USER MOD reduce.3.24.130724 H: found=0, std=0, add=905, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 901 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 92 ASN : amide:sc= -5.43! C(o=-5.5!,f=-4.9!) USER MOD Set 1.2: A 93 GLN : amide:sc= -0.0876 K(o=-5.5,f=-4.9) USER MOD Single : A 1 GLY N :NH3+ -97:sc= -0.588 (180deg=-1.4!) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS : no HD1:sc= -2.34 K(o=-2.3,f=-0.99) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -170:sc=-0.00742 (180deg=-0.113) USER MOD Single : A 22 MET CE :methyl -124:sc= -2.11 (180deg=-4.28!) USER MOD Single : A 24 SER OG : rot -65:sc= 0.472 USER MOD Single : A 25 LYS NZ :NH3+ -143:sc= -1.51 (180deg=-3.95!) USER MOD Single : A 26 GLN : amide:sc= -9.6! K(o=-9.6!,f=-1.5) USER MOD Single : A 28 HIS : no HD1:sc= -3.28! C(o=-3.3!,f=-3.5!) USER MOD Single : A 37 SER OG : rot 170:sc= -0.0266 USER MOD Single : A 39 SER OG : rot -63:sc= 0.594 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot -76:sc= -1.7! USER MOD Single : A 49 LYS NZ :NH3+ -158:sc= 1 (180deg=-0.297!) USER MOD Single : A 52 ASN : amide:sc= -0.029 K(o=-0.029,f=-1.6!) USER MOD Single : A 55 GLN : amide:sc= -5.41! C(o=-5.4!,f=-3.7!) USER MOD Single : A 56 HIS : no HD1:sc= -0.883 K(o=-0.88,f=-4.6!) USER MOD Single : A 58 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0936) USER MOD Single : A 66 LYS NZ :NH3+ -146:sc= -2.41! (180deg=-7.65!) USER MOD Single : A 67 TYR OH : rot 63:sc= 0.897 USER MOD Single : A 73 LYS NZ :NH3+ -147:sc= -3! (180deg=-4.37!) USER MOD Single : A 75 ASN : amide:sc= -0.66 K(o=-0.66,f=-5.7!) USER MOD Single : A 76 SER OG : rot -20:sc= 0.165 USER MOD Single : A 78 ASN : amide:sc= -0.109 X(o=-0.11,f=-0.25) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HE2:sc= -3.58 K(o=-3.6,f=-6.3!) USER MOD Single : A 86 SER OG : rot 180:sc= 0.336 USER MOD Single : A 87 THR OG1 : rot 60:sc= -5.37 USER MOD Single : A 88 SER OG : rot -153:sc= -0.557! USER MOD Single : A 90 SER OG : rot 180:sc= -0.576 USER MOD Single : A 94 GLN : amide:sc= -5.09! C(o=-5.1!,f=-4.2!) USER MOD Single : A 102 GLN : amide:sc= -0.0226 X(o=-0.023,f=0) USER MOD Single : A 105 GLN : amide:sc= 0 K(o=0,f=-1!) USER MOD Single : A 106 GLN : amide:sc= -5.44! C(o=-5.4!,f=-4.2!) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 21.359 3.741 10.644 1.00 0.00 N ATOM 2 CA GLY A 1 20.537 3.723 9.438 1.00 0.00 C ATOM 3 C GLY A 1 21.195 4.484 8.284 1.00 0.00 C ATOM 4 O GLY A 1 21.838 3.898 7.421 1.00 0.00 O ATOM 0 H1 GLY A 1 21.913 2.862 10.700 1.00 0.00 H new ATOM 0 H2 GLY A 1 22.005 4.556 10.612 1.00 0.00 H new ATOM 0 H3 GLY A 1 20.746 3.818 11.481 1.00 0.00 H new ATOM 0 HA2 GLY A 1 20.358 2.691 9.136 1.00 0.00 H new ATOM 0 HA3 GLY A 1 19.564 4.164 9.656 1.00 0.00 H new ATOM 10 N ILE A 2 20.995 5.817 8.311 1.00 0.00 N ATOM 11 CA ILE A 2 20.219 6.432 9.374 1.00 0.00 C ATOM 12 C ILE A 2 18.727 6.323 9.048 1.00 0.00 C ATOM 13 O ILE A 2 18.283 6.618 7.945 1.00 0.00 O ATOM 14 CB ILE A 2 20.599 7.909 9.516 1.00 0.00 C ATOM 15 CG1 ILE A 2 22.023 8.096 10.051 1.00 0.00 C ATOM 16 CG2 ILE A 2 19.603 8.617 10.434 1.00 0.00 C ATOM 17 CD1 ILE A 2 23.110 7.703 9.049 1.00 0.00 C ATOM 0 H ILE A 2 21.359 6.468 7.615 1.00 0.00 H new ATOM 0 HA ILE A 2 20.430 5.916 10.310 1.00 0.00 H new ATOM 0 HB ILE A 2 20.565 8.350 8.520 1.00 0.00 H new ATOM 0 HG12 ILE A 2 22.162 9.139 10.334 1.00 0.00 H new ATOM 0 HG13 ILE A 2 22.143 7.501 10.957 1.00 0.00 H new ATOM 0 HG21 ILE A 2 19.880 9.667 10.530 1.00 0.00 H new ATOM 0 HG22 ILE A 2 18.601 8.543 10.010 1.00 0.00 H new ATOM 0 HG23 ILE A 2 19.617 8.147 11.417 1.00 0.00 H new ATOM 0 HD11 ILE A 2 24.091 7.862 9.496 1.00 0.00 H new ATOM 0 HD12 ILE A 2 22.998 6.652 8.784 1.00 0.00 H new ATOM 0 HD13 ILE A 2 23.017 8.315 8.152 1.00 0.00 H new ATOM 29 N GLU A 3 17.993 5.882 10.085 1.00 0.00 N ATOM 30 CA GLU A 3 16.556 5.775 9.913 1.00 0.00 C ATOM 31 C GLU A 3 15.906 5.371 11.238 1.00 0.00 C ATOM 32 O GLU A 3 15.519 4.227 11.447 1.00 0.00 O ATOM 33 CB GLU A 3 16.227 4.738 8.837 1.00 0.00 C ATOM 34 CG GLU A 3 14.716 4.531 8.712 1.00 0.00 C ATOM 35 CD GLU A 3 14.411 3.431 7.693 1.00 0.00 C ATOM 36 OE1 GLU A 3 14.642 2.263 8.003 1.00 0.00 O ATOM 37 OE2 GLU A 3 13.942 3.756 6.604 1.00 0.00 O ATOM 0 H GLU A 3 18.356 5.610 10.999 1.00 0.00 H new ATOM 0 HA GLU A 3 16.165 6.743 9.599 1.00 0.00 H new ATOM 0 HB2 GLU A 3 16.633 5.063 7.879 1.00 0.00 H new ATOM 0 HB3 GLU A 3 16.708 3.791 9.082 1.00 0.00 H new ATOM 0 HG2 GLU A 3 14.298 4.263 9.682 1.00 0.00 H new ATOM 0 HG3 GLU A 3 14.239 5.462 8.405 1.00 0.00 H new ATOM 44 N MET A 4 15.798 6.393 12.104 1.00 0.00 N ATOM 45 CA MET A 4 15.142 6.146 13.372 1.00 0.00 C ATOM 46 C MET A 4 14.137 7.264 13.667 1.00 0.00 C ATOM 47 O MET A 4 14.069 7.798 14.766 1.00 0.00 O ATOM 48 CB MET A 4 16.204 6.070 14.467 1.00 0.00 C ATOM 49 CG MET A 4 15.622 5.647 15.817 1.00 0.00 C ATOM 50 SD MET A 4 16.903 5.534 17.077 1.00 0.00 S ATOM 51 CE MET A 4 15.880 4.912 18.421 1.00 0.00 C ATOM 0 H MET A 4 16.139 7.342 11.952 1.00 0.00 H new ATOM 0 HA MET A 4 14.596 5.203 13.334 1.00 0.00 H new ATOM 0 HB2 MET A 4 16.978 5.362 14.170 1.00 0.00 H new ATOM 0 HB3 MET A 4 16.685 7.043 14.571 1.00 0.00 H new ATOM 0 HG2 MET A 4 14.864 6.365 16.130 1.00 0.00 H new ATOM 0 HG3 MET A 4 15.124 4.683 15.714 1.00 0.00 H new ATOM 0 HE1 MET A 4 16.494 4.771 19.311 1.00 0.00 H new ATOM 0 HE2 MET A 4 15.088 5.629 18.637 1.00 0.00 H new ATOM 0 HE3 MET A 4 15.438 3.959 18.131 1.00 0.00 H new ATOM 61 N LYS A 5 13.376 7.572 12.600 1.00 0.00 N ATOM 62 CA LYS A 5 12.394 8.639 12.688 1.00 0.00 C ATOM 63 C LYS A 5 11.693 8.952 11.345 1.00 0.00 C ATOM 64 O LYS A 5 10.517 9.294 11.348 1.00 0.00 O ATOM 65 CB LYS A 5 12.980 9.920 13.302 1.00 0.00 C ATOM 66 CG LYS A 5 14.188 10.474 12.546 1.00 0.00 C ATOM 67 CD LYS A 5 14.693 11.775 13.171 1.00 0.00 C ATOM 68 CE LYS A 5 15.904 12.333 12.424 1.00 0.00 C ATOM 69 NZ LYS A 5 16.397 13.572 13.015 1.00 0.00 N ATOM 0 H LYS A 5 13.428 7.104 11.695 1.00 0.00 H new ATOM 0 HA LYS A 5 11.626 8.256 13.360 1.00 0.00 H new ATOM 0 HB2 LYS A 5 12.203 10.684 13.335 1.00 0.00 H new ATOM 0 HB3 LYS A 5 13.271 9.717 14.333 1.00 0.00 H new ATOM 0 HG2 LYS A 5 14.989 9.734 12.546 1.00 0.00 H new ATOM 0 HG3 LYS A 5 13.917 10.651 11.505 1.00 0.00 H new ATOM 0 HD2 LYS A 5 13.892 12.514 13.168 1.00 0.00 H new ATOM 0 HD3 LYS A 5 14.959 11.598 14.213 1.00 0.00 H new ATOM 0 HE2 LYS A 5 16.702 11.590 12.424 1.00 0.00 H new ATOM 0 HE3 LYS A 5 15.635 12.512 11.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 17.218 13.912 12.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 15.646 14.291 12.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 16.679 13.398 14.001 1.00 0.00 H new ATOM 83 N PRO A 6 12.419 8.848 10.194 1.00 0.00 N ATOM 84 CA PRO A 6 11.845 9.239 8.908 1.00 0.00 C ATOM 85 C PRO A 6 10.484 8.590 8.589 1.00 0.00 C ATOM 86 O PRO A 6 9.523 8.726 9.336 1.00 0.00 O ATOM 87 CB PRO A 6 12.940 8.883 7.890 1.00 0.00 C ATOM 88 CG PRO A 6 14.238 8.901 8.698 1.00 0.00 C ATOM 89 CD PRO A 6 13.812 8.427 10.086 1.00 0.00 C ATOM 0 HA PRO A 6 11.589 10.299 8.896 1.00 0.00 H new ATOM 0 HB2 PRO A 6 12.764 7.904 7.444 1.00 0.00 H new ATOM 0 HB3 PRO A 6 12.971 9.604 7.073 1.00 0.00 H new ATOM 0 HG2 PRO A 6 14.989 8.241 8.263 1.00 0.00 H new ATOM 0 HG3 PRO A 6 14.673 9.900 8.733 1.00 0.00 H new ATOM 0 HD2 PRO A 6 13.911 7.346 10.186 1.00 0.00 H new ATOM 0 HD3 PRO A 6 14.426 8.876 10.867 1.00 0.00 H new ATOM 97 N HIS A 7 10.453 7.890 7.439 1.00 0.00 N ATOM 98 CA HIS A 7 9.197 7.281 7.043 1.00 0.00 C ATOM 99 C HIS A 7 9.469 5.915 6.392 1.00 0.00 C ATOM 100 O HIS A 7 10.146 5.824 5.375 1.00 0.00 O ATOM 101 CB HIS A 7 8.466 8.196 6.056 1.00 0.00 C ATOM 102 CG HIS A 7 9.315 8.413 4.826 1.00 0.00 C ATOM 103 ND1 HIS A 7 10.247 9.384 4.715 1.00 0.00 N ATOM 104 CD2 HIS A 7 9.292 7.682 3.625 1.00 0.00 C ATOM 105 CE1 HIS A 7 10.775 9.247 3.486 1.00 0.00 C ATOM 106 NE2 HIS A 7 10.219 8.228 2.804 1.00 0.00 N ATOM 0 H HIS A 7 11.241 7.744 6.808 1.00 0.00 H new ATOM 0 HA HIS A 7 8.571 7.138 7.924 1.00 0.00 H new ATOM 0 HB2 HIS A 7 7.511 7.752 5.775 1.00 0.00 H new ATOM 0 HB3 HIS A 7 8.246 9.153 6.529 1.00 0.00 H new ATOM 0 HD2 HIS A 7 8.653 6.841 3.400 1.00 0.00 H new ATOM 0 HE1 HIS A 7 11.555 9.881 3.091 1.00 0.00 H new ATOM 0 HE2 HIS A 7 10.450 7.927 1.857 1.00 0.00 H new ATOM 114 N PRO A 8 8.917 4.850 7.023 1.00 0.00 N ATOM 115 CA PRO A 8 9.101 3.488 6.542 1.00 0.00 C ATOM 116 C PRO A 8 8.220 3.230 5.304 1.00 0.00 C ATOM 117 O PRO A 8 8.378 3.867 4.269 1.00 0.00 O ATOM 118 CB PRO A 8 8.707 2.635 7.755 1.00 0.00 C ATOM 119 CG PRO A 8 7.707 3.490 8.532 1.00 0.00 C ATOM 120 CD PRO A 8 8.124 4.931 8.243 1.00 0.00 C ATOM 0 HA PRO A 8 10.113 3.263 6.205 1.00 0.00 H new ATOM 0 HB2 PRO A 8 8.261 1.690 7.445 1.00 0.00 H new ATOM 0 HB3 PRO A 8 9.577 2.392 8.366 1.00 0.00 H new ATOM 0 HG2 PRO A 8 6.685 3.300 8.205 1.00 0.00 H new ATOM 0 HG3 PRO A 8 7.745 3.273 9.599 1.00 0.00 H new ATOM 0 HD2 PRO A 8 7.255 5.575 8.108 1.00 0.00 H new ATOM 0 HD3 PRO A 8 8.705 5.348 9.066 1.00 0.00 H new ATOM 128 N TRP A 9 7.299 2.261 5.466 1.00 0.00 N ATOM 129 CA TRP A 9 6.444 1.885 4.347 1.00 0.00 C ATOM 130 C TRP A 9 5.530 3.028 3.858 1.00 0.00 C ATOM 131 O TRP A 9 4.750 2.842 2.932 1.00 0.00 O ATOM 132 CB TRP A 9 5.592 0.659 4.707 1.00 0.00 C ATOM 133 CG TRP A 9 4.814 0.884 5.987 1.00 0.00 C ATOM 134 CD1 TRP A 9 5.132 0.338 7.236 1.00 0.00 C ATOM 135 CD2 TRP A 9 3.626 1.680 6.174 1.00 0.00 C ATOM 136 NE1 TRP A 9 4.231 0.741 8.167 1.00 0.00 N ATOM 137 CE2 TRP A 9 3.278 1.567 7.588 1.00 0.00 C ATOM 138 CE3 TRP A 9 2.829 2.467 5.308 1.00 0.00 C ATOM 139 CZ2 TRP A 9 2.144 2.241 8.101 1.00 0.00 C ATOM 140 CZ3 TRP A 9 1.673 3.158 5.825 1.00 0.00 C ATOM 141 CH2 TRP A 9 1.330 3.044 7.223 1.00 0.00 C ATOM 0 H TRP A 9 7.138 1.746 6.332 1.00 0.00 H new ATOM 0 HA TRP A 9 7.117 1.644 3.524 1.00 0.00 H new ATOM 0 HB2 TRP A 9 4.901 0.442 3.892 1.00 0.00 H new ATOM 0 HB3 TRP A 9 6.236 -0.213 4.819 1.00 0.00 H new ATOM 0 HD1 TRP A 9 5.973 -0.311 7.431 1.00 0.00 H new ATOM 0 HE1 TRP A 9 4.251 0.475 9.151 1.00 0.00 H new ATOM 0 HE3 TRP A 9 3.086 2.550 4.262 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 1.889 2.154 9.147 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 1.064 3.760 5.167 1.00 0.00 H new ATOM 0 HH2 TRP A 9 0.464 3.560 7.611 1.00 0.00 H new ATOM 152 N PHE A 10 5.659 4.205 4.501 1.00 0.00 N ATOM 153 CA PHE A 10 4.820 5.299 4.051 1.00 0.00 C ATOM 154 C PHE A 10 5.471 5.999 2.857 1.00 0.00 C ATOM 155 O PHE A 10 6.567 6.540 2.945 1.00 0.00 O ATOM 156 CB PHE A 10 4.621 6.305 5.184 1.00 0.00 C ATOM 157 CG PHE A 10 3.713 7.423 4.766 1.00 0.00 C ATOM 158 CD1 PHE A 10 4.257 8.609 4.155 1.00 0.00 C ATOM 159 CD2 PHE A 10 2.292 7.320 4.972 1.00 0.00 C ATOM 160 CE1 PHE A 10 3.388 9.682 3.752 1.00 0.00 C ATOM 161 CE2 PHE A 10 1.419 8.391 4.570 1.00 0.00 C ATOM 162 CZ PHE A 10 1.969 9.573 3.962 1.00 0.00 C ATOM 0 H PHE A 10 6.291 4.404 5.276 1.00 0.00 H new ATOM 0 HA PHE A 10 3.852 4.898 3.751 1.00 0.00 H new ATOM 0 HB2 PHE A 10 4.202 5.799 6.053 1.00 0.00 H new ATOM 0 HB3 PHE A 10 5.586 6.711 5.486 1.00 0.00 H new ATOM 0 HD1 PHE A 10 5.322 8.693 3.999 1.00 0.00 H new ATOM 0 HD2 PHE A 10 1.879 6.434 5.431 1.00 0.00 H new ATOM 0 HE1 PHE A 10 3.800 10.568 3.292 1.00 0.00 H new ATOM 0 HE2 PHE A 10 0.353 8.308 4.724 1.00 0.00 H new ATOM 0 HZ PHE A 10 1.316 10.379 3.663 1.00 0.00 H new ATOM 172 N PHE A 11 4.714 5.965 1.747 1.00 0.00 N ATOM 173 CA PHE A 11 5.160 6.716 0.593 1.00 0.00 C ATOM 174 C PHE A 11 4.130 7.812 0.321 1.00 0.00 C ATOM 175 O PHE A 11 2.947 7.559 0.127 1.00 0.00 O ATOM 176 CB PHE A 11 5.335 5.790 -0.617 1.00 0.00 C ATOM 177 CG PHE A 11 6.521 4.885 -0.452 1.00 0.00 C ATOM 178 CD1 PHE A 11 6.591 3.950 0.643 1.00 0.00 C ATOM 179 CD2 PHE A 11 7.606 4.949 -1.397 1.00 0.00 C ATOM 180 CE1 PHE A 11 7.733 3.088 0.791 1.00 0.00 C ATOM 181 CE2 PHE A 11 8.750 4.088 -1.252 1.00 0.00 C ATOM 182 CZ PHE A 11 8.812 3.158 -0.157 1.00 0.00 C ATOM 0 H PHE A 11 3.839 5.452 1.637 1.00 0.00 H new ATOM 0 HA PHE A 11 6.132 7.170 0.783 1.00 0.00 H new ATOM 0 HB2 PHE A 11 4.435 5.190 -0.750 1.00 0.00 H new ATOM 0 HB3 PHE A 11 5.456 6.389 -1.520 1.00 0.00 H new ATOM 0 HD1 PHE A 11 5.782 3.896 1.356 1.00 0.00 H new ATOM 0 HD2 PHE A 11 7.561 5.647 -2.220 1.00 0.00 H new ATOM 0 HE1 PHE A 11 7.780 2.389 1.613 1.00 0.00 H new ATOM 0 HE2 PHE A 11 9.560 4.140 -1.964 1.00 0.00 H new ATOM 0 HZ PHE A 11 9.670 2.511 -0.046 1.00 0.00 H new ATOM 192 N GLY A 12 4.665 9.044 0.348 1.00 0.00 N ATOM 193 CA GLY A 12 3.794 10.184 0.138 1.00 0.00 C ATOM 194 C GLY A 12 3.068 10.075 -1.206 1.00 0.00 C ATOM 195 O GLY A 12 2.731 8.995 -1.675 1.00 0.00 O ATOM 0 H GLY A 12 5.649 9.259 0.506 1.00 0.00 H new ATOM 0 HA2 GLY A 12 3.065 10.244 0.946 1.00 0.00 H new ATOM 0 HA3 GLY A 12 4.378 11.104 0.167 1.00 0.00 H new ATOM 199 N LYS A 13 2.852 11.266 -1.789 1.00 0.00 N ATOM 200 CA LYS A 13 2.139 11.263 -3.051 1.00 0.00 C ATOM 201 C LYS A 13 3.058 10.753 -4.163 1.00 0.00 C ATOM 202 O LYS A 13 3.558 11.504 -4.992 1.00 0.00 O ATOM 203 CB LYS A 13 1.619 12.668 -3.359 1.00 0.00 C ATOM 204 CG LYS A 13 2.730 13.719 -3.364 1.00 0.00 C ATOM 205 CD LYS A 13 2.179 15.119 -3.639 1.00 0.00 C ATOM 206 CE LYS A 13 3.284 16.176 -3.642 1.00 0.00 C ATOM 207 NZ LYS A 13 2.771 17.514 -3.906 1.00 0.00 N ATOM 0 H LYS A 13 3.141 12.176 -1.430 1.00 0.00 H new ATOM 0 HA LYS A 13 1.281 10.594 -2.985 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.124 12.663 -4.330 1.00 0.00 H new ATOM 0 HB3 LYS A 13 0.867 12.943 -2.619 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.243 13.712 -2.402 1.00 0.00 H new ATOM 0 HG3 LYS A 13 3.470 13.463 -4.122 1.00 0.00 H new ATOM 0 HD2 LYS A 13 1.668 15.125 -4.602 1.00 0.00 H new ATOM 0 HD3 LYS A 13 1.436 15.372 -2.882 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.793 16.168 -2.678 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.027 15.919 -4.