -0.796 -12.477 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -6.101 -2.988 -11.319 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -5.568 -1.949 -12.644 1.00 0.00 H new ATOM 121 N LEU A 11 1.919 -2.482 -11.140 1.00 0.00 N ATOM 122 CA LEU A 11 3.165 -1.958 -10.592 1.00 0.00 C ATOM 123 C LEU A 11 3.001 -0.504 -10.161 1.00 0.00 C ATOM 124 O LEU A 11 2.984 0.403 -10.994 1.00 0.00 O ATOM 125 CB LEU A 11 4.287 -2.072 -11.625 1.00 0.00 C ATOM 126 CG LEU A 11 5.710 -1.896 -11.092 1.00 0.00 C ATOM 127 CD1 LEU A 11 5.868 -0.535 -10.432 1.00 0.00 C ATOM 128 CD2 LEU A 11 6.054 -3.009 -10.114 1.00 0.00 C ATOM 0 H LEU A 11 1.691 -2.138 -12.073 1.00 0.00 H new ATOM 0 HA LEU A 11 3.425 -2.551 -9.715 1.00 0.00 H new ATOM 0 HB2 LEU A 11 4.217 -3.050 -12.101 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.116 -1.326 -12.401 1.00 0.00 H new ATOM 0 HG LEU A 11 6.402 -1.952 -11.932 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.886 -0.428 -10.059 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.664 0.249 -11.161 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.167 -0.449 -9.602 1.00 0.00 H new ATOM 0 HD21 LEU A 11 7.070 -2.868 -9.745 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.357 -2.986 -9.276 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.982 -3.972 -10.619 1.00 0.00 H new ATOM 140 N CYS A 12 2.883 -0.289 -8.855 1.00 0.00 N ATOM 141 CA CYS A 12 2.722 1.055 -8.313 1.00 0.00 C ATOM 142 C CYS A 12 4.073 1.656 -7.937 1.00 0.00 C ATOM 143 O CYS A 12 4.608 1.381 -6.863 1.00 0.00 O ATOM 144 CB CYS A 12 1.804 1.028 -7.090 1.00 0.00 C ATOM 145 SG CYS A 12 0.211 0.224 -7.380 1.00 0.00 S ATOM 0 H CYS A 12 2.896 -1.028 -8.152 1.00 0.00 H new ATOM 0 HA CYS A 12 2.270 1.679 -9.084 1.00 0.00 H new ATOM 0 HB2 CYS A 12 2.316 0.514 -6.276 1.00 0.00 H new ATOM 0 HB3 CYS A 12 1.627 2.051 -6.759 1.00 0.00 H new ATOM 0 HG CYS A 12 -0.702 1.128 -7.578 1.00 0.00 H new ATOM 151 N TYR A 13 4.619 2.474 -8.829 1.00 0.00 N ATOM 152 CA TYR A 13 5.910 3.110 -8.593 1.00 0.00 C ATOM 153 C TYR A 13 5.756 4.341 -7.706 1.00 0.00 C ATOM 154 O TYR A 13 5.388 5.419 -8.176 1.00 0.00 O ATOM 155 CB TYR A 13 6.559 3.503 -9.922 1.00 0.00 C ATOM 156 CG TYR A 13 8.067 3.399 -9.913 1.00 0.00 C ATOM 157 CD1 TYR A 13 8.697 2.163 -9.835 1.00 0.00 C ATOM 158 CD2 TYR A 13 8.862 4.537 -9.982 1.00 0.00 C ATOM 159 CE1 TYR A 13 10.075 2.063 -9.826 1.00 0.00 C ATOM 160 CE2 TYR A 13 10.240 4.446 -9.975 1.00 0.00 C ATOM 161 CZ TYR A 13 10.842 3.208 -9.896 1.00 0.00 C ATOM 162 OH TYR A 13 12.215 3.113 -9.888 1.00 0.00 O ATOM 0 H TYR A 13 4.188 2.713 -9.722 1.00 0.00 H new ATOM 0 HA TYR A 13 6.552 2.393 -8.081 1.00 0.00 H new ATOM 0 HB2 TYR A 13 6.164 2.865 -10.712 1.00 0.00 H new ATOM 0 HB3 TYR A 13 6.275 4.527 -10.167 1.00 0.00 H new ATOM 0 HD1 TYR A 13 8.099 1.265 -9.780 1.00 0.00 H new ATOM 0 HD2 TYR A 13 8.394 5.509 -10.042 1.00 0.00 H new ATOM 0 HE1 TYR A 13 10.549 1.095 -9.765 1.00 0.00 H new ATOM 0 HE2 TYR A 13 10.843 5.340 -10.031 1.00 0.00 H new ATOM 0 HH TYR A 13 12.605 4.010 -9.944 1.00 0.00 H new ATOM 172 N LEU A 14 6.042 4.174 -6.419 1.00 0.00 N ATOM 173 CA LEU A 14 5.937 5.270 -5.463 1.00 0.00 C ATOM 174 C LEU A 14 7.213 6.107 -5.452 1.00 0.00 C ATOM 175 O LEU A 14 8.316 5.577 -5.585 1.00 0.00 O ATOM 176 CB LEU A 14 5.658 4.726 -4.061 1.00 0.00 C ATOM 177 CG LEU A 14 4.185 4.573 -3.681 1.00 0.00 C ATOM 178 CD1 LEU A 14 3.559 5.933 -3.415 1.00 0.00 C ATOM 179 CD2 LEU A 14 3.425 3.840 -4.777 1.00 0.00 C ATOM 0 H LEU A 14 6.348 3.289 -6.014 1.00 0.00 H new ATOM 0 HA LEU A 14 5.108 5.908 -5.769 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.139 3.752 -3.968 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.133 5.387 -3.336 1.00 0.00 H new ATOM 0 HG LEU A 14 4.125 3.982 -2.767 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.511 5.805 -3.146 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.086 6.422 -2.596 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.631 6.548 -4.312 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.378 3.740 -4.490 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.494 4.404 -5.707 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.858 2.850 -4.920 1.00 0.00 H new ATOM 191 N VAL A 15 7.055 7.416 -5.289 1.00 0.00 N ATOM 192 CA VAL A 15 8.194 8.326 -5.256 1.00 0.00 C ATOM 193 C VAL A 15 7.989 9.426 -4.221 1.00 0.00 C ATOM 194 O VAL A 15 7.086 10.254 -4.348 1.00 0.00 O ATOM 195 CB VAL A 15 8.436 8.971 -6.634 1.00 0.00 C ATOM 196 CG1 VAL A 15 9.776 9.691 -6.658 1.00 0.00 C ATOM 197 CG2 VAL A 15 8.367 7.921 -7.733 1.00 0.00 C ATOM 0 H VAL A 15 6.149 7.871 -5.178 1.00 0.00 H new ATOM 0 HA VAL A 15 9.066 7.732 -4.982 1.00 0.00 H new ATOM 0 HB VAL A 15 7.652 9.706 -6.815 1.00 0.00 H new ATOM 0 HG11 VAL A 15 9.930 10.140 -7.639 1.00 0.00 H new ATOM 0 HG12 VAL A 15 9.784 10.471 -5.896 1.00 0.00 H new ATOM 0 HG13 VAL A 15 10.576 8.978 -6.456 1.00 0.00 H new ATOM 0 HG21 VAL A 15 8.540 8.394 -8.700 1.00 0.00 H new ATOM 0 HG22 VAL A 15 9.129 7.162 -7.559 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.382 7.454 -7.729 1.00 0.00 H new ATOM 207 N LYS A 16 8.833 9.430 -3.195 1.00 0.00 N ATOM 208 CA LYS A 16 8.748 10.430 -2.137 1.00 0.00 C ATOM 209 C LYS A 16 8.532 11.823 -2.721 1.00 0.00 C ATOM 210 O LYS A 16 9.450 12.417 -3.285 1.00 0.00 O ATOM 211 CB LYS A 16 10.020 10.413 -1.287 1.00 0.00 C ATOM 212 CG LYS A 16 9.971 9.419 -0.139 1.00 0.00 C ATOM 213 CD LYS A 16 11.198 9.533 0.750 1.00 0.00 C ATOM 214 CE LYS A 16 11.136 8.557 1.914 1.00 0.00 C ATOM 215 NZ LYS A 16 12.139 8.882 2.965 1.00 0.00 N ATOM 0 H LYS A 16 9.585 8.751 -3.074 1.00 0.00 H new ATOM 0 HA LYS A 16 7.894 10.183 -1.506 1.00 0.00 H new ATOM 0 HB2 LYS A 16 10.871 10.176 -1.926 1.00 0.00 H new ATOM 0 HB3 LYS A 16 10.192 11.411 -0.885 1.00 0.00 H new ATOM 0 HG2 LYS A 16 9.073 9.591 0.455 1.00 0.00 H new ATOM 0 HG3 LYS A 16 9.901 8.406 -0.536 1.00 0.00 H new ATOM 0 HD2 LYS A 16 12.095 9.341 0.161 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.279 10.551 1.131 1.00 0.00 H new ATOM 0 HE2 LYS A 16 10.137 8.573 2.349 1.00 0.00 H new ATOM 0 HE3 LYS A 16 11.308 7.545 1.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 12.064 8.193 3.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 13.095 8.842 2.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 11.959 9.838 3.332 1.00 0.00 H new ATOM 229 N GLU A 17 7.315 12.337 -2.578 1.00 0.00 N ATOM 230 CA GLU A 17 6.981 13.661 -3.091 1.00 0.00 C ATOM 231 C GLU A 17 6.755 14.646 -1.948 1.00 0.00 C ATOM 232 O GLU A 17 7.185 15.797 -2.013 1.00 0.00 O ATOM 233 CB GLU A 17 5.732 13.590 -3.973 1.00 0.00 C ATOM 234 CG GLU A 17 6.021 13.177 -5.406 1.00 0.00 C ATOM 235 CD GLU A 17 4.857 13.451 -6.338 1.00 0.00 C ATOM 236 OE1 GLU A 17 3.709 13.136 -5.963 1.00 0.00 O ATOM 237 OE2 GLU A 17 5.095 13.981 -7.444 1.00 0.00 O ATOM 0 H GLU A 17 6.545 11.858 -2.112 1.00 0.00 H new ATOM 0 HA GLU A 17 7.821 14.013 -3.690 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.028 12.882 -3.535 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.244 14.565 -3.976 1.00 0.00 H new ATOM 0 HG2 GLU A 17 6.901 13.711 -5.764 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.260 12.114 -5.433 1.00 0.00 H new ATOM 244 N GLY A 18 6.077 14.185 -0.902 1.00 0.00 N ATOM 245 CA GLY A 18 5.804 15.037 0.240 1.00 0.00 C ATOM 246 C GLY A 18 6.435 14.516 1.516 1.00 0.00 C ATOM 247 O GLY A 18 7.017 13.432 1.532 1.00 0.00 O ATOM 0 H GLY A 18 5.712 13.236 -0.825 1.00 0.00 H new ATOM 0 HA2 GLY A 18 6.177 16.041 0.038 1.00 0.00 H new ATOM 0 HA3 GLY A 18 4.726 15.119 0.379 1.00 0.00 H new ATOM 251 N GLY A 19 6.322 15.292 2.590 1.00 0.00 N ATOM 252 CA GLY A 19 6.892 14.886 3.862 1.00 0.00 C ATOM 253 C GLY A 19 6.813 13.388 4.081 1.00 0.00 C ATOM 254 O GLY A 19 7.681 12.802 4.727 1.00 0.00 O ATOM 0 H GLY A 19 5.846 16.194 2.602 1.00 0.00 H new ATOM 0 HA2 GLY A 19 7.934 15.202 3.907 1.00 0.00 H new ATOM 0 HA3 GLY A 19 6.369 15.396 4.671 1.00 0.00 H new ATOM 258 N SER A 20 5.767 12.768 3.544 1.00 0.00 N ATOM 259 CA SER A 20 5.575 11.330 3.689 1.00 0.00 C ATOM 260 C SER A 20 4.636 10.796 2.612 1.00 0.00 C ATOM 261 O SER A 20 3.771 11.517 2.113 1.00 0.00 O ATOM 262 CB SER A 20 5.014 11.006 5.076 1.00 0.00 C ATOM 263 OG SER A 20 3.810 11.713 5.317 1.00 0.00 O ATOM 0 H SER A 20 5.040 13.239 3.005 1.00 0.00 H new ATOM 0 HA SER A 20 6.545 10.846 3.574 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.833 9.934 5.157 1.00 0.00 H new ATOM 0 HB3 SER A 20 5.749 