USER MOD reduce.3.24.130724 H: found=0, std=0, add=765, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 762 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 46 TYR OH : rot 30:sc= 0.312 USER MOD Set 1.2: A 71 LYS NZ :NH3+ -165:sc= 0.33 (180deg=0) USER MOD Set 2.1: A 21 LYS NZ :NH3+ 169:sc= 1.42 (180deg=0.165) USER MOD Set 2.2: B 102 THR OG1 : rot 79:sc= 1.31 USER MOD Set 3.1: A 20 HIS : no HD1:sc= -0.352 K(o=2.2,f=-1.1!) USER MOD Set 3.2: A 24 GLN : amide:sc= 1.19 K(o=2.2,f=-2.8!) USER MOD Set 3.3: A 29 THR OG1 : rot 31:sc= 1.36 USER MOD Set 4.1: A 12 GLN : amide:sc= 1.34 K(o=3.2,f=-4.8!) USER MOD Set 4.2: A 16 SER OG : rot 80:sc= 1.83 USER MOD Set 5.1: A 7 HIS : no HD1:sc= -0.612 K(o=0.55,f=-0.73!) USER MOD Set 5.2: A 55 TYR OH : rot 13:sc= 1.16 USER MOD Single : A 4 LYS NZ :NH3+ 156:sc= 1.01 (180deg=0.509) USER MOD Single : A 9 HIS : no HD1:sc= -0.198 X(o=-0.2,f=-0.13) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0768 USER MOD Single : A 17 HIS : no HD1:sc=-0.00809 X(o=-0.0081,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0566) USER MOD Single : A 40 MET CE :methyl -165:sc=-0.00937 (180deg=-0.733) USER MOD Single : A 42 ASN : amide:sc= 0.988 K(o=0.99,f=-0.00078) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0277) USER MOD Single : A 54 MET CE :methyl 134:sc=-0.00189 (180deg=-0.341) USER MOD Single : A 57 SER OG : rot 73:sc= 1.17 USER MOD Single : A 59 ASN : amide:sc= 0.931 K(o=0.93,f=-0.091) USER MOD Single : A 60 SER OG : rot 180:sc= 0.659 USER MOD Single : A 64 TYR OH : rot -3:sc= 1.18 USER MOD Single : A 65 TYR OH : rot -154:sc= 1.13 USER MOD Single : A 66 HIS : no HD1:sc= 0.61 K(o=0.61,f=-2.6!) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= 0.818 K(o=0.82,f=-2.5) USER MOD Single : A 77 LYS NZ :NH3+ -111:sc= 0 (180deg=-0.777) USER MOD Single : B 90 LYS NZ :NH3+ -139:sc= 0.432 (180deg=-0.0265) USER MOD Single : B 93 LYS NZ :NH3+ 179:sc= 0.661 (180deg=0.661) USER MOD Single : B 100 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 101 SER OG : rot 72:sc= 1.22 USER MOD Single : B 104 ASN : amide:sc= 0.285 K(o=0.29,f=-2.3!) USER MOD ----------------------------------------------------------------- ATOM 50 N LYS A 4 10.768 2.682 -4.643 1.00 10.00 N ATOM 51 CA LYS A 4 10.159 3.332 -5.800 1.00 10.00 C ATOM 52 C LYS A 4 11.186 4.097 -6.645 1.00 10.00 C ATOM 53 O LYS A 4 10.802 4.871 -7.520 1.00 10.00 O ATOM 54 CB LYS A 4 9.025 4.254 -5.312 1.00 10.00 C ATOM 55 CG LYS A 4 7.721 4.095 -6.104 1.00 10.00 C ATOM 56 CD LYS A 4 7.078 2.729 -5.862 1.00 10.00 C ATOM 57 CE LYS A 4 5.605 2.741 -6.258 1.00 10.00 C ATOM 58 NZ LYS A 4 4.981 1.426 -6.034 1.00 10.00 N ATOM 0 HA LYS A 4 9.747 2.566 -6.456 1.00 10.00 H new ATOM 0 HB2 LYS A 4 8.829 4.049 -4.260 1.00 10.00 H new ATOM 0 HB3 LYS A 4 9.357 5.290 -5.378 1.00 10.00 H new ATOM 0 HG2 LYS A 4 7.023 4.882 -5.818 1.00 10.00 H new ATOM 0 HG3 LYS A 4 7.923 4.219 -7.168 1.00 10.00 H new ATOM 0 HD2 LYS A 4 7.606 1.968 -6.436 1.00 10.00 H new ATOM 0 HD3 LYS A 4 7.173 2.459 -4.810 1.00 10.00 H new ATOM 0 HE2 LYS A 4 5.077 3.500 -5.681 1.00 10.00 H new ATOM 0 HE3 LYS A 4 5.511 3.017 -7.308 1.00 10.00 H new ATOM 0 HZ1 LYS A 4 3.955 1.545 -5.913 1.00 10.00 H new ATOM 0 HZ2 LYS A 4 5.165 0.811 -6.852 1.00 10.00 H new ATOM 0 HZ3 LYS A 4 5.382 