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 3.557 18.195 -3.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 2.308 17.531 -4.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.081 17.773 -3.172 1.00 0.00 H new ATOM 221 N ILE A 14 3.232 9.420 -4.123 1.00 0.00 N ATOM 222 CA ILE A 14 4.056 8.811 -5.145 1.00 0.00 C ATOM 223 C ILE A 14 3.187 8.538 -6.378 1.00 0.00 C ATOM 224 O ILE A 14 2.118 7.948 -6.280 1.00 0.00 O ATOM 225 CB ILE A 14 4.635 7.502 -4.606 1.00 0.00 C ATOM 226 CG1 ILE A 14 5.798 7.022 -5.469 1.00 0.00 C ATOM 227 CG2 ILE A 14 3.552 6.432 -4.504 1.00 0.00 C ATOM 228 CD1 ILE A 14 7.001 7.948 -5.312 1.00 0.00 C ATOM 0 H ILE A 14 2.833 8.786 -3.431 1.00 0.00 H new ATOM 0 HA ILE A 14 4.876 9.474 -5.420 1.00 0.00 H new ATOM 0 HB ILE A 14 5.019 7.690 -3.603 1.00 0.00 H new ATOM 0 HG12 ILE A 14 6.074 6.007 -5.185 1.00 0.00 H new ATOM 0 HG13 ILE A 14 5.492 6.988 -6.515 1.00 0.00 H new ATOM 0 HG21 ILE A 14 3.987 5.510 -4.118 1.00 0.00 H new ATOM 0 HG22 ILE A 14 2.766 6.773 -3.829 1.00 0.00 H new ATOM 0 HG23 ILE A 14 3.128 6.248 -5.491 1.00 0.00 H new ATOM 0 HD11 ILE A 14 7.820 7.589 -5.935 1.00 0.00 H new ATOM 0 HD12 ILE A 14 6.726 8.957 -5.620 1.00 0.00 H new ATOM 0 HD13 ILE A 14 7.317 7.960 -4.269 1.00 0.00 H new ATOM 240 N PRO A 15 3.687 8.995 -7.550 1.00 0.00 N ATOM 241 CA PRO A 15 2.980 8.802 -8.805 1.00 0.00 C ATOM 242 C PRO A 15 2.453 7.377 -8.965 1.00 0.00 C ATOM 243 O PRO A 15 3.199 6.406 -8.944 1.00 0.00 O ATOM 244 CB PRO A 15 4.025 9.126 -9.871 1.00 0.00 C ATOM 245 CG PRO A 15 5.022 10.059 -9.176 1.00 0.00 C ATOM 246 CD PRO A 15 4.964 9.681 -7.693 1.00 0.00 C ATOM 0 HA PRO A 15 2.094 9.433 -8.870 1.00 0.00 H new ATOM 0 HB2 PRO A 15 4.515 8.222 -10.231 1.00 0.00 H new ATOM 0 HB3 PRO A 15 3.570 9.608 -10.736 1.00 0.00 H new ATOM 0 HG2 PRO A 15 6.027 9.928 -9.576 1.00 0.00 H new ATOM 0 HG3 PRO A 15 4.753 11.104 -9.326 1.00 0.00 H new ATOM 0 HD2 PRO A 15 5.797 9.035 -7.413 1.00 0.00 H new ATOM 0 HD3 PRO A 15 5.016 10.563 -7.055 1.00 0.00 H new ATOM 254 N ARG A 16 1.118 7.325 -9.116 1.00 0.00 N ATOM 255 CA ARG A 16 0.475 6.024 -9.214 1.00 0.00 C ATOM 256 C ARG A 16 1.321 5.060 -10.056 1.00 0.00 C ATOM 257 O ARG A 16 1.453 3.883 -9.744 1.00 0.00 O ATOM 258 CB ARG A 16 -0.915 6.182 -9.832 1.00 0.00 C ATOM 259 CG ARG A 16 -1.658 4.848 -9.910 1.00 0.00 C ATOM 260 CD ARG A 16 -3.050 5.006 -10.522 1.00 0.00 C ATOM 261 NE ARG A 16 -3.722 3.721 -10.570 1.00 0.00 N ATOM 262 CZ ARG A 16 -4.378 3.293 -9.476 1.00 0.00 C ATOM 263 NH1 ARG A 16 -4.409 4.039 -8.375 1.00 0.00 N ATOM 264 NH2 ARG A 16 -4.999 2.116 -9.494 1.00 0.00 N ATOM 0 H ARG A 16 0.497 8.132 -9.170 1.00 0.00 H new ATOM 0 HA ARG A 16 0.379 5.606 -8.212 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -1.497 6.888 -9.240 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -0.822 6.605 -10.832 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -1.077 4.143 -10.505 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.747 4.423 -8.910 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.637 5.710 -9.933 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -2.969 5.421 -11.527 1.00 0.00 H new ATOM 0 HE ARG A 16 -3.698 3.153 -11.417 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -3.934 4.941 -8.357 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -4.908 3.709 -7.549 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -4.977 1.541 -10.336 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -5.497 1.789 -8.666 1.00 0.00 H new ATOM 278 N ALA A 17 1.892 5.639 -11.128 1.00 0.00 N ATOM 279 CA ALA A 17 2.760 4.826 -11.955 1.00 0.00 C ATOM 280 C ALA A 17 3.994 4.418 -11.149 1.00 0.00 C ATOM 281 O ALA A 17 4.205 3.252 -10.839 1.00 0.00 O ATOM 282 CB ALA A 17 3.175 5.614 -13.198 1.00 0.00 C ATOM 0 H ALA A 17 1.771 6.609 -11.419 1.00 0.00 H new ATOM 0 HA ALA A 17 2.229 3.928 -12.271 1.00 0.00 H new ATOM 0 HB1 ALA A 17 3.828 4.999 -13.817 1.00 0.00 H new ATOM 0 HB2 ALA A 17 2.287 5.889 -13.768 1.00 0.00 H new ATOM 0 HB3 ALA A 17 3.706 6.517 -12.896 1.00 0.00 H new ATOM 288 N LYS A 18 4.785 5.462 -10.835 1.00 0.00 N ATOM 289 CA LYS A 18 6.016 5.224 -10.098 1.00 0.00 C ATOM 290 C LYS A 18 5.830 4.115 -9.055 1.00 0.00 C ATOM 291 O LYS A 18 6.705 3.285 -8.838 1.00 0.00 O ATOM 292 CB LYS A 18 6.464 6.514 -9.416 1.00 0.00 C ATOM 293 CG LYS A 18 7.826 6.341 -8.748 1.00 0.00 C ATOM 294 CD LYS A 18 8.934 6.091 -9.771 1.00 0.00 C ATOM 295 CE LYS A 18 10.299 5.929 -9.108 1.00 0.00 C ATOM 296 NZ LYS A 18 10.739 7.145 -8.434 1.00 0.00 N ATOM 0 H LYS A 18 4.596 6.436 -11.073 1.00 0.00 H new ATOM 0 HA LYS A 18 6.782 4.899 -10.802 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.516 7.318 -10.150 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.726 6.810 -8.671 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.062 7.233 -8.168 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.784 5.507 -8.047 1.00 0.00 H new ATOM 0 HD2 LYS A 18 8.701 5.194 -10.345 1.00 0.00 H new ATOM 0 HD3 LYS A 18 8.970 6.921 -10.477 1.00 0.00 H new ATOM 0 HE2 LYS A 18 10.255 5.113 -8.387 1.00 0.00 H new ATOM 0 HE3 LYS A 18 11.035 5.648 -9.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 11.734 7.043 -8.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 10.647 7.954 -9.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 10.151 7.307 -7.592 1.00 0.00 H new ATOM 310 N ALA A 19 4.635 4.149 -8.435 1.00 0.00 N ATOM 311 CA ALA A 19 4.345 3.118 -7.459 1.00 0.00 C ATOM 312 C ALA A 19 4.533 1.747 -8.110 1.00 0.00 C ATOM 313 O ALA A 19 5.416 0.974 -7.758 1.00 0.00 O ATOM 314 CB ALA A 19 2.907 3.268 -6.961 1.00 0.00 C ATOM 0 H ALA A 19 3.902 4.842 -8.588 1.00 0.00 H new ATOM 0 HA ALA A 19 5.022 3.213 -6.610 1.00 0.00 H new ATOM 0 HB1 ALA A 19 2.693 2.491 -6.227 1.00 0.00 H new ATOM 0 HB2 ALA A 19 2.782 4.247 -6.499 1.00 0.00 H new ATOM 0 HB3 ALA A 19 2.219 3.173 -7.801 1.00 0.00 H new ATOM 320 N GLU A 20 3.636 1.515 -9.083 1.00 0.00 N ATOM 321 CA GLU A 20 3.709 0.262 -9.809 1.00 0.00 C ATOM 322 C GLU A 20 5.155 -0.036 -10.210 1.00 0.00 C ATOM 323 O GLU A 20 5.641 -1.154 -10.098 1.00 0.00 O ATOM 324 CB GLU A 20 2.850 0.355 -11.070 1.00 0.00 C ATOM 325 CG GLU A 20 1.368 0.541 -10.742 1.00 0.00 C ATOM 326 CD GLU A 20 0.558 0.633 -12.037 1.00 0.00 C ATOM 327 OE1 GLU A 20 1.132 0.995 -13.063 1.00 0.00 O ATOM 328 OE2 GLU A 20 -0.635 0.339 -12.005 1.00 0.00 O ATOM 0 H GLU A 20 2.891 2.151 -9.367 1.00 0.00 H new ATOM 0 HA GLU A 20 3.344 -0.539 -9.166 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.193 1.189 -11.682 1.00 0.00 H new ATOM 0 HB3 GLU A 20 2.979 -0.550 -11.664 1.00 0.00 H new ATOM 0 HG2 GLU A 20 1.012 -0.294 -10.138 1.00 0.00 H new ATOM 0 HG3 GLU A 20 1.228 1.445 -10.150 1.00 0.00 H new ATOM 335 N GLU A 21 5.799 1.037 -10.699 1.00 0.00 N ATOM 336 CA GLU A 21 7.121 0.839 -11.258 1.00 0.00 C ATOM 337 C GLU A 21 8.086 0.315 -10.193 1.00 0.00 C ATOM 338 O GLU A 21 8.408 -0.866 -10.146 1.00 0.00 O ATOM 339 CB GLU A 21 7.622 2.148 -11.865 1.00 0.00 C ATOM 340 CG GLU A 21 6.619 2.703 -12.877 1.00 0.00 C ATOM 341 CD GLU A 21 7.208 3.928 -13.580 1.00 0.00 C ATOM 342 OE1 GLU A 21 7.987 4.646 -12.955 1.00 0.00 O ATOM 343 OE2 GLU A 21 6.885 4.146 -14.746 1.00 0.00 O ATOM 0 H GLU A 21 5.442 1.992 -10.715 1.00 0.00 H new ATOM 0 HA GLU A 21 7.067 0.089 -12.047 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.788 2.879 -11.074 1.00 0.00 H new ATOM 0 HB3 GLU A 21 8.582 1.982 -12.353 1.00 0.00 H new ATOM 0 HG2 GLU A 21 6.369 1.937 -13.611 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.692 2.974 -12.372 1.00 0.00 H new ATOM 350 N MET A 22 8.544 1.267 -9.360 1.00 0.00 N ATOM 351 CA MET A 22 9.554 0.881 -8.394 1.00 0.00 C ATOM 352 C MET A 22 9.083 -0.315 -7.555 1.00 0.00 C ATOM 353 O MET A 22 9.859 -1.200 -7.215 1.00 0.00 O ATOM 354 CB MET A 22 9.871 2.082 -7.505 1.00 0.00 C ATOM 355 CG MET A 22 8.716 2.413 -6.561 1.00 0.00 C ATOM 356 SD MET A 22 8.685 1.297 -5.150 1.00 0.00 S ATOM 357 CE MET A 22 9.872 2.168 -4.116 1.00 0.00 C ATOM 0 H MET A 22 8.248 2.243 -9.341 1.00 0.00 H new ATOM 0 HA MET A 22 10.458 0.571 -8.919 1.00 0.00 H new ATOM 0 HB2 MET A 22 10.768 1.875 -6.922 1.00 0.00 H new ATOM 0 HB3 MET A 22 10.089 2.948 -8.129 1.00 0.00 H new ATOM 0 HG2 MET A 22 8.812 3.441 -6.212 1.00 0.00 H new ATOM 0 HG3 MET A 22 7.772 2.346 -7.101 1.00 0.00 H new ATOM 0 HE1 MET A 22 10.682 1.492 -3.843 1.00 0.00 H new ATOM 0 HE2 MET A 22 10.278 3.018 -4.665 1.00 0.00 H new ATOM 0 HE3 MET A 22 9.376 2.523 -3.213 1.00 0.00 H new ATOM 367 N LEU A 23 7.771 -0.291 -7.250 1.00 0.00 N ATOM 368 CA LEU A 23 7.246 -1.372 -6.436 1.00 0.00 C ATOM 369 C LEU A 23 7.230 -2.708 -7.198 1.00 0.00 C ATOM 370 O LEU A 23 7.368 -3.773 -6.609 1.00 0.00 O ATOM 371 CB LEU A 23 5.835 -1.027 -5.962 1.00 0.00 C ATOM 372 CG LEU A 23 5.301 -2.074 -4.985 1.00 0.00 C ATOM 373 CD1 LEU A 23 6.211 -2.185 -3.761 1.00 0.00 C ATOM 374 CD2 LEU A 23 3.876 -1.735 -4.554 1.00 0.00 C ATOM 0 H LEU A 23 7.102 0.422 -7.539 1.00 0.00 H new ATOM 0 HA LEU A 23 7.905 -1.490 -5.576 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.840 -0.049 -5.481 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.168 -0.956 -6.821 1.00 0.00 H new ATOM 0 HG LEU A 23 5.288 -3.036 -5.496 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.813 -2.936 -3.078 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.212 -2.477 -4.077 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.257 -1.221 -3.254 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.516 -2.493 -3.859 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.866 -0.761 -4.065 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.228 -1.708 -5.430 1.00 0.00 H new ATOM 386 N SER A 24 7.061 -2.596 -8.530 1.00 0.00 N ATOM 387 CA SER A 24 7.112 -3.820 -9.315 1.00 0.00 C ATOM 388 C SER A 24 8.537 -4.401 -9.358 1.00 0.00 C ATOM 389 O SER A 24 8.729 -5.606 -9.470 1.00 0.00 O ATOM 390 CB SER A 24 6.614 -3.554 -10.736 1.00 0.00 C ATOM 391 OG SER A 24 7.397 -2.569 -11.362 1.00 0.00 O ATOM 0 H SER A 24 6.900 -1.731 -9.046 1.00 0.00 H new ATOM 0 HA SER A 24 6.463 -4.553 -8.835 1.00 0.00 H new ATOM 0 HB2 SER A 24 6.648 -4.476 -11.317 1.00 0.00 H new ATOM 0 HB3 SER A 24 5.573 -3.234 -10.707 1.00 0.00 H new ATOM 0 HG SER A 24 7.288 -1.716 -10.891 1.00 0.00 H new ATOM 397 N LYS A 25 9.521 -3.489 -9.256 1.00 0.00 N ATOM 398 CA LYS A 25 10.896 -3.953 -9.264 1.00 0.00 C ATOM 399 C LYS A 25 11.251 -4.658 -7.944 1.00 0.00 C ATOM 400 O LYS A 25 12.380 -4.587 -7.473 1.00 0.00 O ATOM 401 CB LYS A 25 11.812 -2.750 -9.482 1.00 0.00 C ATOM 402 CG LYS A 25 11.384 -1.945 -10.710 1.00 0.00 C ATOM 403 CD LYS A 25 12.120 -0.610 -10.825 1.00 0.00 C ATOM 404 CE LYS A 25 13.573 -0.779 -11.273 1.00 0.00 C ATOM 405 NZ LYS A 25 14.400 -1.431 -10.265 1.00 0.00 N ATOM 0 H LYS A 25 9.390 -2.481 -9.172 1.00 0.00 H new ATOM 0 HA LYS A 25 11.027 -4.677 -10.068 1.00 0.00 H new ATOM 0 HB2 LYS A 25 11.793 -2.110 -8.600 1.00 0.00 H new ATOM 0 HB3 LYS A 25 12.840 -3.090 -9.607 1.00 0.00 H new ATOM 0 HG2 LYS A 25 11.567 -2.535 -11.608 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.311 -1.761 -10.663 1.00 0.00 H new ATOM 0 HD2 LYS A 25 11.596 0.030 -11.535 1.00 0.00 H new ATOM 0 HD3 LYS A 25 12.097 -0.102 -9.861 1.00 0.00 H new ATOM 0 HE2 LYS A 25 13.600 -1.364 -12.193 1.00 0.00 H new ATOM 0 HE3 LYS A 25 13.994 0.199 -11.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 15.350 -1.007 -10.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 13.968 -1.305 -9.