11.263 5.838 1.00 0.00 H new ATOM 0 HG SER A 20 3.471 11.488 6.208 1.00 0.00 H new ATOM 269 N TYR A 21 4.812 9.527 2.259 1.00 0.00 N ATOM 270 CA TYR A 21 3.983 8.896 1.239 1.00 0.00 C ATOM 271 C TYR A 21 2.501 9.103 1.537 1.00 0.00 C ATOM 272 O TYR A 21 2.133 9.606 2.597 1.00 0.00 O ATOM 273 CB TYR A 21 4.293 7.401 1.153 1.00 0.00 C ATOM 274 CG TYR A 21 5.651 7.097 0.560 1.00 0.00 C ATOM 275 CD1 TYR A 21 5.856 7.143 -0.813 1.00 0.00 C ATOM 276 CD2 TYR A 21 6.727 6.764 1.373 1.00 0.00 C ATOM 277 CE1 TYR A 21 7.095 6.866 -1.360 1.00 0.00 C ATOM 278 CE2 TYR A 21 7.969 6.487 0.836 1.00 0.00 C ATOM 279 CZ TYR A 21 8.148 6.539 -0.531 1.00 0.00 C ATOM 280 OH TYR A 21 9.383 6.262 -1.070 1.00 0.00 O ATOM 0 H TYR A 21 5.521 8.916 2.664 1.00 0.00 H new ATOM 0 HA TYR A 21 4.211 9.363 0.281 1.00 0.00 H new ATOM 0 HB2 TYR A 21 4.237 6.969 2.152 1.00 0.00 H new ATOM 0 HB3 TYR A 21 3.526 6.913 0.552 1.00 0.00 H new ATOM 0 HD1 TYR A 21 5.034 7.400 -1.464 1.00 0.00 H new ATOM 0 HD2 TYR A 21 6.590 6.721 2.443 1.00 0.00 H new ATOM 0 HE1 TYR A 21 7.238 6.905 -2.430 1.00 0.00 H new ATOM 0 HE2 TYR A 21 8.795 6.231 1.483 1.00 0.00 H new ATOM 0 HH TYR A 21 9.558 6.871 -1.818 1.00 0.00 H new ATOM 290 N GLY A 22 1.653 8.709 0.591 1.00 0.00 N ATOM 291 CA GLY A 22 0.220 8.858 0.770 1.00 0.00 C ATOM 292 C GLY A 22 -0.470 7.538 1.049 1.00 0.00 C ATOM 293 O GLY A 22 -1.617 7.332 0.652 1.00 0.00 O ATOM 0 H GLY A 22 1.933 8.290 -0.296 1.00 0.00 H new ATOM 0 HA2 GLY A 22 0.030 9.545 1.594 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.210 9.307 -0.125 1.00 0.00 H new ATOM 297 N PHE A 23 0.231 6.638 1.732 1.00 0.00 N ATOM 298 CA PHE A 23 -0.321 5.329 2.061 1.00 0.00 C ATOM 299 C PHE A 23 0.072 4.914 3.476 1.00 0.00 C ATOM 300 O PHE A 23 1.103 5.340 3.996 1.00 0.00 O ATOM 301 CB PHE A 23 0.164 4.281 1.057 1.00 0.00 C ATOM 302 CG PHE A 23 1.653 4.085 1.067 1.00 0.00 C ATOM 303 CD1 PHE A 23 2.244 3.208 1.963 1.00 0.00 C ATOM 304 CD2 PHE A 23 2.462 4.778 0.181 1.00 0.00 C ATOM 305 CE1 PHE A 23 3.614 3.025 1.974 1.00 0.00 C ATOM 306 CE2 PHE A 23 3.832 4.598 0.187 1.00 0.00 C ATOM 307 CZ PHE A 23 4.409 3.722 1.086 1.00 0.00 C ATOM 0 H PHE A 23 1.182 6.791 2.068 1.00 0.00 H new ATOM 0 HA PHE A 23 -1.408 5.396 2.009 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -0.321 3.329 1.274 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -0.149 4.577 0.056 1.00 0.00 H new ATOM 0 HD1 PHE A 23 1.627 2.661 2.661 1.00 0.00 H new ATOM 0 HD2 PHE A 23 2.017 5.466 -0.522 1.00 0.00 H new ATOM 0 HE1 PHE A 23 4.062 2.338 2.676 1.00 0.00 H new ATOM 0 HE2 PHE A 23 4.451 5.142 -0.511 1.00 0.00 H new ATOM 0 HZ PHE A 23 5.480 3.583 1.094 1.00 0.00 H new ATOM 317 N SER A 24 -0.760 4.081 4.094 1.00 0.00 N ATOM 318 CA SER A 24 -0.503 3.611 5.450 1.00 0.00 C ATOM 319 C SER A 24 -0.407 2.089 5.489 1.00 0.00 C ATOM 320 O SER A 24 -1.118 1.391 4.764 1.00 0.00 O ATOM 321 CB SER A 24 -1.608 4.087 6.395 1.00 0.00 C ATOM 322 OG SER A 24 -1.322 5.378 6.905 1.00 0.00 O ATOM 0 H SER A 24 -1.617 3.718 3.677 1.00 0.00 H new ATOM 0 HA SER A 24 0.450 4.026 5.777 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.561 4.104 5.866 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.714 3.382 7.220 1.00 0.00 H new ATOM 0 HG SER A 24 -2.044 5.660 7.505 1.00 0.00 H new ATOM 328 N LEU A 25 0.478 1.580 6.339 1.00 0.00 N ATOM 329 CA LEU A 25 0.670 0.140 6.473 1.00 0.00 C ATOM 330 C LEU A 25 0.106 -0.363 7.798 1.00 0.00 C ATOM 331 O LEU A 25 0.149 0.338 8.810 1.00 0.00 O ATOM 332 CB LEU A 25 2.156 -0.209 6.374 1.00 0.00 C ATOM 333 CG LEU A 25 2.874 0.269 5.111 1.00 0.00 C ATOM 334 CD1 LEU A 25 4.380 0.276 5.323 1.00 0.00 C ATOM 335 CD2 LEU A 25 2.505 -0.609 3.924 1.00 0.00 C ATOM 0 H LEU A 25 1.074 2.143 6.946 1.00 0.00 H new ATOM 0 HA LEU A 25 0.133 -0.350 5.660 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.666 0.213 7.240 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.260 -1.292 6.439 1.00 0.00 H new ATOM 0 HG LEU A 25 2.553 1.289 4.898 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.874 0.619 4.414 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.628 0.946 6.146 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.719 -0.732 5.562 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.025 -0.255 3.034 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.797 -1.639 4.129 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.429 -0.563 3.758 1.00 0.00 H new ATOM 347 N LYS A 26 -0.422 -1.582 7.786 1.00 0.00 N ATOM 348 CA LYS A 26 -0.992 -2.182 8.987 1.00 0.00 C ATOM 349 C LYS A 26 -0.837 -3.699 8.963 1.00 0.00 C ATOM 350 O LYS A 26 -0.666 -4.301 7.902 1.00 0.00 O ATOM 351 CB LYS A 26 -2.471 -1.812 9.114 1.00 0.00 C ATOM 352 CG LYS A 26 -3.299 -2.187 7.897 1.00 0.00 C ATOM 353 CD LYS A 26 -4.715 -1.647 7.998 1.00 0.00 C ATOM 354 CE LYS A 26 -5.644 -2.642 8.677 1.00 0.00 C ATOM 355 NZ LYS A 26 -6.738 -1.960 9.422 1.00 0.00 N ATOM 0 H LYS A 26 -0.467 -2.175 6.957 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.451 -1.793 9.849 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.886 -2.307 9.992 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -2.555 -0.739 9.283 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -2.823 -1.796 6.998 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.329 -3.272 7.796 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -4.710 -0.712 8.558 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -5.091 -1.419 7.000 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -6.074 -3.307 7.928 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -5.070 -3.264 9.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -7.349 -2.672 9.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -6.329 -1.345 10.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -7.301 -1.386 8.763 1.00 0.00 H new ATOM 369 N THR A 27 -0.899 -4.314 10.140 1.00 0.00 N ATOM 370 CA THR A 27 -0.766 -5.761 10.255 1.00 0.00 C ATOM 371 C THR A 27 -2.073 -6.400 10.709 1.00 0.00 C ATOM 372 O THR A 27 -2.861 -5.782 11.425 1.00 0.00 O ATOM 373 CB THR A 27 0.351 -6.146 11.243 1.00 0.00 C ATOM 374 OG1 THR A 27 0.031 -5.668 12.555 1.00 0.00 O ATOM 375 CG2 THR A 27 1.688 -5.571 10.801 1.00 0.00 C ATOM 0 H THR A 27 -1.041 -3.832 11.028 1.00 0.00 H new ATOM 0 HA THR A 27 -0.508 -6.134 9.264 1.00 0.00 H new ATOM 0 HB THR A 27 0.430 -7.233 11.261 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.745 -5.918 13.178 1.00 0.00 H new ATOM 0 HG21 THR A 27 2.461 -5.857 11.515 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.943 -5.960 9.815 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.620 -4.484 10.756 1.00 0.00 H new ATOM 383 N VAL A 28 -2.298 -7.640 10.288 1.00 0.00 N ATOM 384 CA VAL A 28 -3.510 -8.364 10.654 1.00 0.00 C ATOM 385 C VAL A 28 -3.178 -9.720 11.265 1.00 0.00 C ATOM 386 O VAL A 28 -2.418 -10.500 10.692 1.00 0.00 O ATOM 387 CB VAL A 28 -4.428 -8.573 9.435 1.00 0.00 C ATOM 388 CG1 VAL A 28 -5.668 -9.360 9.829 1.00 0.00 C ATOM 389 CG2 VAL A 28 -4.809 -7.235 8.819 1.00 0.00 C ATOM 0 H VAL A 28 -1.657 -8.165 9.693 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.031 -7.755 11.392 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.884 -9.149 8.687 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.304 -9.498 8.955 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.372 -10.334 10.219 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.218 -8.813 10.595 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -5.458 -7.402 7.959 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -5.335 -6.631 9.558 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.908 -6.713 8.498 1.00 0.00 H new ATOM 467 N GLY A 33 2.425 -11.112 6.123 1.00 0.00 N ATOM 468 CA GLY A 33 2.990 -9.831 5.741 1.00 0.00 C ATOM 469 C GLY A 33 2.049 -8.676 6.020 1.00 0.00 C ATOM 470 O GLY A 33 1.292 -8.702 6.991 1.00 0.00 O ATOM 0 HA2 GLY A 33 3.924 -9.674 6.281 1.00 0.00 H new ATOM 0 HA3 GLY A 33 3.235 -9.848 4.679 1.00 0.00 H new ATOM 474 N VAL A 34 2.095 -7.657 5.167 1.00 0.00 N ATOM 475 CA VAL A 34 1.241 -6.487 5.326 1.00 0.00 C ATOM 476 C VAL A 34 0.644 -6.056 3.990 1.00 0.00 C ATOM 477 O VAL A 34 0.871 -6.695 2.963 1.00 0.00 O ATOM 478 CB VAL A 34 2.017 -5.304 5.934 1.00 0.00 C ATOM 479 CG1 VAL A 34 2.351 -5.578 7.393 1.00 0.00 C ATOM 480 CG2 VAL A 34 3.279 -5.026 5.132 1.00 0.00 C ATOM 0 H VAL A 34 2.715 -7.619 4.358 1.00 0.00 H new ATOM 0 HA VAL A 34 0.437 -6.772 6.005 1.00 0.00 H new ATOM 0 HB VAL A 34 1.385 -4.417 5.891 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.899 -4.731 7.806 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.429 -5.723 7.956 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.964 -6.476 7.463 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.815 -4.187 5.576 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.917 -5.909 5.140 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.011 -4.782 4.104 1.00 0.00 H new ATOM 490 N TYR A 35 -0.118 -4.969 4.013 1.00 0.00 N ATOM 491 CA TYR A 35 -0.750 -4.454 2.804 1.00 0.00 C ATOM 492 C TYR A 35 -1.074 -2.970 2.949 1.00 0.00 C ATOM 493 O TYR A 35 -1.036 -2.420 4.049 1.00 0.00 O ATOM 494 CB TYR A 35 -2.026 -5.238 2.495 1.00 0.00 C ATOM 495 CG TYR A 35 -3.037 -5.216 3.620 1.00 0.00 C ATOM 496 CD1 TYR A 35 -3.602 -4.022 4.049 1.00 0.00 C ATOM 497 CD2 TYR A 35 -3.427 -6.391 4.251 1.00 0.00 C ATOM 498 CE1 TYR A 35 -4.525 -3.998 5.076 1.00 0.00 C ATOM 499 CE2 TYR A 35 -4.351 -6.376 5.279 1.00 0.00 C ATOM 500 CZ TYR A 35 -4.897 -5.177 5.688 1.00 0.00 C ATOM 501 OH TYR A 35 -5.817 -5.157 6.711 1.00 0.00 O ATOM 0 H TYR A 35 -0.313 -4.427 4.855 1.00 0.00 H new ATOM 0 HA TYR A 35 -0.049 -4.576 1.978 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -2.486 -4.828 1.596 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -1.763 -6.272 2.274 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -3.315 -3.097 3.571 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -3.001 -7.331 3.933 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -4.954 -3.061 5.398 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -4.644 -7.298 5.759 1.00 0.00 H new ATOM 0 HH TYR A 35 -6.517 -5.820 6.535 1.00 0.00 H new ATOM 511 N MET A 36 -1.393 -2.328 1.829 1.00 0.00 N ATOM 512 CA MET A 36 -1.726 -0.909 1.831 1.00 0.00 C ATOM 513 C MET A 36 -3.091 -0.671 2.469 1.00 0.00 C ATOM 514 O MET A 36 -4.016 -1.466 2.297 1.00 0.00 O ATOM 515 CB MET A 36 -1.715 -0.359 0.403 1.00 0.00 C ATOM 516 CG MET A 36 -0.360 -0.462 -0.277 1.00 0.00 C ATOM 517 SD MET A 36 0.799 0.798 0.289 1.00 0.00 S ATOM 518 CE MET A 36 2.299 0.274 -0.538 1.00 0.00 C ATOM 0 H MET A 36 -1.428 -2.768 0.910 1.00 0.00 H new ATOM 0 HA MET A 36 -0.973 -0.386 2.421 1.00 0.00 H new ATOM 0 HB2 MET A 36 -2.453 -0.899 -0.191 1.00 0.00 H new ATOM 0 HB3 MET A 36 -2.024 0.686 0.422 1.00 0.00 H new ATOM 0 HG2 MET A 36 0.062 -1.449 -0.089 1.00 0.00 H new ATOM 0 HG3 MET A 36 -0.491 -0.371 -1.355 1.00 0.00 H new ATOM 0 HE1 MET A 36 3.115 0.226 0.184 1.00 0.00 H new ATOM 0 HE2 MET A 36 2.146 -0.711 -0.979 1.00 0.00 H new ATOM 0 HE3 MET A 36 2.550 0.988 -1.323 1.00 0.00 H new ATOM 528 N THR A 37 -3.211 0.428 3.208 1.00 0.00 N ATOM 529 CA THR A 37 -4.462 0.769 3.873 1.00 0.00 C ATOM 530 C THR A 37 -4.599 2.277 4.046 1.00 0.00 C ATOM 531 O THR A 37 -3.619 3.015 3.942 1.00 0.00 O ATOM 532 CB THR A 37 -4.566 0.094 5.254 1.00 0.00 C ATOM 533 OG1 THR A 37 -5.872 0.302 5.803 1.00 0.00 O ATOM 534 CG2 THR A 37 -3.516 0.644 6.206 1.00 0.00 C ATOM 0 H THR A 37 -2.456 1.097 3.361 1.00 0.00 H new ATOM 0 HA THR A 37 -5.268 0.404 3.237 1.00 0.00 H new ATOM 0 HB THR A 37 -4.392 -0.974 5.126 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.794 0.544 6.750 1.00 0.00 H new ATOM 0 HG21 THR A 37 -3.609 0.152 7.174 1.00 0.00 H new ATOM 0 HG22 THR A 37 -2.522 0.458 5.799 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.662 1.717 6.329 1.00 0.00 H new ATOM 542 N ASP A 38 -5.820 2.729 4.311 1.00 0.00 N ATOM 543 CA ASP A 38 -6.085 4.150 4.500 1.00 0.00 C ATOM 544 C ASP A 38 -5.363 4.983 3.446 1.00 0.00 C ATOM 545 O ASP A 38 -4.768 6.015 3.756 1.00 0.00 O ATOM 546 CB ASP A 38 -5.652 4.590 5.900 1.00 0.00 C ATOM 547 CG ASP A 38 -6.488 5.736 6.432 1.00 0.00 C ATOM 548 OD1 ASP A 38 -6.575 6.777 5.746 1.00 0.00 O ATOM 549 OD2 ASP A 38 -7.057 5.594 7.534 1.00 0.00 O ATOM 0 H ASP A 38 -6.642 2.131 4.400 1.00 0.00 H new ATOM 0 HA ASP A 38 -7.158 4.311 4.392 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -5.726 3.743 6.583 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -4.604 4.890 5.875 1.00 0.00 H new ATOM 554 N ILE A 39 -5.420 4.527 2.199 1.00 0.00 N ATOM 555 CA ILE A 39 -4.772 5.230 1.099 1.00 0.00 C ATOM 556 C ILE A 39 -5.201 6.693 1.052 1.00 0.00 C ATOM 557 O ILE A 39 -6.375 7.001 0.844 1.00 0.00 O ATOM 558 CB ILE A 39 -5.089 4.570 -0.256 1.00 0.00 C ATOM 559 CG1 ILE A 39 -4.529 3.147 -0.299 1.00 0.00 C ATOM 560 CG2 ILE A 39 -4.522 5.403 -1.396 1.00 0.00 C ATOM 561 CD1 ILE A 39 -3.041 3.075 -0.039 1.00 0.00 C ATOM 0 H ILE A 39 -5.908 3.674 1.926 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.698 5.174 1.279 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.171 4.517 -0.373 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.049 2.538 0.441 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -4.740 2.711 -1.276 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.754 4.924 -2.347 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -4.964 6.399 -1.374 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.441 5.484 -1.285 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.713 2.036 -0.085 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.511 3.656 -0.794 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.824 3.480 0.949 1.00 0.00 H new ATOM 573 N THR A 40 -4.241 7.592 1.246 1.00 0.00 N ATOM 574 CA THR A 40 -4.518 9.023 1.225 1.00 0.00 C ATOM 575 C THR A 40 -5.096 9.451 -0.119 1.00 0.00 C ATOM 576 O THR A 40 -4.634 9.034 -1.181 1.00 0.00 O ATOM 577 CB THR A 40 -3.248 9.845 1.512 1.00 0.00 C ATOM 578 OG1 THR A 40 -2.668 9.435 2.755 1.00 0.00 O ATOM 579 CG2 THR A 40 -3.566 11.332 1.561 1.00 0.00 C ATOM 0 H THR A 40 -3.264 7.354 1.420 1.00 0.00 H new ATOM 0 HA THR A 40 -5.250 9.215 2.009 1.00 0.00 H new ATOM 0 HB THR A 40 -2.537 9.667 0.705 1.00 0.00 H new ATOM 0 HG1 THR A 40 -1.860 9.962 2.929 1.00 0.00 H new ATOM 0 HG21 THR A 40 -2.654 11.893 1.765 1.00 0.00 H new ATOM 0 HG22 THR A 40 -3.979 11.647 0.603 1.00 0.00 H new ATOM 0 HG23 THR A 40 -4.293 11.523 2.350 1.00 0.00 H new ATOM 587 N PRO A 41 -6.129 10.305 -0.074 1.00 0.00 N ATOM 588 CA PRO A 41 -6.791 10.810 -1.281 1.00 0.00 C ATOM 589 C PRO A 41 -5.906 11.770 -2.069 1.00 0.00 C ATOM 590 O PRO A 41 -5.233 12.623 -1.492 1.00 0.00 O ATOM 591 CB PRO A 41 -8.018 11.543 -0.732 1.00 0.00 C ATOM 592 CG PRO A 41 -7.637 11.933 0.654 1.00 0.00 C ATOM 593 CD PRO A 41 -6.731 10.844 1.157 1.00 0.00 C ATOM 0 HA PRO A 41 -7.033 10.008 -1.979 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -8.261 12.417 -1.337 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -8.898 10.899 -0.735 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -7.129 12.898 0.662 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -8.518 12.031 1.288 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -5.974 11.234 1.837 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -7.285 10.079 1.701 1.00 0.00 H new ATOM 601 N GLN A 42 -5.912 11.623 -3.390 1.00 0.00 N ATOM 602 CA GLN A 42 -5.109 12.478 -4.257 1.00 0.00 C ATOM 603 C GLN A 42 -3.689 12.620 -3.717 1.00 0.00 C ATOM 604 O GLN A 42 -3.196 13.730 -3.525 1.00 0.00 O ATOM 605 CB GLN A 42 -5.757 13.857 -4.391 1.00 0.00 C ATOM 606 CG GLN A 42 -6.822 13.925 -5.473 1.00 0.00 C ATOM 607 CD GLN A 42 -6.286 13.563 -6.844 1.00 0.00 C ATOM 608 OE1 GLN A 42 -6.687 12.560 -7.434 1.00 0.00 O ATOM 609 NE2 GLN A 42 -5.376 14.381 -7.359 1.00 0.00 N ATOM 0 H GLN A 42 -6.463 10.921 -3.883 1.00 0.00 H new ATOM 0 HA GLN A 42 -5.059 12.011 -5.241 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -6.203 14.134 -3.436 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -4.983 14.594 -4.607 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -7.638 13.250 -5.217 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -7.239 14.932 -5.504 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -5.073 15.201 -6.834 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -4.980 14.189 -8.279 1.00 0.00 H new ATOM 618 N GLY A 43 -3.038 11.487 -3.474 1.00 0.00 N ATOM 619 CA GLY A 43 -1.681 11.507 -2.958 1.00 0.00 C ATOM 620 C GLY A 43 -0.737 10.648 -3.774 1.00 0.00 C ATOM 621 O GLY A 43 -1.153 9.987 -4.726 1.00 0.00 O ATOM 0 H GLY A 43 -3.425 10.556 -3.625 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.315 12.534 -2.947 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.683 11.158 -1.925 1.00 0.00 H new ATOM 625 N VAL A 44 0.540 10.657 -3.404 1.00 0.00 N ATOM 626 CA VAL A 44 1.546 9.873 -4.109 