USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 491 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 46 SER OG : rot 160:sc= 0.343 USER MOD Set 1.2: A 48 LYS NZ :NH3+ -123:sc= 0.367 (180deg=0) USER MOD Single : A 9 CYS SG : rot 180:sc= -0.352 USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.199 USER MOD Single : A 16 MET CE :methyl -134:sc= -0.946 (180deg=-3.28!) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= -0.116 X(o=-0.12,f=-0.014) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 132:sc= -3.51! USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 CYS SG : rot -130:sc= -0.637 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.0541 K(o=-0.054,f=-1.4!) USER MOD ----------------------------------------------------------------- ATOM 41 N LEU A 4 6.819 -5.510 -9.754 1.00 0.00 N ATOM 42 CA LEU A 4 7.703 -6.643 -10.010 1.00 0.00 C ATOM 43 C LEU A 4 8.974 -6.192 -10.721 1.00 0.00 C ATOM 44 O LEU A 4 8.935 -5.324 -11.594 1.00 0.00 O ATOM 45 CB LEU A 4 6.982 -7.698 -10.850 1.00 0.00 C ATOM 46 CG LEU A 4 5.814 -8.414 -10.170 1.00 0.00 C ATOM 47 CD1 LEU A 4 4.498 -7.733 -10.515 1.00 0.00 C ATOM 48 CD2 LEU A 4 5.779 -9.881 -10.574 1.00 0.00 C ATOM 0 HA LEU A 4 7.981 -7.079 -9.051 1.00 0.00 H new ATOM 0 HB2 LEU A 4 6.611 -7.220 -11.757 1.00 0.00 H new ATOM 0 HB3 LEU A 4 7.711 -8.447 -11.160 1.00 0.00 H new ATOM 0 HG LEU A 4 5.957 -8.359 -9.091 1.00 0.00 H new ATOM 0 HD11 LEU A 4 3.678 -8.256 -10.023 1.00 0.00 H new ATOM 0 HD12 LEU A 4 4.524 -6.698 -10.176 1.00 0.00 H new ATOM 0 HD13 LEU A 4 4.348 -7.757 -11.594 1.00 0.00 H new ATOM 0 HD21 LEU A 4 4.942 -10.374 -10.081 1.00 0.00 H new ATOM 0 HD22 LEU A 4 5.660 -9.958 -11.655 1.00 0.00 H new ATOM 0 HD23 LEU A 4 6.710 -10.363 -10.276 1.00 0.00 H new ATOM 60 N ARG A 5 10.101 -6.788 -10.343 1.00 0.00 N ATOM 61 CA ARG A 5 11.384 -6.448 -10.946 1.00 0.00 C ATOM 62 C ARG A 5 12.449 -7.474 -10.570 1.00 0.00 C ATOM 63 O ARG A 5 12.172 -8.443 -9.863 1.00 0.00 O ATOM 64 CB ARG A 5 11.826 -5.052 -10.503 1.00 0.00 C ATOM 65 CG ARG A 5 11.767 -4.844 -8.998 1.00 0.00 C ATOM 66 CD ARG A 5 12.908 -3.963 -8.513 1.00 0.00 C ATOM 67 NE ARG A 5 12.536 -2.552 -8.482 1.00 0.00 N ATOM 68 CZ ARG A 5 13.407 -1.565 -8.301 1.00 0.00 C ATOM 69 NH1 ARG A 5 14.694 -1.836 -8.135 1.00 0.00 N ATOM 70 NH2 ARG A 5 12.991 -0.305 -8.286 1.00 0.00 N ATOM 0 H ARG A 5 10.151 -7.508 -9.622 1.00 0.00 H new ATOM 0 HA ARG A 5 11.262 -6.456 -12.029 1.00 0.00 H new ATOM 0 HB2 ARG A 5 12.846 -4.877 -10.846 1.00 0.00 H new ATOM 0 HB3 ARG A 5 11.194 -4.309 -10.989 1.00 0.00 H new ATOM 0 HG2 ARG A 5 10.814 -4.388 -8.730 1.00 0.00 H new ATOM 0 HG3 ARG A 5 11.812 -5.809 -8.494 1.00 0.00 H new ATOM 0 HD2 ARG A 5 13.211 -4.280 -7.515 1.00 0.00 H new ATOM 0 HD3 ARG A 5 13.771 -4.096 -9.166 1.00 0.00 H new ATOM 0 HE ARG A 5 11.553 -2.310 -8.606 1.00 0.00 H new ATOM 0 HH11 ARG A 5 15.017 -2.803 -8.146 1.00 0.00 H new ATOM 0 HH12 ARG A 5 15.361 -1.077 -7.996 1.00 0.00 H new ATOM 0 HH21 ARG A 5 12.001 -0.093 -8.413 1.00 0.00 H new ATOM 0 HH22 ARG A 5 13.661 0.452 -8.147 1.00 0.00 H new ATOM 84 N VAL A 6 13.670 -7.254 -11.049 1.00 0.00 N ATOM 85 CA VAL A 6 14.777 -8.159 -10.763 1.00 0.00 C ATOM 86 C VAL A 6 15.427 -7.827 -9.425 1.00 0.00 C ATOM 87 O VAL A 6 15.838 -6.692 -9.187 1.00 0.00 O ATOM 88 CB VAL A 6 15.848 -8.101 -11.869 1.00 0.00 C ATOM 89 CG1 VAL A 6 16.362 -6.680 -12.042 1.00 0.00 C ATOM 90 CG2 VAL A 6 16.991 -9.055 -11.554 1.00 0.00 C ATOM 0 H VAL A 6 13.917 -6.457 -11.636 1.00 0.00 H new ATOM 0 HA VAL A 6 14.361 -9.165 -10.721 1.00 0.00 H new ATOM 0 HB VAL A 6 15.392 -8.413 -12.808 1.00 0.00 H new ATOM 0 HG11 VAL A 6 17.118 -6.659 -12.827 1.00 0.00 H new ATOM 0 HG12 VAL A 6 15.535 -6.025 -12.317 1.00 0.00 H new ATOM 0 HG13 VAL A 6 16.802 -6.336 -11.106 1.00 0.00 H new ATOM 0 HG21 VAL A 6 17.738 -9.001 -12.346 1.00 0.00 H new ATOM 0 HG22 VAL A 6 17.447 -8.775 -10.604 1.00 0.00 H new ATOM 0 HG23 VAL A 6 16.607 -10.073 -11.486 1.00 0.00 H new ATOM 100 N GLY A 7 15.516 -8.826 -8.552 1.00 0.00 N ATOM 101 CA GLY A 7 16.116 -8.620 -7.247 1.00 0.00 C ATOM 102 C GLY A 7 15.335 -9.294 -6.136 1.00 0.00 C ATOM 103 O GLY A 7 15.856 -9.506 -5.041 1.00 0.00 O ATOM 0 H GLY A 7 15.183 -9.774 -8.726 1.00 0.00 H new ATOM 0 HA2 GLY A 7 17.136 -9.005 -7.255 1.00 0.00 H new ATOM 0 HA3 GLY A 7 16.180 -7.551 -7.045 1.00 0.00 H new ATOM 107 N LEU A 8 14.081 -9.630 -6.417 1.00 0.00 N ATOM 108 CA LEU A 8 13.225 -10.282 -5.433 1.00 0.00 C ATOM 109 C LEU A 8 13.774 -11.655 -5.058 1.00 0.00 C ATOM 110 O LEU A 8 13.760 -12.042 -3.889 1.00 0.00 O ATOM 111 CB LEU A 8 11.802 -10.420 -5.977 1.00 0.00 C ATOM 112 CG LEU A 8 11.249 -9.208 -6.727 1.00 0.00 C ATOM 113 CD1 LEU A 8 9.811 -9.456 -7.156 1.00 0.00 C ATOM 114 CD2 LEU A 8 11.342 -7.959 -5.863 1.00 0.00 C ATOM 0 H LEU A 8 13.634 -9.462 -7.318 1.00 0.00 H new ATOM 0 HA LEU A 8 13.206 -9.662 -4.537 1.00 0.00 H new ATOM 0 HB2 LEU A 8 11.772 -11.280 -6.646 1.00 0.00 H new ATOM 0 HB3 LEU A 8 11.136 -10.641 -5.143 1.00 0.00 H new ATOM 0 HG LEU A 8 11.851 -9.052 -7.622 1.00 0.00 H new ATOM 0 HD11 LEU A 8 9.434 -8.583 -7.688 1.00 0.00 H new ATOM 0 HD12 LEU A 8 9.772 -10.326 -7.812 1.00 0.00 H new ATOM 0 HD13 LEU A 8 9.195 -9.638 -6.275 1.00 0.00 H new ATOM 0 HD21 LEU A 8 10.944 -7.106 -6.413 1.00 0.00 H new ATOM 0 HD22 LEU A 8 10.764 -8.104 -4.950 1.00 0.00 H new ATOM 0 HD23 LEU A 8 12.385 -7.771 -5.606 1.00 0.00 H new ATOM 126 N CYS A 9 14.258 -12.385 -6.056 1.00 0.00 N ATOM 127 CA CYS A 9 14.814 -13.715 -5.831 1.00 0.00 C ATOM 128 C CYS A 9 16.004 -13.969 -6.751 1.00 0.00 C ATOM 129 O CYS A 9 16.183 -13.306 -7.772 1.00 0.00 O ATOM 130 CB CYS A 9 13.742 -14.783 -6.055 1.00 0.00 C ATOM 131 SG CYS A 9 12.877 -15.287 -4.550 1.00 0.00 S ATOM 0 H CYS A 9 14.277 -12.079 -7.029 1.00 0.00 H new ATOM 0 HA CYS A 9 15.159 -13.769 -4.798 1.00 0.00 H new ATOM 0 HB2 CYS A 9 13.012 -14.406 -6.772 1.00 0.00 H new ATOM 0 HB3 CYS A 9 14.207 -15.660 -6.505 1.00 0.00 H new ATOM 0 HG CYS A 9 11.989 -16.191 -4.842 1.00 0.00 H new ATOM 137 N PRO A 10 16.837 -14.953 -6.382 1.00 0.00 N ATOM 138 CA PRO A 10 18.025 -15.317 -7.159 1.00 0.00 C ATOM 139 C PRO A 10 17.669 -15.984 -8.484 1.00 0.00 C ATOM 140 O PRO A 10 18.309 -15.739 -9.505 1.00 0.00 O ATOM 141 CB PRO A 10 18.759 -16.302 -6.246 1.00 0.00 C ATOM 142 CG PRO A 10 17.694 -16.881 -5.379 1.00 0.00 C ATOM 143 CD PRO A 10 16.685 -15.785 -5.176 1.00 0.00 C ATOM 0 HA PRO A 10 18.618 -14.443 -7.430 1.00 0.00 H new ATOM 0 HB2 PRO A 10 19.264 -17.076 -6.824 1.00 0.00 H new ATOM 0 HB3 PRO A 10 19.522 -15.798 -5.653 1.00 0.00 H new ATOM 0 HG2 PRO A 10 17.236 -17.750 -5.851 1.00 0.00 H new ATOM 0 HG3 PRO A 10 18.105 -17.215 -4.426 1.00 0.00 H new ATOM 0 HD2 PRO A 10 15.674 -16.182 -5.086 1.00 0.00 H new ATOM 0 HD3 PRO A 10 16.886 -15.217 -4.268 1.00 0.00 H new ATOM 151 N GLY A 11 16.642 -16.828 -8.459 1.00 0.00 N ATOM 152 CA GLY A 11 16.218 -17.517 -9.664 1.00 0.00 C ATOM 153 C GLY A 11 15.699 -16.565 -10.724 