0.993 -5.178 1.00 10.00 H new ATOM 72 N GLY A 5 12.486 3.938 -6.379 1.00 10.00 N ATOM 73 CA GLY A 5 13.524 4.732 -7.017 1.00 10.00 C ATOM 74 C GLY A 5 13.467 6.170 -6.506 1.00 10.00 C ATOM 75 O GLY A 5 14.256 6.554 -5.646 1.00 10.00 O ATOM 0 H GLY A 5 12.842 3.252 -5.713 1.00 10.00 H new ATOM 0 HA2 GLY A 5 14.503 4.301 -6.808 1.00 10.00 H new ATOM 0 HA3 GLY A 5 13.393 4.716 -8.099 1.00 10.00 H new ATOM 79 N TRP A 6 12.494 6.945 -6.996 1.00 10.00 N ATOM 80 CA TRP A 6 12.247 8.330 -6.596 1.00 10.00 C ATOM 81 C TRP A 6 12.173 8.457 -5.068 1.00 10.00 C ATOM 82 O TRP A 6 12.632 9.443 -4.485 1.00 10.00 O ATOM 83 CB TRP A 6 10.993 8.860 -7.306 1.00 10.00 C ATOM 84 CG TRP A 6 9.667 8.270 -6.917 1.00 10.00 C ATOM 85 CD1 TRP A 6 9.016 7.282 -7.574 1.00 10.00 C ATOM 86 CD2 TRP A 6 8.790 8.648 -5.809 1.00 10.00 C ATOM 87 NE1 TRP A 6 7.805 7.039 -6.962 1.00 10.00 N ATOM 88 CE2 TRP A 6 7.623 7.833 -5.858 1.00 10.00 C ATOM 89 CE3 TRP A 6 8.857 9.596 -4.766 1.00 10.00 C ATOM 90 CZ2 TRP A 6 6.589 7.930 -4.920 1.00 10.00 C ATOM 91 CZ3 TRP A 6 7.812 9.715 -3.829 1.00 10.00 C ATOM 92 CH2 TRP A 6 6.691 8.875 -3.896 1.00 10.00 C ATOM 0 H TRP A 6 11.838 6.614 -7.703 1.00 10.00 H new ATOM 0 HA TRP A 6 13.084 8.954 -6.908 1.00 10.00 H new ATOM 0 HB2 TRP A 6 10.943 9.936 -7.139 1.00 10.00 H new ATOM 0 HB3 TRP A 6 11.126 8.709 -8.377 1.00 10.00 H new ATOM 0 HD1 TRP A 6 9.388 6.763 -8.445 1.00 10.00 H new ATOM 0 HE1 TRP A 6 7.126 6.352 -7.290 1.00 10.00 H new ATOM 0 HE3 TRP A 6 9.721 10.239 -4.685 1.00 10.00 H new ATOM 0 HZ2 TRP A 6 5.726 7.284 -4.987 1.00 10.00 H new ATOM 0 HZ3 TRP A 6 7.875 10.461 -3.051 1.00 10.00 H new ATOM 0 HH2 TRP A 6 5.908 8.958 -3.157 1.00 10.00 H new ATOM 103 N HIS A 7 11.622 7.410 -4.445 1.00 10.00 N ATOM 104 CA HIS A 7 11.606 7.132 -3.014 1.00 10.00 C ATOM 105 C HIS A 7 12.864 7.653 -2.312 1.00 10.00 C ATOM 106 O HIS A 7 12.757 8.283 -1.263 1.00 10.00 O ATOM 107 CB HIS A 7 11.479 5.609 -2.869 1.00 10.00 C ATOM 108 CG HIS A 7 11.679 5.050 -1.485 1.00 10.00 C ATOM 109 ND1 HIS A 7 12.858 5.132 -0.746 1.00 10.00 N ATOM 110 CD2 HIS A 7 10.813 4.205 -0.856 1.00 10.00 C ATOM 111 CE1 HIS A 7 12.652 4.380 0.345 1.00 10.00 C ATOM 112 NE2 HIS A 7 11.437 3.806 0.303 1.00 10.00 N ATOM 0 H HIS A 7 11.140 6.682 -4.973 1.00 10.00 H new ATOM 0 HA HIS A 7 10.772 7.646 -2.536 1.00 10.00 H new ATOM 0 HB2 HIS A 7 10.489 5.314 -3.217 1.00 10.00 H new ATOM 0 HB3 HIS A 7 12.204 5.141 -3.535 1.00 10.00 H new ATOM 0 HD2 HIS A 7 9.833 3.908 -1.199 1.00 10.00 H new ATOM 0 HE1 HIS A 7 13.364 4.253 1.147 1.00 10.00 H new ATOM 0 HE2 HIS A 7 11.046 3.182 1.009 1.00 10.00 H new ATOM 120 N GLU A 8 14.045 7.415 -2.901 1.00 10.00 N ATOM 121 CA GLU A 8 15.326 7.782 -2.316 1.00 10.00 C ATOM 122 C GLU A 8 15.365 9.242 -1.851 1.00 10.00 C ATOM 123 O GLU A 8 15.972 9.548 -0.828 1.00 10.00 O ATOM 124 CB GLU A 8 16.461 7.449 -3.300 1.00 10.00 C ATOM 125 CG GLU A 8 16.540 8.431 -4.479 1.00 10.00 C ATOM 126 CD GLU A 8 17.494 8.000 -5.590 1.00 10.00 C ATOM 127 OE1 GLU A 8 18.140 6.941 -5.431 1.00 10.00 O ATOM 128 OE2 GLU A 8 17.562 8.757 -6.584 1.00 10.00 O ATOM 0 H GLU A 8 14.129 6.956 -3.808 1.00 10.00 H new ATOM 0 HA GLU A 8 15.469 7.190 -1.412 1.00 10.00 H new ATOM 0 HB2 GLU A 8 17.411 7.454 -2.766 1.00 10.00 H new ATOM 0 HB3 GLU A 8 16.317 6.439 -3.684 1.00 10.00 H new ATOM 0 HG2 GLU A 8 15.543 8.556 -4.900 1.00 10.00 H new ATOM 0 HG3 GLU A 8 16.853 9.406 -4.105 1.00 10.00 H new ATOM 135 N HIS A 9 14.731 10.144 -2.607 1.00 10.00 N ATOM 136 CA HIS A 9 14.669 11.551 -2.259 1.00 10.00 C ATOM 137 C HIS A 9 13.617 11.757 -1.175 1.00 10.00 C ATOM 138 O HIS A 9 13.863 12.373 -0.136 1.00 10.00 O ATOM 139 CB HIS A 9 14.321 12.385 -3.494 1.00 10.00 C ATOM 140 CG HIS A 9 15.368 12.330 -4.571 1.00 10.00 C ATOM 141 ND1 HIS A 9 16.467 13.181 -4.680 1.00 10.00 N ATOM 142 CD2 HIS A 9 15.450 11.359 -5.522 1.00 10.00 C ATOM 143 CE1 HIS A 9 17.200 12.683 -5.689 1.00 10.00 C ATOM 144 NE2 HIS A 9 16.620 11.585 -6.207 1.00 10.00 N ATOM 0 H HIS A 9 14.249 9.911 -3.475 1.00 10.00 H new ATOM 0 HA HIS A 9 15.641 11.873 -1.886 1.00 10.00 H new ATOM 0 HB2 HIS A 9 13.373 12.036 -3.903 1.00 10.00 H new ATOM 0 HB3 HIS A 9 14.176 13.422 -3.193 1.00 10.00 H new ATOM 0 HD2 HIS A 9 14.737 10.568 -5.702 1.00 10.00 H new ATOM 0 HE1 HIS A 9 18.130 13.107 -6.038 1.00 10.00 H new ATOM 0 HE2 HIS A 9 16.985 11.020 -6.974 1.00 10.00 H new ATOM 152 N VAL A 10 12.414 11.255 -1.451 1.00 10.00 N ATOM 153 CA VAL A 10 11.258 11.452 -0.599 1.00 10.00 C ATOM 154 C VAL A 10 11.337 10.510 0.603 1.00 10.00 C ATOM 155 O VAL A 10 10.657 9.485 0.695 1.00 10.00 O ATOM 156 CB VAL A 10 9.964 11.338 -1.404 1.00 10.00 C ATOM 157 CG1 VAL A 10 8.799 11.749 -0.501 1.00 10.00 C ATOM 158 CG2 VAL A 10 10.011 12.291 -2.608 1.00 10.00 C ATOM 0 H VAL A 10 12.220 10.696 -2.282 1.00 10.00 H new ATOM 0 HA VAL A 10 11.255 12.465 -0.196 1.00 10.00 H new ATOM 0 HB VAL A 10 9.841 10.314 -1.758 1.00 10.00 H new ATOM 0 HG11 VAL A 10 7.864 11.675 -1.057 1.00 10.00 H new ATOM 0 HG12 VAL A 10 8.760 11.089 0.365 1.00 10.00 H new ATOM 0 HG13 VAL A 10 8.942 12.777 -0.167 1.00 10.00 H new ATOM 0 HG21 VAL A 10 9.085 12.204 -3.177 1.00 10.00 H new ATOM 0 HG22 VAL A 10 10.126 13.316 -2.256 1.00 10.00 H new ATOM 0 HG23 VAL A 10 10.855 12.030 -3.246 1.00 10.00 H new ATOM 168 N THR A 11 12.181 10.928 1.536 1.00 10.00 N ATOM 169 CA THR A 11 12.444 10.294 2.808 1.00 10.00 C ATOM 170 C THR A 11 11.286 10.542 3.775 1.00 10.00 C ATOM 171 O THR A 11 10.468 11.448 3.581 1.00 10.00 O ATOM 172 CB THR A 11 13.759 10.859 3.363 1.00 10.00 C ATOM 173 OG1 THR A 11 13.796 12.264 3.188 1.00 10.00 O ATOM 174 CG2 THR A 11 14.961 10.244 2.645 1.00 10.00 C ATOM 0 H THR A 11 12.734 11.776 1.410 1.00 10.00 H new ATOM 0 HA THR A 11 12.536 9.215 2.681 1.00 10.00 H new ATOM 0 HB THR A 11 13.808 10.613 4.424 1.00 10.00 H new ATOM 0 HG1 THR A 11 14.637 12.616 3.546 1.00 10.00 H new ATOM 0 HG21 THR A 11 15.881 10.660 3.055 1.00 10.00 H new ATOM 0 HG22 THR A 11 14.956 9.163 2.787 1.00 10.00 H new ATOM 0 HG23 THR A 11 14.904 10.470 1.580 1.00 10.00 H new ATOM 182 N GLN A 12 11.234 9.733 4.840 1.00 10.00 N ATOM 183 CA GLN A 12 10.160 9.765 5.815 1.00 10.00 C ATOM 184 C GLN A 12 9.886 11.177 6.320 1.00 10.00 C ATOM 185 O GLN A 12 8.732 11.514 6.540 1.00 10.00 O ATOM 186 CB GLN A 12 10.437 8.777 6.954 1.00 10.00 C ATOM 187 CG GLN A 12 9.288 8.717 7.973 1.00 10.00 C ATOM 188 CD GLN A 12 7.939 8.364 7.342 1.00 10.00 C ATOM 189 OE1 GLN A 12 7.857 7.465 6.509 1.00 10.00 O ATOM 190 NE2 GLN A 12 6.870 9.072 7.703 1.00 10.00 N ATOM 0 H GLN A 12 11.948 9.034 5.043 1.00 10.00 H new ATOM 