1.00 0.00 C ATOM 627 C VAL A 44 1.065 8.446 -4.345 1.00 0.00 C ATOM 628 O VAL A 44 1.416 7.818 -5.344 1.00 0.00 O ATOM 629 CB VAL A 44 2.874 9.833 -3.330 1.00 0.00 C ATOM 630 CG1 VAL A 44 3.935 9.084 -4.121 1.00 0.00 C ATOM 631 CG2 VAL A 44 3.340 11.242 -2.999 1.00 0.00 C ATOM 0 H VAL A 44 0.902 11.199 -2.619 1.00 0.00 H new ATOM 0 HA VAL A 44 1.711 10.361 -5.070 1.00 0.00 H new ATOM 0 HB VAL A 44 2.710 9.300 -2.394 1.00 0.00 H new ATOM 0 HG11 VAL A 44 4.866 9.066 -3.555 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.601 8.062 -4.302 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.100 9.586 -5.074 1.00 0.00 H new ATOM 0 HG21 VAL A 44 4.280 11.195 -2.449 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.488 11.803 -3.922 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.587 11.740 -2.389 1.00 0.00 H new ATOM 641 N ALA A 45 0.257 7.938 -3.419 1.00 0.00 N ATOM 642 CA ALA A 45 -0.275 6.586 -3.528 1.00 0.00 C ATOM 643 C ALA A 45 -1.444 6.533 -4.506 1.00 0.00 C ATOM 644 O ALA A 45 -1.371 5.869 -5.539 1.00 0.00 O ATOM 645 CB ALA A 45 -0.705 6.077 -2.160 1.00 0.00 C ATOM 0 H ALA A 45 -0.043 8.443 -2.585 1.00 0.00 H new ATOM 0 HA ALA A 45 0.515 5.941 -3.912 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.101 5.066 -2.256 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.154 6.069 -1.489 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.477 6.731 -1.754 1.00 0.00 H new ATOM 651 N MET A 46 -2.521 7.235 -4.171 1.00 0.00 N ATOM 652 CA MET A 46 -3.706 7.268 -5.021 1.00 0.00 C ATOM 653 C MET A 46 -3.352 7.735 -6.430 1.00 0.00 C ATOM 654 O MET A 46 -4.102 7.502 -7.378 1.00 0.00 O ATOM 655 CB MET A 46 -4.768 8.189 -4.418 1.00 0.00 C ATOM 656 CG MET A 46 -6.153 7.991 -5.012 1.00 0.00 C ATOM 657 SD MET A 46 -6.806 6.337 -4.716 1.00 0.00 S ATOM 658 CE MET A 46 -7.873 6.641 -3.310 1.00 0.00 C ATOM 0 H MET A 46 -2.598 7.788 -3.318 1.00 0.00 H new ATOM 0 HA MET A 46 -4.106 6.256 -5.082 1.00 0.00 H new ATOM 0 HB2 MET A 46 -4.815 8.020 -3.342 1.00 0.00 H new ATOM 0 HB3 MET A 46 -4.464 9.225 -4.564 1.00 0.00 H new ATOM 0 HG2 MET A 46 -6.835 8.728 -4.587 1.00 0.00 H new ATOM 0 HG3 MET A 46 -6.113 8.175 -6.086 1.00 0.00 H new ATOM 0 HE1 MET A 46 -8.351 5.709 -3.008 1.00 0.00 H new ATOM 0 HE2 MET A 46 -7.281 7.031 -2.482 1.00 0.00 H new ATOM 0 HE3 MET A 46 -8.637 7.369 -3.584 1.00 0.00 H new ATOM 668 N ARG A 47 -2.206 8.395 -6.559 1.00 0.00 N ATOM 669 CA ARG A 47 -1.754 8.896 -7.851 1.00 0.00 C ATOM 670 C ARG A 47 -1.018 7.809 -8.628 1.00 0.00 C ATOM 671 O ARG A 47 -1.097 7.746 -9.855 1.00 0.00 O ATOM 672 CB ARG A 47 -0.842 10.110 -7.662 1.00 0.00 C ATOM 673 CG ARG A 47 -0.629 10.916 -8.932 1.00 0.00 C ATOM 674 CD ARG A 47 -1.826 11.802 -9.238 1.00 0.00 C ATOM 675 NE ARG A 47 -1.755 12.375 -10.579 1.00 0.00 N ATOM 676 CZ ARG A 47 -1.912 11.665 -11.691 1.00 0.00 C ATOM 677 NH1 ARG A 47 -2.149 10.362 -11.622 1.00 0.00 N ATOM 678 NH2 ARG A 47 -1.834 12.258 -12.875 1.00 0.00 N ATOM 0 H ARG A 47 -1.573 8.595 -5.784 1.00 0.00 H new ATOM 0 HA ARG A 47 -2.632 9.196 -8.423 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.269 10.759 -6.897 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.125 9.773 -7.290 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.264 11.533 -8.827 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.453 10.239 -9.768 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -2.742 11.220 -9.141 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -1.880 12.605 -8.503 1.00 0.00 H new ATOM 0 HE ARG A 47 -1.575 13.375 -10.667 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -2.211 9.902 -10.714 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -2.269 9.819 -12.477 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -1.653 13.260 -12.933 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -1.955 11.712 -13.728 1.00 0.00 H new ATOM 692 N ALA A 48 -0.300 6.955 -7.905 1.00 0.00 N ATOM 693 CA ALA A 48 0.449 5.870 -8.526 1.00 0.00 C ATOM 694 C ALA A 48 -0.488 4.803 -9.082 1.00 0.00 C ATOM 695 O ALA A 48 -0.077 3.950 -9.867 1.00 0.00 O ATOM 696 CB ALA A 48 1.417 5.257 -7.525 1.00 0.00 C ATOM 0 H ALA A 48 -0.222 6.994 -6.889 1.00 0.00 H new ATOM 0 HA ALA A 48 1.018 6.284 -9.358 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.970 4.448 -8.002 1.00 0.00 H new ATOM 0 HB2 ALA A 48 2.115 6.020 -7.180 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.860 4.864 -6.674 1.00 0.00 H new ATOM 702 N GLY A 49 -1.750 4.857 -8.668 1.00 0.00 N ATOM 703 CA GLY A 49 -2.726 3.889 -9.134 1.00 0.00 C ATOM 704 C GLY A 49 -2.995 2.801 -8.114 1.00 0.00 C ATOM 705 O GLY A 49 -3.661 1.810 -8.413 1.00 0.00 O ATOM 0 H GLY A 49 -2.114 5.554 -8.018 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -3.659 4.402 -9.368 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.370 3.436 -10.059 1.00 0.00 H new ATOM 709 N VAL A 50 -2.476 2.984 -6.904 1.00 0.00 N ATOM 710 CA VAL A 50 -2.663 2.009 -5.836 1.00 0.00 C ATOM 711 C VAL A 50 -3.958 2.271 -5.074 1.00 0.00 C ATOM 712 O VAL A 50 -4.293 3.417 -4.773 1.00 0.00 O ATOM 713 CB VAL A 50 -1.484 2.029 -4.845 1.00 0.00 C ATOM 714 CG1 VAL A 50 -1.096 3.460 -4.504 1.00 0.00 C ATOM 715 CG2 VAL A 50 -1.834 1.249 -3.586 1.00 0.00 C ATOM 0 H VAL A 50 -1.923 3.799 -6.639 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.714 1.028 -6.308 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.627 1.549 -5.317 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.262 3.453 -3.803 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.802 3.984 -5.413 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.947 3.969 -4.051 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.990 1.273 -2.897 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.705 1.699 -3.109 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.058 0.215 -3.849 1.00 0.00 H new ATOM 725 N LEU A 51 -4.682 1.201 -4.765 1.00 0.00 N ATOM 726 CA LEU A 51 -5.941 1.315 -4.037 1.00 0.00 C ATOM 727 C LEU A 51 -5.869 0.574 -2.705 1.00 0.00 C ATOM 728 O LEU A 51 -5.306 -0.517 -2.621 1.00 0.00 O ATOM 729 CB LEU A 51 -7.092 0.762 -4.880 1.00 0.00 C ATOM 730 CG LEU A 51 -6.901 -0.652 -5.430 1.00 0.00 C ATOM 731 CD1 LEU A 51 -7.446 -1.683 -4.455 1.00 0.00 C ATOM 732 CD2 LEU A 51 -7.575 -0.791 -6.788 1.00 0.00 C ATOM 0 H LEU A 51 -4.419 0.246 -5.007 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.121 2.371 -3.835 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -7.998 0.776 -4.275 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -7.259 1.437 -5.719 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.833 -0.831 -5.556 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.301 -2.683 -4.864 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.919 -1.600 -3.505 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -8.510 -1.507 -4.296 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.429 -1.803 -7.165 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.642 -0.592 -6.687 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.137 -0.078 -7.486 1.00 0.00 H new ATOM 744 N ALA A 52 -6.445 1.173 -1.669 1.00 0.00 N ATOM 745 CA ALA A 52 -6.450 0.569 -0.342 1.00 0.00 C ATOM 746 C ALA A 52 -6.851 -0.901 -0.411 1.00 0.00 C ATOM 747 O ALA A 52 -7.477 -1.340 -1.376 1.00 0.00 O ATOM 748 CB ALA A 52 -7.388 1.331 0.582 1.00 0.00 C ATOM 0 H ALA A 52 -6.915 2.077 -1.723 1.00 0.00 H new ATOM 0 HA ALA A 52 -5.438 0.625 0.060 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -7.381 0.869 1.569 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -7.056 2.366 0.664 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -8.399 1.305 0.176 1.00 0.00 H new ATOM 754 N ASP A 53 -6.486 -1.657 0.619 1.00 0.00 N ATOM 755 CA ASP A 53 -6.808 -3.078 0.676 1.00 0.00 C ATOM 756 C ASP A 53 -6.130 -3.835 -0.462 1.00 0.00 C ATOM 757 O ASP A 53 -6.787 -4.529 -1.238 1.00 0.00 O ATOM 758 CB ASP A 53 -8.322 -3.283 0.609 1.00 0.00 C ATOM 759 CG ASP A 53 -9.073 -2.359 1.548 1.00 0.00 C ATOM 760 OD1 ASP A 53 -8.800 -2.401 2.766 1.00 0.00 O ATOM 761 OD2 ASP A 53 -9.934 -1.595 1.064 1.00 0.00 O ATOM 0 H ASP A 53 -5.967 -1.309 1.425 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.437 -3.471 1.623 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -8.664 -3.115 -0.412 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -8.557 -4.318 0.857 1.00 0.00 H new ATOM 766 N ASP A 54 -4.812 -3.697 -0.554 1.00 0.00 N ATOM 767 CA ASP A 54 -4.044 -4.367 -1.597 1.00 0.00 C ATOM 768 C ASP A 