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 14.473 -2.446 -10.479 1.00 0.00 H new ATOM 419 N GLN A 26 10.232 -5.334 -7.375 1.00 0.00 N ATOM 420 CA GLN A 26 10.492 -6.027 -6.129 1.00 0.00 C ATOM 421 C GLN A 26 10.528 -7.532 -6.381 1.00 0.00 C ATOM 422 O GLN A 26 9.818 -8.071 -7.222 1.00 0.00 O ATOM 423 CB GLN A 26 9.413 -5.676 -5.107 1.00 0.00 C ATOM 424 CG GLN A 26 9.414 -4.185 -4.786 1.00 0.00 C ATOM 425 CD GLN A 26 10.714 -3.793 -4.085 1.00 0.00 C ATOM 426 OE1 GLN A 26 11.722 -3.485 -4.709 1.00 0.00 O ATOM 427 NE2 GLN A 26 10.603 -3.800 -2.745 1.00 0.00 N ATOM 0 H GLN A 26 9.283 -5.406 -7.741 1.00 0.00 H new ATOM 0 HA GLN A 26 11.458 -5.716 -5.731 1.00 0.00 H new ATOM 0 HB2 GLN A 26 8.436 -5.966 -5.493 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.576 -6.247 -4.193 1.00 0.00 H new ATOM 0 HG2 GLN A 26 9.300 -3.609 -5.704 1.00 0.00 H new ATOM 0 HG3 GLN A 26 8.563 -3.943 -4.150 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.722 -4.071 -2.308 1.00 0.00 H new ATOM 0 HE22 GLN A 26 11.399 -3.534 -2.166 1.00 0.00 H new ATOM 436 N ARG A 27 11.423 -8.160 -5.601 1.00 0.00 N ATOM 437 CA ARG A 27 11.591 -9.592 -5.772 1.00 0.00 C ATOM 438 C ARG A 27 10.417 -10.357 -5.146 1.00 0.00 C ATOM 439 O ARG A 27 10.587 -11.412 -4.548 1.00 0.00 O ATOM 440 CB ARG A 27 12.907 -10.033 -5.130 1.00 0.00 C ATOM 441 CG ARG A 27 14.106 -9.295 -5.726 1.00 0.00 C ATOM 442 CD ARG A 27 15.421 -9.729 -5.079 1.00 0.00 C ATOM 443 NE ARG A 27 16.530 -9.001 -5.668 1.00 0.00 N ATOM 444 CZ ARG A 27 17.786 -9.405 -5.396 1.00 0.00 C ATOM 445 NH1 ARG A 27 17.998 -10.454 -4.606 1.00 0.00 N ATOM 446 NH2 ARG A 27 18.819 -8.752 -5.921 1.00 0.00 N ATOM 0 H ARG A 27 12.006 -7.721 -4.888 1.00 0.00 H new ATOM 0 HA ARG A 27 11.614 -9.817 -6.838 1.00 0.00 H new ATOM 0 HB2 ARG A 27 12.866 -9.852 -4.056 1.00 0.00 H new ATOM 0 HB3 ARG A 27 13.036 -11.107 -5.267 1.00 0.00 H new ATOM 0 HG2 ARG A 27 14.150 -9.481 -6.799 1.00 0.00 H new ATOM 0 HG3 ARG A 27 13.974 -8.221 -5.594 1.00 0.00 H new ATOM 0 HD2 ARG A 27 15.385 -9.546 -4.005 1.00 0.00 H new ATOM 0 HD3 ARG A 27 15.566 -10.801 -5.215 1.00 0.00 H new ATOM 0 HE ARG A 27 16.362 -8.199 -6.276 1.00 0.00 H new ATOM 0 HH11 ARG A 27 17.207 -10.957 -4.203 1.00 0.00 H new ATOM 0 HH12 ARG A 27 18.951 -10.756 -4.403 1.00 0.00 H new ATOM 0 HH21 ARG A 27 18.659 -7.948 -6.528 1.00 0.00 H new ATOM 0 HH22 ARG A 27 19.771 -9.055 -5.717 1.00 0.00 H new ATOM 460 N HIS A 28 9.222 -9.756 -5.314 1.00 0.00 N ATOM 461 CA HIS A 28 8.045 -10.380 -4.741 1.00 0.00 C ATOM 462 C HIS A 28 8.353 -10.841 -3.316 1.00 0.00 C ATOM 463 O HIS A 28 8.785 -11.962 -3.077 1.00 0.00 O ATOM 464 CB HIS A 28 7.619 -11.567 -5.608 1.00 0.00 C ATOM 465 CG HIS A 28 6.324 -12.141 -5.084 1.00 0.00 C ATOM 466 ND1 HIS A 28 5.871 -11.966 -3.824 1.00 0.00 N ATOM 467 CD2 HIS A 28 5.392 -12.928 -5.784 1.00 0.00 C ATOM 468 CE1 HIS A 28 4.700 -12.625 -3.759 1.00 0.00 C ATOM 469 NE2 HIS A 28 4.385 -13.216 -4.927 1.00 0.00 N ATOM 0 H HIS A 28 9.063 -8.883 -5.818 1.00 0.00 H new ATOM 0 HA HIS A 28 7.227 -9.660 -4.708 1.00 0.00 H new ATOM 0 HB2 HIS A 28 7.494 -11.248 -6.643 1.00 0.00 H new ATOM 0 HB3 HIS A 28 8.396 -12.332 -5.602 1.00 0.00 H new ATOM 0 HD2 HIS A 28 5.466 -13.244 -6.814 1.00 0.00 H new ATOM 0 HE1 HIS A 28 4.084 -12.674 -2.873 1.00 0.00 H new ATOM 0 HE2 HIS A 28 3.553 -13.771 -5.126 1.00 0.00 H new ATOM 477 N ASP A 29 8.093 -9.900 -2.390 1.00 0.00 N ATOM 478 CA ASP A 29 8.366 -10.237 -1.006 1.00 0.00 C ATOM 479 C ASP A 29 7.557 -9.353 -0.054 1.00 0.00 C ATOM 480 O ASP A 29 8.032 -8.961 1.005 1.00 0.00 O ATOM 481 CB ASP A 29 9.859 -10.081 -0.716 1.00 0.00 C ATOM 482 CG ASP A 29 10.672 -10.995 -1.634 1.00 0.00 C ATOM 483 OD1 ASP A 29 10.575 -12.212 -1.487 1.00 0.00 O ATOM 484 OD2 ASP A 29 11.397 -10.478 -2.482 1.00 0.00 O ATOM 0 H ASP A 29 7.720 -8.967 -2.567 1.00 0.00 H new ATOM 0 HA ASP A 29 8.071 -11.274 -0.844 1.00 0.00 H new ATOM 0 HB2 ASP A 29 10.160 -9.044 -0.864 1.00 0.00 H new ATOM 0 HB3 ASP A 29 10.062 -10.326 0.326 1.00 0.00 H new ATOM 489 N GLY A 30 6.315 -9.065 -0.483 1.00 0.00 N ATOM 490 CA GLY A 30 5.508 -8.251 0.408 1.00 0.00 C ATOM 491 C GLY A 30 5.808 -6.743 0.292 1.00 0.00 C ATOM 492 O GLY A 30 5.138 -5.927 0.912 1.00 0.00 O ATOM 0 H GLY A 30 5.887 -9.357 -1.362 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.454 -8.423 0.191 1.00 0.00 H new ATOM 0 HA3 GLY A 30 5.678 -8.571 1.436 1.00 0.00 H new ATOM 496 N ALA A 31 6.826 -6.407 -0.532 1.00 0.00 N ATOM 497 CA ALA A 31 7.123 -4.999 -0.743 1.00 0.00 C ATOM 498 C ALA A 31 5.817 -4.209 -0.869 1.00 0.00 C ATOM 499 O ALA A 31 5.016 -4.441 -1.766 1.00 0.00 O ATOM 500 CB ALA A 31 7.957 -4.832 -2.013 1.00 0.00 C ATOM 0 H ALA A 31 7.422 -7.065 -1.034 1.00 0.00 H new ATOM 0 HA ALA A 31 7.689 -4.619 0.107 1.00 0.00 H new ATOM 0 HB1 ALA A 31 8.177 -3.776 -2.167 1.00 0.00 H new ATOM 0 HB2 ALA A 31 8.890 -5.386 -1.911 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.399 -5.215 -2.868 1.00 0.00 H new ATOM 506 N PHE A 32 5.645 -3.282 0.093 1.00 0.00 N ATOM 507 CA PHE A 32 4.382 -2.564 0.083 1.00 0.00 C ATOM 508 C PHE A 32 4.598 -1.074 0.353 1.00 0.00 C ATOM 509 O PHE A 32 5.555 -0.658 0.993 1.00 0.00 O ATOM 510 CB PHE A 32 3.417 -3.166 1.115 1.00 0.00 C ATOM 511 CG PHE A 32 3.800 -2.841 2.532 1.00 0.00 C ATOM 512 CD1 PHE A 32 4.879 -3.544 3.178 1.00 0.00 C ATOM 513 CD2 PHE A 32 3.087 -1.817 3.254 1.00 0.00 C ATOM 514 CE1 PHE A 32 5.243 -3.226 4.533 1.00 0.00 C ATOM 515 CE2 PHE A 32 3.446 -1.502 4.612 1.00 0.00 C ATOM 516 CZ PHE A 32 4.525 -2.206 5.250 1.00 0.00 C ATOM 0 H PHE A 32 6.310 -3.034 0.825 1.00 0.00 H new ATOM 0 HA PHE A 32 3.939 -2.666 -0.908 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.410 -2.797 0.922 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.389 -4.249 0.991 1.00 0.00 H new ATOM 0 HD1 PHE A 32 5.417 -4.313 2.643 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.280 -1.284 2.774 1.00 0.00 H new ATOM 0 HE1 PHE A 32 6.055 -3.753 5.012 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.906 -0.738 5.151 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.797 -1.969 6.268 1.00 0.00 H new ATOM 526 N LEU A 33 3.617 -0.314 -0.160 1.00 0.00 N ATOM 527 CA LEU A 33 3.589 1.085 0.210 1.00 0.00 C ATOM 528 C LEU A 33 2.157 1.598 0.129 1.00 0.00 C ATOM 529 O LEU A 33 1.344 1.142 -0.667 1.00 0.00 O ATOM 530 CB LEU A 33 4.537 1.923 -0.654 1.00 0.00 C ATOM 531 CG LEU A 33 4.267 1.835 -2.159 1.00 0.00 C ATOM 532 CD1 LEU A 33 3.124 2.758 -2.591 1.00 0.00 C ATOM 533 CD2 LEU A 33 5.539 2.189 -2.935 1.00 0.00 C ATOM 0 H LEU A 33 2.881 -0.630 -0.792 1.00 0.00 H new ATOM 0 HA LEU A 33 3.944 1.182 1.236 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.464 2.966 -0.345 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.561 1.604 -0.462 1.00 0.00 H new ATOM 0 HG LEU A 33 3.968 0.811 -2.382 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.967 2.664 -3.665 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.212 2.478 -2.065 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.379 3.790 -2.351 1.00 0.00 H new ATOM 0 HD21 LEU A 33 5.342 2.125 -4.005 1.00 0.00 H new ATOM 0 HD22 LEU A 33 5.849 3.203 -2.683 1.00 0.00 H new ATOM 0 HD23 LEU A 33 6.333 1.491 -2.670 1.00 0.00 H new ATOM 545 N ILE A 34 1.911 2.570 1.019 1.00 0.00 N ATOM 546 CA ILE A 34 0.624 3.229 0.959 1.00 0.00 C ATOM 547 C ILE A 34 0.830 4.652 0.447 1.00 0.00 C ATOM 548 O ILE A 34 1.492 5.476 1.067 1.00 0.00 O ATOM 549 CB ILE A 34 -0.028 3.244 2.342 1.00 0.00 C ATOM 550 CG1 ILE A 34 -0.438 1.834 2.770 1.00 0.00 C ATOM 551 CG2 ILE A 34 -1.237 4.180 2.339 1.00 0.00 C ATOM 552 CD1 ILE A 34 -1.140 1.836 4.129 1.00 0.00 C ATOM 0 H ILE A 34 2.551 2.895 1.744 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.039 2.689 0.282 1.00 0.00 H new ATOM 0 HB ILE A 34 0.701 3.612 3.064 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.101 1.404 2.019 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.445 1.197 2.818 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.696 4.185 3.328 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -0.915 5.189 2.083 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.963 3.834 1.604 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.415 0.816 4.398 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.468 2.242 4.885 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.038 2.452 4.074 1.00 0.00 H new ATOM 564 N ARG A 35 0.233 4.868 -0.738 1.00 0.00 N ATOM 565 CA ARG A 35 0.464 6.148 -1.375 1.00 0.00 C ATOM 566 C ARG A 35 -0.711 7.090 -1.120 1.00 0.00 C ATOM 567 O ARG A 35 -1.865 6.784 -1.391 1.00 0.00 O ATOM 568 CB ARG A 35 0.688 5.946 -2.871 1.00 0.00 C ATOM 569 CG ARG A 35 -0.473 5.209 -3.534 1.00 0.00 C ATOM 570 CD ARG A 35 -0.148 4.838 -4.980 1.00 0.00 C ATOM 571 NE ARG A 35 0.075 6.037 -5.766 1.00 0.00 N ATOM 572 CZ ARG A 35 -0.976 6.825 -6.059 1.00 0.00 C ATOM 573 NH1 ARG A 35 -2.196 6.501 -5.636 1.00 0.00 N ATOM 574 NH2 ARG A 35 -0.797 7.930 -6.776 1.00 0.00 N ATOM 0 H ARG A 35 -0.371 4.214 -1.236 1.00 0.00 H new ATOM 0 HA ARG A 35 1.357 6.604 -0.948 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.822 6.916 -3.351 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.609 5.384 -3.026 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.703 4.306 -2.968 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -1.365 5.836 -3.510 1.00 0.00 H new ATOM 0 HD2 ARG A 35 0.738 4.204 -5.010 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -0.967 4.261 -5.408 1.00 0.00 H new ATOM 0 HE ARG A 35 1.011 6.278 -6.091 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -2.337 5.653 -5.088 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -2.990 7.101 -5.860 1.00 0.00 H new ATOM 0 HH21 ARG A 35 0.136 8.180 -7.103 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -1.593 8.528 -6.999 1.00 0.00 H new ATOM 588 N GLU A 36 -0.322 8.258 -0.577 1.00 0.00 N ATOM 589 CA GLU A 36 -1.338 9.254 -0.297 1.00 0.00 C ATOM 590 C GLU A 36 -1.528 10.156 -1.518 1.00 0.00 C ATOM 591 O GLU A 36 -0.609 10.816 -1.986 1.00 0.00 O ATOM 592 CB GLU A 36 -0.926 10.090 0.914 1.00 0.00 C ATOM 593 CG GLU A 36 -1.997 11.114 1.291 1.00 0.00 C ATOM 594 CD GLU A 36 -1.538 11.923 2.506 1.00 0.00 C ATOM 595 OE1 GLU A 36 -0.334 11.980 2.752 1.00 0.00 O ATOM 596 OE2 GLU A 36 -2.390 12.483 3.194 1.00 0.00 O ATOM 0 H GLU A 36 0.636 8.515 -0.339 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.280 8.753 -0.076 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -0.738 9.432 1.762 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.009 10.606 0.698 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -2.187 11.781 0.450 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.935 10.606 1.514 1.00 0.00 H new ATOM 603 N SER A 37 -2.784 10.131 -1.996 1.00 0.00 N ATOM 604 CA SER A 37 -3.093 10.921 -3.171 1.00 0.00 C ATOM 605 C SER A 37 -2.506 12.325 -3.027 1.00 0.00 C ATOM 606 O SER A 37 -2.549 12.949 -1.975 1.00 0.00 O ATOM 607 CB SER A 37 -4.606 10.998 -3.366 1.00 0.00 C ATOM 608 OG SER A 37 -4.923 11.781 -4.490 1.00 0.00 O ATOM 0 H SER A 37 -3.558 9.597 -1.602 1.00 0.00 H new ATOM 0 HA SER A 37 -2.650 10.444 -4.046 1.00 0.00 H new ATOM 0 HB2 SER A 37 -5.013 9.994 -3.489 1.00 0.00 H new ATOM 0 HB3 SER A 37 -5.071 11.424 -2.477 1.00 0.00 H new ATOM 0 HG SER A 37 -5.877 11.689 -4.695 1.00 0.00 H new ATOM 614 N GLU A 38 -1.952 12.762 -4.171 1.00 0.00 N ATOM 615 CA GLU A 38 -1.351 14.076 -4.227 1.00 0.00 C ATOM 616 C GLU A 38 -2.210 15.093 -3.471 1.00 0.00 C ATOM 617 O GLU A 38 -1.894 15.520 -2.368 1.00 0.00 O ATOM 618 CB GLU A 38 -1.225 14.486 -5.690 1.00 0.00 C ATOM 619 CG GLU A 38 -0.348 13.512 -6.468 1.00 0.00 C ATOM 620 CD GLU A 38 -0.305 13.907 -7.946 1.00 0.00 C ATOM 621 OE1 GLU A 38 -1.364 14.164 -8.516 1.00 0.00 O ATOM 622 OE2 GLU A 38 0.788 13.956 -8.509 1.00 0.00 O ATOM 0 H GLU A 38 -1.915 12.230 -5.040 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.368 14.049 -3.757 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.215 14.528 -6.144 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.802 15.489 -5.753 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.661 13.509 -6.055 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.737 12.499 -6.366 1.00 0.00 H new ATOM 629 N SER A 39 -3.300 15.463 -4.165 1.00 0.00 N ATOM 630 CA SER A 39 -4.132 16.525 -3.631 1.00 0.00 C ATOM 631 C SER A 39 -5.386 15.941 -2.976 1.00 0.00 C ATOM 632 O SER A 39 -6.507 16.350 -3.251 1.00 0.00 O ATOM 633 CB SER A 39 -4.525 17.485 -4.754 1.00 0.00 C ATOM 634 OG SER A 39 -5.307 18.539 -4.254 1.00 0.00 O ATOM 0 H SER A 39 -3.605 15.060 -5.051 1.00 0.00 H new ATOM 0 HA SER A 39 -3.568 17.070 -2.874 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.629 17.884 -5.229 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.080 16.946 -5.522 1.00 0.00 H new ATOM 0 HG SER A 39 -6.142 18.181 -3.886 1.00 0.00 H new ATOM 640 N ALA A 40 -5.115 14.965 -2.093 1.00 0.00 N ATOM 641 CA ALA A 40 -6.230 14.366 -1.384 1.00 0.00 C ATOM 642 C ALA A 40 -5.700 13.439 -0.281 1.00 0.00 C ATOM 643 O ALA A 40 -5.343 12.295 -0.531 1.00 0.00 O ATOM 644 CB ALA A 40 -7.096 13.576 -2.365 1.00 0.00 C ATOM 0 H ALA A 40 -4.189 14.599 -1.870 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.836 15.149 -0.928 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.933 13.127 -1.831 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.475 14.246 -3.137 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.498 12.791 -2.828 1.00 0.00 H new ATOM 650 N PRO A 41 -5.662 13.987 0.956 1.00 0.00 N ATOM 651 CA PRO A 41 -5.136 13.254 2.106 1.00 0.00 C ATOM 652 C PRO A 41 -6.069 12.165 2.666 1.00 0.00 C ATOM 653 O PRO A 41 -5.707 11.422 3.570 1.00 0.00 O ATOM 654 CB PRO A 41 -4.961 14.339 3.165 1.00 0.00 C ATOM 655 CG PRO A 41 -5.962 15.436 2.792 1.00 0.00 C ATOM 656 CD PRO A 41 -6.107 15.339 1.272 1.00 0.00 C ATOM 0 HA PRO A 41 -4.232 12.718 1.818 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -5.159 13.949 4.163 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -3.941 14.723 3.169 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -6.919 15.283 3.290 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -5.600 16.419 3.092 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -7.138 15.502 0.959 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -5.498 16.087 0.765 1.00 0.00 H new ATOM 664 N GLY A 42 -7.274 12.107 2.070 1.00 0.00 N ATOM 665 CA GLY A 42 -8.211 11.082 2.491 1.00 0.00 C ATOM 666 C GLY A 42 -8.292 9.956 1.453 1.00 0.00 C ATOM 667 O GLY A 42 -9.359 9.431 1.155 1.00 0.00 O ATOM 0 H GLY A 42 -7.600 12.731 1.332 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.902 10.674 3.453 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.198 11.522 2.634 1.00 0.00 H new ATOM 671 N ASP A 43 -7.099 9.627 0.924 1.00 0.00 N ATOM 672 CA ASP A 43 -7.058 8.577 -0.076 1.00 0.00 C ATOM 673 C ASP A 43 -5.753 7.789 0.060 1.00 0.00 C ATOM 674 O ASP A 43 -4.658 8.319 -0.087 1.00 0.00 O ATOM 675 CB ASP A 43 -7.161 9.190 -1.473 1.00 0.00 C ATOM 676 CG ASP A 43 -8.468 9.976 -1.599 1.00 0.00 C ATOM 677 OD1 ASP A 43 -8.566 11.051 -1.010 1.00 0.00 O ATOM 678 OD2 ASP A 43 -9.372 9.506 -2.289 1.00 0.00 O ATOM 0 H ASP A 43 -6.204 10.053 1.163 1.00 0.00 H new ATOM 0 HA ASP A 43 -7.899 7.900 0.074 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -6.311 