1.00 0.00 C ATOM 154 O GLY A 11 15.855 -16.811 -11.920 1.00 0.00 O ATOM 0 H GLY A 11 16.096 -17.047 -7.626 1.00 0.00 H new ATOM 0 HA2 GLY A 11 17.056 -18.084 -10.069 1.00 0.00 H new ATOM 0 HA3 GLY A 11 15.438 -18.236 -9.413 1.00 0.00 H new ATOM 158 N LEU A 12 15.080 -15.475 -10.285 1.00 0.00 N ATOM 159 CA LEU A 12 14.534 -14.483 -11.204 1.00 0.00 C ATOM 160 C LEU A 12 15.642 -13.608 -11.782 1.00 0.00 C ATOM 161 O LEU A 12 16.499 -13.109 -11.052 1.00 0.00 O ATOM 162 CB LEU A 12 13.501 -13.610 -10.490 1.00 0.00 C ATOM 163 CG LEU A 12 12.062 -14.127 -10.503 1.00 0.00 C ATOM 164 CD1 LEU A 12 11.201 -13.335 -9.530 1.00 0.00 C ATOM 165 CD2 LEU A 12 11.483 -14.058 -11.908 1.00 0.00 C ATOM 0 H LEU A 12 14.944 -15.256 -9.298 1.00 0.00 H new ATOM 0 HA LEU A 12 14.049 -15.013 -12.024 1.00 0.00 H new ATOM 0 HB2 LEU A 12 13.813 -13.488 -9.453 1.00 0.00 H new ATOM 0 HB3 LEU A 12 13.514 -12.620 -10.946 1.00 0.00 H new ATOM 0 HG LEU A 12 12.068 -15.170 -10.185 1.00 0.00 H new ATOM 0 HD11 LEU A 12 10.180 -13.717 -9.553 1.00 0.00 H new ATOM 0 HD12 LEU A 12 11.604 -13.436 -8.522 1.00 0.00 H new ATOM 0 HD13 LEU A 12 11.201 -12.283 -9.817 1.00 0.00 H new ATOM 0 HD21 LEU A 12 10.458 -14.430 -11.898 1.00 0.00 H new ATOM 0 HD22 LEU A 12 11.490 -13.024 -12.254 1.00 0.00 H new ATOM 0 HD23 LEU A 12 12.085 -14.670 -12.580 1.00 0.00 H new ATOM 177 N THR A 13 15.619 -13.425 -13.099 1.00 0.00 N ATOM 178 CA THR A 13 16.620 -12.610 -13.775 1.00 0.00 C ATOM 179 C THR A 13 15.982 -11.397 -14.442 1.00 0.00 C ATOM 180 O THR A 13 14.768 -11.350 -14.634 1.00 0.00 O ATOM 181 CB THR A 13 17.382 -13.424 -14.838 1.00 0.00 C ATOM 182 OG1 THR A 13 18.383 -12.608 -15.456 1.00 0.00 O ATOM 183 CG2 THR A 13 16.429 -13.956 -15.898 1.00 0.00 C ATOM 0 H THR A 13 14.917 -13.831 -13.718 1.00 0.00 H new ATOM 0 HA THR A 13 17.322 -12.274 -13.012 1.00 0.00 H new ATOM 0 HB THR A 13 17.859 -14.270 -14.343 1.00 0.00 H new ATOM 0 HG1 THR A 13 18.864 -13.134 -16.129 1.00 0.00 H new ATOM 0 HG21 THR A 13 16.990 -14.527 -16.638 1.00 0.00 H new ATOM 0 HG22 THR A 13 15.686 -14.601 -15.429 1.00 0.00 H new ATOM 0 HG23 THR A 13 15.928 -13.122 -16.388 1.00 0.00 H new ATOM 191 N GLU A 14 16.810 -10.417 -14.792 1.00 0.00 N ATOM 192 CA GLU A 14 16.325 -9.203 -15.438 1.00 0.00 C ATOM 193 C GLU A 14 15.605 -9.530 -16.742 1.00 0.00 C ATOM 194 O GLU A 14 14.719 -8.794 -17.176 1.00 0.00 O ATOM 195 CB GLU A 14 17.486 -8.244 -15.710 1.00 0.00 C ATOM 196 CG GLU A 14 18.435 -8.731 -16.792 1.00 0.00 C ATOM 197 CD GLU A 14 18.009 -8.295 -18.181 1.00 0.00 C ATOM 198 OE1 GLU A 14 17.508 -7.160 -18.318 1.00 0.00 O ATOM 199 OE2 GLU A 14 18.176 -9.090 -19.130 1.00 0.00 O ATOM 0 H GLU A 14 17.818 -10.440 -14.639 1.00 0.00 H new ATOM 0 HA GLU A 14 15.617 -8.722 -14.763 1.00 0.00 H new ATOM 0 HB2 GLU A 14 17.084 -7.273 -16.000 1.00 0.00 H new ATOM 0 HB3 GLU A 14 18.046 -8.094 -14.787 1.00 0.00 H new ATOM 0 HG2 GLU A 14 19.437 -8.353 -16.588 1.00 0.00 H new ATOM 0 HG3 GLU A 14 18.491 -9.819 -16.758 1.00 0.00 H new ATOM 206 N GLU A 15 15.993 -10.640 -17.363 1.00 0.00 N ATOM 207 CA GLU A 15 15.385 -11.064 -18.619 1.00 0.00 C ATOM 208 C GLU A 15 13.930 -11.471 -18.409 1.00 0.00 C ATOM 209 O GLU A 15 13.058 -11.136 -19.210 1.00 0.00 O ATOM 210 CB GLU A 15 16.171 -12.230 -19.223 1.00 0.00 C ATOM 211 CG GLU A 15 16.095 -12.293 -20.740 1.00 0.00 C ATOM 212 CD GLU A 15 16.987 -11.267 -21.412 1.00 0.00 C ATOM 213 OE1 GLU A 15 18.219 -11.336 -21.223 1.00 0.00 O ATOM 214 OE2 GLU A 15 16.451 -10.394 -22.126 1.00 0.00 O ATOM 0 H GLU A 15 16.725 -11.261 -17.017 1.00 0.00 H new ATOM 0 HA GLU A 15 15.412 -10.221 -19.309 1.00 0.00 H new ATOM 0 HB2 GLU A 15 17.216 -12.147 -18.923 1.00 0.00 H new ATOM 0 HB3 GLU A 15 15.793 -13.165 -18.809 1.00 0.00 H new ATOM 0 HG2 GLU A 15 16.380 -13.291 -21.073 1.00 0.00 H new ATOM 0 HG3 GLU A 15 15.064 -12.134 -21.055 1.00 0.00 H new ATOM 221 N MET A 16 13.675 -12.198 -17.326 1.00 0.00 N ATOM 222 CA MET A 16 12.326 -12.651 -17.009 1.00 0.00 C ATOM 223 C MET A 16 11.398 -11.466 -16.761 1.00 0.00 C ATOM 224 O MET A 16 10.201 -11.534 -17.041 1.00 0.00 O ATOM 225 CB MET A 16 12.346 -13.564 -15.782 1.00 0.00 C ATOM 226 CG MET A 16 12.353 -15.045 -16.125 1.00 0.00 C ATOM 227 SD MET A 16 11.867 -16.082 -14.733 1.00 0.00 S ATOM 228 CE MET A 16 13.313 -17.127 -14.568 1.00 0.00 C ATOM 0 H MET A 16 14.385 -12.486 -16.653 1.00 0.00 H new ATOM 0 HA MET A 16 11.949 -13.212 -17.864 1.00 0.00 H new ATOM 0 HB2 MET A 16 13.227 -13.334 -15.183 1.00 0.00 H new ATOM 0 HB3 MET A 16 11.475 -13.347 -15.164 1.00 0.00 H new ATOM 0 HG2 MET A 16 11.676 -15.224 -16.960 1.00 0.00 H new ATOM 0 HG3 MET A 16 13.351 -15.333 -16.456 1.00 0.00 H new ATOM 0 HE1 MET A 16 13.001 -18.165 -14.454 1.00 0.00 H new ATOM 0 HE2 MET A 16 13.935 -17.031 -15.458 1.00 0.00 H new ATOM 0 HE3 MET A 16 13.885 -16.822 -13.692 1.00 0.00 H new ATOM 238 N ILE A 17 11.959 -10.382 -16.236 1.00 0.00 N ATOM 239 CA ILE A 17 11.181 -9.182 -15.952 1.00 0.00 C ATOM 240 C ILE A 17 10.575 -8.605 -17.226 1.00 0.00 C ATOM 241 O ILE A 17 9.394 -8.262 -17.262 1.00 0.00 O ATOM 242 CB ILE A 17 12.042 -8.101 -15.271 1.00 0.00 C ATOM 243 CG1 ILE A 17 12.818 -8.701 -14.096 1.00 0.00 C ATOM 244 CG2 ILE A 17 11.170 -6.947 -14.803 1.00 0.00 C ATOM 245 CD1 ILE A 17 11.937 -9.402 -13.086 1.00 0.00 C ATOM 0 H ILE A 17 12.948 -10.310 -15.999 1.00 0.00 H new ATOM 0 HA ILE A 17 10.381 -9.478 -15.274 1.00 0.00 H new ATOM 0 HB ILE A 17 12.759 -7.718 -15.997 1.00 0.00 H new ATOM 0 HG12 ILE A 17 13.552 -9.410 -14.480 1.00 0.00 H new ATOM 0 HG13 ILE A 17 13.372 -7.908 -13.594 1.00 0.00 H new ATOM 0 HG21 ILE A 17 11.793 -6.191 -14.324 1.00 0.00 H new ATOM 0 HG22 ILE A 17 10.659 -6.507 -15.659 1.00 0.00 H new ATOM 0 HG23 ILE A 17 10.432 -7.314 -14.090 1.00 0.00 H new ATOM 0 HD11 ILE A 17 12.554 -9.803 -12.281 1.00 0.00 H new ATOM 0 HD12 ILE A 17 11.220 -8.692 -12.674 1.00 0.00 H new ATOM 0 HD13 ILE A 17 11.402 -10.217 -13.573 1.00 0.00 H new ATOM 257 N GLN A 18 11.391 -8.504 -18.270 1.00 0.00 N ATOM 258 CA GLN A 18 10.934 -7.970 -19.548 1.00 0.00 C ATOM 259 C GLN A 18 9.789 -8.805 -20.109 1.00 0.00 C ATOM 260 O GLN A 18 8.832 -8.269 -20.671 1.00 0.00 O ATOM 261 CB GLN A 18 12.090 -7.928 -20.550 1.00 0.00 C ATOM 262 CG GLN A 18 11.913 -6.882 -21.639 1.00 0.00 C ATOM 263 CD GLN A 18 12.893 -7.059 -22.782 1.00 0.00 C ATOM 264 OE1 GLN A 18 14.084 -7.282 -22.565 1.00 0.00 O ATOM 265 NE2 GLN A 18 12.395 -6.960 -24.009 1.00 0.00 N ATOM 0 H GLN A 18 12.372 -8.785 -18.256 1.00 0.00 H new ATOM 0 HA GLN A 18 10.571 -6.956 -19.380 1.00 0.00 H new ATOM 0 HB2 GLN A 18 13.018 -7.729 -20.014 1.00 0.00 H new ATOM 0 HB3 GLN A 18 12.194 -8.909 -21.013 1.00 0.00 H new ATOM 0 HG2 GLN A 18 10.895 -6.935 -22.026 1.00 0.00 H new ATOM 0 HG3 GLN A 18 12.039 -5.889 -21.208 1.00 0.00 H new ATOM 0 HE21 GLN A 18 11.401 -6.774 -24.143 1.00 0.00 H new ATOM 0 HE22 GLN A 18 13.006 -7.070 -24.818 1.00 0.00 H new ATOM 274 N LEU A 19 9.891 -10.121 -19.953 1.00 0.00 N