54 -2.931 -5.217 -0.991 1.00 0.00 C ATOM 769 O ASP A 54 -1.934 -4.691 -0.494 1.00 0.00 O ATOM 770 CB ASP A 54 -3.449 -3.341 -2.563 1.00 0.00 C ATOM 771 CG ASP A 54 -4.364 -3.054 -3.737 1.00 0.00 C ATOM 772 OD1 ASP A 54 -5.142 -3.954 -4.116 1.00 0.00 O ATOM 773 OD2 ASP A 54 -4.301 -1.929 -4.278 1.00 0.00 O ATOM 0 H ASP A 54 -4.253 -3.127 0.081 1.00 0.00 H new ATOM 0 HA ASP A 54 -4.720 -5.022 -2.146 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -3.250 -2.414 -2.026 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.491 -3.707 -2.933 1.00 0.00 H new ATOM 778 N HIS A 55 -3.109 -6.534 -1.034 1.00 0.00 N ATOM 779 CA HIS A 55 -2.120 -7.457 -0.488 1.00 0.00 C ATOM 780 C HIS A 55 -0.738 -7.182 -1.075 1.00 0.00 C ATOM 781 O HIS A 55 -0.486 -7.454 -2.249 1.00 0.00 O ATOM 782 CB HIS A 55 -2.529 -8.902 -0.772 1.00 0.00 C ATOM 783 CG HIS A 55 -1.957 -9.889 0.199 1.00 0.00 C ATOM 784 ND1 HIS A 55 -2.514 -11.129 0.427 1.00 0.00 N ATOM 785 CD2 HIS A 55 -0.870 -9.812 1.001 1.00 0.00 C ATOM 786 CE1 HIS A 55 -1.794 -11.773 1.329 1.00 0.00 C ATOM 787 NE2 HIS A 55 -0.791 -10.995 1.694 1.00 0.00 N ATOM 0 H HIS A 55 -3.928 -6.986 -1.441 1.00 0.00 H new ATOM 0 HA HIS A 55 -2.074 -7.306 0.590 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -3.616 -8.974 -0.752 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -2.210 -9.170 -1.779 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -0.191 -8.976 1.081 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -1.992 -12.766 1.704 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -0.074 -11.234 2.379 1.00 0.00 H new ATOM 796 N LEU A 56 0.152 -6.641 -0.250 1.00 0.00 N ATOM 797 CA LEU A 56 1.508 -6.328 -0.688 1.00 0.00 C ATOM 798 C LEU A 56 2.226 -7.583 -1.173 1.00 0.00 C ATOM 799 O LEU A 56 2.291 -8.587 -0.463 1.00 0.00 O ATOM 800 CB LEU A 56 2.297 -5.685 0.454 1.00 0.00 C ATOM 801 CG LEU A 56 3.217 -4.527 0.065 1.00 0.00 C ATOM 802 CD1 LEU A 56 2.504 -3.196 0.242 1.00 0.00 C ATOM 803 CD2 LEU A 56 4.497 -4.563 0.888 1.00 0.00 C ATOM 0 H LEU A 56 -0.041 -6.410 0.725 1.00 0.00 H new ATOM 0 HA LEU A 56 1.443 -5.625 -1.518 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.589 -5.325 1.201 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.900 -6.457 0.932 1.00 0.00 H new ATOM 0 HG LEU A 56 3.482 -4.636 -0.987 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.174 -2.384 -0.040 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.617 -3.171 -0.392 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.208 -3.077 1.284 1.00 0.00 H new ATOM 0 HD21 LEU A 56 5.140 -3.732 0.598 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.251 -4.479 1.947 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.018 -5.504 0.710 1.00 0.00 H new ATOM 815 N ILE A 57 2.766 -7.518 -2.386 1.00 0.00 N ATOM 816 CA ILE A 57 3.483 -8.648 -2.964 1.00 0.00 C ATOM 817 C ILE A 57 4.983 -8.530 -2.721 1.00 0.00 C ATOM 818 O ILE A 57 5.611 -9.449 -2.197 1.00 0.00 O ATOM 819 CB ILE A 57 3.227 -8.760 -4.479 1.00 0.00 C ATOM 820 CG1 ILE A 57 1.724 -8.826 -4.761 1.00 0.00 C ATOM 821 CG2 ILE A 57 3.932 -9.984 -5.045 1.00 0.00 C ATOM 822 CD1 ILE A 57 1.074 -10.104 -4.278 1.00 0.00 C ATOM 0 H ILE A 57 2.720 -6.695 -2.987 1.00 0.00 H new ATOM 0 HA ILE A 57 3.108 -9.545 -2.472 1.00 0.00 H new ATOM 0 HB ILE A 57 3.630 -7.873 -4.968 1.00 0.00 H new ATOM 0 HG12 ILE A 57 1.235 -7.977 -4.284 1.00 0.00 H new ATOM 0 HG13 ILE A 57 1.559 -8.727 -5.834 1.00 0.00 H new ATOM 0 HG21 ILE A 57 3.742 -10.050 -6.116 1.00 0.00 H new ATOM 0 HG22 ILE A 57 5.005 -9.899 -4.871 1.00 0.00 H new ATOM 0 HG23 ILE A 57 3.555 -10.881 -4.554 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.009 -10.081 -4.511 1.00 0.00 H new ATOM 0 HD12 ILE A 57 1.536 -10.957 -4.774 1.00 0.00 H new ATOM 0 HD13 ILE A 57 1.207 -10.195 -3.200 1.00 0.00 H new ATOM 834 N GLU A 58 5.552 -7.390 -3.104 1.00 0.00 N ATOM 835 CA GLU A 58 6.979 -7.152 -2.926 1.00 0.00 C ATOM 836 C GLU A 58 7.277 -5.657 -2.860 1.00 0.00 C ATOM 837 O GLU A 58 6.403 -4.827 -3.110 1.00 0.00 O ATOM 838 CB GLU A 58 7.772 -7.792 -4.067 1.00 0.00 C ATOM 839 CG GLU A 58 7.241 -7.442 -5.447 1.00 0.00 C ATOM 840 CD GLU A 58 7.883 -8.268 -6.546 1.00 0.00 C ATOM 841 OE1 GLU A 58 8.988 -7.898 -6.996 1.00 0.00 O ATOM 842 OE2 GLU A 58 7.281 -9.282 -6.955 1.00 0.00 O ATOM 0 H GLU A 58 5.046 -6.618 -3.539 1.00 0.00 H new ATOM 0 HA GLU A 58 7.282 -7.607 -1.983 1.00 0.00 H new ATOM 0 HB2 GLU A 58 8.813 -7.477 -3.997 1.00 0.00 H new ATOM 0 HB3 GLU A 58 7.758 -8.875 -3.945 1.00 0.00 H new ATOM 0 HG2 GLU A 58 6.162 -7.594 -5.466 1.00 0.00 H new ATOM 0 HG3 GLU A 58 7.417 -6.384 -5.643 1.00 0.00 H new ATOM 849 N VAL A 59 8.518 -5.321 -2.522 1.00 0.00 N ATOM 850 CA VAL A 59 8.933 -3.927 -2.424 1.00 0.00 C ATOM 851 C VAL A 59 10.297 -3.712 -3.071 1.00 0.00 C ATOM 852 O VAL A 59 11.304 -4.251 -2.613 1.00 0.00 O ATOM 853 CB VAL A 59 8.994 -3.461 -0.957 1.00 0.00 C ATOM 854 CG1 VAL A 59 9.689 -2.112 -0.853 1.00 0.00 C ATOM 855 CG2 VAL A 59 7.596 -3.397 -0.360 1.00 0.00 C ATOM 0 H VAL A 59 9.254 -5.996 -2.311 1.00 0.00 H new ATOM 0 HA VAL A 59 8.186 -3.337 -2.954 1.00 0.00 H new ATOM 0 HB VAL A 59 9.575 -4.187 -0.388 1.00 0.00 H new ATOM 0 HG11 VAL A 59 9.722 -1.799 0.191 1.00 0.00 H new ATOM 0 HG12 VAL A 59 10.705 -2.195 -1.240 1.00 0.00 H new ATOM 0 HG13 VAL A 59 9.139 -1.373 -1.436 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.658 -3.066 0.677 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.989 -2.694 -0.930 1.00 0.00 H new ATOM 0 HG23 VAL A 59 7.138 -4.385 -0.399 1.00 0.00 H new ATOM 865 N ASN A 60 10.321 -2.921 -4.138 1.00 0.00 N ATOM 866 CA ASN A 60 11.562 -2.635 -4.849 1.00 0.00 C ATOM 867 C ASN A 60 12.140 -3.904 -5.468 1.00 0.00 C ATOM 868 O ASN A 60 13.344 -4.003 -5.696 1.00 0.00 O ATOM 869 CB ASN A 60 12.585 -2.006 -3.900 1.00 0.00 C ATOM 870 CG ASN A 60 12.495 -0.492 -3.875 1.00 0.00 C ATOM 871 OD1 ASN A 60 12.524 0.160 -4.919 1.00 0.00 O ATOM 872 ND2 ASN A 60 12.387 0.074 -2.679 1.00 0.00 N ATOM 0 H ASN A 60 9.496 -2.467 -4.530 1.00 0.00 H new ATOM 0 HA ASN A 60 11.338 -1.931 -5.650 1.00 0.00 H new ATOM 0 HB2 ASN A 60 12.429 -2.393 -2.893 1.00 0.00 H new ATOM 0 HB3 ASN A 60 13.589 -2.303 -4.204 1.00 0.00 H new ATOM 0 HD21 ASN A 60 12.324 1.089 -2.599 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.367 -0.506 -1.840 1.00 0.00 H new ATOM 879 N GLY A 61 11.270 -4.873 -5.738 1.00 0.00 N ATOM 880 CA GLY A 61 11.712 -6.123 -6.329 1.00 0.00 C ATOM 881 C GLY A 61 12.108 -7.149 -5.286 1.00 0.00 C ATOM 882 O GLY A 61 13.025 -7.940 -5.503 1.00 0.00 O ATOM 0 H GLY A 61 10.268 -4.815 -5.558 1.00 0.00 H new ATOM 0 HA2 GLY A 61 10.914 -6.530 -6.950 1.00 0.00 H new ATOM 0 HA3 GLY A 61 12.560 -5.931 -6.986 1.00 0.00 H new ATOM 886 N GLU A 62 11.417 -7.134 -4.150 1.00 0.00 N ATOM 887 CA GLU A 62 11.705 -8.069 -3.069 1.00 0.00 C ATOM 888 C GLU A 62 10.417 -8.665 -2.509 1.00 0.00 C ATOM 889 O GLU A 62 9.559 -7.947 -1.998 1.00 0.00 O ATOM 890 CB GLU A 62 12.484 -7.369 -1.953 1.00 0.00 C ATOM 891 CG GLU A 62 12.929 -8.305 -0.843 1.00 0.00 C ATOM 892 CD GLU A 62 14.298 -8.905 -1.100 1.00 0.00 C ATOM 893 OE1 GLU A 62 15.194 -8.163 -1.556 1.00 0.00 O ATOM 894 OE2 GLU A 62 14.474 -10.114 -0.845 1.00 0.00 O ATOM 0 H GLU A 62 10.655 -6.485 -3.955 1.00 0.00 H new ATOM 0 HA GLU A 62 12.313 -8.878 -3.474 1.00 0.00 H new ATOM 0 HB2 GLU A 62 13.361 -6.885 -2.382 1.00 0.00 H new ATOM 0 HB3 GLU A 62 11.862 -6.582 -1.526 1.00 0.00 H new ATOM 0 HG2 GLU A 62 12.946 -7.761 0.101 1.00 0.00 H new ATOM 0 HG3 GLU A 62 12.199 -9.107 -0.735 1.00 0.00 H new ATOM 901 N ASN A 63 10.290 -9.985 -2.609 1.00 0.00 N ATOM 902 CA ASN A 63 9.107 -10.679 -2.114 1.00 0.00 C ATOM 903 C ASN A 63 8.943 -10.470 -0.611 1.00 0.00 C ATOM 904 O ASN A 63 9.688 -11.034 0.190 1.00 0.00 O ATOM 905 CB ASN A 63 9.200 -12.174 -2.425 1.00 0.00 C ATOM 906 CG ASN A 63 8.068 -12.966 -1.799 1.00 0.00 C ATOM 907 OD1 ASN A 63 8.230 -13.567 -0.736 1.00 0.00 O ATOM 908 ND2 ASN A 63 6.914 -12.970 -2.456 1.00 0.00 N ATOM 0 H ASN A 63 10.992 -10.595 -3.028 1.00 0.00 H new ATOM 0 HA ASN A 63 8.235 -10.263 -2.618 1.00 0.00 H new ATOM 0 HB2 ASN A 63 9.187 -12.319 -3.505 1.00 0.00 H new ATOM 0 HB3 ASN A 63 10.153 -12.559 -2.063 1.00 0.00 H new ATOM 0 HD21 ASN A 63 6.117 -13.485 -2.083 1.00 0.00 H new ATOM 0 HD22 ASN A 63 6.825 -12.458 -3.334 1.00 0.00 H new ATOM 915 N VAL A 64 7.962 -9.654 -0.237 1.00 0.00 N ATOM 916 CA VAL A 64 7.699 -9.371 1.169 1.00 0.00 C ATOM 917 C VAL A 64 6.361 -9.958 1.606 1.00 