9.848 -1.655 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -7.124 8.405 -2.228 1.00 0.00 H new ATOM 683 N PHE A 44 -5.951 6.491 0.354 1.00 0.00 N ATOM 684 CA PHE A 44 -4.790 5.642 0.535 1.00 0.00 C ATOM 685 C PHE A 44 -5.048 4.278 -0.107 1.00 0.00 C ATOM 686 O PHE A 44 -6.182 3.865 -0.314 1.00 0.00 O ATOM 687 CB PHE A 44 -4.503 5.478 2.027 1.00 0.00 C ATOM 688 CG PHE A 44 -4.259 6.802 2.690 1.00 0.00 C ATOM 689 CD1 PHE A 44 -5.359 7.542 3.253 1.00 0.00 C ATOM 690 CD2 PHE A 44 -2.927 7.342 2.768 1.00 0.00 C ATOM 691 CE1 PHE A 44 -5.130 8.812 3.890 1.00 0.00 C ATOM 692 CE2 PHE A 44 -2.694 8.611 3.404 1.00 0.00 C ATOM 693 CZ PHE A 44 -3.797 9.346 3.964 1.00 0.00 C ATOM 0 H PHE A 44 -6.858 6.038 0.464 1.00 0.00 H new ATOM 0 HA PHE A 44 -3.924 6.100 0.057 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -5.345 4.979 2.508 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -3.632 4.836 2.163 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -6.361 7.142 3.197 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -2.099 6.792 2.347 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -5.958 9.363 4.312 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -1.693 9.012 3.461 1.00 0.00 H new ATOM 0 HZ PHE A 44 -3.624 10.300 4.440 1.00 0.00 H new ATOM 703 N SER A 45 -3.917 3.614 -0.409 1.00 0.00 N ATOM 704 CA SER A 45 -4.026 2.296 -1.005 1.00 0.00 C ATOM 705 C SER A 45 -2.749 1.500 -0.723 1.00 0.00 C ATOM 706 O SER A 45 -1.637 1.964 -0.944 1.00 0.00 O ATOM 707 CB SER A 45 -4.255 2.423 -2.512 1.00 0.00 C ATOM 708 OG SER A 45 -3.184 3.097 -3.121 1.00 0.00 O ATOM 0 H SER A 45 -2.969 3.957 -0.255 1.00 0.00 H new ATOM 0 HA SER A 45 -4.875 1.769 -0.569 1.00 0.00 H new ATOM 0 HB2 SER A 45 -4.366 1.432 -2.953 1.00 0.00 H new ATOM 0 HB3 SER A 45 -5.184 2.961 -2.700 1.00 0.00 H new ATOM 0 HG SER A 45 -3.347 3.167 -4.085 1.00 0.00 H new ATOM 714 N LEU A 46 -2.990 0.280 -0.207 1.00 0.00 N ATOM 715 CA LEU A 46 -1.855 -0.550 0.150 1.00 0.00 C ATOM 716 C LEU A 46 -1.431 -1.391 -1.056 1.00 0.00 C ATOM 717 O LEU A 46 -2.146 -2.271 -1.517 1.00 0.00 O ATOM 718 CB LEU A 46 -2.229 -1.454 1.325 1.00 0.00 C ATOM 719 CG LEU A 46 -1.006 -1.983 2.081 1.00 0.00 C ATOM 720 CD1 LEU A 46 -1.442 -2.703 3.355 1.00 0.00 C ATOM 721 CD2 LEU A 46 -0.149 -2.910 1.219 1.00 0.00 C ATOM 0 H LEU A 46 -3.911 -0.125 -0.040 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.019 0.084 0.446 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.865 -0.900 2.015 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.815 -2.296 0.957 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.391 -1.122 2.343 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.563 -3.074 3.882 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.985 -2.009 3.997 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.090 -3.540 3.096 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.706 -3.259 1.799 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.745 -3.765 0.901 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.205 -2.368 0.342 1.00 0.00 H new ATOM 733 N SER A 47 -0.218 -1.052 -1.526 1.00 0.00 N ATOM 734 CA SER A 47 0.312 -1.772 -2.666 1.00 0.00 C ATOM 735 C SER A 47 1.211 -2.912 -2.180 1.00 0.00 C ATOM 736 O SER A 47 1.840 -2.832 -1.132 1.00 0.00 O ATOM 737 CB SER A 47 1.113 -0.804 -3.535 1.00 0.00 C ATOM 738 OG SER A 47 2.166 -0.249 -2.790 1.00 0.00 O ATOM 0 H SER A 47 0.380 -0.318 -1.147 1.00 0.00 H new ATOM 0 HA SER A 47 -0.504 -2.194 -3.252 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.509 -1.326 -4.406 1.00 0.00 H new ATOM 0 HB3 SER A 47 0.462 -0.012 -3.906 1.00 0.00 H new ATOM 0 HG SER A 47 1.812 0.433 -2.182 1.00 0.00 H new ATOM 744 N VAL A 48 1.224 -3.977 -3.003 1.00 0.00 N ATOM 745 CA VAL A 48 2.069 -5.102 -2.646 1.00 0.00 C ATOM 746 C VAL A 48 2.611 -5.772 -3.910 1.00 0.00 C ATOM 747 O VAL A 48 1.907 -5.967 -4.893 1.00 0.00 O ATOM 748 CB VAL A 48 1.276 -6.124 -1.827 1.00 0.00 C ATOM 749 CG1 VAL A 48 2.109 -7.383 -1.571 1.00 0.00 C ATOM 750 CG2 VAL A 48 0.789 -5.515 -0.512 1.00 0.00 C ATOM 0 H VAL A 48 0.689 -4.072 -3.867 1.00 0.00 H new ATOM 0 HA VAL A 48 2.901 -4.733 -2.046 1.00 0.00 H new ATOM 0 HB VAL A 48 0.399 -6.411 -2.408 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.524 -8.094 -0.987 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.386 -7.836 -2.523 1.00 0.00 H new ATOM 0 HG13 VAL A 48 3.011 -7.117 -1.020 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.229 -6.263 0.050 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.646 -5.186 0.076 1.00 0.00 H new ATOM 0 HG23 VAL A 48 0.145 -4.662 -0.723 1.00 0.00 H new ATOM 760 N LYS A 49 3.908 -6.116 -3.807 1.00 0.00 N ATOM 761 CA LYS A 49 4.504 -6.832 -4.917 1.00 0.00 C ATOM 762 C LYS A 49 3.906 -8.239 -4.989 1.00 0.00 C ATOM 763 O LYS A 49 4.318 -9.151 -4.282 1.00 0.00 O ATOM 764 CB LYS A 49 6.019 -6.933 -4.731 1.00 0.00 C ATOM 765 CG LYS A 49 6.677 -7.678 -5.895 1.00 0.00 C ATOM 766 CD LYS A 49 6.635 -6.883 -7.201 1.00 0.00 C ATOM 767 CE LYS A 49 6.957 -7.768 -8.406 1.00 0.00 C ATOM 768 NZ LYS A 49 6.697 -7.101 -9.676 1.00 0.00 N ATOM 0 H LYS A 49 4.520 -5.920 -3.015 1.00 0.00 H new ATOM 0 HA LYS A 49 4.297 -6.292 -5.841 1.00 0.00 H new ATOM 0 HB2 LYS A 49 6.445 -5.933 -4.650 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.239 -7.449 -3.796 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.714 -7.898 -5.641 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.175 -8.634 -6.040 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.647 -6.440 -7.327 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.349 -6.061 -7.151 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.005 -8.066 -8.364 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.364 -8.681 -8.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.566 -7.814 -10.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 5.837 -6.523 -9.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.503 -6.490 -9.919 1.00 0.00 H new ATOM 782 N PHE A 50 2.917 -8.351 -5.893 1.00 0.00 N ATOM 783 CA PHE A 50 2.312 -9.655 -6.080 1.00 0.00 C ATOM 784 C PHE A 50 2.608 -10.140 -7.498 1.00 0.00 C ATOM 785 O PHE A 50 2.084 -9.620 -8.476 1.00 0.00 O ATOM 786 CB PHE A 50 0.803 -9.567 -5.847 1.00 0.00 C ATOM 787 CG PHE A 50 0.138 -10.898 -6.045 1.00 0.00 C ATOM 788 CD1 PHE A 50 0.832 -12.116 -5.715 1.00 0.00 C ATOM 789 CD2 PHE A 50 -1.201 -10.964 -6.570 1.00 0.00 C ATOM 790 CE1 PHE A 50 0.191 -13.391 -5.907 1.00 0.00 C ATOM 791 CE2 PHE A 50 -1.845 -12.236 -6.763 1.00 0.00 C ATOM 792 CZ PHE A 50 -1.147 -13.449 -6.431 1.00 0.00 C ATOM 0 H PHE A 50 2.545 -7.596 -6.469 1.00 0.00 H new ATOM 0 HA PHE A 50 2.728 -10.363 -5.364 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.610 -9.209 -4.836 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.370 -8.837 -6.531 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.837 -12.073 -5.322 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.725 -10.053 -6.820 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.714 -14.302 -5.658 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.850 -12.280 -7.156 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.628 -14.405 -6.575 1.00 0.00 H new ATOM 802 N GLY A 51 3.491 -11.158 -7.517 1.00 0.00 N ATOM 803 CA GLY A 51 3.988 -11.709 -8.767 1.00 0.00 C ATOM 804 C GLY A 51 3.010 -11.504 -9.919 1.00 0.00 C ATOM 805 O GLY A 51 1.797 -11.537 -9.757 1.00 0.00 O ATOM 0 H GLY A 51 3.865 -11.605 -6.680 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.941 -11.241 -9.014 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.180 -12.775 -8.641 1.00 0.00 H new ATOM 809 N ASN A 52 3.650 -11.274 -11.078 1.00 0.00 N ATOM 810 CA ASN A 52 2.910 -10.957 -12.289 1.00 0.00 C ATOM 811 C ASN A 52 2.638 -9.448 -12.396 1.00 0.00 C ATOM 812 O ASN A 52 2.557 -8.900 -13.488 1.00 0.00 O ATOM 813 CB ASN A 52 1.596 -11.738 -12.365 1.00 0.00 C ATOM 814 CG ASN A 52 1.024 -11.634 -13.781 1.00 0.00 C ATOM 815 OD1 ASN A 52 1.730 -11.368 -14.746 1.00 0.00 O ATOM 816 ND2 ASN A 52 -0.302 -11.855 -13.829 1.00 0.00 N ATOM 0 H ASN A 52 4.663 -11.303 -11.192 1.00 0.00 H new ATOM 0 HA ASN A 52 3.532 -11.257 -13.132 1.00 0.00 H new ATOM 0 HB2 ASN A 52 1.766 -12.783 -12.105 1.00 0.00 H new ATOM 0 HB3 ASN A 52 0.882 -11.342 -11.643 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -0.795 -11.806 -14.721 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -0.814 -12.071 -12.974 1.00 0.00 H new ATOM 823 N ASP A 53 2.505 -8.807 -11.215 1.00 0.00 N ATOM 824 CA ASP A 53 2.230 -7.384 -11.285 1.00 0.00 C ATOM 825 C ASP A 53 2.236 -6.768 -9.878 1.00 0.00 C ATOM 826 O ASP A 53 2.606 -7.400 -8.896 1.00 0.00 O ATOM 827 CB ASP A 53 0.879 -7.174 -11.976 1.00 0.00 C ATOM 828 CG ASP A 53 0.689 -5.709 -12.381 1.00 0.00 C ATOM 829 OD1 ASP A 53 1.404 -5.249 -13.270 1.00 0.00 O ATOM 830 OD2 ASP A 53 -0.172 -5.047 -11.805 1.00 0.00 O ATOM 0 H ASP A 53 2.578 -9.219 -10.285 1.00 0.00 H new ATOM 0 HA ASP A 53 3.007 -6.885 -11.864 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.816 -7.810 -12.859 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.074 -7.477 -11.307 1.00 0.00 H new ATOM 835 N VAL A 54 1.797 -5.497 -9.853 1.00 0.00 N ATOM 836 CA VAL A 54 1.705 -4.822 -8.574 1.00 0.00 C ATOM 837 C VAL A 54 0.244 -4.797 -8.118 1.00 0.00 C ATOM 838 O VAL A 54 -0.626 -4.231 -8.768 1.00 0.00 O ATOM 839 CB VAL A 54 2.234 -3.392 -8.702 1.00 0.00 C ATOM 840 CG1 VAL A 54 2.091 -2.646 -7.376 1.00 0.00 C ATOM 841 CG2 VAL A 54 3.689 -3.387 -9.171 1.00 0.00 C ATOM 0 H VAL A 54 1.516 -4.950 -10.667 1.00 0.00 H new ATOM 0 HA VAL A 54 2.306 -5.356 -7.838 1.00 0.00 H new ATOM 0 HB VAL A 54 1.637 -2.875 -9.453 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.472 -1.631 -7.487 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.040 -2.609 -7.091 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.659 -3.165 -6.604 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.041 -2.359 -9.254 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.305 -3.925 -8.450 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.759 -3.874 -10.144 1.00 0.00 H new ATOM 851 N GLN A 55 0.042 -5.446 -6.957 1.00 0.00 N ATOM 852 CA GLN A 55 -1.307 -5.475 -6.427 1.00 0.00 C ATOM 853 C GLN A 55 -1.525 -4.270 -5.513 1.00 0.00 C ATOM 854 O GLN A 55 -0.592 -3.656 -5.012 1.00 0.00 O ATOM 855 CB GLN A 55 -1.545 -6.782 -5.673 1.00 0.00 C ATOM 856 CG GLN A 55 -2.955 -6.860 -5.088 1.00 0.00 C ATOM 857 CD GLN A 55 -3.185 -8.240 -4.467 1.00 0.00 C ATOM 858 OE1 GLN A 55 -4.269 -8.807 -4.537 1.00 0.00 O ATOM 859 NE2 GLN A 55 -2.091 -8.743 -3.864 1.00 0.00 N ATOM 0 H GLN A 55 0.754 -5.926 -6.406 1.00 0.00 H new ATOM 0 HA GLN A 55 -2.022 -5.422 -7.248 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.386 -7.623 -6.348 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -0.814 -6.875 -4.870 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.088 -6.085 -4.333 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -3.693 -6.675 -5.869 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.224 -8.206 -3.850 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.129 -9.661 -3.422 1.00 0.00 H new ATOM 868 N HIS A 56 -2.825 -3.967 -5.357 1.00 0.00 N ATOM 869 CA HIS A 56 -3.162 -2.778 -4.601 1.00 0.00 C ATOM 870 C HIS A 56 -4.483 -2.974 -3.854 1.00 0.00 C ATOM 871 O HIS A 56 -5.417 -3.598 -4.342 1.00 0.00 O ATOM 872 CB HIS A 56 -3.261 -1.579 -5.548 1.00 0.00 C ATOM 873 CG HIS A 56 -4.392 -1.781 -6.530 1.00 0.00 C ATOM 874 ND1 HIS A 56 -4.805 -2.988 -6.979 1.00 0.00 N ATOM 875 CD2 HIS A 56 -5.187 -0.791 -7.131 1.00 0.00 C ATOM 876 CE1 HIS A 56 -5.819 -2.736 -7.826 1.00 0.00 C ATOM 877 NE2 HIS A 56 -6.072 -1.419 -7.938 1.00 0.00 N ATOM 0 H HIS A 56 -3.611 -4.502 -5.726 1.00 0.00 H new ATOM 0 HA HIS A 56 -2.379 -2.591 -3.866 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -3.426 -0.667 -4.975 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -2.321 -1.452 -6.086 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -5.106 0.275 -6.977 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -6.367 -3.502 -8.355 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -6.789 -0.981 -8.517 1.00 0.00 H new ATOM 885 N PHE A 57 -4.486 -2.396 -2.640 1.00 0.00 N ATOM 886 CA PHE A 57 -5.698 -2.479 -1.846 1.00 0.00 C ATOM 887 C PHE A 57 -6.117 -1.078 -1.406 1.00 0.00 C ATOM 888 O PHE A 57 -5.570 -0.499 -0.476 1.00 0.00 O ATOM 889 CB PHE A 57 -5.465 -3.364 -0.622 1.00 0.00 C ATOM 890 CG PHE A 57 -5.056 -4.745 -1.038 1.00 0.00 C ATOM 891 CD1 PHE A 57 -6.054 -5.750 -1.300 1.00 0.00 C ATOM 892 CD2 PHE A 57 -3.662 -5.072 -1.193 1.00 0.00 C ATOM 893 CE1 PHE A 57 -5.664 -7.069 -1.722 1.00 0.00 C ATOM 894 CE2 PHE A 57 -3.267 -6.390 -1.615 1.00 0.00 C ATOM 895 CZ PHE A 57 -4.270 -7.386 -1.882 1.00 0.00 C ATOM 0 H PHE A 57 -3.705 -1.896 -2.216 1.00 0.00 H new ATOM 0 HA PHE A 57 -6.492 -2.919 -2.449 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -4.692 -2.925 0.009 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -6.375 -3.413 -0.024 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -7.101 -5.512 -1.179 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -2.909 -4.324 -0.992 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -6.416 -7.819 -1.918 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -2.221 -6.631 -1.731 1.00 0.00 H new ATOM 0 HZ PHE A 57 -3.976 -8.374 -2.203 1.00 0.00 H new ATOM 905 N LYS A 58 -7.128 -0.581 -2.137 1.00 0.00 N ATOM 906 CA LYS A 58 -7.600 0.747 -1.805 1.00 0.00 C ATOM 907 C LYS A 58 -8.100 0.767 -0.362 1.00 0.00 C ATOM 908 O LYS A 58 -8.991 0.022 0.028 1.00 0.00 O ATOM 909 CB LYS A 58 -8.722 1.160 -2.757 1.00 0.00 C ATOM 910 CG LYS A 58 -8.244 1.210 -4.208 1.00 0.00 C ATOM 911 CD LYS A 58 -9.330 1.728 -5.150 1.00 0.00 C ATOM 912 CE LYS A 58 -10.555 0.813 -5.168 1.00 0.00 C ATOM 913 NZ LYS A 58 -10.252 -0.510 -5.698 1.00 0.00 N ATOM 0 H LYS A 58 -7.600 -1.051 -2.910 1.00 0.00 H new ATOM 0 HA LYS A 58 -6.778 1.455 -1.908 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -9.550 0.456 -2.671 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -9.104 2.138 -2.466 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -7.366 1.852 -4.279 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -7.936 0.213 -4.523 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -9.630 2.730 -4.842 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -8.925 1.812 -6.159 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -10.947 0.715 -4.156 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -11.339 1.272 -5.