0 HA GLN A 12 9.244 9.444 5.318 1.00 10.00 H new ATOM 0 HB2 GLN A 12 10.601 7.783 6.537 1.00 10.00 H new ATOM 0 HB3 GLN A 12 11.356 9.064 7.464 1.00 10.00 H new ATOM 0 HG2 GLN A 12 9.528 7.979 8.738 1.00 10.00 H new ATOM 0 HG3 GLN A 12 9.206 9.681 8.475 1.00 10.00 H new ATOM 0 HE21 GLN A 12 6.960 9.814 8.397 1.00 10.00 H new ATOM 0 HE22 GLN A 12 5.961 8.872 7.286 1.00 10.00 H new ATOM 199 N ASP A 13 10.905 12.015 6.501 1.00 10.00 N ATOM 200 CA ASP A 13 10.705 13.384 6.952 1.00 10.00 C ATOM 201 C ASP A 13 9.784 14.145 5.993 1.00 10.00 C ATOM 202 O ASP A 13 8.824 14.777 6.430 1.00 10.00 O ATOM 203 CB ASP A 13 12.067 14.080 7.069 1.00 10.00 C ATOM 204 CG ASP A 13 13.031 13.315 7.971 1.00 10.00 C ATOM 205 OD1 ASP A 13 13.574 12.302 7.475 1.00 10.00 O ATOM 206 OD2 ASP A 13 13.191 13.741 9.134 1.00 10.00 O ATOM 0 H ASP A 13 11.881 11.765 6.340 1.00 10.00 H new ATOM 0 HA ASP A 13 10.223 13.373 7.929 1.00 10.00 H new ATOM 0 HB2 ASP A 13 12.506 14.184 6.077 1.00 10.00 H new ATOM 0 HB3 ASP A 13 11.926 15.087 7.462 1.00 10.00 H new ATOM 211 N LEU A 14 10.044 14.068 4.683 1.00 10.00 N ATOM 212 CA LEU A 14 9.187 14.731 3.709 1.00 10.00 C ATOM 213 C LEU A 14 7.811 14.064 3.704 1.00 10.00 C ATOM 214 O LEU A 14 6.800 14.759 3.724 1.00 10.00 O ATOM 215 CB LEU A 14 9.855 14.786 2.326 1.00 10.00 C ATOM 216 CG LEU A 14 8.959 15.378 1.219 1.00 10.00 C ATOM 217 CD1 LEU A 14 8.308 16.723 1.567 1.00 10.00 C ATOM 218 CD2 LEU A 14 9.762 15.572 -0.073 1.00 10.00 C ATOM 0 H LEU A 14 10.832 13.559 4.282 1.00 10.00 H new ATOM 0 HA LEU A 14 9.037 15.772 3.995 1.00 10.00 H new ATOM 0 HB2 LEU A 14 10.766 15.380 2.398 1.00 10.00 H new ATOM 0 HB3 LEU A 14 10.153 13.778 2.038 1.00 10.00 H new ATOM 0 HG LEU A 14 8.158 14.649 1.099 1.00 10.00 H new ATOM 0 HD11 LEU A 14 7.698 17.060 0.729 1.00 10.00 H new ATOM 0 HD12 LEU A 14 7.679 16.605 2.450 1.00 10.00 H new ATOM 0 HD13 LEU A 14 9.084 17.461 1.770 1.00 10.00 H new ATOM 0 HD21 LEU A 14 9.115 15.990 -0.844 1.00 10.00 H new ATOM 0 HD22 LEU A 14 10.592 16.253 0.113 1.00 10.00 H new ATOM 0 HD23 LEU A 14 10.150 14.610 -0.408 1.00 10.00 H new ATOM 230 N ARG A 15 7.746 12.728 3.735 1.00 10.00 N ATOM 231 CA ARG A 15 6.459 12.034 3.841 1.00 10.00 C ATOM 232 C ARG A 15 5.641 12.586 5.020 1.00 10.00 C ATOM 233 O ARG A 15 4.471 12.928 4.877 1.00 10.00 O ATOM 234 CB ARG A 15 6.655 10.521 3.995 1.00 10.00 C ATOM 235 CG ARG A 15 7.438 9.896 2.835 1.00 10.00 C ATOM 236 CD ARG A 15 7.570 8.386 3.045 1.00 10.00 C ATOM 237 NE ARG A 15 6.298 7.708 2.776 1.00 10.00 N ATOM 238 CZ ARG A 15 5.782 6.666 3.442 1.00 10.00 C ATOM 239 NH1 ARG A 15 6.307 6.222 4.592 1.00 10.00 N ATOM 240 NH2 ARG A 15 4.705 6.065 2.933 1.00 10.00 N ATOM 0 H ARG A 15 8.558 12.113 3.689 1.00 10.00 H new ATOM 0 HA ARG A 15 5.909 12.213 2.917 1.00 10.00 H new ATOM 0 HB2 ARG A 15 7.180 10.322 4.929 1.00 10.00 H new ATOM 0 HB3 ARG A 15 5.680 10.040 4.068 1.00 10.00 H new ATOM 0 HG2 ARG A 15 6.929 10.097 1.892 1.00 10.00 H new ATOM 0 HG3 ARG A 15 8.427 10.350 2.767 1.00 10.00 H new ATOM 0 HD2 ARG A 15 8.344 7.990 2.388 1.00 10.00 H new ATOM 0 HD3 ARG A 15 7.886 8.183 4.068 1.00 10.00 H new ATOM 0 HE ARG A 15 5.746 8.069 1.998 1.00 10.00 H new ATOM 0 HH11 ARG A 15 7.127 6.681 4.989 1.00 10.00 H new ATOM 0 HH12 ARG A 15 5.886 5.426 5.071 1.00 10.00 