ATOM 275 CA LEU A 19 8.863 -11.032 -20.445 1.00 0.00 C ATOM 276 C LEU A 19 7.530 -10.774 -19.750 1.00 0.00 C ATOM 277 O LEU A 19 6.467 -10.879 -20.364 1.00 0.00 O ATOM 278 CB LEU A 19 9.293 -12.483 -20.226 1.00 0.00 C ATOM 279 CG LEU A 19 10.308 -13.041 -21.225 1.00 0.00 C ATOM 280 CD1 LEU A 19 10.959 -14.301 -20.677 1.00 0.00 C ATOM 281 CD2 LEU A 19 9.639 -13.322 -22.562 1.00 0.00 C ATOM 0 H LEU A 19 10.675 -10.581 -19.490 1.00 0.00 H new ATOM 0 HA LEU A 19 8.735 -10.855 -21.513 1.00 0.00 H new ATOM 0 HB2 LEU A 19 9.714 -12.569 -19.224 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.403 -13.112 -20.253 1.00 0.00 H new ATOM 0 HG LEU A 19 11.086 -12.294 -21.380 1.00 0.00 H new ATOM 0 HD11 LEU A 19 11.678 -14.684 -21.401 1.00 0.00 H new ATOM 0 HD12 LEU A 19 11.472 -14.069 -19.744 1.00 0.00 H new ATOM 0 HD13 LEU A 19 10.194 -15.055 -20.492 1.00 0.00 H new ATOM 0 HD21 LEU A 19 10.375 -13.718 -23.261 1.00 0.00 H new ATOM 0 HD22 LEU A 19 8.841 -14.051 -22.423 1.00 0.00 H new ATOM 0 HD23 LEU A 19 9.221 -12.398 -22.961 1.00 0.00 H new ATOM 293 N LEU A 20 7.593 -10.434 -18.468 1.00 0.00 N ATOM 294 CA LEU A 20 6.391 -10.158 -17.689 1.00 0.00 C ATOM 295 C LEU A 20 5.758 -8.837 -18.114 1.00 0.00 C ATOM 296 O LEU A 20 4.540 -8.741 -18.269 1.00 0.00 O ATOM 297 CB LEU A 20 6.723 -10.121 -16.197 1.00 0.00 C ATOM 298 CG LEU A 20 7.062 -11.464 -15.551 1.00 0.00 C ATOM 299 CD1 LEU A 20 8.011 -11.269 -14.378 1.00 0.00 C ATOM 300 CD2 LEU A 20 5.794 -12.175 -15.100 1.00 0.00 C ATOM 0 H LEU A 20 8.464 -10.343 -17.945 1.00 0.00 H new ATOM 0 HA LEU A 20 5.676 -10.959 -17.875 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.567 -9.447 -16.050 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.874 -9.690 -15.667 1.00 0.00 H new ATOM 0 HG LEU A 20 7.559 -12.087 -16.295 1.00 0.00 H new ATOM 0 HD11 LEU A 20 8.241 -12.236 -13.931 1.00 0.00 H new ATOM 0 HD12 LEU A 20 8.932 -10.803 -14.729 1.00 0.00 H new ATOM 0 HD13 LEU A 20 7.541 -10.627 -13.633 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.055 -13.129 -14.643 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.269 -11.556 -14.373 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.149 -12.350 -15.961 1.00 0.00 H new ATOM 312 N ARG A 21 6.593 -7.821 -18.304 1.00 0.00 N ATOM 313 CA ARG A 21 6.116 -6.505 -18.712 1.00 0.00 C ATOM 314 C ARG A 21 5.474 -6.565 -20.096 1.00 0.00 C ATOM 315 O ARG A 21 4.586 -5.774 -20.414 1.00 0.00 O ATOM 316 CB ARG A 21 7.268 -5.499 -18.717 1.00 0.00 C ATOM 317 CG ARG A 21 6.850 -4.092 -18.324 1.00 0.00 C ATOM 318 CD ARG A 21 8.021 -3.298 -17.765 1.00 0.00 C ATOM 319 NE ARG A 21 7.616 -1.968 -17.318 1.00 0.00 N ATOM 320 CZ ARG A 21 7.318 -0.973 -18.147 1.00 0.00 C ATOM 321 NH1 ARG A 21 7.378 -1.158 -19.458 1.00 0.00 N ATOM 322 NH2 ARG A 21 6.959 0.209 -17.664 1.00 0.00 N ATOM 0 H ARG A 21 7.604 -7.884 -18.182 1.00 0.00 H new ATOM 0 HA ARG A 21 5.363 -6.181 -17.993 1.00 0.00 H new ATOM 0 HB2 ARG A 21 8.043 -5.843 -18.032 1.00 0.00 H new ATOM 0 HB3 ARG A 21 7.712 -5.472 -19.712 1.00 0.00 H new ATOM 0 HG2 ARG A 21 6.441 -3.577 -19.193 1.00 0.00 H new ATOM 0 HG3 ARG A 21 6.055 -4.142 -17.580 1.00 0.00 H new ATOM 0 HD2 ARG A 21 8.463 -3.842 -16.930 1.00 0.00 H new ATOM 0 HD3 ARG A 21 8.793 -3.204 -18.529 1.00 0.00 H new ATOM 0 HE ARG A 21 7.559 -1.793 -16.315 1.00 0.00 H new ATOM 0 HH11 ARG A 21 7.653 -2.066 -19.833 1.00 0.00 H new ATOM 0 HH12 ARG A 21 7.149 -0.393 -20.092 1.00 0.00 H new ATOM 0 HH21 ARG A 21 6.912 0.355 -16.656 1.00 0.00 H new ATOM 0 HH22 ARG A 21 6.730 0.972 -18.301 1.00 0.00 H new ATOM 336 N SER A 22 5.930 -7.508 -20.914 1.00 0.00 N ATOM 337 CA SER A 22 5.404 -7.668 -22.264 1.00 0.00 C ATOM 338 C SER A 22 3.962 -8.164 -22.230 1.00 0.00 C ATOM 339 O SER A 22 3.190 -7.929 -23.161 1.00 0.00 O ATOM 340 CB SER A 22 6.272 -8.646 -23.060 1.00 0.00 C ATOM 341 OG SER A 22 7.353 -7.976 -23.685 1.00 0.00 O ATOM 0 H SER A 22 6.663 -8.173 -20.665 1.00 0.00 H new ATOM 0 HA SER A 22 5.424 -6.694 -22.753 1.00 0.00 H new ATOM 0 HB2 SER A 22 6.655 -9.421 -22.396 1.00 0.00 H new ATOM 0 HB3 SER A 22 5.664 -9.145 -23.815 1.00 0.00 H new ATOM 0 HG SER A 22 7.893 -8.623 -24.186 1.00 0.00 H new ATOM 347 N HIS A 23 3.604 -8.850 -21.149 1.00 0.00 N ATOM 348 CA HIS A 23 2.253 -9.379 -20.992 1.00 0.00 C ATOM 349 C HIS A 23 1.363 -8.383 -20.255 1.00 0.00 C ATOM 350 O HIS A 23 0.273 -8.729 -19.799 1.00 0.00 O ATOM 351 CB HIS A 23 2.288 -10.707 -20.235 1.00 0.00 C ATOM 352 CG HIS A 23 2.662 -11.876 -21.093 1.00 0.00 C ATOM 353 ND1 HIS A 23 2.895 -13.137 -20.586 1.00 0.00 N ATOM 354 CD2 HIS A 23 2.842 -11.970 -22.431 1.00 0.00 C ATOM 355 CE1 HIS A 23 3.203 -13.956 -21.576 1.00 0.00 C ATOM 356 NE2 HIS A 23 3.177 -13.273 -22.706 1.00 0.00 N ATOM 0 H HIS A 23 4.230 -9.053 -20.369 1.00 0.00 H new ATOM 0 HA HIS A 23 1.836 -9.547 -21.985 1.00 0.00 H new ATOM 0 HB2 HIS A 23 2.999 -10.628 -19.413 1.00 0.00 H new ATOM 0 HB3 HIS A 23 1.308 -10.890 -19.793 1.00 0.00 H new ATOM 0 HD2 HIS A 23 2.741 -11.169 -23.149 1.00 0.00 H new ATOM 0 HE1 HIS A 23 3.436 -15.006 -21.478 1.00 0.00 H new ATOM 0 HE2 HIS A 23 3.374 -13.652 -23.632 1.00 0.00 H new ATOM 364 N ARG A 24 1.834 -7.145 -20.143 1.00 0.00 N ATOM 365 CA ARG A 24 1.081 -6.100 -19.461 1.00 0.00 C ATOM 366 C ARG A 24 0.722 -6.528 -18.041 1.00 0.00 C ATOM 367 O ARG A 24 -0.264 -6.059 -17.471 1.00 0.00 O ATOM 368 CB ARG A 24 -0.192 -5.766 -20.241 1.00 0.00 C ATOM 369 CG ARG A 24 0.055 -4.906 -21.470 1.00 0.00 C ATOM 370 CD ARG A 24 -0.029 -3.424 -21.139 1.00 0.00 C ATOM 371 NE ARG A 24 -0.257 -2.609 -22.329 1.00 0.00 N ATOM 372 CZ ARG A 24 0.674 -2.373 -23.247 1.00 0.00 C ATOM 373 NH1 ARG A 24 1.888 -2.887 -23.112 1.00 0.00 N ATOM 374 NH2 ARG A 24 0.390 -1.622 -24.303 1.00 0.00 N ATOM 0 H ARG A 24 2.734 -6.842 -20.516 1.00 0.00 H new ATOM 0 HA ARG A 24 1.709 -5.211 -19.407 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -0.674 -6.694 -20.548 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -0.888 -5.249 -19.580 1.00 0.00 H new ATOM 0 HG2 ARG A 24 1.038 -5.133 -21.882 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.677 -5.150 -22.239 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -0.836 -3.257 -20.426 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.895 -3.108 -20.655 1.00 0.00 H new ATOM 0 HE ARG A 24 -1.181 -2.199 -22.463 1.00 0.00 H new ATOM 0 HH11 ARG A 24 2.110 -3.466 -22.302 1.00 0.00 H new ATOM 0 HH12 ARG A 24 2.601 -2.704 -23.818 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -0.544 -1.225 -24.411 1.00 0.00 H new ATOM 0 HH22 ARG A 24 1.105 -1.441 -25.007 1.00 0.00 H new ATOM 388 N ILE A 25 1.528 -7.420 -17.476 1.00 0.00 N ATOM 389 CA ILE A 25 1.295 -7.911 -16.123 1.00 0.00 C ATOM 390 C ILE A 25 1.191 -6.758 -15.130 1.00 0.00 C ATOM 391 O ILE A 25 1.841 -5.724 -15.291 1.00 0.00 O ATOM 392 CB ILE A 25 2.416 -8.864 -15.669 1.00 0.00 C ATOM 393 CG1 ILE A 25 2.498 -10.071 -16.606 1.00 0.00 C ATOM 394 CG2 ILE A 25 2.179 -9.315 -14.235 1.00 0.00 