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -11.136 -1.041 -5.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -9.763 -0.415 -6.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -9.641 -1.020 -5.029 1.00 0.00 H new ATOM 927 N VAL A 59 -7.469 1.679 0.396 1.00 0.00 N ATOM 928 CA VAL A 59 -7.957 1.890 1.743 1.00 0.00 C ATOM 929 C VAL A 59 -9.187 2.798 1.665 1.00 0.00 C ATOM 930 O VAL A 59 -9.091 4.014 1.549 1.00 0.00 O ATOM 931 CB VAL A 59 -6.852 2.520 2.591 1.00 0.00 C ATOM 932 CG1 VAL A 59 -7.284 2.630 4.050 1.00 0.00 C ATOM 933 CG2 VAL A 59 -5.558 1.715 2.473 1.00 0.00 C ATOM 0 H VAL A 59 -6.669 2.245 0.112 1.00 0.00 H new ATOM 0 HA VAL A 59 -8.238 0.947 2.211 1.00 0.00 H new ATOM 0 HB VAL A 59 -6.667 3.526 2.214 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -6.482 3.081 4.634 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -8.177 3.251 4.119 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -7.503 1.636 4.441 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -4.784 2.179 3.084 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -5.731 0.696 2.819 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -5.236 1.695 1.432 1.00 0.00 H new ATOM 943 N LEU A 60 -10.343 2.110 1.694 1.00 0.00 N ATOM 944 CA LEU A 60 -11.565 2.788 1.315 1.00 0.00 C ATOM 945 C LEU A 60 -12.270 3.421 2.515 1.00 0.00 C ATOM 946 O LEU A 60 -11.847 3.321 3.661 1.00 0.00 O ATOM 947 CB LEU A 60 -12.501 1.769 0.672 1.00 0.00 C ATOM 948 CG LEU A 60 -11.934 1.191 -0.627 1.00 0.00 C ATOM 949 CD1 LEU A 60 -12.882 0.144 -1.214 1.00 0.00 C ATOM 950 CD2 LEU A 60 -11.649 2.291 -1.651 1.00 0.00 C ATOM 0 H LEU A 60 -10.443 1.132 1.964 1.00 0.00 H new ATOM 0 HA LEU A 60 -11.309 3.589 0.621 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -12.688 0.958 1.376 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -13.462 2.241 0.467 1.00 0.00 H new ATOM 0 HG LEU A 60 -10.988 0.706 -0.386 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -12.459 -0.253 -2.137 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -13.017 -0.667 -0.498 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -13.847 0.605 -1.426 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -11.247 1.846 -2.561 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -12.573 2.820 -1.883 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.923 2.992 -1.239 1.00 0.00 H new ATOM 962 N ARG A 61 -13.389 4.068 2.137 1.00 0.00 N ATOM 963 CA ARG A 61 -14.255 4.679 3.127 1.00 0.00 C ATOM 964 C ARG A 61 -13.522 5.850 3.797 1.00 0.00 C ATOM 965 O ARG A 61 -12.872 6.650 3.136 1.00 0.00 O ATOM 966 CB ARG A 61 -14.709 3.604 4.119 1.00 0.00 C ATOM 967 CG ARG A 61 -15.947 4.014 4.922 1.00 0.00 C ATOM 968 CD ARG A 61 -17.192 4.072 4.037 1.00 0.00 C ATOM 969 NE ARG A 61 -18.349 4.472 4.817 1.00 0.00 N ATOM 970 CZ ARG A 61 -18.839 3.620 5.736 1.00 0.00 C ATOM 971 NH1 ARG A 61 -18.278 2.427 5.909 1.00 0.00 N ATOM 972 NH2 ARG A 61 -19.885 3.973 6.478 1.00 0.00 N ATOM 0 H ARG A 61 -13.698 4.173 1.171 1.00 0.00 H new ATOM 0 HA ARG A 61 -15.151 5.094 2.665 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -14.924 2.684 3.576 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -13.893 3.385 4.807 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -16.108 3.304 5.733 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -15.779 4.989 5.380 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -17.034 4.778 3.221 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -17.370 3.096 3.584 1.00 0.00 H new ATOM 0 HE ARG A 61 -18.783 5.383 4.671 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -17.473 2.155 5.344 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -18.652 1.784 6.607 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -20.315 4.889 6.350 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -20.257 3.328 7.175 1.00 0.00 H new ATOM 986 N ASP A 62 -13.671 5.889 5.135 1.00 0.00 N ATOM 987 CA ASP A 62 -13.080 6.952 5.933 1.00 0.00 C ATOM 988 C ASP A 62 -14.079 8.102 6.075 1.00 0.00 C ATOM 989 O ASP A 62 -14.435 8.773 5.113 1.00 0.00 O ATOM 990 CB ASP A 62 -11.770 7.456 5.324 1.00 0.00 C ATOM 991 CG ASP A 62 -11.022 8.304 6.354 1.00 0.00 C ATOM 992 OD1 ASP A 62 -10.879 7.855 7.490 1.00 0.00 O ATOM 993 OD2 ASP A 62 -10.592 9.404 6.009 1.00 0.00 O ATOM 0 H ASP A 62 -14.194 5.197 5.672 1.00 0.00 H new ATOM 0 HA ASP A 62 -12.846 6.548 6.918 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -11.153 6.613 5.014 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -11.975 8.046 4.431 1.00 0.00 H new ATOM 998 N GLY A 63 -14.507 8.272 7.338 1.00 0.00 N ATOM 999 CA GLY A 63 -15.489 9.309 7.596 1.00 0.00 C ATOM 1000 C GLY A 63 -16.663 8.753 8.408 1.00 0.00 C ATOM 1001 O GLY A 63 -17.161 9.383 9.334 1.00 0.00 O ATOM 0 H GLY A 63 -14.202 7.732 8.148 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -15.023 10.132 8.138 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -15.853 9.715 6.652 1.00 0.00 H new ATOM 1005 N ALA A 64 -17.059 7.532 8.005 1.00 0.00 N ATOM 1006 CA ALA A 64 -18.137 6.880 8.724 1.00 0.00 C ATOM 1007 C ALA A 64 -17.682 5.489 9.177 1.00 0.00 C ATOM 1008 O ALA A 64 -17.886 5.081 10.314 1.00 0.00 O ATOM 1009 CB ALA A 64 -19.360 6.765 7.814 1.00 0.00 C ATOM 0 H ALA A 64 -16.664 7.008 7.224 1.00 0.00 H new ATOM 0 HA ALA A 64 -18.402 7.469 9.602 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -20.170 6.275 8.354 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -19.679 7.761 7.506 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -19.104 6.177 6.933 1.00 0.00 H new ATOM 1015 N GLY A 65 -17.040 4.804 8.213 1.00 0.00 N ATOM 1016 CA GLY A 65 -16.502 3.494 8.536 1.00 0.00 C ATOM 1017 C GLY A 65 -14.965 3.488 8.494 1.00 0.00 C ATOM 1018 O GLY A 65 -14.340 2.500 8.124 1.00 0.00 O ATOM 0 H GLY A 65 -16.892 5.124 7.256 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -16.841 3.195 9.528 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -16.889 2.757 7.832 1.00 0.00 H new ATOM 1022 N LYS A 66 -14.402 4.646 8.888 1.00 0.00 N ATOM 1023 CA LYS A 66 -12.956 4.784 8.895 1.00 0.00 C ATOM 1024 C LYS A 66 -12.345 4.052 7.692 1.00 0.00 C ATOM 1025 O LYS A 66 -12.938 3.973 6.625 1.00 0.00 O ATOM 1026 CB LYS A 66 -12.389 4.268 10.219 1.00 0.00 C ATOM 1027 CG LYS A 66 -13.094 4.905 11.420 1.00 0.00 C ATOM 1028 CD LYS A 66 -12.346 4.672 12.736 1.00 0.00 C ATOM 1029 CE LYS A 66 -11.268 5.730 12.973 1.00 0.00 C ATOM 1030 NZ LYS A 66 -10.231 5.719 11.950 1.00 0.00 N ATOM 0 H LYS A 66 -14.919 5.470 9.195 1.00 0.00 H new ATOM 0 HA LYS A 66 -12.693 5.838 8.806 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -12.498 3.184 10.265 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -11.321 4.483 10.267 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -13.196 5.977 11.250 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -14.102 4.498 11.503 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -13.055 4.684 13.564 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -11.888 3.683 12.723 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -11.733 6.715 13.002 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -10.811 5.564 13.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -9.317 5.969 12.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -10.168 4.770 11.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -10.466 6.410 11.210 1.00 0.00 H new ATOM 1044 N TYR A 67 -11.128 3.529 7.929 1.00 0.00 N ATOM 1045 CA TYR A 67 -10.440 2.884 6.826 1.00 0.00 C ATOM 1046 C TYR A 67 -10.644 1.369 6.885 1.00 0.00 C ATOM 1047 O TYR A 67 -10.511 0.743 7.929 1.00 0.00 O ATOM 1048 CB TYR A 67 -8.948 3.203 6.904 1.00 0.00 C ATOM 1049 CG TYR A 67 -8.698 4.679 6.812 1.00 0.00 C ATOM 1050 CD1 TYR A 67 -8.897 5.374 5.567 1.00 0.00 C ATOM 1051 CD2 TYR A 67 -8.255 5.410 7.971 1.00 0.00 C ATOM 1052 CE1 TYR A 67 -8.654 6.790 5.480 1.00 0.00 C ATOM 1053 CE2 TYR A 67 -8.012 6.826 7.887 1.00 0.00 C ATOM 1054 CZ TYR A 67 -8.211 7.515 6.640 1.00 0.00 C ATOM 1055 OH TYR A 67 -7.978 8.873 6.558 1.00 0.00 O ATOM 0 H TYR A 67 -10.635 3.542 8.822 1.00 0.00 H new ATOM 0 HA TYR A 67 -10.848 3.257 5.887 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -8.541 2.821 7.841 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -8.423 2.693 6.097 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -9.230 4.831 4.695 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -8.104 4.893 8.907 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -8.804 7.308 4.544 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -7.681 7.371 8.759 1.00 0.00 H new ATOM 0 HH TYR A 67 -8.813 9.336 6.338 1.00 0.00 H new ATOM 1065 N PHE A 68 -10.962 0.824 5.694 1.00 0.00 N ATOM 1066 CA PHE A 68 -11.086 -0.621 5.653 1.00 0.00 C ATOM 1067 C PHE A 68 -10.762 -1.153 4.251 1.00 0.00 C ATOM 1068 O PHE A 68 -10.985 -0.500 3.240 1.00 0.00 O ATOM 1069 CB PHE A 68 -12.479 -1.062 6.121 1.00 0.00 C ATOM 1070 CG PHE A 68 -13.556 -0.898 5.084 1.00 0.00 C ATOM 1071 CD1 PHE A 68 -13.470 0.118 4.063 1.00 0.00 C ATOM 1072 CD2 PHE A 68 -14.697 -1.776 5.112 1.00 0.00 C ATOM 1073 CE1 PHE A 68 -14.514 0.250 3.081 1.00 0.00 C ATOM 1074 CE2 PHE A 68 -15.742 -1.646 4.132 1.00 0.00 C ATOM 1075 CZ PHE A 68 -15.649 -0.632 3.116 1.00 0.00 C ATOM 0 H PHE A 68 -11.124 1.325 4.820 1.00 0.00 H new ATOM 0 HA PHE A 68 -10.360 -1.051 6.343 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -12.435 -2.109 6.421 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -12.752 -0.488 7.006 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -12.619 0.782 4.036 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -14.769 -2.538 5.874 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -14.445 1.011 2.318 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -16.595 -2.308 4.159 1.00 0.00 H new ATOM 0 HZ PHE A 68 -16.432 -0.533 2.379 1.00 0.00 H new ATOM 1085 N LEU A 69 -10.213 -2.381 4.274 1.00 0.00 N ATOM 1086 CA LEU A 69 -9.889 -3.026 3.015 1.00 0.00 C ATOM 1087 C LEU A 69 -11.122 -3.761 2.487 1.00 0.00 C ATOM 1088 O LEU A 69 -11.508 -3.630 1.331 1.00 0.00 O ATOM 1089 CB LEU A 69 -8.748 -4.019 3.237 1.00 0.00 C ATOM 1090 CG LEU A 69 -7.448 -3.319 3.633 1.00 0.00 C ATOM 1091 CD1 LEU A 69 -6.663 -4.163 4.637 1.00 0.00 C ATOM 1092 CD2 LEU A 69 -6.588 -3.022 2.404 1.00 0.00 C ATOM 0 H LEU A 69 -9.997 -2.916 5.115 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.580 -2.277 2.286 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -9.030 -4.727 4.016 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.586 -4.595 2.326 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.710 -2.372 4.104 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.742 -3.646 4.905 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.266 -4.318 5.532 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.421 -5.128 4.191 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.669 -2.524 2.714 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.342 -3.956 1.898 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.139 -2.374 1.722 1.00 0.00 H new ATOM 1104 N TRP A 70 -11.708 -4.538 3.415 1.00 0.00 N ATOM 1105 CA TRP A 70 -12.870 -5.315 3.028 1.00 0.00 C ATOM 1106 C TRP A 70 -13.974 -5.157 4.077 1.00 0.00 C ATOM 1107 O TRP A 70 -14.947 -4.436 3.890 1.00 0.00 O ATOM 1108 CB TRP A 70 -12.488 -6.790 2.892 1.00 0.00 C ATOM 1109 CG TRP A 70 -11.435 -6.946 1.819 1.00 0.00 C ATOM 1110 CD1 TRP A 70 -11.364 -6.223 0.622 1.00 0.00 C ATOM 1111 CD2 TRP A 70 -10.320 -7.856 1.822 1.00 0.00 C ATOM 1112 NE1 TRP A 70 -10.289 -6.625 -0.103 1.00 0.00 N ATOM 1113 CE2 TRP A 70 -9.601 -7.625 0.572 1.00 0.00 C ATOM 1114 CE3 TRP A 70 -9.860 -8.830 2.740 1.00 0.00 C ATOM 1115 CZ2 TRP A 70 -8.439 -8.375 0.272 1.00 0.00 C ATOM 1116 CZ3 TRP A 70 -8.676 -9.597 2.438 1.00 0.00 C ATOM 1117 CH2 TRP A 70 -7.965 -9.370 1.203 1.00 0.00 C ATOM 0 H TRP A 70 -11.408 -4.635 4.385 1.00 0.00 H new ATOM 0 HA TRP A 70 -13.237 -4.953 2.068 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -12.111 -7.167 3.843 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -13.368 -7.382 2.640 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -12.063 -5.457 0.320 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -10.025 -6.247 -1.013 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -10.394 -8.999 3.664 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -7.908 -8.203 -0.652 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -8.322 -10.341 3.136 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -7.079 -9.944 0.976 1.00 0.00 H new ATOM 1128 N VAL A 71 -13.756 -5.893 5.181 1.00 0.00 N ATOM 1129 CA VAL A 71 -14.752 -5.872 6.233 1.00 0.00 C ATOM 1130 C VAL A 71 -14.227 -5.064 7.421 1.00 0.00 C ATOM 1131 O VAL A 71 -14.522 -3.886 7.588 1.00 0.00 O ATOM 1132 CB VAL A 71 -15.068 -7.305 6.664 1.00 0.00 C ATOM 1133 CG1 VAL A 71 -15.984 -7.324 7.890 1.00 0.00 C ATOM 1134 CG2 VAL A 71 -15.687 -8.095 5.510 1.00 0.00 C ATOM 0 H VAL A 71 -12.938 -6.478 5.353 1.00 0.00 H new ATOM 0 HA VAL A 71 -15.665 -5.403 5.865 1.00 0.00 H new ATOM 0 HB VAL A 71 -14.130 -7.786 6.941 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -16.191 -8.356 8.173 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -15.494 -6.812 8.718 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -16.920 -6.818 7.653 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -15.903 -9.111 5.840 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -16.611 -7.612 5.193 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -14.988 -8.126 4.674 1.00 0.00 H new ATOM 1144 N VAL A 72 -13.443 -5.790 8.234 1.00 0.00 N ATOM 1145 CA VAL A 72 -12.915 -5.168 9.431 1.00 0.00 C ATOM 1146 C VAL A 72 -12.249 -3.835 9.079 1.00 0.00 C ATOM 1147 O VAL A 72 -11.449 -3.732 8.157 1.00 0.00 O ATOM 1148 CB VAL A 72 -11.915 -6.118 10.084 1.00 0.00 C ATOM 1149 CG1 VAL A 72 -12.589 -7.452 10.410 1.00 0.00 C ATOM 1150 CG2 VAL A 72 -10.697 -6.327 9.183 1.00 0.00 C ATOM 0 H VAL A 72 -13.177 -6.763 8.085 1.00 0.00 H new ATOM 0 HA VAL A 72 -13.725 -4.966 10.132 1.00 0.00 H new ATOM 0 HB VAL A 72 -11.568 -5.671 11.015 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -11.865 -8.121 10.875 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -13.419 -7.282 11.095 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -12.963 -7.905 9.492 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -9.998 -7.008 9.669 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -11.017 -6.753 8.232 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -10.207 -5.370 9.005 1.00 0.00 H new ATOM 1160 N LYS A 73 -12.647 -2.829 9.877 1.00 0.00 N ATOM 1161 CA LYS A 73 -12.117 -1.501 9.632 1.00 0.00 C ATOM 1162 C LYS A 73 -10.819 -1.306 10.412 1.00 0.00 C ATOM 1163 O LYS A 73 -10.258 -2.234 10.983 1.00 0.00 O ATOM 1164 CB LYS A 73 -13.142 -0.455 10.071 1.00 0.00 C ATOM 1165 CG LYS A 73 -14.467 -0.622 9.332 1.00 0.00 C ATOM 1166 CD LYS A 73 -15.542 0.332 9.854 1.00 0.00 C ATOM 1167 CE LYS A 73 -16.875 0.133 9.132 1.00 0.00 C ATOM 1168 NZ LYS A 73 -16.786 0.434 7.708 1.00 0.00 N ATOM 0 H LYS A 73 -13.301 -2.912 10.656 1.00 0.00 H new ATOM 0 HA LYS A 73 -11.913 -1.387 8.567 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -13.311 -0.538 11.145 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -12.745 0.543 9.887 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -14.312 -0.445 8.268 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -14.813 -1.650 9.438 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -15.680 0.174 10.924 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -15.208 1.362 9.725 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -17.206 -0.897 9.263 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -17.631 0.771 9.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -17.690 0.828 7.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -16.027 1.127 7.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -16.577 -0.438 7.181 1.00 0.00 H new ATOM 1182 N PHE A 74 -10.393 -0.032 10.400 1.00 0.00 N ATOM 1183 CA PHE A 74 -9.182 0.287 11.131 1.00 0.00 C ATOM 1184 C PHE A 74 -9.230 1.753 11.565 1.00 0.00 C ATOM 1185 O PHE A 74 -9.583 2.641 10.799 1.00 0.00 O ATOM 1186 CB PHE A 74 -7.932 0.057 10.274 1.00 0.00 C ATOM 1187 CG PHE A 74 -7.922 -1.282 9.592 1.00 0.00 C ATOM 1188 CD1 PHE A 74 -7.654 -2.480 10.346 1.00 0.00 C ATOM 1189 CD2 PHE A 74 -8.185 -1.379 8.179 1.00 0.00 C ATOM 1190 CE1 PHE A 74 -7.649 -3.763 9.694 1.00 0.00 C ATOM 1191 CE2 PHE A 74 -8.180 -2.660 7.524 1.00 0.00 C ATOM 1192 CZ PHE A 74 -7.911 -3.852 8.283 1.00 0.00 C ATOM 0 H PHE A 74 -10.846 0.745 9.919 1.00 0.00 H new ATOM 0 HA PHE A 74 -9.125 -0.369 12.000 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -7.866 0.842 9.521 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -7.046 0.144 10.903 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -7.456 -2.415 11.406 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -8.387 -0.485 7.608 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -7.449 -4.658 10.264 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -8.378 -2.727 6.464 1.00 0.00 H new ATOM 0 HZ PHE A 74 -7.906 -4.814 7.793 1.00 0.00 H new ATOM 1202 N ASN A 75 -8.853 1.942 12.841 1.00 0.00 N ATOM 1203 CA ASN A 75 -8.822 3.307 13.339 1.00 0.00 C ATOM 1204 C ASN A 75 -7.776 4.182 12.608 1.00 0.00 C ATOM 1205 O ASN A 75 -7.826 5.404 12.672 1.00 0.00 O ATOM 1206 CB ASN A 75 -8.539 3.291 14.840 1.00 0.00 C ATOM 1207 CG ASN A 75 -9.560 2.400 15.551 1.00 0.00 C ATOM 1208 OD1 ASN A 75 -9.878 1.301 15.112 1.00 0.00 O ATOM 1209 ND2 ASN A 75 -10.052 2.956 16.673 1.00 0.00 N ATOM 0 H ASN A 75 -8.583 1.213 13.501 1.00 0.00 H new ATOM 0 HA ASN A 75 -9.797 3.753 13.144 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -7.530 2.923 15.025 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -8.587 4.304 15.239 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -10.745 2.455 17.229 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -9.732 3.878 16.968 1.00 0.00 H new ATOM 1216 N SER A 76 -6.841 3.502 11.912 1.00 0.00 N ATOM 1217 CA SER A 76 -5.864 4.237 11.134 1.00 0.00 C ATOM 1218 C SER A 76 -5.113 3.257 10.232 1.00 0.00 C ATOM 1219 O SER A 76 -5.100 2.054 10.462 1.00 0.00 O ATOM 1220 CB SER A 76 -4.882 4.960 12.058 1.00 0.00 C ATOM 1221 OG SER A 76 -5.558 5.833 12.926 1.00 0.00 O ATOM 0 H SER A 76 -6.754 2.486 11.881 1.00 0.00 H new ATOM 0 HA SER A 76 -6.372 4.985 10.524 1.00 0.00 H new ATOM 0 HB2 SER A 76 -4.318 4.230 12.638 1.00 0.00 H new ATOM 0 HB3 SER A 76 -4.161 5.520 11.462 1.00 0.00 H new ATOM 0 HG SER A 76 -6.444 6.038 12.560 1.00 0.00 H new ATOM 1227 N LEU A 77 -4.495 3.848 9.194 1.00 0.00 N ATOM 1228 CA LEU A 77 -3.726 2.996 8.305 1.00 0.00 C ATOM 1229 C LEU A 77 -2.857 2.028 9.114 1.00 0.00 C ATOM 1230 O LEU A 77 -2.734 0.851 8.797 1.00 0.00 O ATOM 1231 CB LEU A 77 -2.837 3.854 7.406 1.00 0.00 C ATOM 1232 CG LEU A 77 -3.649 4.835 6.562 1.00 0.00 C ATOM 1233 CD1 LEU A 77 -2.720 5.720 5.732 1.00 0.00 C ATOM 1234 CD2 LEU A 77 -4.632 4.087 5.662 1.00 0.00 C ATOM 0 H LEU A 77 -4.513 4.843 8.968 1.00 0.00 H new ATOM 0 HA LEU A 77 -4.417 2.420 7.689 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.127 4.407 8.021 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.255 3.207 6.750 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.223 5.474 7.233 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.314 6.413 5.136 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.064 6.282 6.396 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.119 5.096 5.070 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.200 4.804 5.069 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.082 3.421 4.997 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.316 3.502 6.277 1.00 0.00 H new ATOM 1246 N ASN A 78 -2.265 2.603 10.178 1.00 0.00 N ATOM 1247 CA ASN A 78 -1.400 1.787 11.010 1.00 0.00 C ATOM 1248 C ASN A 78 -2.142 0.555 11.523 1.00 0.00 C ATOM 1249 O ASN A 78 -1.587 -0.533 11.606 1.00 0.00 O ATOM 1250 CB ASN A 78 -0.935 2.595 12.212 1.00 0.00 C ATOM 1251 CG ASN A 78 0.059 1.776 13.039 1.00 0.00 C ATOM 1252 OD1 ASN A 78 0.959 1.131 12.515 1.00 0.00 O ATOM 1253 ND2 ASN A 78 -0.174 1.847 14.362 1.00 0.00 N ATOM 0 H ASN A 78 -2.368 3.577 10.461 1.00 0.00 H new ATOM 0 HA ASN A 78 -0.550 1.473 10.404 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -0.467 3.522 11.879 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -1.791 2.873 12.827 1.00 0.00 H new ATOM 0 HD21 ASN A 78 0.424 1.338 15.013 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -0.948 2.410 14.714 1.00 0.00 H new ATOM 1260 N GLU A 79 -3.421 0.792 11.875 1.00 0.00 N ATOM 1261 CA GLU A 79 -4.192 -0.327 12.371 1.00 0.00 C ATOM 1262 C GLU A 79 -4.457 -1.365 11.262 1.00 0.00 C ATOM 1263 O GLU A 79 -4.590 -2.553 11.527 1.00 0.00 O ATOM 1264 CB GLU A 79 -5.502 0.192 12.949 1.00 0.00 C ATOM 1265 CG GLU A 79 -5.340 0.735 14.370 1.00 0.00 C ATOM 1266 CD GLU A 79 -4.345 1.897 14.396 1.00 0.00 C ATOM 1267 OE1 GLU A 79 -3.143 1.644 14.331 1.00 0.00 O ATOM 1268 OE2 GLU A 79 -4.784 3.042 14.490 1.00 0.00 O ATOM 0 H GLU A 79 -3.903 1.690 11.826 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.622 -0.831 13.151 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -5.893 0.980 12.305 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -6.238 -0.612 12.952 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -6.306 1.069 14.749 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -4.995 -0.060 15.031 1.00 0.00 H new ATOM 1275 N LEU A 80 -4.507 -0.854 10.015 1.00 0.00 N ATOM 1276 CA LEU A 80 -4.611 -1.766 8.892 1.00 0.00 C ATOM 1277 C LEU A 80 -3.330 -2.600 8.804 1.00 0.00 C ATOM 1278 O LEU A 80 -3.355 -3.817 8.668 1.00 0.00 O ATOM 1279 CB LEU A 80 -4.826 -0.950 7.616 1.00 0.00 C ATOM 1280 CG LEU A 80 -5.062 -1.803 6.367 1.00 0.00 C ATOM 1281 CD1 LEU A 80 -5.761 -0.963 5.300 1.00 0.00 C ATOM 1282 CD2 LEU A 80 -3.757 -2.377 5.807 1.00 0.00 C ATOM 0 H LEU A 80 -4.478 0.138 9.780 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.454 -2.444 9.021 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.680 -0.288 7.759 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.955 -0.315 7.451 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.693 -2.645 6.652 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.929 -1.571 4.411 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.718 -0.610 5.684 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.136 -0.108 5.043 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.973 -2.975 4.922 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.086 -1.561 5.539 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.282 -3.004 6.561 1.00 0.00 H new ATOM 1294 N VAL A 81 -2.215 -1.853 8.900 1.00 0.00 N ATOM 1295 CA VAL A 81 -0.920 -2.509 8.868 1.00 0.00 C ATOM 1296 C VAL A 81 -0.722 -3.431 10.084 1.00 0.00 C ATOM 1297 O VAL A 81 -0.042 -4.445 10.002 1.00 0.00 O ATOM 1298 CB VAL A 81 0.175 -1.443 8.832 1.00 0.00 C ATOM 1299 CG1 VAL A 81 1.562 -2.075 8.955 1.00 0.00 C ATOM 1300 CG2 VAL A 81 0.072 -0.622 7.547 1.00 0.00 C ATOM 0 H VAL A 81 -2.193 -0.838 8.996 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.867 -3.132 7.975 1.00 0.00 H new ATOM 0 HB VAL A 81 0.032 -0.779 9.685 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.322 -1.294 8.926 1.00 0.00 H new ATOM 0 HG12 VAL A 81 1.633 -2.616 9.899 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.721 -2.766 8.128 1.00 0.00 H new ATOM 0 HG21 VAL A 81 0.858 0.134 7.534 1.00 0.00 H new ATOM 0 HG22 VAL A 81 0.187 -1.279 6.685 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -0.902 -0.134 7.504 1.00 0.00 H new ATOM 1310 N ASP A 82 -1.347 -3.025 11.206 1.00 0.00 N ATOM 1311 CA ASP A 82 -1.199 -3.813 12.416 1.00 0.00 C ATOM 1312 C ASP A 82 -2.034 -5.091 12.317 1.00 0.00 C ATOM 1313 O ASP A 82 -1.592 -6.177 12.672 1.00 0.00 O ATOM 1314 CB ASP A 82 -1.643 -2.984 13.623 1.00 0.00 C ATOM 1315 CG ASP A 82 -0.784 -1.723 13.731 1.00 0.00 C ATOM 1316 OD1 ASP A 82 0.231 -1.642 13.041 1.00 0.00 O ATOM 1317 OD2 ASP A 82 -1.142 -0.833 14.502 1.00 0.00 O ATOM 0 H ASP A 82 -1.931 -2.193 11.288 1.00 0.00 H new ATOM 0 HA ASP A 82 -0.152 -4.091 12.538 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -2.694 -2.712 13.522 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -1.553 -3.575 14.534 1.00 0.00 H new ATOM 1322 N TYR A 83 -3.260 -4.893 11.801 1.00 0.00 N ATOM 1323 CA TYR A 83 -4.087 -6.066 11.594 1.00 0.00 C ATOM 1324 C TYR A 83 -3.363 -7.029 10.648 1.00 0.00 C ATOM 1325 O TYR A 83 -3.270 -8.227 10.891 1.00 0.00 O ATOM 1326 CB TYR A 83 -5.442 -5.661 11.015 1.00 0.00 C ATOM 1327 CG TYR A 83 -6.354 -6.845 10.896 1.00 0.00 C ATOM 1328 CD1 TYR A 83 -6.242 -7.738 9.772 1.00 0.00 C ATOM 1329 CD2 TYR A 83 -7.349 -7.099 11.906 1.00 0.00 C ATOM 1330 CE1 TYR A 83 -7.117 -8.875 9.656 1.00 0.00 C ATOM 1331 CE2 TYR A 83 -8.225 -8.235 11.794 1.00 0.00 C ATOM 1332 CZ TYR A 83 -8.109 -9.123 10.668 1.00 0.00 C ATOM 1333 OH TYR A 83 -8.948 -10.212 10.559 1.00 0.00 O ATOM 0 H TYR A 83 -3.668 -3.995 11.540 1.00 0.00 H new ATOM 0 HA TYR A 83 -4.262 -6.564 12.548 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -5.902 -4.906 11.652 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -5.301 -5.207 10.034 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -5.497 -7.554 9.012 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -7.438 -6.433 12.752 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -7.029 -9.541 8.810 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -8.969 -8.421 12.555 1.00 0.00 H new ATOM 0 HH TYR A 83 -9.557 -10.234 11.326 1.00 0.00 H new ATOM 1343 N HIS A 84 -2.840 -6.417 9.568 1.00 0.00 N ATOM 1344 CA HIS A 84 -2.011 -7.200 8.669 1.00 0.00 C ATOM 1345 C HIS A 84 -0.524 -7.087 9.052 1.00 0.00 C ATOM 1346 O HIS A 84 0.352 -7.135 8.197 1.00 0.00 O ATOM 1347 CB HIS A 84 -2.206 -6.712 7.233 1.00 0.00 C ATOM 1348 CG HIS A 84 -3.646 -6.902 6.819 1.00 0.00 C ATOM 1349 ND1 HIS A 84 -4.341 -8.046 7.004 1.00 0.00 N ATOM 1350 CD2 HIS A 