0.00 C ATOM 918 O VAL A 64 5.907 -9.726 2.726 1.00 0.00 O ATOM 919 CB VAL A 64 7.697 -7.856 1.446 1.00 0.00 C ATOM 920 CG1 VAL A 64 8.994 -7.224 0.963 1.00 0.00 C ATOM 921 CG2 VAL A 64 6.495 -7.196 0.789 1.00 0.00 C ATOM 0 H VAL A 64 7.337 -9.178 -0.888 1.00 0.00 H new ATOM 0 HA VAL A 64 8.502 -9.836 1.741 1.00 0.00 H new ATOM 0 HB VAL A 64 7.624 -7.701 2.522 1.00 0.00 H new ATOM 0 HG11 VAL A 64 8.975 -6.153 1.167 1.00 0.00 H new ATOM 0 HG12 VAL A 64 9.836 -7.678 1.485 1.00 0.00 H new ATOM 0 HG13 VAL A 64 9.101 -7.387 -0.109 1.00 0.00 H new ATOM 0 HG21 VAL A 64 6.510 -6.126 0.995 1.00 0.00 H new ATOM 0 HG22 VAL A 64 6.534 -7.359 -0.288 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.578 -7.630 1.188 1.00 0.00 H new ATOM 931 N GLU A 65 5.735 -10.719 0.714 1.00 0.00 N ATOM 932 CA GLU A 65 4.448 -11.339 1.009 1.00 0.00 C ATOM 933 C GLU A 65 4.417 -11.875 2.437 1.00 0.00 C ATOM 934 O GLU A 65 3.400 -11.779 3.125 1.00 0.00 O ATOM 935 CB GLU A 65 4.165 -12.473 0.021 1.00 0.00 C ATOM 936 CG GLU A 65 3.643 -11.993 -1.323 1.00 0.00 C ATOM 937 CD GLU A 65 2.911 -13.079 -2.086 1.00 0.00 C ATOM 938 OE1 GLU A 65 1.900 -13.593 -1.563 1.00 0.00 O ATOM 939 OE2 GLU A 65 3.350 -13.416 -3.206 1.00 0.00 O ATOM 0 H GLU A 65 6.097 -10.921 -0.218 1.00 0.00 H new ATOM 0 HA GLU A 65 3.675 -10.577 0.908 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.081 -13.043 -0.137 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.437 -13.154 0.462 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.972 -11.148 -1.167 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.477 -11.631 -1.924 1.00 0.00 H new ATOM 946 N ASP A 66 5.536 -12.439 2.876 1.00 0.00 N ATOM 947 CA ASP A 66 5.638 -12.990 4.222 1.00 0.00 C ATOM 948 C ASP A 66 6.724 -12.276 5.021 1.00 0.00 C ATOM 949 O ASP A 66 7.532 -12.913 5.696 1.00 0.00 O ATOM 950 CB ASP A 66 5.935 -14.489 4.161 1.00 0.00 C ATOM 951 CG ASP A 66 7.354 -14.781 3.712 1.00 0.00 C ATOM 952 OD1 ASP A 66 7.893 -13.996 2.905 1.00 0.00 O ATOM 953 OD2 ASP A 66 7.924 -15.795 4.167 1.00 0.00 O ATOM 0 H ASP A 66 6.386 -12.527 2.319 1.00 0.00 H new ATOM 0 HA ASP A 66 4.683 -12.837 4.724 1.00 0.00 H new ATOM 0 HB2 ASP A 66 5.770 -14.929 5.144 1.00 0.00 H new ATOM 0 HB3 ASP A 66 5.235 -14.968 3.476 1.00 0.00 H new ATOM 958 N ALA A 67 6.737 -10.950 4.938 1.00 0.00 N ATOM 959 CA ALA A 67 7.723 -10.149 5.653 1.00 0.00 C ATOM 960 C ALA A 67 7.059 -9.284 6.719 1.00 0.00 C ATOM 961 O ALA A 67 6.044 -8.636 6.462 1.00 0.00 O ATOM 962 CB ALA A 67 8.506 -9.281 4.679 1.00 0.00 C ATOM 0 H ALA A 67 6.076 -10.407 4.383 1.00 0.00 H new ATOM 0 HA ALA A 67 8.413 -10.829 6.152 1.00 0.00 H new ATOM 0 HB1 ALA A 67 9.238 -8.689 5.227 1.00 0.00 H new ATOM 0 HB2 ALA A 67 9.020 -9.916 3.958 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.821 -8.615 4.153 1.00 0.00 H new ATOM 968 N SER A 68 7.637 -9.279 7.916 1.00 0.00 N ATOM 969 CA SER A 68 7.098 -8.497 9.022 1.00 0.00 C ATOM 970 C SER A 68 7.102 -7.008 8.688 1.00 0.00 C ATOM 971 O SER A 68 7.937 -6.536 7.915 1.00 0.00 O ATOM 972 CB SER A 68 7.909 -8.748 10.295 1.00 0.00 C ATOM 973 OG SER A 68 7.671 -10.049 10.803 1.00 0.00 O ATOM 0 H SER A 68 8.479 -9.808 8.144 1.00 0.00 H new ATOM 0 HA SER A 68 6.068 -8.811 9.188 1.00 0.00 H new ATOM 0 HB2 SER A 68 8.971 -8.626 10.083 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.647 -8.006 11.049 1.00 0.00 H new ATOM 0 HG SER A 68 8.202 -10.185 11.615 1.00 0.00 H new ATOM 979 N HIS A 69 6.164 -6.273 9.276 1.00 0.00 N ATOM 980 CA HIS A 69 6.059 -4.837 9.042 1.00 0.00 C ATOM 981 C HIS A 69 7.396 -4.147 9.292 1.00 0.00 C ATOM 982 O HIS A 69 7.816 -3.288 8.517 1.00 0.00 O ATOM 983 CB HIS A 69 4.982 -4.230 9.942 1.00 0.00 C ATOM 984 CG HIS A 69 4.468 -2.911 9.454 1.00 0.00 C ATOM 985 ND1 HIS A 69 3.151 -2.521 9.584 1.00 0.00 N ATOM 986 CD2 HIS A 69 5.102 -1.888 8.835 1.00 0.00 C ATOM 987 CE1 HIS A 69 2.998 -1.316 9.064 1.00 0.00 C ATOM 988 NE2 HIS A 69 4.167 -0.909 8.603 1.00 0.00 N ATOM 0 H HIS A 69 5.466 -6.648 9.918 1.00 0.00 H new ATOM 0 HA HIS A 69 5.780 -4.683 8.000 1.00 0.00 H new ATOM 0 HB2 HIS A 69 4.149 -4.929 10.020 1.00 0.00 H new ATOM 0 HB3 HIS A 69 5.388 -4.104 10.946 1.00 0.00 H new ATOM 0 HD2 HIS A 69 6.149 -1.849 8.572 1.00 0.00 H new ATOM 0 HE1 HIS A 69 2.074 -0.758 9.023 1.00 0.00 H new ATOM 0 HE2 HIS A 69 4.346 -0.014 8.149 1.00 0.00 H new ATOM 997 N GLU A 70 8.059 -4.527 10.380 1.00 0.00 N ATOM 998 CA GLU A 70 9.347 -3.943 10.732 1.00 0.00 C ATOM 999 C GLU A 70 10.393 -4.247 9.663 1.00 0.00 C ATOM 1000 O GLU A 70 11.376 -3.520 9.518 1.00 0.00 O ATOM 1001 CB GLU A 70 9.819 -4.472 12.088 1.00 0.00 C ATOM 1002 CG GLU A 70 8.991 -3.972 13.259 1.00 0.00 C ATOM 1003 CD GLU A 70 7.552 -4.447 13.201 1.00 0.00 C ATOM 1004 OE1 GLU A 70 7.325 -5.668 13.336 1.00 0.00 O ATOM 1005 OE2 GLU A 70 6.653 -3.599 13.020 1.00 0.00 O ATOM 0 H GLU A 70 7.725 -5.237 11.032 1.00 0.00 H new ATOM 0 HA GLU A 70 9.221 -2.862 10.796 1.00 0.00 H new ATOM 0 HB2 GLU A 70 9.791 -5.562 12.073 1.00 0.00 H new ATOM 0 HB3 GLU A 70 10.859 -4.182 12.239 1.00 0.00 H new ATOM 0 HG2 GLU A 70 9.444 -4.311 14.191 1.00 0.00 H new ATOM 0 HG3 GLU A 70 9.010 -2.882 13.273 1.00 0.00 H new ATOM 1012 N GLU A 71 10.173 -5.326 8.918 1.00 0.00 N ATOM 1013 CA GLU A 71 11.097 -5.726 7.864 1.00 0.00 C ATOM 1014 C GLU A 71 10.854 -4.919 6.592 1.00 0.00 C ATOM 1015 O GLU A 71 11.768 -4.702 5.797 1.00 0.00 O ATOM 1016 CB GLU A 71 10.952 -7.221 7.569 1.00 0.00 C ATOM 1017 CG GLU A 71 11.664 -8.111 8.572 1.00 0.00 C ATOM 1018 CD GLU A 71 13.170 -7.933 8.545 1.00 0.00 C ATOM 1019 OE1 GLU A 71 13.673 -7.024 9.238 1.00 0.00 O ATOM 1020 OE2 GLU A 71 13.845 -8.703 7.830 1.00 0.00 O ATOM 0 H GLU A 71 9.364 -5.938 9.025 1.00 0.00 H new ATOM 0 HA GLU A 71 12.111 -5.528 8.210 1.00 0.00 H new ATOM 0 HB2 GLU A 71 9.893 -7.479 7.555 1.00 0.00 H new ATOM 0 HB3 GLU A 71 11.343 -7.426 6.572 1.00 0.00 H new ATOM 0 HG2 GLU A 71 11.294 -7.892 9.574 1.00 0.00 H new ATOM 0 HG3 GLU A 71 11.421 -9.153 8.364 1.00 0.00 H new ATOM 1027 N VAL A 72 9.614 -4.477 6.406 1.00 0.00 N ATOM 1028 CA VAL A 72 9.249 -3.694 5.232 1.00 0.00 C ATOM 1029 C VAL A 72 9.585 -2.220 5.428 1.00 0.00 C ATOM 1030 O VAL A 72 10.292 -1.620 4.619 1.00 0.00 O ATOM 1031 CB VAL A 72 7.749 -3.829 4.911 1.00 0.00 C ATOM 1032 CG1 VAL A 72 7.384 -2.986 3.699 1.00 0.00 C ATOM 1033 CG2 VAL A 72 7.382 -5.288 4.686 1.00 0.00 C ATOM 0 H VAL A 72 8.845 -4.648 7.054 1.00 0.00 H new ATOM 0 HA VAL A 72 9.828 -4.088 4.397 1.00 0.00 H new ATOM 0 HB VAL A 72 7.178 -3.462 5.764 1.00 0.00 H new ATOM 0 HG11 VAL A 72 6.320 -3.094 3.488 1.00 0.00 H new ATOM 0 HG12 VAL A 72 7.609 -1.939 3.903 1.00 0.00 H new ATOM 0 HG13 VAL A 72 7.961 -3.320 2.837 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.318 -5.365 4.460 1.00 0.00 H new ATOM 0 HG22 VAL A 72 7.960 -5.684 3.851 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.605 -5.862 5.585 1.00 0.00 H new ATOM 1043 N VAL A 73 9.074 -1.642 6.510 1.00 0.00 N ATOM 1044 CA VAL A 73 9.321 -0.237 6.815 1.00 0.00 C ATOM 1045 C VAL A 73 10.778 0.133 6.561 1.00 0.00 C ATOM 1046 O VAL A 73 11.069 1.071 5.820 1.00 0.00 O ATOM 1047 CB VAL A 73 8.968 0.090 8.278 1.00 0.00 C ATOM 1048 CG1 VAL A 73 9.585 -0.934 9.219 1.00 0.00 C ATOM 1049 CG2 VAL A 73 9.424 1.497 8.634 1.00 0.00 C ATOM 0 H VAL A 73 8.487 -2.124 7.190 1.00 0.00 H new ATOM 0 HA VAL A 73 8.680 0.347 6.155 1.00 0.00 H new ATOM 0 HB VAL A 73 7.885 0.044 8.391 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.324 -0.686 10.248 1.00 0.00 H new ATOM 0 HG12 VAL A 73 9.204 -1.926 8.977 1.00 0.00 H new ATOM 0 HG13 VAL A 73 10.669 -0.924 9.107 1.00 0.00 H new ATOM 0 HG21 VAL A 73 9.167 1.711 9.671 1.00 0.00 H new ATOM 0 HG22 VAL A 73 10.504 1.573 8.505 1.00 0.00 H new ATOM 0 HG23 VAL A 73 8.929 2.216 7.981 1.00 0.00 H new ATOM 1059 N GLU A 74 11.688 -0.612 7.180 1.00 0.00 N ATOM 1060 CA GLU A 74 13.116 -0.361 7.020 1.00 0.00 C ATOM 1061 C GLU A 74 13.514 -0.405 5.548 1.00 0.00 C ATOM 1062 O GLU A 74 14.295 0.424 5.079 1.00 0.00 O ATOM 1063 CB GLU A 74 13.928 -1.389 7.811 1.00 0.00 C ATOM 1064 CG GLU A 74 14.106 -2.712 7.085 1.00 0.00 C ATOM 1065 CD GLU A 74 15.003 -3.675 7.839 1.00 0.00 C ATOM 1066 OE1 GLU A 74 15.080 -3.565 9.080 1.00 0.00 O ATOM 1067 OE2 GLU A 74 15.628 -4.539 7.188 1.00 0.00 O ATOM 0 H GLU A 74 11.463 -1.393 7.796 1.00 0.00 H new ATOM 0 HA GLU A 74 13.330 0.635 7.406 1.00 0.00 H new ATOM 0 HB2 GLU A 74 14.910 -0.971 8.033 1.00 0.00 H new ATOM 0 HB3 GLU A 74 13.436 -1.572 8.766 1.00 0.00 H new ATOM 0 HG2 GLU A 74 13.130 -3.173 6.933 1.00 0.00 H new ATOM 0 HG3 GLU A 74 14.528 -2.526 6.097 1.00 0.00 H new ATOM 1074 N LYS A 75 12.974 -1.378 4.823 1.00 0.00 N ATOM 1075 CA LYS A 75 13.271 -1.532 3.404 1.00 0.00 C ATOM 1076 C LYS A 75 12.791 -0.319 2.614 1.00 0.00 C ATOM 1077 O LYS A 75 13.348 0.012 1.567 1.00 0.00 O ATOM 1078 CB LYS A 75 12.613 -2.801 2.859 1.00 0.00 C ATOM 1079 CG LYS A 75 13.369 -4.074 3.202 1.00 0.00 C ATOM 1080 CD LYS A 75 12.482 -5.301 3.076 1.00 0.00 C ATOM 1081 CE LYS A 75 12.471 -5.837 1.652 1.00 0.00 C ATOM 1082 NZ LYS A 75 11.594 -5.028 0.761 1.00 0.00 N ATOM 0 H LYS A 75 12.327 -2.073 5.195 1.00 0.00 H new ATOM 0 HA LYS A 75 14.352 -1.613 3.291 1.00 0.00 H new ATOM 0 HB2 LYS A 75 11.599 -2.873 3.254 1.00 0.00 H new ATOM 0 HB3 LYS A 75 12.528 -2.720 1.775 1.00 0.00 H new ATOM 0 HG2 LYS A 75 14.229 -4.177 2.541 1.00 0.00 H new ATOM 0 HG3 LYS A 75 13.755 -4.006 4.219 1.00 0.00 H new ATOM 0 HD2 LYS A 75 12.834 -6.077 3.755 1.00 0.00 H new ATOM 0 HD3 LYS A 75 11.466 -5.049 3.379 1.00 0.00 H new ATOM 0 HE2 LYS A 75 13.487 -5.839 1.257 1.00 0.00 H new ATOM 0 HE3 LYS A 75 12.129 -6.872 1.