C ATOM 395 CD1 ILE A 25 1.306 -10.997 -16.506 1.00 0.00 C ATOM 0 H ILE A 25 2.348 -7.818 -17.934 1.00 0.00 H new ATOM 0 HA ILE A 25 0.351 -8.456 -16.144 1.00 0.00 H new ATOM 0 HB ILE A 25 3.366 -8.331 -15.709 1.00 0.00 H new ATOM 0 HG12 ILE A 25 2.588 -9.718 -17.633 1.00 0.00 H new ATOM 0 HG13 ILE A 25 3.404 -10.633 -16.382 1.00 0.00 H new ATOM 0 HG21 ILE A 25 2.980 -9.988 -13.928 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.164 -8.445 -13.578 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.223 -9.835 -14.170 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.433 -11.829 -17.198 1.00 0.00 H new ATOM 0 HD12 ILE A 25 1.227 -11.380 -15.489 1.00 0.00 H new ATOM 0 HD13 ILE A 25 0.398 -10.450 -16.759 1.00 0.00 H new ATOM 407 N LYS A 26 0.370 -6.941 -14.102 1.00 0.00 N ATOM 408 CA LYS A 26 0.182 -5.919 -13.080 1.00 0.00 C ATOM 409 C LYS A 26 1.210 -6.070 -11.963 1.00 0.00 C ATOM 410 O LYS A 26 2.136 -6.876 -12.062 1.00 0.00 O ATOM 411 CB LYS A 26 -1.232 -6.001 -12.500 1.00 0.00 C ATOM 412 CG LYS A 26 -2.100 -4.803 -12.843 1.00 0.00 C ATOM 413 CD LYS A 26 -1.579 -3.532 -12.193 1.00 0.00 C ATOM 414 CE LYS A 26 -2.426 -2.326 -12.569 1.00 0.00 C ATOM 415 NZ LYS A 26 -1.953 -1.687 -13.828 1.00 0.00 N ATOM 0 H LYS A 26 -0.177 -7.789 -13.954 1.00 0.00 H new ATOM 0 HA LYS A 26 0.320 -4.944 -13.548 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -1.715 -6.906 -12.868 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -1.166 -6.093 -11.416 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -2.131 -4.673 -13.925 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.123 -4.988 -12.515 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -1.575 -3.651 -11.110 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -0.547 -3.362 -12.499 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -3.465 -2.634 -12.686 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -2.399 -1.597 -11.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -2.556 -0.869 -14.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -0.970 -1.370 -13.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -2.002 -2.375 -14.606 1.00 0.00 H new ATOM 429 N THR A 27 1.041 -5.291 -10.899 1.00 0.00 N ATOM 430 CA THR A 27 1.954 -5.339 -9.764 1.00 0.00 C ATOM 431 C THR A 27 1.783 -6.632 -8.975 1.00 0.00 C ATOM 432 O THR A 27 0.990 -7.497 -9.347 1.00 0.00 O ATOM 433 CB THR A 27 1.738 -4.142 -8.819 1.00 0.00 C ATOM 434 OG1 THR A 27 0.349 -4.022 -8.490 1.00 0.00 O ATOM 435 CG2 THR A 27 2.226 -2.851 -9.460 1.00 0.00 C ATOM 0 H THR A 27 0.280 -4.619 -10.800 1.00 0.00 H new ATOM 0 HA THR A 27 2.965 -5.295 -10.169 1.00 0.00 H new ATOM 0 HB THR A 27 2.313 -4.317 -7.910 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.250 -3.915 -7.521 1.00 0.00 H new ATOM 0 HG21 THR A 27 2.063 -2.020 -8.774 1.00 0.00 H new ATOM 0 HG22 THR A 27 3.290 -2.935 -9.682 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.675 -2.672 -10.384 1.00 0.00 H new ATOM 443 N VAL A 28 2.530 -6.757 -7.883 1.00 0.00 N ATOM 444 CA VAL A 28 2.460 -7.945 -7.040 1.00 0.00 C ATOM 445 C VAL A 28 1.013 -8.324 -6.746 1.00 0.00 C ATOM 446 O VAL A 28 0.696 -9.496 -6.542 1.00 0.00 O ATOM 447 CB VAL A 28 3.205 -7.733 -5.709 1.00 0.00 C ATOM 448 CG1 VAL A 28 4.707 -7.676 -5.941 1.00 0.00 C ATOM 449 CG2 VAL A 28 2.716 -6.468 -5.020 1.00 0.00 C ATOM 0 H VAL A 28 3.191 -6.050 -7.561 1.00 0.00 H new ATOM 0 HA VAL A 28 2.940 -8.754 -7.591 1.00 0.00 H new ATOM 0 HB VAL A 28 2.994 -8.580 -5.056 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.217 -7.526 -4.989 1.00 0.00 H new ATOM 0 HG12 VAL A 28 5.042 -8.612 -6.388 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.940 -6.849 -6.612 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.253 -6.334 -4.081 1.00 0.00 H new ATOM 0 HG22 VAL A 28 2.895 -5.609 -5.667 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.648 -6.553 -4.818 1.00 0.00 H new ATOM 459 N VAL A 29 0.137 -7.324 -6.724 1.00 0.00 N ATOM 460 CA VAL A 29 -1.277 -7.553 -6.455 1.00 0.00 C ATOM 461 C VAL A 29 -1.862 -8.575 -7.423 1.00 0.00 C ATOM 462 O VAL A 29 -2.618 -9.461 -7.025 1.00 0.00 O ATOM 463 CB VAL A 29 -2.086 -6.245 -6.555 1.00 0.00 C ATOM 464 CG1 VAL A 29 -1.644 -5.261 -5.483 1.00 0.00 C ATOM 465 CG2 VAL A 29 -1.943 -5.636 -7.942 1.00 0.00 C ATOM 0 H VAL A 29 0.382 -6.348 -6.889 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.348 -7.939 -5.438 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.139 -6.475 -6.391 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.226 -4.343 -5.569 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.803 -5.700 -4.498 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.586 -5.033 -5.612 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.520 -4.713 -7.995 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.893 -5.419 -8.138 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.313 -6.339 -8.688 1.00 0.00 H new ATOM 475 N ASP A 30 -1.507 -8.446 -8.697 1.00 0.00 N ATOM 476 CA ASP A 30 -1.996 -9.359 -9.723 1.00 0.00 C ATOM 477 C ASP A 30 -1.348 -10.733 -9.581 1.00 0.00 C ATOM 478 O ASP A 30 -2.003 -11.762 -9.755 1.00 0.00 O ATOM 479 CB ASP A 30 -1.717 -8.792 -11.116 1.00 0.00 C ATOM 480 CG ASP A 30 -1.905 -9.825 -12.210 1.00 0.00 C ATOM 481 OD1 ASP A 30 -2.865 -10.618 -12.117 1.00 0.00 O ATOM 482 OD2 ASP A 30 -1.093 -9.839 -13.159 1.00 0.00 O ATOM 0 H ASP A 30 -0.882 -7.718 -9.043 1.00 0.00 H new ATOM 0 HA ASP A 30 -3.073 -9.469 -9.593 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -2.380 -7.947 -11.301 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.697 -8.410 -11.152 1.00 0.00 H new ATOM 487 N LEU A 31 -0.058 -10.743 -9.264 1.00 0.00 N ATOM 488 CA LEU A 31 0.680 -11.991 -9.099 1.00 0.00 C ATOM 489 C LEU A 31 -0.018 -12.908 -8.100 1.00 0.00 C ATOM 490 O LEU A 31 -0.152 -14.109 -8.333 1.00 0.00 O ATOM 491 CB LEU A 31 2.108 -11.703 -8.633 1.00 0.00 C ATOM 492 CG LEU A 31 3.155 -12.761 -8.986 1.00 0.00 C ATOM 493 CD1 LEU A 31 3.249 -12.935 -10.494 1.00 0.00 C ATOM 494 CD2 LEU A 31 4.510 -12.384 -8.406 1.00 0.00 C ATOM 0 H LEU A 31 0.499 -9.901 -9.116 1.00 0.00 H new ATOM 0 HA LEU A 31 0.714 -12.495 -10.065 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.424 -10.751 -9.061 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.097 -11.578 -7.550 1.00 0.00 H new ATOM 0 HG LEU A 31 2.846 -13.711 -8.549 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.999 -13.691 -10.727 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.282 -13.250 -10.885 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.534 -11.988 -10.952 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.243 -13.148 -8.667 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.826 -11.424 -8.814 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.434 -12.310 -7.321 1.00 0.00 H new ATOM 506 N VAL A 32 -0.463 -12.333 -6.987 1.00 0.00 N ATOM 507 CA VAL A 32 -1.151 -13.099 -5.954 1.00 0.00 C ATOM 508 C VAL