H new ATOM 0 HH21 ARG A 15 4.298 6.401 2.060 1.00 10.00 H new ATOM 0 HH22 ARG A 15 4.289 5.269 3.416 1.00 10.00 H new ATOM 254 N SER A 16 6.280 12.699 6.184 1.00 10.00 N ATOM 255 CA SER A 16 5.711 13.222 7.416 1.00 10.00 C ATOM 256 C SER A 16 5.240 14.669 7.227 1.00 10.00 C ATOM 257 O SER A 16 4.124 15.019 7.607 1.00 10.00 O ATOM 258 CB SER A 16 6.750 13.090 8.538 1.00 10.00 C ATOM 259 OG SER A 16 7.107 11.729 8.699 1.00 10.00 O ATOM 0 H SER A 16 7.253 12.414 6.294 1.00 10.00 H new ATOM 0 HA SER A 16 4.829 12.645 7.693 1.00 10.00 H new ATOM 0 HB2 SER A 16 7.634 13.682 8.300 1.00 10.00 H new ATOM 0 HB3 SER A 16 6.345 13.483 9.471 1.00 10.00 H new ATOM 0 HG SER A 16 7.752 11.476 8.006 1.00 10.00 H new ATOM 265 N HIS A 17 6.080 15.515 6.626 1.00 10.00 N ATOM 266 CA HIS A 17 5.727 16.899 6.333 1.00 10.00 C ATOM 267 C HIS A 17 4.481 16.942 5.431 1.00 10.00 C ATOM 268 O HIS A 17 3.540 17.689 5.687 1.00 10.00 O ATOM 269 CB HIS A 17 6.943 17.611 5.715 1.00 10.00 C ATOM 270 CG HIS A 17 7.001 19.110 5.899 1.00 10.00 C ATOM 271 ND1 HIS A 17 8.188 19.841 6.009 1.00 10.00 N ATOM 272 CD2 HIS A 17 5.938 19.968 5.961 1.00 10.00 C ATOM 273 CE1 HIS A 17 7.809 21.125 6.112 1.00 10.00 C ATOM 274 NE2 HIS A 17 6.470 21.227 6.099 1.00 10.00 N ATOM 0 H HIS A 17 7.022 15.257 6.331 1.00 10.00 H new ATOM 0 HA HIS A 17 5.468 17.432 7.248 1.00 10.00 H new ATOM 0 HB2 HIS A 17 7.848 17.178 6.142 1.00 10.00 H new ATOM 0 HB3 HIS A 17 6.960 17.396 4.647 1.00 10.00 H new ATOM 0 HD2 HIS A 17 4.891 19.708 5.911 1.00 10.00 H new ATOM 0 HE1 HIS A 17 8.488 21.961 6.194 1.00 10.00 H new ATOM 0 HE2 HIS A 17 5.938 22.093 6.178 1.00 10.00 H new ATOM 282 N LEU A 18 4.442 16.113 4.388 1.00 10.00 N ATOM 283 CA LEU A 18 3.300 16.027 3.486 1.00 10.00 C ATOM 284 C LEU A 18 2.044 15.547 4.224 1.00 10.00 C ATOM 285 O LEU A 18 0.983 16.141 4.071 1.00 10.00 O ATOM 286 CB LEU A 18 3.650 15.140 2.284 1.00 10.00 C ATOM 287 CG LEU A 18 4.713 15.775 1.375 1.00 10.00 C ATOM 288 CD1 LEU A 18 5.249 14.719 0.413 1.00 10.00 C ATOM 289 CD2 LEU A 18 4.169 16.934 0.540 1.00 10.00 C ATOM 0 H LEU A 18 5.205 15.481 4.146 1.00 10.00 H new ATOM 0 HA LEU A 18 3.069 17.023 3.107 1.00 10.00 H new ATOM 0 HB2 LEU A 18 4.011 14.175 2.641 1.00 10.00 H new ATOM 0 HB3 LEU A 18 2.748 14.948 1.703 1.00 10.00 H new ATOM 0 HG LEU A 18 5.493 16.164 2.030 1.00 10.00 H new ATOM 0 HD11 LEU A 18 6.004 15.166 -0.234 1.00 10.00 H new ATOM 0 HD12 LEU A 18 5.695 13.902 0.981 1.00 10.00 H new ATOM 0 HD13 LEU A 18 4.431 14.333 -0.196 1.00 10.00 H new ATOM 0 HD21 LEU A 18 4.967 17.341 -0.081 1.00 10.00 H new ATOM 0 HD22 LEU A 18 3.360 16.575 -0.097 1.00 10.00 H new ATOM 0 HD23 LEU A 18 3.791 17.713 1.202 1.00 10.00 H new ATOM 301 N VAL A 19 2.148 14.507 5.053 1.00 10.00 N ATOM 302 CA VAL A 19 1.077 14.093 5.958 1.00 10.00 C ATOM 303 C VAL A 19 0.578 15.293 6.774 1.00 10.00 C ATOM 304 O VAL A 19 -0.625 15.550 6.820 1.00 10.00 O ATOM 305 CB VAL A 19 1.554 12.916 6.832 1.00 10.00 C ATOM 306 CG1 VAL A 19 0.660 12.645 8.047 1.00 10.00 C ATOM 307 CG2 VAL A 19 1.617 11.633 5.996 1.00 10.00 C ATOM 0 H VAL A 19 2.984 13.925 5.115 1.00 10.00 H new ATOM 0 HA VAL A 19 0.222 13.733 5.386 1.00 10.00 H new ATOM 0 HB VAL A 19 2.538 13.205 7.201 1.00 10.00 H new ATOM 0 HG11 VAL A 19 1.060 11.803 8.613 1.00 10.00 H new