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 10.999 -5.662 0.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 10.988 -4.410 1.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 12.182 -4.446 0.131 1.00 0.00 H new ATOM 1096 N VAL A 76 11.756 0.342 3.122 1.00 0.00 N ATOM 1097 CA VAL A 76 11.204 1.521 2.465 1.00 0.00 C ATOM 1098 C VAL A 76 12.071 2.749 2.719 1.00 0.00 C ATOM 1099 O VAL A 76 12.631 3.330 1.789 1.00 0.00 O ATOM 1100 CB VAL A 76 9.770 1.811 2.946 1.00 0.00 C ATOM 1101 CG1 VAL A 76 9.224 3.063 2.275 1.00 0.00 C ATOM 1102 CG2 VAL A 76 8.866 0.616 2.678 1.00 0.00 C ATOM 0 H VAL A 76 11.283 0.081 3.987 1.00 0.00 H new ATOM 0 HA VAL A 76 11.185 1.308 1.396 1.00 0.00 H new ATOM 0 HB VAL A 76 9.795 1.985 4.022 1.00 0.00 H new ATOM 0 HG11 VAL A 76 8.210 3.252 2.627 1.00 0.00 H new ATOM 0 HG12 VAL A 76 9.858 3.914 2.522 1.00 0.00 H new ATOM 0 HG13 VAL A 76 9.212 2.921 1.194 1.00 0.00 H new ATOM 0 HG21 VAL A 76 7.857 0.838 3.024 1.00 0.00 H new ATOM 0 HG22 VAL A 76 8.845 0.408 1.608 1.00 0.00 H new ATOM 0 HG23 VAL A 76 9.248 -0.256 3.209 1.00 0.00 H new ATOM 1112 N LYS A 77 12.179 3.139 3.984 1.00 0.00 N ATOM 1113 CA LYS A 77 12.980 4.297 4.362 1.00 0.00 C ATOM 1114 C LYS A 77 14.402 4.175 3.825 1.00 0.00 C ATOM 1115 O LYS A 77 14.989 5.154 3.364 1.00 0.00 O ATOM 1116 CB LYS A 77 13.010 4.447 5.885 1.00 0.00 C ATOM 1117 CG LYS A 77 13.912 3.440 6.577 1.00 0.00 C ATOM 1118 CD LYS A 77 14.109 3.783 8.044 1.00 0.00 C ATOM 1119 CE LYS A 77 14.335 2.535 8.883 1.00 0.00 C ATOM 1120 NZ LYS A 77 14.902 2.862 10.221 1.00 0.00 N ATOM 0 H LYS A 77 11.722 2.670 4.766 1.00 0.00 H new ATOM 0 HA LYS A 77 12.520 5.183 3.924 1.00 0.00 H new ATOM 0 HB2 LYS A 77 13.344 5.454 6.136 1.00 0.00 H new ATOM 0 HB3 LYS A 77 11.997 4.341 6.272 1.00 0.00 H new ATOM 0 HG2 LYS A 77 13.480 2.443 6.490 1.00 0.00 H new ATOM 0 HG3 LYS A 77 14.880 3.412 6.076 1.00 0.00 H new ATOM 0 HD2 LYS A 77 14.962 4.454 8.151 1.00 0.00 H new ATOM 0 HD3 LYS A 77 13.234 4.318 8.414 1.00 0.00 H new ATOM 0 HE2 LYS A 77 13.391 2.005 9.008 1.00 0.00 H new ATOM 0 HE3 LYS A 77 15.011 1.861 8.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 15.042 1.985 10.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 15.815 3.345 10.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 14.245 3.485 10.734 1.00 0.00 H new ATOM 1134 N LYS A 78 14.950 2.966 3.885 1.00 0.00 N ATOM 1135 CA LYS A 78 16.302 2.714 3.402 1.00 0.00 C ATOM 1136 C LYS A 78 16.365 2.818 1.881 1.00 0.00 C ATOM 1137 O LYS A 78 17.344 3.314 1.324 1.00 0.00 O ATOM 1138 CB LYS A 78 16.775 1.328 3.849 1.00 0.00 C ATOM 1139 CG LYS A 78 17.161 1.261 5.316 1.00 0.00 C ATOM 1140 CD LYS A 78 18.153 0.142 5.581 1.00 0.00 C ATOM 1141 CE LYS A 78 17.488 -1.224 5.499 1.00 0.00 C ATOM 1142 NZ LYS A 78 18.484 -2.315 5.314 1.00 0.00 N ATOM 0 H LYS A 78 14.478 2.145 4.264 1.00 0.00 H new ATOM 0 HA LYS A 78 16.960 3.471 3.828 1.00 0.00 H new ATOM 0 HB2 LYS A 78 15.983 0.604 3.657 1.00 0.00 H new ATOM 0 HB3 LYS A 78 17.631 1.033 3.243 1.00 0.00 H new ATOM 0 HG2 LYS A 78 17.594 2.213 5.623 1.00 0.00 H new ATOM 0 HG3 LYS A 78 16.268 1.108 5.922 1.00 0.00 H new ATOM 0 HD2 LYS A 78 18.966 0.196 4.857 1.00 0.00 H new ATOM 0 HD3 LYS A 78 18.596 0.273 6.568 1.00 0.00 H new ATOM 0 HE2 LYS A 78 16.916 -1.405 6.409 1.00 0.00 H new ATOM 0 HE3 LYS A 78 16.780 -1.234 4.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 17.992 -3.230 5.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 19.013 -2.157 4.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 19.144 -2.322 6.117 1.00 0.00 H new ATOM 1156 N SER A 79 15.314 2.348 1.217 1.00 0.00 N ATOM 1157 CA SER A 79 15.252 2.387 -0.240 1.00 0.00 C ATOM 1158 C SER A 79 15.953 3.629 -0.781 1.00 0.00 C ATOM 1159 O SER A 79 16.770 3.545 -1.697 1.00 0.00 O ATOM 1160 CB SER A 79 13.796 2.365 -0.709 1.00 0.00 C ATOM 1161 OG SER A 79 13.269 3.677 -0.800 1.00 0.00 O ATOM 0 H SER A 79 14.495 1.936 1.664 1.00 0.00 H new ATOM 0 HA SER A 79 15.765 1.505 -0.625 1.00 0.00 H new ATOM 0 HB2 SER A 79 13.731 1.876 -1.681 1.00 0.00 H new ATOM 0 HB3 SER A 79 13.196 1.776 -0.015 1.00 0.00 H new ATOM 0 HG SER A 79 12.894 3.940 0.066 1.00 0.00 H new ATOM 1167 N GLY A 80 15.628 4.783 -0.206 1.00 0.00 N ATOM 1168 CA GLY A 80 16.236 6.026 -0.643 1.00 0.00 C ATOM 1169 C GLY A 80 15.227 7.151 -0.767 1.00 0.00 C ATOM 1170 O GLY A 80 15.012 7.909 0.179 1.00 0.00 O ATOM 0 H GLY A 80 14.955 4.879 0.554 1.00 0.00 H new ATOM 0 HA2 GLY A 80 17.013 6.315 0.064 1.00 0.00 H new ATOM 0 HA3 GLY A 80 16.723 5.870 -1.606 1.00 0.00 H new ATOM 1174 N SER A 81 14.609 7.263 -1.939 1.00 0.00 N ATOM 1175 CA SER A 81 13.622 8.307 -2.186 1.00 0.00 C ATOM 1176 C SER A 81 12.331 7.714 -2.741 1.00 0.00 C ATOM 1177 O SER A 81 11.239 8.019 -2.261 1.00 0.00 O ATOM 1178 CB SER A 81 14.180 9.345 -3.161 1.00 0.00 C ATOM 1179 OG SER A 81 14.528 8.748 -4.398 1.00 0.00 O ATOM 0 H SER A 81 14.775 6.643 -2.732 1.00 0.00 H new ATOM 0 HA SER A 81 13.399 8.794 -1.236 1.00 0.00 H new ATOM 0 HB2 SER A 81 13.440 10.127 -3.327 1.00 0.00 H new ATOM 0 HB3 SER A 81 15.057 9.823 -2.725 1.00 0.00 H new ATOM 0 HG SER A 81 14.880 9.433 -5.004 1.00 0.00 H new ATOM 1185 N ARG A 82 12.465 6.866 -3.755 1.00 0.00 N ATOM 1186 CA ARG A 82 11.309 6.230 -4.377 1.00 0.00 C ATOM 1187 C ARG A 82 11.385 4.712 -4.240 1.00 0.00 C ATOM 1188 O ARG A 82 12.470 4.142 -4.127 1.00 0.00 O ATOM 1189 CB ARG A 82 11.222 6.616 -5.855 1.00 0.00 C ATOM 1190 CG ARG A 82 12.490 6.316 -6.638 1.00 0.00 C ATOM 1191 CD ARG A 82 12.686 7.302 -7.779 1.00 0.00 C ATOM 1192 NE ARG A 82 11.602 7.232 -8.755 1.00 0.00 N ATOM 1193 CZ ARG A 82 11.537 7.999 -9.838 1.00 0.00 C ATOM 1194 NH1 ARG A 82 12.489 8.890 -10.081 1.00 0.00 N ATOM 1195 NH2 ARG A 82 10.519 7.876 -10.680 1.00 0.00 N ATOM 0 H ARG A 82 13.362 6.603 -4.164 1.00 0.00 H new ATOM 0 HA ARG A 82 10.413 6.580 -3.864 1.00 0.00 H new ATOM 0 HB2 ARG A 82 10.388 6.084 -6.312 1.00 0.00 H new ATOM 0 HB3 ARG A 82 11.001 7.681 -5.931 1.00 0.00 H new ATOM 0 HG2 ARG A 82 13.350 6.356 -5.969 1.00 0.00 H new ATOM 0 HG3 ARG A 82 12.442 5.302 -7.036 1.00 0.00 H new ATOM 0 HD2 ARG A 82 12.748 8.313 -7.377 1.00 0.00 H new ATOM 0 HD3 ARG A 82 13.635 7.098 -8.276 1.00 0.00 H new ATOM 0 HE ARG A 82 10.854 6.557 -8.597 1.00 0.00 H new ATOM 0 HH11 ARG A 82 13.273 8.987 -9.436 1.00 0.00 H new ATOM 0 HH12 ARG A 82 12.437 9.478 -10.913 1.00 0.00 H new ATOM 0 HH21 ARG A 82 9.785 7.192 -10.496 1.00 0.00 H new ATOM 0 HH22 ARG A 82 10.470 8.465 -11.511 1.00 0.00 H new ATOM 1209 N VAL A 83 10.224 4.064 -4.250 1.00 0.00 N ATOM 1210 CA VAL A 83 10.158 2.613 -4.127 1.00 0.00 C ATOM 1211 C VAL A 83 9.154 2.023 -5.112 1.00 0.00 C ATOM 1212 O VAL A 83 8.431 2.754 -5.788 1.00 0.00 O ATOM 1213 CB VAL A 83 9.770 2.187 -2.699 1.00 0.00 C ATOM 1214 CG1 VAL A 83 10.866 2.565 -1.713 1.00 0.00 C ATOM 1215 CG2 VAL A 83 8.443 2.813 -2.299 1.00 0.00 C ATOM 0 H VAL A 83 9.317 4.521 -4.342 1.00 0.00 H new ATOM 0 HA VAL A 83 11.153 2.231 -4.354 1.00 0.00 H new ATOM 0 HB VAL A 83 9.655 1.103 -2.680 1.00 0.00 H new ATOM 0 HG11 VAL A 83 10.575 2.256 -0.709 1.00 0.00 H new ATOM 0 HG12 VAL A 83 11.794 2.065 -1.991 1.00 0.00 H new ATOM 0 HG13 VAL A 83 11.016 3.645 -1.732 1.00 0.00 H new ATOM 0 HG21 VAL A 83 8.184 2.501 -1.287 1.00 0.00 H new ATOM 0 HG22 VAL A 83 8.528 3.899 -2.334 1.00 0.00 