A 32 -2.338 -13.860 -6.533 1.00 0.00 C ATOM 509 O VAL A 32 -2.586 -15.011 -6.173 1.00 0.00 O ATOM 510 CB VAL A 32 -1.645 -12.186 -4.816 1.00 0.00 C ATOM 511 CG1 VAL A 32 -2.413 -12.994 -3.780 1.00 0.00 C ATOM 512 CG2 VAL A 32 -0.476 -11.454 -4.174 1.00 0.00 C ATOM 0 H VAL A 32 -0.360 -11.340 -6.778 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.429 -13.810 -5.552 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.321 -11.442 -5.237 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.755 -12.333 -2.983 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.274 -13.467 -4.253 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -1.762 -13.761 -3.361 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -0.844 -10.814 -3.372 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.227 -12.180 -3.765 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.027 -10.844 -4.924 1.00 0.00 H new ATOM 522 N SER A 33 -3.070 -13.209 -7.432 1.00 0.00 N ATOM 523 CA SER A 33 -4.234 -13.824 -8.059 1.00 0.00 C ATOM 524 C SER A 33 -3.840 -14.556 -9.337 1.00 0.00 C ATOM 525 O SER A 33 -4.667 -15.212 -9.970 1.00 0.00 O ATOM 526 CB SER A 33 -5.291 -12.763 -8.371 1.00 0.00 C ATOM 527 OG SER A 33 -6.359 -12.817 -7.441 1.00 0.00 O ATOM 0 H SER A 33 -2.878 -12.257 -7.742 1.00 0.00 H new ATOM 0 HA SER A 33 -4.651 -14.549 -7.360 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.835 -11.773 -8.348 1.00 0.00 H new ATOM 0 HB3 SER A 33 -5.675 -12.914 -9.380 1.00 0.00 H new ATOM 0 HG SER A 33 -7.020 -12.128 -7.662 1.00 0.00 H new ATOM 533 N ALA A 34 -2.570 -14.439 -9.711 1.00 0.00 N ATOM 534 CA ALA A 34 -2.064 -15.091 -10.912 1.00 0.00 C ATOM 535 C ALA A 34 -1.675 -16.539 -10.629 1.00 0.00 C ATOM 536 O ALA A 34 -1.894 -17.046 -9.529 1.00 0.00 O ATOM 537 CB ALA A 34 -0.874 -14.323 -11.468 1.00 0.00 C ATOM 0 H ALA A 34 -1.873 -13.898 -9.199 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.861 -15.095 -11.656 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.506 -14.821 -12.365 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -1.181 -13.307 -11.717 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.081 -14.290 -10.721 1.00 0.00 H new ATOM 543 N ASP A 35 -1.099 -17.198 -11.629 1.00 0.00 N ATOM 544 CA ASP A 35 -0.680 -18.587 -11.487 1.00 0.00 C ATOM 545 C ASP A 35 0.815 -18.677 -11.195 1.00 0.00 C ATOM 546 O ASP A 35 1.568 -19.301 -11.944 1.00 0.00 O ATOM 547 CB ASP A 35 -1.013 -19.375 -12.755 1.00 0.00 C ATOM 548 CG ASP A 35 -2.389 -19.043 -13.298 1.00 0.00 C ATOM 549 OD1 ASP A 35 -2.545 -17.960 -13.900 1.00 0.00 O ATOM 550 OD2 ASP A 35 -3.310 -19.867 -13.122 1.00 0.00 O ATOM 0 H ASP A 35 -0.912 -16.792 -12.546 1.00 0.00 H new ATOM 0 HA ASP A 35 -1.223 -19.020 -10.647 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -0.264 -19.164 -13.518 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -0.958 -20.442 -12.541 1.00 0.00 H new ATOM 555 N LEU A 36 1.238 -18.049 -10.104 1.00 0.00 N ATOM 556 CA LEU A 36 2.643 -18.056 -9.713 1.00 0.00 C ATOM 557 C LEU A 36 3.161 -19.484 -9.569 1.00 0.00 C ATOM 558 O LEU A 36 4.303 -19.778 -9.918 1.00 0.00 O ATOM 559 CB LEU A 36 2.831 -17.298 -8.398 1.00 0.00 C ATOM 560 CG LEU A 36 4.217 -16.694 -8.164 1.00 0.00 C ATOM 561 CD1 LEU A 36 5.264 -17.791 -8.050 1.00 0.00 C ATOM 562 CD2 LEU A 36 4.574 -15.727 -9.283 1.00 0.00 C ATOM 0 H LEU A 36 0.628 -17.528 -9.474 1.00 0.00 H new ATOM 0 HA LEU A 36 3.215 -17.559 -10.496 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.095 -16.495 -8.356 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.609 -17.977 -7.575 1.00 0.00 H new ATOM 0 HG LEU A 36 4.197 -16.140 -7.226 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.244 -17.343 -7.884 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.017 -18.444 -7.213 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.283 -18.373 -8.971 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.563 -15.307 -9.099 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.576 -16.257 -10.235 1.00 0.00 H new ATOM 0 HD23 LEU A 36 3.839 -14.923 -9.317 1.00 0.00 H new ATOM 574 N GLU A 37 2.311 -20.367 -9.053 1.00 0.00 N ATOM 575 CA GLU A 37 2.683 -21.764 -8.864 1.00 0.00 C ATOM 576 C GLU A 37 2.967 -22.437 -10.204 1.00 0.00 C ATOM 577 O GLU A 37 3.840 -23.299 -10.304 1.00 0.00 O ATOM 578 CB GLU A 37 1.571 -22.516 -8.129 1.00 0.00 C ATOM 579 CG GLU A 37 0.192 -22.307 -8.733 1.00 0.00 C ATOM 580 CD GLU A 37 -0.747 -21.566 -7.801 1.00 0.00 C ATOM 581 OE1 GLU A 37 -1.372 -22.223 -6.942 1.00 0.00 O ATOM 582 OE2 GLU A 37 -0.856 -20.329 -7.929 1.00 0.00 O ATOM 0 H GLU A 37 1.361 -20.140 -8.759 1.00 0.00 H new ATOM 0 HA GLU A 37 3.591 -21.793 -8.262 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.802 -23.581 -8.131 1.00 0.00 H new ATOM 0 HB3 GLU A 37 1.554 -22.196 -7.087 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.288 -21.749 -9.665 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.241 -23.275 -8.984 1.00 0.00 H new ATOM 589 N GLU A 38 2.223 -22.036 -11.230 1.00 0.00 N ATOM 590 CA GLU A 38 2.395 -22.602 -12.564 1.00 0.00 C ATOM 591 C GLU A 38 3.655 -22.056 -13.228 1.00 0.00 C ATOM 592 O GLU A 38 4.463 -22.812 -13.768 1.00 0.00 O ATOM 593 CB GLU A 38 1.173 -22.296 -13.433 1.00 0.00 C ATOM 594 CG GLU A 38 0.083 -23.350 -13.343 1.00 0.00 C ATOM 595 CD GLU A 38 0.364 -24.557 -14.217 1.00 0.00 C ATOM 596 OE1 GLU A 38 0.016 -24.515 -15.415 1.00 0.00 O ATOM 597 OE2 GLU A 38 0.933 -25.543 -13.703 1.00 0.00 O ATOM 0 H GLU A 38 1.497 -21.323 -11.164 1.00 0.00 H new ATOM 0 HA GLU A 38 2.498 -23.682 -12.462 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.760 -21.332 -13.137 1.00 0.00 H new ATOM 0 HB3 GLU A 38 1.491 -22.202 -14.471 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.020 -23.673 -12.307 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.869 -22.908 -13.636 1.00 0.00 H new ATOM 604 N VAL A 39 3.816 -20.737 -13.186 1.00 0.00 N ATOM 605 CA VAL A 39 4.977 -20.088 -13.783 1.00 0.00 C ATOM 606 C VAL A 39 6.261 -20.493 -13.068 1.00 0.00 C ATOM 607 O VAL A 39 7.290 -20.723 -13.701 1.00 0.00 O ATOM 608 CB VAL A 39 4.844 -18.554 -13.746 1.00 0.00 C ATOM 609 CG1 VAL A 39 6.011 -17.900 -14.469 1.00 0.00 C ATOM 610 CG2 VAL A 39 3.519 -18.121 -14.355 1.00 0.00 C ATOM 0 H VAL A 39 3.156 -20.097 -12.744 1.00 0.00 H new ATOM 0 HA VAL A 39 5.023 -20.416 -14.821 1.00 0.00 H new ATOM 0 HB VAL A 39 4.864 -18.229 -12.706 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.900 -16.816 -14.433 1.00 0.00 H new ATOM 0 HG12 VAL A 39 6.945 -18.186 -13.985 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.025 -18.229 -15.508 1.00 0.00 H new ATOM 0 HG21 VAL A 39 3.441 -17.034 -14.321 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.468 -18.456 -15.391 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.698 -18.562 -13.790 1.00 0.00 H new ATOM 620 N ALA A 40 6.192 -20.579 -11.743 1.00 0.00 N ATOM 621 CA ALA A 40 7.348 -20.959 -10.941 1.00 0.00 C ATOM 622 C ALA