84 -4.487 -5.969 6.188 1.00 0.00 C ATOM 1351 CE1 HIS A 84 -5.567 -7.814 6.502 1.00 0.00 C ATOM 1352 NE2 HIS A 84 -5.684 -6.570 6.002 1.00 0.00 N ATOM 0 H HIS A 84 -2.973 -5.438 9.316 1.00 0.00 H new ATOM 0 HA HIS A 84 -2.311 -8.245 8.749 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -1.932 -5.660 7.156 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -1.549 -7.262 6.560 1.00 0.00 H new ATOM 0 HD1 HIS A 84 -4.005 -8.907 7.435 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -4.226 -4.960 5.905 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -6.365 -8.542 6.500 1.00 0.00 H new ATOM 1360 N ARG A 85 -0.288 -6.939 10.372 1.00 0.00 N ATOM 1361 CA ARG A 85 1.092 -6.881 10.823 1.00 0.00 C ATOM 1362 C ARG A 85 1.962 -7.894 10.061 1.00 0.00 C ATOM 1363 O ARG A 85 3.117 -7.633 9.747 1.00 0.00 O ATOM 1364 CB ARG A 85 1.138 -7.129 12.328 1.00 0.00 C ATOM 1365 CG ARG A 85 0.601 -8.507 12.709 1.00 0.00 C ATOM 1366 CD ARG A 85 0.528 -8.671 14.227 1.00 0.00 C ATOM 1367 NE ARG A 85 0.112 -10.019 14.566 1.00 0.00 N ATOM 1368 CZ ARG A 85 -1.182 -10.356 14.412 1.00 0.00 C ATOM 1369 NH1 ARG A 85 -2.059 -9.465 13.957 1.00 0.00 N ATOM 1370 NH2 ARG A 85 -1.587 -11.586 14.716 1.00 0.00 N ATOM 0 H ARG A 85 -1.000 -6.862 11.099 1.00 0.00 H new ATOM 0 HA ARG A 85 1.499 -5.891 10.616 1.00 0.00 H new ATOM 0 HB2 ARG A 85 2.166 -7.034 12.678 1.00 0.00 H new ATOM 0 HB3 ARG A 85 0.555 -6.362 12.838 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -0.390 -8.646 12.277 1.00 0.00 H new ATOM 0 HG3 ARG A 85 1.244 -9.280 12.287 1.00 0.00 H new ATOM 0 HD2 ARG A 85 1.501 -8.461 14.670 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -0.175 -7.950 14.645 1.00 0.00 H new ATOM 0 HE ARG A 85 0.788 -10.699 14.915 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -1.752 -8.521 13.723 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -3.038 -9.726 13.842 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -0.917 -12.272 15.065 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -2.567 -11.843 14.600 1.00 0.00 H new ATOM 1384 N SER A 86 1.328 -9.042 9.754 1.00 0.00 N ATOM 1385 CA SER A 86 1.989 -9.957 8.846 1.00 0.00 C ATOM 1386 C SER A 86 1.567 -9.602 7.418 1.00 0.00 C ATOM 1387 O SER A 86 2.280 -8.928 6.686 1.00 0.00 O ATOM 1388 CB SER A 86 1.617 -11.400 9.191 1.00 0.00 C ATOM 1389 OG SER A 86 0.225 -11.588 9.141 1.00 0.00 O ATOM 0 H SER A 86 0.415 -9.334 10.103 1.00 0.00 H new ATOM 0 HA SER A 86 3.072 -9.868 8.935 1.00 0.00 H new ATOM 0 HB2 SER A 86 2.105 -12.081 8.494 1.00 0.00 H new ATOM 0 HB3 SER A 86 1.985 -11.646 10.187 1.00 0.00 H new ATOM 0 HG SER A 86 0.012 -12.518 9.364 1.00 0.00 H new ATOM 1395 N THR A 87 0.363 -10.095 7.076 1.00 0.00 N ATOM 1396 CA THR A 87 -0.159 -9.750 5.768 1.00 0.00 C ATOM 1397 C THR A 87 -1.618 -10.190 5.657 1.00 0.00 C ATOM 1398 O THR A 87 -2.240 -10.639 6.612 1.00 0.00 O ATOM 1399 CB THR A 87 0.644 -10.484 4.697 1.00 0.00 C ATOM 1400 OG1 THR A 87 0.255 -10.032 3.425 1.00 0.00 O ATOM 1401 CG2 THR A 87 0.413 -11.993 4.791 1.00 0.00 C ATOM 0 H THR A 87 -0.226 -10.695 7.654 1.00 0.00 H new ATOM 0 HA THR A 87 -0.085 -8.671 5.631 1.00 0.00 H new ATOM 0 HB THR A 87 1.703 -10.280 4.855 1.00 0.00 H new ATOM 0 HG1 THR A 87 0.421 -9.069 3.355 1.00 0.00 H new ATOM 0 HG21 THR A 87 0.994 -12.499 4.020 1.00 0.00 H new ATOM 0 HG22 THR A 87 0.726 -12.349 5.773 1.00 0.00 H new ATOM 0 HG23 THR A 87 -0.646 -12.209 4.648 1.00 0.00 H new ATOM 1409 N SER A 88 -2.083 -10.090 4.398 1.00 0.00 N ATOM 1410 CA SER A 88 -3.259 -10.852 4.028 1.00 0.00 C ATOM 1411 C SER A 88 -2.868 -11.774 2.856 1.00 0.00 C ATOM 1412 O SER A 88 -2.315 -12.831 3.133 1.00 0.00 O ATOM 1413 CB SER A 88 -4.483 -9.957 3.867 1.00 0.00 C ATOM 1414 OG SER A 88 -5.574 -10.675 3.346 1.00 0.00 O ATOM 0 H SER A 88 -1.676 -9.514 3.661 1.00 0.00 H new ATOM 0 HA SER A 88 -3.599 -11.519 4.820 1.00 0.00 H new ATOM 0 HB2 SER A 88 -4.754 -9.530 4.833 1.00 0.00 H new ATOM 0 HB3 SER A 88 -4.243 -9.124 3.206 1.00 0.00 H new ATOM 0 HG SER A 88 -6.166 -10.064 2.860 1.00 0.00 H new ATOM 1420 N VAL A 89 -3.093 -11.433 1.561 1.00 0.00 N ATOM 1421 CA VAL A 89 -3.824 -10.342 0.914 1.00 0.00 C ATOM 1422 C VAL A 89 -4.526 -10.894 -0.339 1.00 0.00 C ATOM 1423 O VAL A 89 -4.526 -10.297 -1.406 1.00 0.00 O ATOM 1424 CB VAL A 89 -2.833 -9.231 0.540 1.00 0.00 C ATOM 1425 CG1 VAL A 89 -1.922 -8.923 1.724 1.00 0.00 C ATOM 1426 CG2 VAL A 89 -1.963 -9.598 -0.667 1.00 0.00 C ATOM 0 H VAL A 89 -2.690 -12.029 0.838 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.575 -9.927 1.586 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.429 -8.358 0.274 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.222 -8.134 1.449 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.525 -8.595 2.571 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.367 -9.820 1.999 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.281 -8.777 -0.887 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -1.388 -10.496 -0.442 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -2.600 -9.782 -1.532 1.00 0.00 H new ATOM 1436 N SER A 90 -5.082 -12.104 -0.136 1.00 0.00 N ATOM 1437 CA SER A 90 -5.271 -12.964 -1.286 1.00 0.00 C ATOM 1438 C SER A 90 -5.495 -14.403 -0.804 1.00 0.00 C ATOM 1439 O SER A 90 -6.619 -14.859 -0.634 1.00 0.00 O ATOM 1440 CB SER A 90 -4.012 -12.881 -2.160 1.00 0.00 C ATOM 1441 OG SER A 90 -3.987 -13.916 -3.109 1.00 0.00 O ATOM 0 H SER A 90 -5.387 -12.479 0.762 1.00 0.00 H new ATOM 0 HA SER A 90 -6.139 -12.651 -1.867 1.00 0.00 H new ATOM 0 HB2 SER A 90 -3.981 -11.917 -2.668 1.00 0.00 H new ATOM 0 HB3 SER A 90 -3.124 -12.939 -1.531 1.00 0.00 H new ATOM 0 HG SER A 90 -3.176 -13.840 -3.654 1.00 0.00 H new ATOM 1447 N ARG A 91 -4.348 -15.079 -0.603 1.00 0.00 N ATOM 1448 CA ARG A 91 -4.419 -16.460 -0.145 1.00 0.00 C ATOM 1449 C ARG A 91 -4.178 -16.615 1.375 1.00 0.00 C ATOM 1450 O ARG A 91 -4.105 -17.726 1.882 1.00 0.00 O ATOM 1451 CB ARG A 91 -3.377 -17.283 -0.899 1.00 0.00 C ATOM 1452 CG ARG A 91 -3.575 -17.201 -2.413 1.00 0.00 C ATOM 1453 CD ARG A 91 -2.557 -18.057 -3.166 1.00 0.00 C ATOM 1454 NE ARG A 91 -2.787 -17.960 -4.595 1.00 0.00 N ATOM 1455 CZ ARG A 91 -2.321 -18.938 -5.395 1.00 0.00 C ATOM 1456 NH1 ARG A 91 -1.664 -19.972 -4.877 1.00 0.00 N ATOM 1457 NH2 ARG A 91 -2.520 -18.870 -6.708 1.00 0.00 N ATOM 0 H ARG A 91 -3.409 -14.706 -0.745 1.00 0.00 H new ATOM 0 HA ARG A 91 -5.431 -16.812 -0.344 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -2.379 -16.928 -0.643 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -3.436 -18.324 -0.581 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -4.583 -17.529 -2.666 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -3.487 -16.164 -2.735 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -1.546 -17.727 -2.929 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -2.636 -19.096 -2.846 1.00 0.00 H new ATOM 0 HE ARG A 91 -3.293 -17.165 -4.987 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -1.511 -20.027 -3.870 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -1.313 -20.710 -5.487 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -3.025 -18.078 -7.107 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -2.168 -19.609 -7.316 1.00 0.00 H new ATOM 1471 N ASN A 92 -4.059 -15.462 2.064 1.00 0.00 N ATOM 1472 CA ASN A 92 -3.886 -15.473 3.508 1.00 0.00 C ATOM 1473 C ASN A 92 -2.800 -16.462 3.965 1.00 0.00 C ATOM 1474 O ASN A 92 -2.827 -16.958 5.086 1.00 0.00 O ATOM 1475 CB ASN A 92 -5.224 -15.769 4.184 1.00 0.00 C ATOM 1476 CG ASN A 92 -5.761 -17.131 3.745 1.00 0.00 C ATOM 1477 OD1 ASN A 92 -6.763 -17.240 3.050 1.00 0.00 O ATOM 1478 ND2 ASN A 92 -5.020 -18.156 4.199 1.00 0.00 N ATOM 0 H ASN A 92 -4.080 -14.534 1.642 1.00 0.00 H new ATOM 0 HA ASN A 92 -3.542 -14.484 3.810 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -5.102 -15.753 5.267 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -5.944 -14.990 3.933 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -5.280 -19.115 3.968 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -4.197 -17.975 4.774 1.00 0.00 H new ATOM 1485 N GLN A 93 -1.838 -16.702 3.055 1.00 0.00 N ATOM 1486 CA GLN A 93 -0.721 -17.531 3.470 1.00 0.00 C ATOM 1487 C GLN A 93 0.416 -17.527 2.434 1.00 0.00 C ATOM 1488 O GLN A 93 1.129 -18.509 2.275 1.00 0.00 O ATOM 1489 CB GLN A 93 -1.199 -18.963 3.707 1.00 0.00 C ATOM 1490 CG GLN A 93 -1.638 -19.650 2.412 1.00 0.00 C ATOM 1491 CD GLN A 93 -2.127 -21.067 2.718 1.00 0.00 C ATOM 1492 OE1 GLN A 93 -1.413 -22.048 2.550 1.00 0.00 O ATOM 1493 NE2 GLN A 93 -3.394 -21.100 3.167 1.00 0.00 N ATOM 0 H GLN A 93 -1.816 -16.356 2.096 1.00 0.00 H new ATOM 0 HA GLN A 93 -0.326 -17.113 4.396 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -0.397 -19.540 4.168 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -2.031 -18.954 4.411 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -2.433 -19.076 1.936 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -0.806 -19.686 1.709 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -3.919 -20.232 3.278 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -3.831 -21.993 3.397 1.00 0.00 H new ATOM 1502 N GLN A 94 0.541 -16.374 1.748 1.00 0.00 N ATOM 1503 CA GLN A 94 1.610 -16.270 0.766 1.00 0.00 C ATOM 1504 C GLN A 94 1.946 -14.799 0.485 1.00 0.00 C ATOM 1505 O GLN A 94 2.216 -14.413 -0.646 1.00 0.00 O ATOM 1506 CB GLN A 94 1.190 -16.944 -0.543 1.00 0.00 C ATOM 1507 CG GLN A 94 0.973 -18.450 -0.391 1.00 0.00 C ATOM 1508 CD GLN A 94 2.271 -19.120 0.063 1.00 0.00 C ATOM 1509 OE1 GLN A 94 2.277 -20.043 0.869 1.00 0.00 O ATOM 1510 NE2 GLN A 94 3.365 -18.584 -0.506 1.00 0.00 N ATOM 0 H GLN A 94 -0.053 -15.551 1.853 1.00 0.00 H new ATOM 0 HA GLN A 94 2.491 -16.768 1.171 1.00 0.00 H new ATOM 0 HB2 GLN A 94 0.270 -16.484 -0.905 1.00 0.00 H new ATOM 0 HB3 GLN A 94 1.954 -16.766 -1.299 1.00 0.00 H new ATOM 0 HG2 GLN A 94 0.182 -18.641 0.334 1.00 0.00 H new ATOM 0 HG3 GLN A 94 0.646 -18.877 -1.339 1.00 0.00 H new ATOM 0 HE21 GLN A 94 3.270 -17.815 -1.169 1.00 0.00 H new ATOM 0 HE22 GLN A 94 4.290 -18.946 -0.274 1.00 0.00 H new ATOM 1519 N ILE A 95 1.894 -14.003 1.570 1.00 0.00 N ATOM 1520 CA ILE A 95 2.113 -12.581 1.377 1.00 0.00 C ATOM 1521 C ILE A 95 2.903 -12.023 2.569 1.00 0.00 C ATOM 1522 O ILE A 95 3.036 -12.659 3.608 1.00 0.00 O ATOM 1523 CB ILE A 95 0.758 -11.872 1.238 1.00 0.00 C ATOM 1524 CG1 ILE A 95 -0.169 -12.601 0.259 1.00 0.00 C ATOM 1525 CG2 ILE A 95 0.927 -10.408 0.827 1.00 0.00 C ATOM 1526 CD1 ILE A 95 0.180 -12.328 -1.205 1.00 0.00 C ATOM 0 H ILE A 95 1.713 -14.306 2.527 1.00 0.00 H new ATOM 0 HA ILE A 95 2.689 -12.410 0.468 1.00 0.00 H new ATOM 0 HB ILE A 95 0.290 -11.896 2.222 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -0.116 -13.673 0.446 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -1.199 -12.295 0.445 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -0.053 -9.939 0.739 1.00 0.00 H new ATOM 0 HG22 ILE A 95 1.513 -9.884 1.582 1.00 0.00 H new ATOM 0 HG23 ILE A 95 1.442 -10.357 -0.133 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -0.510 -12.871 -1.851 1.00 0.00 H new ATOM 0 HD12 ILE A 95 0.100 -11.259 -1.405 1.00 0.00 H new ATOM 0 HD13 ILE A 95 1.199 -12.659 -1.404 1.00 0.00 H new ATOM 1538 N PHE A 96 3.423 -10.802 2.348 1.00 0.00 N ATOM 1539 CA PHE A 96 4.115 -10.144 3.440 1.00 0.00 C ATOM 1540 C PHE A 96 3.974 -8.623 3.306 1.00 0.00 C ATOM 1541 O PHE A 96 3.782 -8.088 2.221 1.00 0.00 O ATOM 1542 CB PHE A 96 5.591 -10.546 3.432 1.00 0.00 C ATOM 1543 CG PHE A 96 5.750 -12.032 3.573 1.00 0.00 C ATOM 1544 CD1 PHE A 96 5.780 -12.872 2.404 1.00 0.00 C ATOM 1545 CD2 PHE A 96 5.873 -12.627 4.879 1.00 0.00 C ATOM 1546 CE1 PHE A 96 5.932 -14.297 2.537 1.00 0.00 C ATOM 1547 CE2 PHE A 96 6.026 -14.052 5.015 1.00 0.00 C ATOM 1548 CZ PHE A 96 6.054 -14.886 3.844 1.00 0.00 C ATOM 0 H PHE A 96 3.377 -10.285 1.470 1.00 0.00 H new ATOM 0 HA PHE A 96 3.672 -10.453 4.387 1.00 0.00 H new ATOM 0 HB2 PHE A 96 6.056 -10.214 2.504 1.00 0.00 H new ATOM 0 HB3 PHE A 96 6.112 -10.043 4.247 1.00 0.00 H new ATOM 0 HD1 PHE A 96 5.688 -12.431 1.423 1.00 0.00 H new ATOM 0 HD2 PHE A 96 5.850 -12.002 5.759 1.00 0.00 H new ATOM 0 HE1 PHE A 96 5.954 -14.923 1.657 1.00 0.00 H new ATOM 0 HE2 PHE A 96 6.120 -14.494 5.996 1.00 0.00 H new ATOM 0 HZ PHE A 96 6.167 -15.955 3.946 1.00 0.00 H new ATOM 1558 N LEU A 97 4.096 -7.964 4.474 1.00 0.00 N ATOM 1559 CA LEU A 97 4.208 -6.518 4.424 1.00 0.00 C ATOM 1560 C LEU A 97 5.578 -6.103 4.967 1.00 0.00 C ATOM 1561 O LEU A 97 5.760 -5.870 6.156 1.00 0.00 O ATOM 1562 CB LEU A 97 3.105 -5.842 5.243 1.00 0.00 C ATOM 1563 CG LEU A 97 1.701 -6.092 4.687 1.00 0.00 C ATOM 1564 CD1 LEU A 97 0.664 -5.288 5.475 1.00 0.00 C ATOM 1565 CD2 LEU A 97 1.626 -5.736 3.201 1.00 0.00 C ATOM 0 H LEU A 97 4.118 -8.387 5.402 1.00 0.00 H new ATOM 0 HA LEU A 97 4.099 -6.200 3.387 1.00 0.00 H new ATOM 0 HB2 LEU A 97 3.151 -6.203 6.270 1.00 0.00 H new ATOM 0 HB3 LEU A 97 3.291 -4.768 5.274 1.00 0.00 H new ATOM 0 HG LEU A 97 1.481 -7.154 4.794 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.329 -5.477 5.067 1.00 0.00 H new ATOM 0 HD12 LEU A 97 0.690 -5.589 6.522 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.892 -4.225 5.397 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.617 -5.923 2.832 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.872 -4.683 3.066 1.00 0.00 H new ATOM 0 HD23 LEU A 97 2.335 -6.348 2.644 1.00 0.00 H new ATOM 1577 N ARG A 98 6.519 -6.018 4.008 1.00 0.00 N ATOM 1578 CA ARG A 98 7.857 -5.594 4.374 1.00 0.00 C ATOM 1579 C ARG A 98 8.550 -5.016 