H new ATOM 0 HG23 VAL A 83 7.665 2.488 -2.989 1.00 0.00 H new ATOM 1225 N MET A 84 9.115 0.697 -5.186 1.00 0.00 N ATOM 1226 CA MET A 84 8.198 0.009 -6.086 1.00 0.00 C ATOM 1227 C MET A 84 7.322 -0.978 -5.321 1.00 0.00 C ATOM 1228 O MET A 84 7.803 -1.998 -4.828 1.00 0.00 O ATOM 1229 CB MET A 84 8.977 -0.725 -7.180 1.00 0.00 C ATOM 1230 CG MET A 84 8.120 -1.669 -8.007 1.00 0.00 C ATOM 1231 SD MET A 84 9.100 -2.884 -8.910 1.00 0.00 S ATOM 1232 CE MET A 84 10.087 -1.815 -9.954 1.00 0.00 C ATOM 0 H MET A 84 9.708 0.078 -4.633 1.00 0.00 H new ATOM 0 HA MET A 84 7.554 0.757 -6.548 1.00 0.00 H new ATOM 0 HB2 MET A 84 9.437 0.009 -7.842 1.00 0.00 H new ATOM 0 HB3 MET A 84 9.787 -1.291 -6.720 1.00 0.00 H new ATOM 0 HG2 MET A 84 7.420 -2.187 -7.351 1.00 0.00 H new ATOM 0 HG3 MET A 84 7.526 -1.090 -8.713 1.00 0.00 H new ATOM 0 HE1 MET A 84 10.628 -2.418 -10.684 1.00 0.00 H new ATOM 0 HE2 MET A 84 9.436 -1.113 -10.475 1.00 0.00 H new ATOM 0 HE3 MET A 84 10.799 -1.263 -9.340 1.00 0.00 H new ATOM 1242 N PHE A 85 6.033 -0.667 -5.225 1.00 0.00 N ATOM 1243 CA PHE A 85 5.090 -1.526 -4.518 1.00 0.00 C ATOM 1244 C PHE A 85 4.215 -2.297 -5.501 1.00 0.00 C ATOM 1245 O PHE A 85 3.449 -1.706 -6.264 1.00 0.00 O ATOM 1246 CB PHE A 85 4.213 -0.693 -3.580 1.00 0.00 C ATOM 1247 CG PHE A 85 4.990 0.033 -2.520 1.00 0.00 C ATOM 1248 CD1 PHE A 85 5.975 -0.619 -1.795 1.00 0.00 C ATOM 1249 CD2 PHE A 85 4.736 1.367 -2.247 1.00 0.00 C ATOM 1250 CE1 PHE A 85 6.692 0.046 -0.818 1.00 0.00 C ATOM 1251 CE2 PHE A 85 5.450 2.038 -1.272 1.00 0.00 C ATOM 1252 CZ PHE A 85 6.428 1.376 -0.556 1.00 0.00 C ATOM 0 H PHE A 85 5.618 0.173 -5.628 1.00 0.00 H new ATOM 0 HA PHE A 85 5.661 -2.243 -3.928 1.00 0.00 H new ATOM 0 HB2 PHE A 85 3.652 0.033 -4.169 1.00 0.00 H new ATOM 0 HB3 PHE A 85 3.484 -1.347 -3.101 1.00 0.00 H new ATOM 0 HD1 PHE A 85 6.185 -1.659 -1.996 1.00 0.00 H new ATOM 0 HD2 PHE A 85 3.971 1.889 -2.803 1.00 0.00 H new ATOM 0 HE1 PHE A 85 7.457 -0.474 -0.261 1.00 0.00 H new ATOM 0 HE2 PHE A 85 5.243 3.079 -1.070 1.00 0.00 H new ATOM 0 HZ PHE A 85 6.986 1.898 0.208 1.00 0.00 H new ATOM 1262 N LEU A 86 4.333 -3.620 -5.477 1.00 0.00 N ATOM 1263 CA LEU A 86 3.554 -4.474 -6.367 1.00 0.00 C ATOM 1264 C LEU A 86 2.420 -5.158 -5.609 1.00 0.00 C ATOM 1265 O LEU A 86 2.658 -5.940 -4.688 1.00 0.00 O ATOM 1266 CB LEU A 86 4.455 -5.525 -7.016 1.00 0.00 C ATOM 1267 CG LEU A 86 3.763 -6.517 -7.952 1.00 0.00 C ATOM 1268 CD1 LEU A 86 3.472 -5.869 -9.296 1.00 0.00 C ATOM 1269 CD2 LEU A 86 4.615 -7.765 -8.132 1.00 0.00 C ATOM 0 H LEU A 86 4.961 -4.125 -4.851 1.00 0.00 H new ATOM 0 HA LEU A 86 3.120 -3.846 -7.145 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.234 -5.010 -7.577 1.00 0.00 H new ATOM 0 HB3 LEU A 86 4.951 -6.088 -6.225 1.00 0.00 H new ATOM 0 HG LEU A 86 2.815 -6.811 -7.501 1.00 0.00 H new ATOM 0 HD11 LEU A 86 2.980 -6.590 -9.949 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.821 -5.007 -9.151 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.407 -5.545 -9.754 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.107 -8.459 -8.801 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.579 -7.489 -8.560 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.771 -8.242 -7.164 1.00 0.00 H new ATOM 1281 N LEU A 87 1.187 -4.859 -6.004 1.00 0.00 N ATOM 1282 CA LEU A 87 0.015 -5.447 -5.364 1.00 0.00 C ATOM 1283 C LEU A 87 -0.976 -5.956 -6.405 1.00 0.00 C ATOM 1284 O LEU A 87 -0.766 -5.797 -7.607 1.00 0.00 O ATOM 1285 CB LEU A 87 -0.663 -4.419 -4.456 1.00 0.00 C ATOM 1286 CG LEU A 87 0.245 -3.338 -3.870 1.00 0.00 C ATOM 1287 CD1 LEU A 87 0.315 -2.138 -4.801 1.00 0.00 C ATOM 1288 CD2 LEU A 87 -0.247 -2.918 -2.492 1.00 0.00 C ATOM 0 H LEU A 87 0.973 -4.213 -6.764 1.00 0.00 H new ATOM 0 HA LEU A 87 0.346 -6.293 -4.761 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -1.456 -3.931 -5.022 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.140 -4.950 -3.632 1.00 0.00 H new ATOM 0 HG LEU A 87 1.249 -3.750 -3.766 1.00 0.00 H new ATOM 0 HD11 LEU A 87 0.966 -1.379 -4.367 1.00 0.00 H new ATOM 0 HD12 LEU A 87 0.714 -2.449 -5.767 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.684 -1.725 -4.937 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.411 -2.148 -2.090 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.260 -2.524 -2.572 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.245 -3.781 -1.826 1.00 0.00 H new ATOM 1300 N VAL A 88 -2.059 -6.567 -5.935 1.00 0.00 N ATOM 1301 CA VAL A 88 -3.085 -7.097 -6.825 1.00 0.00 C ATOM 1302 C VAL A 88 -4.444 -6.473 -6.529 1.00 0.00 C ATOM 1303 O VAL A 88 -4.697 -6.008 -5.418 1.00 0.00 O ATOM 1304 CB VAL A 88 -3.198 -8.628 -6.702 1.00 0.00 C ATOM 1305 CG1 VAL A 88 -4.154 -9.179 -7.749 1.00 0.00 C ATOM 1306 CG2 VAL A 88 -1.827 -9.275 -6.828 1.00 0.00 C ATOM 0 H VAL A 88 -2.248 -6.707 -4.943 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.785 -6.843 -7.842 1.00 0.00 H new ATOM 0 HB VAL A 88 -3.599 -8.867 -5.717 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -4.221 -10.262 -7.646 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -5.141 -8.739 -7.607 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -3.786 -8.931 -8.744 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.926 -10.357 -6.739 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -1.396 -9.029 -7.799 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -1.175 -8.904 -6.037 1.00 0.00 H new ATOM 1316 N ASP A 89 -5.316 -6.467 -7.531 1.00 0.00 N ATOM 1317 CA ASP A 89 -6.652 -5.901 -7.379 1.00 0.00 C ATOM 1318 C ASP A 89 -7.493 -6.743 -6.424 1.00 0.00 C ATOM 1319 O ASP A 89 -7.629 -7.954 -6.602 1.00 0.00 O ATOM 1320 CB ASP A 89 -7.345 -5.804 -8.739 1.00 0.00 C ATOM 1321 CG ASP A 89 -6.778 -4.692 -9.599 1.00 0.00 C ATOM 1322 OD1 ASP A 89 -5.572 -4.744 -9.916 1.00 0.00 O ATOM 1323 OD2 ASP A 89 -7.541 -3.769 -9.955 1.00 0.00 O ATOM 0 H ASP A 89 -5.122 -6.848 -8.457 1.00 0.00 H new ATOM 0 HA ASP A 89 -6.551 -4.900 -6.959 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -7.243 -6.754 -9.264 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -8.411 -5.636 -8.589 1.00 0.00 H new ATOM 1328 N LYS A 90 -8.055 -6.094 -5.410 1.00 0.00 N ATOM 1329 CA LYS A 90 -8.883 -6.781 -4.426 1.00 0.00 C ATOM 1330 C LYS A 90 -9.944 -7.637 -5.111 1.00 0.00 C ATOM 1331 O LYS A 90 -10.363 -8.664 -4.579 1.00 0.00 O ATOM 1332 CB LYS A 90 -9.553 -5.767 -3.496 1.00 0.00 C ATOM 1333 CG LYS A 90 -10.682 -4.993 -4.152 1.00 0.00 C ATOM 1334 CD LYS A 90 -11.724 -4.557 -3.136 1.00 0.00 C ATOM 1335 CE LYS A 90 -12.780 -5.632 -2.924 1.00 0.00 C ATOM 1336 NZ LYS A 90 -14.069 -5.057 -2.449 1.00 0.00 N ATOM 0 H LYS A 90 -7.952 -5.092 -5.248 1.00 0.00 H new ATOM 0 HA LYS A 90 -8.238 -7.434 -3.838 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -9.942 -6.290 -2.622 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -8.802 -5.063 -3.138 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -10.277 -4.117 -4.658 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -11.154 -5.612 -4.915 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -11.237 -4.332 -2.187 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -12.202 -3.638 -3.475 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -12.944 -6.169 -3.858 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -12.417 -6.359 -2.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -14.762 -5.821 -2.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -13.918 -4.566 -1.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -14.429 -4.382 -3.154 1.00 0.00 H new ATOM 1350 N GLU A 91 -10.373 -7.206 -6.293 1.00 0.00 N ATOM 1351 CA GLU A 91 -11.384 -7.935 -7.050 1.00 0.00 C ATOM 1352 C GLU A 91 -10.804 -9.216 -7.641 1.00 0.00 C ATOM 1353 O GLU A 91 -11.427 -10.277 -7.587 1.00 0.00 O ATOM 1354 CB GLU A 91 -11.949 -7.055 -8.167 1.00 0.00 C ATOM 1355 CG GLU A 91 -12.868 -5.952 -7.667 1.00 0.00 C ATOM 1356 CD GLU A 91 -13.134 -4.894 -8.720 1.00 0.00 C ATOM 1357 OE1 GLU A 91 -12.225 -4.626 -9.534 1.00 0.00 O ATOM 1358 OE2 GLU A 91 -14.250 -4.333 -8.730 1.00 0.00 O ATOM 0 H GLU A 91 -10.037 -6.357 -6.747 1.00 0.00 H new ATOM 0 HA GLU A 91 -12.189 -8.204 -6.366 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -11.122 -6.606 -8.718 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -12.497 -7.682 -8.870 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -13.815 -6.389 -7.349 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -12.423 -5.483 -6.790 1.00 0.00 H new