A 40 7.833 -22.358 -11.305 1.00 0.00 C ATOM 623 O ALA A 40 9.034 -22.629 -11.299 1.00 0.00 O ATOM 624 CB ALA A 40 7.010 -20.885 -9.459 1.00 0.00 C ATOM 0 H ALA A 40 5.348 -20.391 -11.203 1.00 0.00 H new ATOM 0 HA ALA A 40 8.154 -20.256 -11.154 1.00 0.00 H new ATOM 0 HB1 ALA A 40 7.883 -21.171 -8.872 1.00 0.00 H new ATOM 0 HB2 ALA A 40 6.719 -19.866 -9.203 1.00 0.00 H new ATOM 0 HB3 ALA A 40 6.186 -21.564 -9.239 1.00 0.00 H new ATOM 630 N GLN A 41 6.892 -23.242 -11.621 1.00 0.00 N ATOM 631 CA GLN A 41 7.226 -24.614 -11.987 1.00 0.00 C ATOM 632 C GLN A 41 7.968 -24.657 -13.318 1.00 0.00 C ATOM 633 O GLN A 41 8.993 -25.328 -13.448 1.00 0.00 O ATOM 634 CB GLN A 41 5.957 -25.464 -12.069 1.00 0.00 C ATOM 635 CG GLN A 41 5.532 -26.054 -10.734 1.00 0.00 C ATOM 636 CD GLN A 41 4.227 -26.819 -10.822 1.00 0.00 C ATOM 637 OE1 GLN A 41 3.721 -27.083 -11.914 1.00 0.00 O ATOM 638 NE2 GLN A 41 3.673 -27.181 -9.671 1.00 0.00 N ATOM 0 H GLN A 41 5.894 -23.033 -11.631 1.00 0.00 H new ATOM 0 HA GLN A 41 7.879 -25.021 -11.215 1.00 0.00 H new ATOM 0 HB2 GLN A 41 5.145 -24.852 -12.461 1.00 0.00 H new ATOM 0 HB3 GLN A 41 6.118 -26.274 -12.780 1.00 0.00 H new ATOM 0 HG2 GLN A 41 6.315 -26.719 -10.370 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.430 -25.252 -10.003 1.00 0.00 H new ATOM 0 HE21 GLN A 41 4.126 -26.942 -8.789 1.00 0.00 H new ATOM 0 HE22 GLN A 41 2.794 -27.699 -9.669 1.00 0.00 H new ATOM 647 N LYS A 42 7.445 -23.938 -14.305 1.00 0.00 N ATOM 648 CA LYS A 42 8.058 -23.893 -15.628 1.00 0.00 C ATOM 649 C LYS A 42 9.393 -23.156 -15.584 1.00 0.00 C ATOM 650 O LYS A 42 10.389 -23.622 -16.138 1.00 0.00 O ATOM 651 CB LYS A 42 7.119 -23.210 -16.625 1.00 0.00 C ATOM 652 CG LYS A 42 5.788 -23.922 -16.792 1.00 0.00 C ATOM 653 CD LYS A 42 4.880 -23.185 -17.762 1.00 0.00 C ATOM 654 CE LYS A 42 3.451 -23.704 -17.691 1.00 0.00 C ATOM 655 NZ LYS A 42 2.510 -22.843 -18.460 1.00 0.00 N ATOM 0 H LYS A 42 6.597 -23.378 -14.214 1.00 0.00 H new ATOM 0 HA LYS A 42 8.239 -24.918 -15.952 1.00 0.00 H new ATOM 0 HB2 LYS A 42 6.936 -22.187 -16.297 1.00 0.00 H new ATOM 0 HB3 LYS A 42 7.614 -23.150 -17.594 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.960 -24.936 -17.152 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.295 -24.006 -15.823 1.00 0.00 H new ATOM 0 HD2 LYS A 42 4.893 -22.119 -17.536 1.00 0.00 H new ATOM 0 HD3 LYS A 42 5.260 -23.300 -18.777 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.414 -24.721 -18.081 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.133 -23.750 -16.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 1.547 -23.230 -18.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.526 -21.878 -18.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.799 -22.819 -19.459 1.00 0.00 H new ATOM 669 N CYS A 43 9.406 -22.005 -14.920 1.00 0.00 N ATOM 670 CA CYS A 43 10.620 -21.204 -14.803 1.00 0.00 C ATOM 671 C CYS A 43 11.651 -21.904 -13.924 1.00 0.00 C ATOM 672 O CYS A 43 12.853 -21.682 -14.063 1.00 0.00 O ATOM 673 CB CYS A 43 10.292 -19.826 -14.227 1.00 0.00 C ATOM 674 SG CYS A 43 9.240 -18.812 -15.292 1.00 0.00 S ATOM 0 H CYS A 43 8.591 -21.606 -14.455 1.00 0.00 H new ATOM 0 HA CYS A 43 11.043 -21.082 -15.800 1.00 0.00 H new ATOM 0 HB2 CYS A 43 9.799 -19.955 -13.264 1.00 0.00 H new ATOM 0 HB3 CYS A 43 11.223 -19.292 -14.039 1.00 0.00 H new ATOM 0 HG CYS A 43 9.769 -17.632 -15.428 1.00 0.00 H new ATOM 680 N GLY A 44 11.171 -22.751 -13.018 1.00 0.00 N ATOM 681 CA GLY A 44 12.064 -23.469 -12.128 1.00 0.00 C ATOM 682 C GLY A 44 12.415 -22.669 -10.889 1.00 0.00 C ATOM 683 O GLY A 44 13.482 -22.855 -10.302 1.00 0.00 O ATOM 0 H GLY A 44 10.180 -22.952 -12.885 1.00 0.00 H new ATOM 0 HA2 GLY A 44 11.597 -24.408 -11.830 1.00 0.00 H new ATOM 0 HA3 GLY A 44 12.979 -23.723 -12.664 1.00 0.00 H new ATOM 687 N LEU A 45 11.517 -21.775 -10.490 1.00 0.00 N ATOM 688 CA LEU A 45 11.737 -20.942 -9.313 1.00 0.00 C ATOM 689 C LEU A 45 11.164 -21.603 -8.063 1.00 0.00 C ATOM 690 O LEU A 45 10.471 -22.616 -8.147 1.00 0.00 O ATOM 691 CB LEU A 45 11.102 -19.565 -9.512 1.00 0.00 C ATOM 692 CG LEU A 45 11.288 -18.933 -10.892 1.00 0.00 C ATOM 693 CD1 LEU A 45 10.459 -17.665 -11.015 1.00 0.00 C ATOM 694 CD2 LEU A 45 12.759 -18.638 -11.150 1.00 0.00 C ATOM 0 H LEU A 45 10.630 -21.608 -10.964 1.00 0.00 H new ATOM 0 HA LEU A 45 12.812 -20.823 -9.179 1.00 0.00 H new ATOM 0 HB2 LEU A 45 10.033 -19.648 -9.313 1.00 0.00 H new ATOM 0 HB3 LEU A 45 11.513 -18.886 -8.765 1.00 0.00 H new ATOM 0 HG LEU A 45 10.943 -19.642 -11.644 1.00 0.00 H new ATOM 0 HD11 LEU A 45 10.604 -17.230 -12.004 1.00 0.00 H new ATOM 0 HD12 LEU A 45 9.405 -17.905 -10.875 1.00 0.00 H new ATOM 0 HD13 LEU A 45 10.772 -16.950 -10.254 1.00 0.00 H new ATOM 0 HD21 LEU A 45 12.872 -18.189 -12.137 1.00 0.00 H new ATOM 0 HD22 LEU A 45 13.130 -17.948 -10.392 1.00 0.00 H new ATOM 0 HD23 LEU A 45 13.329 -19.566 -11.106 1.00 0.00 H new ATOM 706 N SER A 46 11.457 -21.020 -6.905 1.00 0.00 N ATOM 707 CA SER A 46 10.973 -21.553 -5.637 1.00 0.00 C ATOM 708 C SER A 46 9.729 -20.803 -5.172 1.00 0.00 C ATOM 709 O SER A 46 9.809 -19.653 -4.739 1.00 0.00 O ATOM 710 CB SER A 46 12.066 -21.462 -4.570 1.00 0.00 C ATOM 711 OG SER A 46 12.895 -22.611 -4.591 1.00 0.00 O ATOM 0 H SER A 46 12.027 -20.179 -6.819 1.00 0.00 H new ATOM 0 HA SER A 46 10.710 -22.600 -5.788 1.00 0.00 H new ATOM 0 HB2 SER A 46 12.670 -20.571 -4.739 1.00 0.00 H new ATOM 0 HB3 SER A 46 11.610 -21.356 -3.586 1.00 0.00 H new ATOM 0 HG SER A 46 13.747 -22.408 -4.152 1.00 0.00 H new ATOM 717 N TYR A 47 8.579 -21.461 -5.266 1.00 0.00 N ATOM 718 CA TYR A 47 7.316 -20.857 -4.857 1.00 0.00 C ATOM 719 C TYR A 47 7.325 -20.531 -3.367 1.00 0.00 C ATOM 720 O TYR A 47 6.632 -19.620 -2.914 1.00 0.00 O ATOM 721 CB TYR A 47 6.151 -21.793 -5.180 1.00 0.00 C ATOM 722 CG TYR A 47 4.819 -21.305 -4.654 1.00 0.00 C ATOM 723 CD1 TYR A 47 4.408 -21.606 -3.362 1.00 0.00 C ATOM 724 CD2 TYR A 47 3.972 -20.545 -5.451 1.00 0.00 C ATOM 725 CE1 TYR A 47 3.192 -21.164 -2.877 1.00 0.00 C ATOM 726 CE2 TYR A 47 2.755 -20.097 -4.974 1.00 0.00 C ATOM 727 CZ TYR A 47 2.370 -20.409 -3.687 1.00 0.00 C ATOM 728 OH TYR A 47 1.158 -19.966 -3.210 1.00 0.00 O ATOM 0 H TYR A 47 8.495 -22.413 -5.622 1.00 0.00 H new ATOM 0 HA TYR A 47 7.190 -19.927 -5.412 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.083 -21.915 -6.261 1.00 0.00 H new ATOM 0 HB3 TYR A 47 6.359 -22.777 -4.761 1.00 0.00 H new ATOM 0 HD1 TYR A 47 5.050 -22.196 -2.725 1.00 0.00 H new ATOM 0 HD2 TYR A 47 4.270 -20.300 -6.460 1.00 0.00 H new ATOM 0 HE1 TYR A 47 2.887 -21.408 -1.870 1.00 0.00 H new ATOM 0 HE2 TYR A 47 2.109 -19.506 -5.606 1.00 0.00 H new ATOM 0 HH TYR A 47 0.702 -19.447 -3.906 1.00 0.00 H new ATOM 738 N LYS A 48 8.115 -21.283 -2.609 1.00 0.00 N ATOM 739 CA LYS A 48 8.218 -21.076 -1.169 1.00 0.00 C ATOM 740 C LYS A 48 8.669 -19.652 -0.855 1.00 0.00 C ATOM 741 O LYS A 48 8.210 -19.045 0.112 1.00 0.00 O ATOM 742 CB LYS A 48 9.199 -22.079 -0.557 1.00 0.00 C ATOM 743 CG LYS A 48 10.526 -22.158 -1.292 1.00 0.00 C ATOM 744 CD LYS A 48 11.529 -23.017 -0.541 1.00 0.00 C ATOM 745 CE LYS A 48 12.784 -23.259 -1.366 1.00 0.00 C ATOM 746 NZ LYS A 48 12.649 -24.456 -2.242 1.00 0.00 N ATOM 0 H LYS A 48 8.694 -22.042 -2.968 1.00 0.00 H new ATOM 0 HA LYS A 48 7.231 -21.231 -0.734 1.00 0.00 H new ATOM 0 HB2 LYS A 48 9.384 -21.806 0.482 1.00 0.00 H new ATOM 0 HB3 LYS A 48 8.738 -23.067 -0.549 1.00 0.00 H new ATOM 0 HG2 LYS A 48 10.367 -22.570 -2.289 1.00 0.00 H new ATOM 0 HG3 LYS A 48 10.931 -21.154 -1.423 1.00 0.00 H new ATOM 0 HD2 LYS A 48 11.797 -22.530 0.396 1.00 0.00 H new ATOM 0 HD3 LYS A 48 11.071 -23.972 -0.284 1.00 0.00 H new ATOM 0 HE2 LYS A 48 12.991 -22.382 -1.979 1.00 0.00 H new ATOM 0 HE3 LYS A 48 13.637 -23.391 -0.