3.132 1.00 0.00 C ATOM 1580 O ARG A 98 7.910 -4.448 2.256 1.00 0.00 O ATOM 1581 CB ARG A 98 8.637 -6.787 4.940 1.00 0.00 C ATOM 1582 CG ARG A 98 7.946 -7.429 6.144 1.00 0.00 C ATOM 1583 CD ARG A 98 8.791 -8.547 6.753 1.00 0.00 C ATOM 1584 NE ARG A 98 10.070 -8.022 7.194 1.00 0.00 N ATOM 1585 CZ ARG A 98 10.930 -8.851 7.817 1.00 0.00 C ATOM 1586 NH1 ARG A 98 10.606 -10.124 8.022 1.00 0.00 N ATOM 1587 NH2 ARG A 98 12.108 -8.393 8.229 1.00 0.00 N ATOM 0 H ARG A 98 6.376 -6.229 3.020 1.00 0.00 H new ATOM 0 HA ARG A 98 7.815 -4.823 5.143 1.00 0.00 H new ATOM 0 HB2 ARG A 98 8.765 -7.536 4.158 1.00 0.00 H new ATOM 0 HB3 ARG A 98 9.634 -6.458 5.232 1.00 0.00 H new ATOM 0 HG2 ARG A 98 7.751 -6.668 6.900 1.00 0.00 H new ATOM 0 HG3 ARG A 98 6.980 -7.829 5.838 1.00 0.00 H new ATOM 0 HD2 ARG A 98 8.263 -8.995 7.595 1.00 0.00 H new ATOM 0 HD3 ARG A 98 8.947 -9.337 6.018 1.00 0.00 H new ATOM 0 HE ARG A 98 10.313 -7.044 7.035 1.00 0.00 H new ATOM 0 HH11 ARG A 98 9.702 -10.477 7.707 1.00 0.00 H new ATOM 0 HH12 ARG A 98 11.261 -10.747 8.494 1.00 0.00 H new ATOM 0 HH21 ARG A 98 12.358 -7.417 8.073 1.00 0.00 H new ATOM 0 HH22 ARG A 98 12.761 -9.018 8.701 1.00 0.00 H new ATOM 1601 N ASP A 99 9.882 -5.219 3.106 1.00 0.00 N ATOM 1602 CA ASP A 99 10.645 -4.869 1.920 1.00 0.00 C ATOM 1603 C ASP A 99 10.283 -3.457 1.440 1.00 0.00 C ATOM 1604 O ASP A 99 9.481 -2.756 2.042 1.00 0.00 O ATOM 1605 CB ASP A 99 10.370 -5.913 0.833 1.00 0.00 C ATOM 1606 CG ASP A 99 11.355 -5.761 -0.330 1.00 0.00 C ATOM 1607 OD1 ASP A 99 12.486 -5.340 -0.091 1.00 0.00 O ATOM 1608 OD2 ASP A 99 10.977 -6.061 -1.462 1.00 0.00 O ATOM 0 H ASP A 99 10.427 -5.612 3.874 1.00 0.00 H new ATOM 0 HA ASP A 99 11.710 -4.866 2.153 1.00 0.00 H new ATOM 0 HB2 ASP A 99 10.451 -6.914 1.256 1.00 0.00 H new ATOM 0 HB3 ASP A 99 9.349 -5.803 0.467 1.00 0.00 H new ATOM 1613 N ILE A 100 10.932 -3.103 0.314 1.00 0.00 N ATOM 1614 CA ILE A 100 10.666 -1.820 -0.323 1.00 0.00 C ATOM 1615 C ILE A 100 11.471 -0.645 0.273 1.00 0.00 C ATOM 1616 O ILE A 100 11.257 0.508 -0.079 1.00 0.00 O ATOM 1617 CB ILE A 100 9.162 -1.554 -0.327 1.00 0.00 C ATOM 1618 CG1 ILE A 100 8.690 -1.229 -1.742 1.00 0.00 C ATOM 1619 CG2 ILE A 100 8.759 -0.460 0.663 1.00 0.00 C ATOM 1620 CD1 ILE A 100 8.527 0.271 -1.947 1.00 0.00 C ATOM 0 H ILE A 100 11.628 -3.681 -0.157 1.00 0.00 H new ATOM 0 HA ILE A 100 11.018 -1.888 -1.352 1.00 0.00 H new ATOM 0 HB ILE A 100 8.664 -2.464 0.007 1.00 0.00 H new ATOM 0 HG12 ILE A 100 9.407 -1.620 -2.464 1.00 0.00 H new ATOM 0 HG13 ILE A 100 7.740 -1.728 -1.933 1.00 0.00 H new ATOM 0 HG21 ILE A 100 7.680 -0.310 0.620 1.00 0.00 H new ATOM 0 HG22 ILE A 100 9.044 -0.759 1.672 1.00 0.00 H new ATOM 0 HG23 ILE A 100 9.265 0.470 0.403 1.00 0.00 H new ATOM 0 HD11 ILE A 100 8.190 0.465 -2.965 1.00 0.00 H new ATOM 0 HD12 ILE A 100 7.791 0.657 -1.242 1.00 0.00 H new ATOM 0 HD13 ILE A 100 9.483 0.767 -1.781 1.00 0.00 H new ATOM 1632 N GLU A 101 12.397 -0.996 1.183 1.00 0.00 N ATOM 1633 CA GLU A 101 13.165 0.049 1.821 1.00 0.00 C ATOM 1634 C GLU A 101 14.550 -0.486 2.192 1.00 0.00 C ATOM 1635 O GLU A 101 14.806 -0.892 3.318 1.00 0.00 O ATOM 1636 CB GLU A 101 12.401 0.507 3.059 1.00 0.00 C ATOM 1637 CG GLU A 101 11.228 1.420 2.702 1.00 0.00 C ATOM 1638 CD GLU A 101 11.750 2.703 2.050 1.00 0.00 C ATOM 1639 OE1 GLU A 101 12.965 2.885 2.003 1.00 0.00 O ATOM 1640 OE2 GLU A 101 10.935 3.504 1.596 1.00 0.00 O ATOM 0 H GLU A 101 12.614 -1.950 1.472 1.00 0.00 H new ATOM 0 HA GLU A 101 13.305 0.896 1.149 1.00 0.00 H new ATOM 0 HB2 GLU A 101 12.031 -0.364 3.600 1.00 0.00 H new ATOM 0 HB3 GLU A 101 13.080 1.034 3.730 1.00 0.00 H new ATOM 0 HG2 GLU A 101 10.549 0.906 2.022 1.00 0.00 H new ATOM 0 HG3 GLU A 101 10.658 1.663 3.599 1.00 0.00 H new ATOM 1647 N GLN A 102 15.422 -0.446 1.168 1.00 0.00 N ATOM 1648 CA GLN A 102 16.770 -0.922 1.390 1.00 0.00 C ATOM 1649 C GLN A 102 17.757 0.239 1.247 1.00 0.00 C ATOM 1650 O GLN A 102 18.136 0.635 0.151 1.00 0.00 O ATOM 1651 CB GLN A 102 17.084 -2.005 0.361 1.00 0.00 C ATOM 1652 CG GLN A 102 16.162 -3.216 0.506 1.00 0.00 C ATOM 1653 CD GLN A 102 16.513 -4.265 -0.551 1.00 0.00 C ATOM 1654 OE1 GLN A 102 15.725 -4.581 -1.435 1.00 0.00 O ATOM 1655 NE2 GLN A 102 17.746 -4.778 -0.395 1.00 0.00 N ATOM 0 H GLN A 102 15.219 -0.104 0.229 1.00 0.00 H new ATOM 0 HA GLN A 102 16.859 -1.335 2.395 1.00 0.00 H new ATOM 0 HB2 GLN A 102 16.985 -1.592 -0.643 1.00 0.00 H new ATOM 0 HB3 GLN A 102 18.121 -2.323 0.474 1.00 0.00 H new ATOM 0 HG2 GLN A 102 16.263 -3.644 1.503 1.00 0.00 H new ATOM 0 HG3 GLN A 102 15.122 -2.908 0.395 1.00 0.00 H new ATOM 0 HE21 GLN A 102 18.339 -4.457 0.371 1.00 0.00 H new ATOM 0 HE22 GLN A 102 18.089 -5.488 -1.042 1.00 0.00 H new ATOM 1664 N VAL A 103 18.148 0.747 2.429 1.00 0.00 N ATOM 1665 CA VAL A 103 19.086 1.856 2.429 1.00 0.00 C ATOM 1666 C VAL A 103 19.722 2.035 3.817 1.00 0.00 C ATOM 1667 O VAL A 103 20.920 1.847 3.990 1.00 0.00 O ATOM 1668 CB VAL A 103 18.475 3.160 1.899 1.00 0.00 C ATOM 1669 CG1 VAL A 103 19.208 3.601 0.634 1.00 0.00 C ATOM 1670 CG2 VAL A 103 16.973 3.047 1.616 1.00 0.00 C ATOM 0 H VAL A 103 17.842 0.421 3.346 1.00 0.00 H new ATOM 0 HA VAL A 103 19.880 1.601 1.727 1.00 0.00 H new ATOM 0 HB VAL A 103 18.595 3.906 2.684 1.00 0.00 H new ATOM 0 HG11 VAL A 103 18.769 4.527 0.263 1.00 0.00 H new ATOM 0 HG12 VAL A 103 20.261 3.764 0.862 1.00 0.00 H new ATOM 0 HG13 VAL A 103 19.118 2.826 -0.128 1.00 0.00 H new ATOM 0 HG21 VAL A 103 16.600 4.001 1.244 1.00 0.00 H new ATOM 0 HG22 VAL A 103 16.801 2.273 0.868 1.00 0.00 H new ATOM 0 HG23 VAL A 103 16.448 2.786 2.535 1.00 0.00 H new ATOM 1680 N PRO A 104 18.871 2.407 4.804 1.00 0.00 N ATOM 1681 CA PRO A 104 19.324 2.622 6.171 1.00 0.00 C ATOM 1682 C PRO A 104 19.739 1.315 6.847 1.00 0.00 C ATOM 1683 O PRO A 104 18.970 0.368 6.952 1.00 0.00 O ATOM 1684 CB PRO A 104 18.116 3.220 6.893 1.00 0.00 C ATOM 1685 CG PRO A 104 16.903 2.867 6.027 1.00 0.00 C ATOM 1686 CD PRO A 104 17.446 2.640 4.620 1.00 0.00 C ATOM 0 HA PRO A 104 20.201 3.268 6.197 1.00 0.00 H new ATOM 0 HB2 PRO A 104 18.015 2.807 7.897 1.00 0.00 H new ATOM 0 HB3 PRO A 104 18.219 4.300 7.002 1.00 0.00 H new ATOM 0 HG2 PRO A 104 16.402 1.974 6.401 1.00 0.00 H new ATOM 0 HG3 PRO A 104 16.168 3.672 6.037 1.00 0.00 H new ATOM 0 HD2 PRO A 104 16.964 1.787 4.143 1.00 0.00 H new ATOM 0 HD3 PRO A 104 17.266 3.505 3.982 1.00 0.00 H new ATOM 1694 N GLN A 105 21.010 1.357 7.291 1.00 0.00 N ATOM 1695 CA GLN A 105 21.624 0.244 7.997 1.00 0.00 C ATOM 1696 C GLN A 105 22.419 -0.619 7.015 1.00 0.00 C ATOM 1697 O GLN A 105 21.929 -1.600 6.469 1.00 0.00 O ATOM 1698 CB GLN A 105 20.599 -0.611 8.748 1.00 0.00 C ATOM 1699 CG GLN A 105 19.722 0.217 9.688 1.00 0.00 C ATOM 1700 CD GLN A 105 18.761 -0.703 10.444 1.00 0.00 C ATOM 1701 OE1 GLN A 105 18.642 -1.889 10.159 1.00 0.00 O ATOM 1702 NE2 GLN A 105 18.091 -0.073 11.425 1.00 0.00 N ATOM 0 H GLN A 105 21.625 2.161 7.166 1.00 0.00 H new ATOM 0 HA GLN A 105 22.296 0.663 8.746 1.00 0.00 H new ATOM 0 HB2 GLN A 105 19.966 -1.129 8.028 1.00 0.00 H new ATOM 0 HB3 GLN A 105 21.120 -1.376 9.323 1.00 0.00 H new ATOM 0 HG2 GLN A 105 20.346 0.765 10.394 1.00 0.00 H new ATOM 0 HG3 GLN A 105 19.159 0.957 9.118 1.00 0.00 H new ATOM 0 HE21 GLN A 105 18.251 0.920 11.596 1.00 0.00 H new ATOM 0 HE22 GLN A 105 17.423 -0.588 11.999 1.00 0.00 H new ATOM 1711 N GLN A 106 23.680 -0.184 6.841 1.00 0.00 N ATOM 1712 CA GLN A 106 24.548 -0.928 5.948 1.00 0.00 C ATOM 1713 C GLN A 106 26.000 -0.442 6.061 1.00 0.00 C ATOM 1714 O GLN A 106 26.643 -0.101 5.076 1.00 0.00 O ATOM 1715 CB GLN A 106 24.031 -0.758 4.521 1.00 0.00 C ATOM 1716 CG GLN A 106 23.670 0.699 4.224 1.00 0.00 C ATOM 1717 CD GLN A 106 24.912 1.590 4.250 1.00 0.00 C ATOM 1718 OE1 GLN A 106 25.615 1.749 3.259 1.00 0.00 O ATOM 1719 NE2 GLN A 106 25.124 2.163 5.447 1.00 0.00 N ATOM 0 H GLN A 106 24.093 0.636 7.286 1.00 0.00 H new ATOM 0 HA GLN A 106 24.538 -1.983 6.223 1.00 0.00 H new ATOM 0 HB2 GLN A 106 24.790 -1.097 3.815 1.00 0.00 H new ATOM 0 HB3 GLN A 106 23.154 -1.388 4.373 1.00 0.00 H new ATOM 0 HG2 GLN A 106 23.191 0.766 3.247 1.00 0.00 H new ATOM 0 HG3 GLN A 106 22.948 1.055 4.959 1.00 0.00 H new ATOM 0 HE21 GLN A 106 24.487 1.976 6.222 1.00 0.00 H new ATOM 0 HE22 GLN A 106 25.921 2.785 5.581 1.00 0.00 H new ATOM 1728 N PRO A 107 26.493 -0.445 7.321 1.00 0.00 N ATOM 1729 CA PRO A 107 27.869 -0.061 7.619 1.00 0.00 C ATOM 1730 C PRO A 107 28.844 -1.049 6.967 1.00 0.00 C ATOM 1731 O PRO A 107 28.648 -1.505 5.847 1.00 0.00 O ATOM 1732 CB PRO A 107 27.904 -0.091 9.157 1.00 0.00 C ATOM 1733 CG PRO A 107 26.790 -1.056 9.565 1.00 0.00 C ATOM 1734 CD PRO A 107 25.730 -0.872 8.483 1.00 0.00 C ATOM 0 HA PRO A 107 28.168 0.912 7.230 1.00 0.00 H new ATOM 0 HB2 PRO A 107 28.873 -0.431 9.522 1.00 0.00 H new ATOM 0 HB3 PRO A 107 27.737 0.902 9.574 1.00 0.00 H new ATOM 0 HG2 PRO A 107 27.147 -2.085 9.603 1.00 0.00 H new ATOM 0 HG3 PRO A 107 26.397 -0.818 10.554 1.00 0.00 H new ATOM 0 HD2 PRO A 107 25.191 -1.799 8.289 1.00 0.00 H new ATOM 0 HD3 PRO A 107 24.989 -0.127 8.771 1.00 0.00 H new ATOM 1742 N THR A 108 29.883 -1.362 7.751 1.00 0.00 N ATOM 1743 CA THR A 108 30.880 -2.296 7.281 1.00 0.00 C ATOM 1744 C THR A 108 31.375 -3.146 8.454 1.00 0.00 C ATOM 1745 O THR A 108 31.621 -2.657 9.550 1.00 0.00 O ATOM 1746 CB THR A 108 32.046 -1.520 6.677 1.00 0.00 C ATOM 1747 OG1 THR A 108 33.052 -2.436 6.338 1.00 0.00 O ATOM 1748 CG2 THR A 108 32.611 -0.489 7.654 1.00 0.00 C ATOM 0 H THR A 108 30.043 -0.988 8.686 1.00 0.00 H new ATOM 0 HA THR A 108 30.447 -2.949 6.524 1.00 0.00 H new ATOM 0 HB THR A 108 31.689 -0.981 5.800 1.00 0.00 H new ATOM 0 HG1 THR A 108 33.812 -1.957 5.946 1.00 0.00 H new ATOM 0 HG21 THR A 108 33.439 0.041 7.184 1.00 0.00 H new ATOM 0 HG22 THR A 108 31.831 0.223 7.924 1.00 0.00 H new ATOM 0 HG23 THR A 108 32.966 -0.995 8.552 1.00 0.00 H new ATOM 1756 N TYR A 109 31.498 -4.448 8.144 1.00 0.00 N ATOM 1757 CA TYR A 109 31.968 -5.355 9.173 1.00 0.00 C ATOM 1758 C TYR A 109 33.487 -5.508 9.069 1.00 0.00 C ATOM 1759 O TYR A 109 34.027 -5.914 8.047 1.00 0.00 O ATOM 1760 CB TYR A 109 31.286 -6.714 9.016 1.00 0.00 C ATOM 1761 CG TYR A 109 31.612 -7.339 7.692 1.00 0.00 C ATOM 1762 CD1 TYR A 109 30.803 -7.052 6.535 1.00 0.00 C ATOM 1763 CD2 TYR A 109 32.738 -8.229 7.566 1.00 0.00 C ATOM 1764 CE1 TYR A 109 31.114 -7.651 5.264 1.00 0.00 C ATOM 1765 CE2 TYR A 109 33.053 -8.828 6.296 1.00 0.00 C ATOM 1766 CZ TYR A 109 32.240 -8.538 5.145 1.00 0.00 C ATOM 1767 OH TYR A 109 32.540 -9.113 3.927 1.00 0.00 O ATOM 0 H TYR A 109 31.289 -4.867 7.238 1.00 0.00 H new ATOM 0 HA TYR A 109 31.720 -4.950 10.154 1.00 0.00 H new ATOM 0 HB2 TYR A 109 31.603 -7.377 9.821 1.00 0.00 H new ATOM 0 HB3 TYR A 109 30.207 -6.594 9.108 1.00 0.00 H new ATOM 0 HD1 TYR A 109 29.959 -6.384 6.622 1.00 0.00 H new ATOM 0 HD2 TYR A 109 33.349 -8.448 8.429 1.00 0.00 H new ATOM 0 HE1 TYR A 109 30.503 -7.435 4.400 1.00 0.00 H new ATOM 0 HE2 TYR A 109 33.898 -9.494 6.207 1.00 0.00 H new ATOM 0 HH TYR A 109 33.331 -9.684 4.021 1.00 0.00 H new ATOM 1777 N VAL A 110 34.130 -5.153 10.195 1.00 0.00 N ATOM 1778 CA VAL A 110 35.577 -5.250 10.213 1.00 0.00 C ATOM 1779 C VAL A 110 36.045 -5.763 11.577 1.00 0.00 C ATOM 1780 O VAL A 110 35.760 -5.185 12.619 1.00 0.00 O ATOM 1781 CB VAL A 110 36.191 -3.883 9.922 1.00 0.00 C ATOM 1782 CG1 VAL A 110 35.738 -2.861 10.963 1.00 0.00 C ATOM 1783 CG2 VAL A 110 37.716 -3.969 9.873 1.00 0.00 C ATOM 0 H VAL A 110 33.691 -4.816 11.052 1.00 0.00 H new ATOM 0 HA VAL A 110 35.901 -5.951 9.444 1.00 0.00 H new ATOM 0 HB VAL A 110 35.842 -3.554 8.943 1.00 0.00 H new ATOM 0 HG11 VAL A 110 36.185 -1.892 10.740 1.00 0.00 H new ATOM 0 HG12 VAL A 110 34.652 -2.774 10.938 1.00 0.00 H new ATOM 0 HG13 VAL A 110 36.053 -3.187 11.954 1.00 0.00 H new ATOM 0 HG21 VAL A 110 38.130 -2.982 9.664 1.00 0.00 H new ATOM 0 HG22 VAL A 110 38.091 -4.324 10.833 1.00 0.00 H new ATOM 0 HG23 VAL A 110 38.016 -4.662 9.087 1.00 0.00 H new ATOM 1793 N GLN A 111 36.779 -6.887 11.493 1.00 0.00 N ATOM 1794 CA GLN A 111 37.282 -7.469 12.723 1.00 0.00 C ATOM 1795 C GLN A 111 38.435 -6.619 13.261 1.00 0.00 C ATOM 1796 O GLN A 111 39.453 -6.423 12.608 1.00 0.00 O ATOM 1797 CB GLN A 111 37.756 -8.899 12.461 1.00 0.00 C ATOM 1798 CG GLN A 111 38.273 -9.570 13.733 1.00 0.00 C ATOM 1799 CD GLN A 111 38.735 -10.993 13.420 1.00 0.00 C ATOM 1800 OE1 GLN A 111 38.465 -11.543 12.358 1.00 0.00 O ATOM 1801 NE2 GLN A 111 39.454 -11.544 14.414 1.00 0.00 N ATOM 0 H GLN A 111 37.020 -7.379 10.632 1.00 0.00 H new ATOM 0 HA GLN A 111 36.485 -7.493 13.466 1.00 0.00 H new ATOM 0 HB2 GLN A 111 36.934 -9.485 12.050 1.00 0.00 H new ATOM 0 HB3 GLN A 111 38.546 -8.888 11.710 1.00 0.00 H new ATOM 0 HG2 GLN A 111 39.099 -8.993 14.149 1.00 0.00 H new ATOM 0 HG3 GLN A 111 37.487 -9.591 14.488 1.00 0.00 H new ATOM 0 HE21 GLN A 111 39.633 -11.015 15.268 1.00 0.00 H new ATOM 0 HE22 GLN A 111 39.820 -12.491 14.314 1.00 0.00 H new ATOM 1810 N ALA A 112 38.200 -6.134 14.492 1.00 0.00 N ATOM 1811 CA ALA A 112 39.223 -5.312 15.110 1.00 0.00 C ATOM 1812 C ALA A 112 38.803 -4.950 16.534 1.00 0.00 C ATOM 1813 O ALA A 112 37.605 -4.799 16.773 1.00 0.00 O ATOM 1814 CB ALA A 112 39.436 -4.044 14.282 1.00 0.00 C ATOM 1815 OXT ALA A 112 39.677 -4.826 17.392 1.00 0.00 O ATOM 0 H ALA A 112 37.357 -6.291 15.044 1.00 0.00 H new ATOM 0 HA ALA A 112 40.160 -5.868 15.150 1.00 0.00 H new ATOM 0 HB1 ALA A 112 40.205 -3.429 14.749 1.00 0.00 H new ATOM 0 HB2 ALA A 112 39.751 -4.316 13.275 1.00 0.00 H new ATOM 0 HB3 ALA A 112 38.504 -3.482 14.231 1.00 0.00 H new TER 1821 ALA A 112