ATOM 0 HG12 VAL A 19 0.633 13.530 8.683 1.00 10.00 H new ATOM 0 HG13 VAL A 19 -0.350 12.409 7.710 1.00 10.00 H new ATOM 0 HG21 VAL A 19 1.955 10.807 6.622 1.00 10.00 H new ATOM 0 HG22 VAL A 19 0.627 11.407 5.601 1.00 10.00 H new ATOM 0 HG23 VAL A 19 2.314 11.771 5.170 1.00 10.00 H new ATOM 317 N HIS A 20 1.481 16.053 7.399 1.00 10.00 N ATOM 318 CA HIS A 20 1.094 17.264 8.116 1.00 10.00 C ATOM 319 C HIS A 20 0.311 18.200 7.189 1.00 10.00 C ATOM 320 O HIS A 20 -0.776 18.645 7.548 1.00 10.00 O ATOM 321 CB HIS A 20 2.324 17.944 8.725 1.00 10.00 C ATOM 322 CG HIS A 20 2.040 19.099 9.649 1.00 10.00 C ATOM 323 ND1 HIS A 20 0.906 19.276 10.448 1.00 10.00 N ATOM 324 CD2 HIS A 20 2.983 20.021 9.992 1.00 10.00 C ATOM 325 CE1 HIS A 20 1.208 20.306 11.259 1.00 10.00 C ATOM 326 NE2 HIS A 20 2.438 20.782 10.997 1.00 10.00 N ATOM 0 H HIS A 20 2.480 15.850 7.421 1.00 10.00 H new ATOM 0 HA HIS A 20 0.435 16.998 8.942 1.00 10.00 H new ATOM 0 HB2 HIS A 20 2.896 17.196 9.274 1.00 10.00 H new ATOM 0 HB3 HIS A 20 2.959 18.299 7.914 1.00 10.00 H new ATOM 0 HD2 HIS A 20 3.966 20.132 9.559 1.00 10.00 H new ATOM 0 HE1 HIS A 20 0.550 20.699 12.020 1.00 10.00 H new ATOM 0 HE2 HIS A 20 2.887 21.570 11.463 1.00 10.00 H new ATOM 334 N LYS A 21 0.817 18.463 5.976 1.00 10.00 N ATOM 335 CA LYS A 21 0.077 19.257 5.000 1.00 10.00 C ATOM 336 C LYS A 21 -1.307 18.676 4.709 1.00 10.00 C ATOM 337 O LYS A 21 -2.250 19.450 4.590 1.00 10.00 O ATOM 338 CB LYS A 21 0.824 19.427 3.675 1.00 10.00 C ATOM 339 CG LYS A 21 2.110 20.247 3.729 1.00 10.00 C ATOM 340 CD LYS A 21 1.864 21.695 4.173 1.00 10.00 C ATOM 341 CE LYS A 21 3.099 22.576 3.953 1.00 10.00 C ATOM 342 NZ LYS A 21 3.458 22.705 2.528 1.00 10.00 N ATOM 0 H LYS A 21 1.729 18.138 5.654 1.00 10.00 H new ATOM 0 HA LYS A 21 -0.031 20.236 5.467 1.00 10.00 H new ATOM 0 HB2 LYS A 21 1.065 18.437 3.287 1.00 10.00 H new ATOM 0 HB3 LYS A 21 0.149 19.895 2.958 1.00 10.00 H new ATOM 0 HG2 LYS A 21 2.811 19.773 4.417 1.00 10.00 H new ATOM 0 HG3 LYS A 21 2.579 20.247 2.745 1.00 10.00 H new ATOM 0 HD2 LYS A 21 1.021 22.107 3.619 1.00 10.00 H new ATOM 0 HD3 LYS A 21 1.590 21.710 5.228 1.00 10.00 H new ATOM 0 HE2 LYS A 21 2.913 23.567 4.368 1.00 10.00 H new ATOM 0 HE3 LYS A 21 3.943 22.155 4.500 1.00 10.00 H new ATOM 0 HZ1 LYS A 21 4.175 23.450 2.417 1.00 10.00 H new ATOM 0 HZ2 LYS A 21 3.841 21.802 2.183 1.00 10.00 H new ATOM 0 HZ3 LYS A 21 2.611 22.954 1.978 1.00 10.00 H new ATOM 356 N LEU A 22 -1.459 17.353 4.579 1.00 10.00 N ATOM 357 CA LEU A 22 -2.785 16.761 4.433 1.00 10.00 C ATOM 358 C LEU A 22 -3.659 17.208 5.602 1.00 10.00 C ATOM 359 O LEU A 22 -4.735 17.767 5.387 1.00 10.00 O ATOM 360 CB LEU A 22 -2.752 15.227 4.355 1.00 10.00 C ATOM 361 CG LEU A 22 -2.046 14.622 3.134 1.00 10.00 C ATOM 362 CD1 LEU A 22 -2.105 13.097 3.247 1.00 10.00 C ATOM 363 CD2 LEU A 22 -2.744 15.048 1.839 1.00 10.00 C ATOM 0 H LEU A 22 -0.689 16.684 4.572 1.00 10.00 H new ATOM 0 HA LEU A 22 -3.200 17.109 3.487 1.00 10.00 H new ATOM 0 HB2 LEU A 22 -2.264 14.849 5.254 1.00 10.00 H new ATOM 0 HB3 LEU A 22 -3.779 14.862 4.372 1.00 10.00 H new ATOM 0 HG LEU A 22 -1.014 14.972 3.108 1.00 10.00 H new ATOM 0 HD11 LEU A 22 -1.608 12.649 2.387 1.00 10.00 H new ATOM 0 HD12 LEU A 22 -1.604 12.780 4.162 1.00 10.00 H new ATOM 0 HD13 LEU A 22 -3.146 