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 13.415 -25.128 -2.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 11.731 -24.912 -2.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 12.707 -24.165 -3.239 1.00 0.00 H new ATOM 760 N ALA A 49 9.569 -19.126 -1.679 1.00 0.00 N ATOM 761 CA ALA A 49 10.078 -17.773 -1.491 1.00 0.00 C ATOM 762 C ALA A 49 8.944 -16.753 -1.506 1.00 0.00 C ATOM 763 O ALA A 49 8.935 -15.808 -0.716 1.00 0.00 O ATOM 764 CB ALA A 49 11.104 -17.441 -2.565 1.00 0.00 C ATOM 0 H ALA A 49 9.961 -19.616 -2.483 1.00 0.00 H new ATOM 0 HA ALA A 49 10.562 -17.725 -0.515 1.00 0.00 H new ATOM 0 HB1 ALA A 49 11.476 -16.428 -2.412 1.00 0.00 H new ATOM 0 HB2 ALA A 49 11.934 -18.145 -2.505 1.00 0.00 H new ATOM 0 HB3 ALA A 49 10.638 -17.512 -3.548 1.00 0.00 H new ATOM 770 N LEU A 50 7.990 -16.949 -2.409 1.00 0.00 N ATOM 771 CA LEU A 50 6.851 -16.045 -2.528 1.00 0.00 C ATOM 772 C LEU A 50 5.964 -16.122 -1.290 1.00 0.00 C ATOM 773 O LEU A 50 5.401 -15.119 -0.852 1.00 0.00 O ATOM 774 CB LEU A 50 6.035 -16.383 -3.776 1.00 0.00 C ATOM 775 CG LEU A 50 5.314 -15.211 -4.444 1.00 0.00 C ATOM 776 CD1 LEU A 50 4.293 -14.602 -3.495 1.00 0.00 C ATOM 777 CD2 LEU A 50 6.315 -14.159 -4.900 1.00 0.00 C ATOM 0 H LEU A 50 7.982 -17.726 -3.070 1.00 0.00 H new ATOM 0 HA LEU A 50 7.233 -15.028 -2.616 1.00 0.00 H new ATOM 0 HB2 LEU A 50 6.701 -16.839 -4.509 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.293 -17.135 -3.508 1.00 0.00 H new ATOM 0 HG LEU A 50 4.786 -15.586 -5.321 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.790 -13.770 -3.987 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.558 -15.358 -3.218 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.799 -14.242 -2.599 1.00 0.00 H new ATOM 0 HD21 LEU A 50 5.784 -13.333 -5.373 1.00 0.00 H new ATOM 0 HD22 LEU A 50 6.871 -13.788 -4.039 1.00 0.00 H new ATOM 0 HD23 LEU A 50 7.008 -14.602 -5.615 1.00 0.00 H new ATOM 789 N VAL A 51 5.845 -17.321 -0.727 1.00 0.00 N ATOM 790 CA VAL A 51 5.029 -17.529 0.463 1.00 0.00 C ATOM 791 C VAL A 51 5.494 -16.640 1.611 1.00 0.00 C ATOM 792 O VAL A 51 4.680 -16.079 2.344 1.00 0.00 O ATOM 793 CB VAL A 51 5.067 -19.000 0.920 1.00 0.00 C ATOM 794 CG1 VAL A 51 4.199 -19.199 2.153 1.00 0.00 C ATOM 795 CG2 VAL A 51 4.625 -19.919 -0.208 1.00 0.00 C ATOM 0 H VAL A 51 6.304 -18.163 -1.076 1.00 0.00 H new ATOM 0 HA VAL A 51 4.006 -17.266 0.195 1.00 0.00 H new ATOM 0 HB VAL A 51 6.094 -19.254 1.184 1.00 0.00 H new ATOM 0 HG11 VAL A 51 4.238 -20.244 2.461 1.00 0.00 H new ATOM 0 HG12 VAL A 51 4.566 -18.568 2.962 1.00 0.00 H new ATOM 0 HG13 VAL A 51 3.169 -18.928 1.921 1.00 0.00 H new ATOM 0 HG21 VAL A 51 4.658 -20.954 0.132 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.607 -19.667 -0.505 1.00 0.00 H new ATOM 0 HG23 VAL A 51 5.293 -19.796 -1.061 1.00 0.00 H new ATOM 805 N ALA A 52 6.808 -16.515 1.760 1.00 0.00 N ATOM 806 CA ALA A 52 7.382 -15.691 2.817 1.00 0.00 C ATOM 807 C ALA A 52 6.901 -14.248 2.710 1.00 0.00 C ATOM 808 O ALA A 52 6.546 -13.625 3.712 1.00 0.00 O ATOM 809 CB ALA A 52 8.901 -15.749 2.765 1.00 0.00 C ATOM 0 H ALA A 52 7.496 -16.974 1.162 1.00 0.00 H new ATOM 0 HA ALA A 52 7.047 -16.088 3.776 1.00 0.00 H new ATOM 0 HB1 ALA A 52 9.316 -15.129 3.560 1.00 0.00 H new ATOM 0 HB2 ALA A 52 9.231 -16.779 2.899 1.00 0.00 H new ATOM 0 HB3 ALA A 52 9.246 -15.380 1.799 1.00 0.00 H new ATOM 815 N LEU A 53 6.894 -13.721 1.491 1.00 0.00 N ATOM 816 CA LEU A 53 6.457 -12.349 1.253 1.00 0.00 C ATOM 817 C LEU A 53 5.006 -12.158 1.682 1.00 0.00 C ATOM 818 O LEU A 53 4.675 -11.195 2.375 1.00 0.00 O ATOM 819 CB LEU A 53 6.615 -11.992 -0.226 1.00 0.00 C ATOM 820 CG LEU A 53 8.038 -11.683 -0.693 1.00 0.00 C ATOM 821 CD1 LEU A 53 8.224 -12.094 -2.145 1.00 0.00 C ATOM 822 CD2 LEU A 53 8.350 -10.205 -0.511 1.00 0.00 C ATOM 0 H LEU A 53 7.186 -14.222 0.652 1.00 0.00 H new ATOM 0 HA LEU A 53 7.083 -11.685 1.849 1.00 0.00 H new ATOM 0 HB2 LEU A 53 6.230 -12.819 -0.822 1.00 0.00 H new ATOM 0 HB3 LEU A 53 5.988 -11.126 -0.439 1.00 0.00 H new ATOM 0 HG LEU A 53 8.733 -12.258 -0.082 1.00 0.00 H new ATOM 0 HD11 LEU A 53 9.242 -11.867 -2.460 1.00 0.00 H new ATOM 0 HD12 LEU A 53 8.043 -13.164 -2.246 1.00 0.00 H new ATOM 0 HD13 LEU A 53 7.520 -11.546 -2.771 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.367 -10.004 -0.849 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.649 -9.610 -1.096 1.00 0.00 H new ATOM 0 HD23 LEU A 53 8.258 -9.941 0.543 1.00 0.00 H new ATOM 834 N ARG A 54 4.145 -13.081 1.267 1.00 0.00 N ATOM 835 CA ARG A 54 2.729 -13.014 1.609 1.00 0.00 C ATOM 836 C ARG A 54 2.534 -13.023 3.123 1.00 0.00 C ATOM 837 O ARG A 54 1.748 -12.243 3.661 1.00 0.00 O ATOM 838 CB ARG A 54 1.975 -14.188 0.981 1.00 0.00 C ATOM 839 CG ARG A 54 1.613 -13.967 -0.479 1.00 0.00 C ATOM 840 CD ARG A 54 1.162 -15.259 -1.143 1.00 0.00 C ATOM 841 NE ARG A 54 0.158 -15.961 -0.348 1.00 0.00 N ATOM 842 CZ ARG A 54 -1.100 -15.553 -0.227 1.00 0.00 C ATOM 843 NH1 ARG A 54 -1.506 -14.454 -0.846 1.00 0.00 N ATOM 844 NH2 ARG A 54 -1.955 -16.246 0.515 1.00 0.00 N ATOM 0 H ARG A 54 4.403 -13.884 0.693 1.00 0.00 H new ATOM 0 HA ARG A 54 2.329 -12.080 1.214 1.00 0.00 H new ATOM 0 HB2 ARG A 54 2.586 -15.087 1.063 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.063 -14.369 1.550 1.00 0.00 H new ATOM 0 HG2 ARG A 54 0.819 -13.224 -0.550 1.00 0.00 H new ATOM 0 HG3 ARG A 54 2.475 -13.564 -1.012 1.00 0.00 H new ATOM 0 HD2 ARG A 54 0.753 -15.037 -2.129 1.00 0.00 H new ATOM 0 HD3 ARG A 54 2.024 -15.909 -1.294 1.00 0.00 H new ATOM 0 HE ARG A 54 0.438 -16.811 0.141 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -0.852 -13.919 -1.417 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -2.473 -14.143 -0.751 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -1.646 -17.093 0.993 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -2.921 -15.932 0.607 1.00 0.00 H new ATOM 858 N ARG A 55 3.255 -13.910 3.802 1.00 0.00 N ATOM 859 CA ARG A 55 3.160 -14.021 5.252 1.00 0.00 C ATOM 860 C ARG A 55 3.510 -12.696 5.923 1.00 0.00 C ATOM 861 O ARG A 55 2.889 -12.305 6.911 1.00 0.00 O ATOM 862 CB ARG A 55 4.088 -15.124 5.762 1.00 0.00 C ATOM 863 CG ARG A 55 4.066 -15.289 7.273 1.00 0.00 C ATOM 864 CD ARG A 55 5.221 -16.152 7.757 1.00 0.00 C ATOM 865 NE ARG A 55 4.935 -17.577 7.617 1.00 0.00 N ATOM 866 CZ ARG A 55 5.813 -18.534 7.897 1.00 0.00 C ATOM 867 NH1 ARG A 55 7.026 -18.219 8.330 1.00 0.00 N ATOM 868 NH2 ARG A 55 5.478 -19.809 7.745 1.00 0.00 N ATOM 0 H ARG A 55 3.911 -14.562 3.371 1.00 0.00 H new ATOM 0 HA ARG A 55 2.131 -14.276 5.505 1.00 0.00 H new ATOM 0 HB2 ARG A 55 3.805 -16.069 5.298 1.00 0.00 H new ATOM 0 HB3 ARG A 55 5.107 -14.905 5.444 1.00 0.00 H new ATOM 0 HG2 ARG A 55 4.119 -14.309 7.748 1.00 0.00 H new ATOM 0 HG3 ARG A 55 3.121 -15.740 7.577 1.00 0.00 H new ATOM 0 HD2 ARG A 55 6.120 -15.905 7.192 1.00 0.00 H new ATOM 0 HD3 ARG A 55 5.430 -15.925 8.802 1.00 0.00 H new ATOM 0 HE ARG A 55 4.010 -17.853 7.286 1.00 0.00 H new ATOM 0 HH11 ARG A 55 7.287 -17.240 8.449 1.00 0.00 H new ATOM 0 HH12 ARG A 55 7.698 -18.956 8.544 1.00 0.00 H new ATOM 0 HH21 ARG A 55 4.546 -20.055 7.413 1.00 0.00 H new ATOM 0 HH22 ARG A 55 6.153 -20.543 7.960 1.00 0.00 H new ATOM 882 N VAL A 56 4.510 -12.010 5.379 1.00 0.00 N ATOM 883 CA VAL A 56 4.944 -10.729 5.925 1.00 0.00 C ATOM 884 C VAL A 56 3.888 -9.651 5.702 1.00 0.00 C ATOM 885 O VAL A 56 3.649 -8.812 6.571 1.00 0.00 O ATOM 886 CB VAL A 56 6.271 -10.270 5.292 1.00 0.00 C ATOM 887 CG1 VAL A 56 6.691 -8.919 5.852 1.00 0.00 C ATOM 888 CG2 VAL A 56 7.357 -11.311 5.518 1.00 0.00 C ATOM 0 H VAL A 56 5.035 -12.319 4.561 1.00 0.00 H new ATOM 0 HA VAL A 56 5.091 -10.874 6.995 1.00 0.00 H new ATOM 0 HB VAL A 56 6.122 -10.161 4.218 1.00 0.00 H new ATOM 0 HG11 VAL A 56 7.631 -8.611 5.393 1.00 0.00 H new ATOM 0 HG12 VAL A 56 5.921 -8.179 5.634 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.823 -8.998 6.931 1.00 0.00 H new ATOM 0 HG21 VAL A 56 8.288 -10.970 5.064 1.00 0.00 H new ATOM 0 HG22 VAL A 56 7.506 -11.455 6.588 1.00 0.00 H new ATOM 0 HG23 VAL A 56 7.056 -12.255 5.064 1.00 0.00 H new ATOM 898 N LEU A 57 3.258 -9.681 4.533 1.00 0.00 N ATOM 899 CA LEU A 57 2.226 -8.707 4.195 1.00 0.00 C ATOM 900 C LEU A 57 1.018 -8.852 5.116 1.00 0.00 C ATOM 901 O LEU A 57 0.509 -7.866 5.650 1.00 0.00 O ATOM 902 CB LEU A 57 1.794 -8.877 2.738 1.00 0.00 C ATOM 903 CG LEU A 57 2.508 -7.988 1.718 1.00 0.00 C ATOM 904 CD1 LEU A 57 3.738 -8.691 1.166 1.00 0.00 C ATOM 905 CD2 LEU A 57 1.561 -7.602 0.592 1.00 0.00 C ATOM 0 H LEU A 57 3.444 -10.369 3.803 1.00 0.00 H new ATOM 0 HA LEU A 57 2.645 -7.710 4.329 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.948 -9.918 2.453 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.723 -8.683 2.672 1.00 0.00 H new ATOM 0 HG LEU A 57 2.831 -7.077 2.222 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.233 -8.044 0.442 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.425 -8.916 1.982 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.439 -9.619 0.678 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.086 -6.970 -0.124 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.207 -8.502 0.090 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.711 -7.057 1.002 1.00 0.00 H new ATOM 917 N LEU A 58 0.565 -10.087 5.298 1.00 0.00 N ATOM 918 CA LEU A 58 -0.582 -10.363 6.156 1.00 0.00 C ATOM 919 C LEU A 58 -0.217 -10.186 7.626 1.00 0.00 C ATOM 920 O LEU A 58 -1.044 -9.765 8.435 1.00 0.00 O ATOM 921 CB LEU A 58 -1.096 -11.783 5.914 1.00 0.00 C ATOM 922 CG LEU A 58 -0.069 -12.905 6.073 1.00 0.00 C ATOM 923 CD1 LEU A 58 0.016 -13.347 7.526 1.00 0.00 C ATOM 924 CD2 LEU A 58 -0.421 -14.082 5.175 1.00 0.00 C ATOM 0 H LEU A 58 0.974 -10.914 4.863 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.369 -9.651 5.908 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.920 -11.972 6.602 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.505 -11.833 4.905 1.00 0.00 H new ATOM 0 HG LEU A 58 0.907 -12.524 5.772 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.751 -14.146 7.621 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.316 -12.502 8.146 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.958 -13.710 7.853 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.321 -14.871 5.301 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.406 -14.463 5.444 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.430 -13.756 4.135 1.00 0.00 H new ATOM 936 N ALA A 59 1.027 -10.508 7.965 1.00 0.00 N ATOM 937 CA ALA A 59 1.503 -10.380 9.337 1.00 0.00 C ATOM 938 C ALA A 59 1.357 -8.947 9.837 1.00 0.00 C ATOM 939 O ALA A 59 0.822 -8.710 10.920 1.00 0.00 O ATOM 940 CB ALA A 59 2.953 -10.832 9.436 1.00 0.00 C ATOM 0 H ALA A 59 1.724 -10.860 7.308 1.00 0.00 H new ATOM 0 HA ALA A 59 0.890 -11.021 9.970 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.296 -10.731 10.466 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.031 -11.875 9.128 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.572 -10.214 8.785 1.00 0.00 H new ATOM 946 N GLN A 60 1.838 -7.996 9.043 1.00 0.00 N ATOM 947 CA GLN A 60 1.762 -6.586 9.408 1.00 0.00 C ATOM 948 C GLN A 60 0.343 -6.055 9.234 1.00 0.00 C ATOM 949 O GLN A 60 -0.103 -5.189 9.987 1.00 0.00 O ATOM 950 CB GLN A 60 2.734 -5.765 8.559 1.00 0.00 C ATOM 951 CG GLN A 60 2.440 -5.823 7.069 1.00 0.00 C ATOM 952 CD GLN A 60 3.596 -5.322 6.226 1.00 0.00 C ATOM 953 OE1 GLN A 60 4.753 -5.378 6.642 1.00 0.00 O ATOM 954 NE2 GLN A 60 3.288 -4.829 5.032 1.00 0.00 N ATOM 0 H GLN A 60 2.284 -8.176 8.144 1.00 0.00 H new ATOM 0 HA GLN A 60 2.039 -6.493 10.458 1.00 0.00 H new ATOM 0 HB2 GLN A 60 2.701 -4.726 8.887 1.00 0.00 H new ATOM 0 HB3 GLN A 60 3.748 -6.123 8.735 1.00 0.00 H new ATOM 0 HG2 GLN A 60 2.209 -6.850 6.788 1.00 0.00 H new ATOM 0 HG3 GLN A 60 1.553 -5.227 6.854 1.00 0.00 H new ATOM 0 HE21 GLN A 60 2.315 -4.802 4.727 1.00 0.00 H new ATOM 0 HE22 GLN A 60 4.024 -4.478 4.420 1.00 0.00 H new ATOM 963 N PHE A 61 -0.361 -6.578 8.236 1.00 0.00 N ATOM 964 CA PHE A 61 -1.730 -6.156 7.963 1.00 0.00 C ATOM 965 C PHE A 61 -2.646 -6.486 9.137 1.00 0.00 C ATOM 966 O PHE A 61 -3.454 -5.659 9.561 1.00 0.00 O ATOM 967 CB PHE A 61 -2.249 -6.829 6.690 1.00 0.00 C ATOM 968 CG PHE A 61 -2.157 -5.957 5.471 1.00 0.00 C ATOM 969 CD1 PHE A 61 -0.958 -5.359 5.119 1.00 0.00 C ATOM 970 CD2 PHE A 61 -3.271 -5.735 4.677 1.00 0.00 C ATOM 971 CE1 PHE A 61 -0.870 -4.557 3.997 1.00 0.00 C ATOM 972 CE2 PHE A 61 -3.189 -4.933 3.553 1.00 0.00 C ATOM 973 CZ PHE A 61 -1.987 -4.343 3.214 1.00 0.00 C ATOM 0 H PHE A 61 -0.006 -7.295 7.603 1.00 0.00 H new ATOM 0 HA PHE A 61 -1.729 -5.075 7.820 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -1.683 -7.744 6.516 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -3.288 -7.121 6.841 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -0.082 -5.522 5.729 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -4.213 -6.193 4.939 1.00 0.00 H new ATOM 0 HE1 PHE A 61 0.071 -4.098 3.733 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -4.064 -4.768 2.941 1.00 0.00 H new ATOM 0 HZ PHE A 61 -1.921 -3.715 2.338 1.00 0.00 H new