12.774 3.273 1.00 10.00 H new ATOM 0 HD21 LEU A 22 -2.228 14.608 0.986 1.00 10.00 H new ATOM 0 HD22 LEU A 22 -3.778 14.705 1.853 1.00 10.00 H new ATOM 0 HD23 LEU A 22 -2.723 16.135 1.755 1.00 10.00 H new ATOM 375 N VAL A 23 -3.185 16.988 6.834 1.00 10.00 N ATOM 376 CA VAL A 23 -3.943 17.384 8.013 1.00 10.00 C ATOM 377 C VAL A 23 -4.320 18.864 7.923 1.00 10.00 C ATOM 378 O VAL A 23 -5.499 19.168 8.024 1.00 10.00 O ATOM 379 CB VAL A 23 -3.227 17.036 9.330 1.00 10.00 C ATOM 380 CG1 VAL A 23 -4.095 17.442 10.533 1.00 10.00 C ATOM 381 CG2 VAL A 23 -2.952 15.530 9.429 1.00 10.00 C ATOM 0 H VAL A 23 -2.289 16.542 7.033 1.00 10.00 H new ATOM 0 HA VAL A 23 -4.863 16.800 8.029 1.00 10.00 H new ATOM 0 HB VAL A 23 -2.283 17.581 9.340 1.00 10.00 H new ATOM 0 HG11 VAL A 23 -3.576 17.190 11.458 1.00 10.00 H new ATOM 0 HG12 VAL A 23 -4.280 18.516 10.502 1.00 10.00 H new ATOM 0 HG13 VAL A 23 -5.045 16.909 10.493 1.00 10.00 H new ATOM 0 HG21 VAL A 23 -2.445 15.314 10.370 1.00 10.00 H new ATOM 0 HG22 VAL A 23 -3.895 14.985 9.391 1.00 10.00 H new ATOM 0 HG23 VAL A 23 -2.320 15.220 8.597 1.00 10.00 H new ATOM 391 N GLN A 24 -3.367 19.774 7.695 1.00 10.00 N ATOM 392 CA GLN A 24 -3.662 21.204 7.597 1.00 10.00 C ATOM 393 C GLN A 24 -4.671 21.510 6.489 1.00 10.00 C ATOM 394 O GLN A 24 -5.649 22.216 6.711 1.00 10.00 O ATOM 395 CB GLN A 24 -2.381 22.023 7.356 1.00 10.00 C ATOM 396 CG GLN A 24 -1.313 21.871 8.445 1.00 10.00 C ATOM 397 CD GLN A 24 -1.910 21.961 9.843 1.00 10.00 C ATOM 398 OE1 GLN A 24 -2.576 22.937 10.179 1.00 10.00 O ATOM 399 NE2 GLN A 24 -1.698 20.946 10.671 1.00 10.00 N ATOM 0 H GLN A 24 -2.381 19.542 7.575 1.00 10.00 H new ATOM 0 HA GLN A 24 -4.101 21.492 8.552 1.00 10.00 H new ATOM 0 HB2 GLN A 24 -1.951 21.727 6.399 1.00 10.00 H new ATOM 0 HB3 GLN A 24 -2.649 23.076 7.273 1.00 10.00 H new ATOM 0 HG2 GLN A 24 -0.808 20.912 8.327 1.00 10.00 H new ATOM 0 HG3 GLN A 24 -0.557 22.647 8.323 1.00 10.00 H new ATOM 0 HE21 GLN A 24 -1.141 20.147 10.367 1.00 10.00 H new ATOM 0 HE22 GLN A 24 -2.092 20.964 11.612 1.00 10.00 H new ATOM 408 N ALA A 25 -4.416 21.023 5.278 1.00 10.00 N ATOM 409 CA ALA A 25 -5.199 21.364 4.102 1.00 10.00 C ATOM 410 C ALA A 25 -6.647 20.903 4.254 1.00 10.00 C ATOM 411 O ALA A 25 -7.562 21.581 3.793 1.00 10.00 O ATOM 412 CB ALA A 25 -4.549 20.766 2.856 1.00 10.00 C ATOM 0 H ALA A 25 -3.652 20.375 5.087 1.00 10.00 H new ATOM 0 HA ALA A 25 -5.218 22.448 3.994 1.00 10.00 H new ATOM 0 HB1 ALA A 25 -5.140 21.025 1.977 1.00 10.00 H new ATOM 0 HB2 ALA A 25 -3.540 21.164 2.745 1.00 10.00 H new ATOM 0 HB3 ALA A 25 -4.502 19.682 2.955 1.00 10.00 H new ATOM 418 N ILE A 26 -6.865 19.751 4.891 1.00 10.00 N ATOM 419 CA ILE A 26 -8.201 19.290 5.236 1.00 10.00 C ATOM 420 C ILE A 26 -8.746 20.102 6.420 1.00 10.00 C ATOM 421 O ILE A 26 -9.866 20.608 6.379 1.00 10.00 O ATOM 422 CB ILE A 26 -8.146 17.785 5.576 1.00 10.00 C ATOM 423 CG1 ILE A 26 -7.601 16.971 4.384 1.00 10.00 C ATOM 424 CG2 ILE A 26 -9.543 17.272 5.964 1.00 10.00 C ATOM 425 CD1 ILE A 26 -7.182 15.555 4.794 1.00 10.00 C ATOM 0 H ILE A 26 -6.120 19.117 5.179 1.00 10.00 H new ATOM 0 HA ILE A 26 -8.873 19.435 4.390 1.00 10.00 H new ATOM 0 HB ILE A 26 -7.471 17.655 6.422 1.00 10.00 H new ATOM 0 HG12 ILE A 26 -8.364 16.912 3.607 1.00 10.00 H new ATOM 0 HG13 ILE A 26 -6.746 17.491 3.952 1.00 10.00 H new ATOM 0 HG21 ILE A 26 -9.488 16.209 6.201 1.00 10.00 H new ATOM 0 HG22 ILE A 26 -9.903 17.820 6.835 1.00 10.00 H new ATOM 0 HG23 ILE A 26 -10.230 17.423 5.131 1.00 10.00 H new ATOM 0 HD11 ILE A 26 -6.805 15.020 3.922 1.00 10.00 H new ATOM 0 HD12 ILE A 26 -6.400 15.612 5.551 1.00 10.00 H new ATOM 0 HD13 ILE A 26 -8.043 15.024 5.201 1.00 10.00 H new ATOM 437 N PHE A 27 -7.947 20.179 7.486 1.00 10.00 N ATOM 438 CA PHE A 27 -8.285 20.676 8.812 1.00 10.00 C ATOM 439 C PHE A 27 -7.112 21.480 9.407 1.00 10.00 C ATOM 440 O PHE A 27 -6.255 20.909 10.082 1.00 10.00 O ATOM 441 CB PHE A 27 -8.577 19.422 9.656 1.00 10.00 C ATOM 442 CG PHE A 27 -9.295 19.635 10.973 1.00 10.00 C ATOM 443 CD1 PHE A 27 -8.592 20.096 12.101 1.00 10.00 C ATOM 444 CD2 PHE A 27 -10.613 19.161 11.122 1.00 10.00 C ATOM 445 CE1 PHE A 27 -9.210 20.112 13.361 1.00 10.00 C ATOM 446 CE2 PHE A 27 -11.221 19.152 12.388 1.00 10.00 C ATOM 447 CZ PHE A 27 -10.526 19.641 13.507 1.00 10.00 C ATOM 0 H PHE A 27 -6.976 19.872 7.436 1.00 10.00 H new ATOM 0 HA PHE A 27 -9.140 21.351 8.787 1.00 10.00 H new ATOM 0 HB2 PHE A 27 -9.172 18.737 9.052 1.00 10.00 H new ATOM 0 HB3 PHE A 27 -7.630 18.924 9.863 1.00 10.00 H new ATOM 0 HD1 PHE A 27 -7.573 20.439 11.997 1.00 10.00 H new ATOM 0 HD2 PHE A 27 -11.157 18.804 10.260 1.00 10.00 H new ATOM 0 HE1 PHE A 27 -8.673 20.487 14.220 1.00 10.00 H new ATOM 0 HE2 PHE A 27 -12.224 18.769 12.502 1.00 10.00 H new ATOM 0 HZ PHE A 27 -11.002 19.655 14.476 1.00 10.00 H new ATOM 457 N PRO A 28 -7.046 22.802 9.197 1.00 10.00 N ATOM 458 CA PRO A 28 -5.999 23.635 9.774 1.00 10.00 C ATOM 459 C PRO A 28 -5.991 23.520 11.305 1.00 10.00 C ATOM 460 O PRO A 28 -7.020 23.755 11.936 1.00 10.00 O ATOM 461 CB PRO A 28 -6.312 25.057 9.306 1.00 10.00 C ATOM 462 CG PRO A 28 -7.135 24.857 8.032 1.00 10.00 C ATOM 463 CD PRO A 28 -7.914 23.576 8.328 1.00 10.00 C ATOM 0 HA PRO A 28 -5.003 23.328 9.454 1.00 10.00 H new ATOM 0 HB2 PRO A 28 -6.872 25.611 10.060 1.00 10.00 H new ATOM 0 HB3 PRO A 28 -5.401 25.621 9.108 1.00 10.00 H new ATOM 0 HG2 PRO A 28 -7.800 25.700 7.844 1.00 10.00 H new ATOM 0 HG3 PRO A 28 -6.500 24.750 7.153 1.00 10.00 H new ATOM 0 HD2 PRO A 28 -8.865 23.795 8.814 1.00 10.00 H new ATOM 0 HD3 PRO A 28 -8.142 23.032 7.412 1.00 10.00 H new ATOM 471 N THR A 29 -4.862 23.145 11.916 1.00 10.00 N ATOM 472 CA THR A 29 -4.781 22.922 13.352 1.00 10.00 C ATOM 473 C THR A 29 -4.352 24.208 14.065 1.00 10.00 C ATOM 474 O THR A 29 -3.236 24.662 13.810 1.00 10.00 O ATOM 475 CB THR A 29 -3.759 21.815 13.628 1.00 10.00 C ATOM 476 OG1 THR A 29 -2.518 22.115 13.028 1.00 10.00 O ATOM 477 CG2 THR A 29 -4.258 20.477 13.088 1.00 10.00 C ATOM 0 H THR A 29 -3.982 22.989 11.424 1.00 10.00 H new ATOM 0 HA THR A 29 -5.761 22.625 13.727 1.00 10.00 H new ATOM 0 HB THR A 29 -3.630 21.749 14.708 1.00 10.00 H new ATOM 0 HG1 THR A 29 -2.392 23.087 13.006 1.00 10.00 H new ATOM 0 HG21 THR A 29 -3.518 19.703 13.294 1.00 10.00 H new ATOM 0 HG22 THR A 29 -5.199 20.217 13.572 1.00 10.00 H new ATOM 0 HG23 THR A 29 -4.413 20.554 12.012 1.00 10.00 H new ATOM 485 N PRO A 30 -5.160 24.764 14.987 1.00 10.00 N ATOM 486 CA PRO A 30 -4.787 25.920 15.792 1.00 10.00 C ATOM 487 C PRO A 30 -3.412 25.797 16.457 1.00 10.00 C ATOM 488 O PRO A 30 -2.680 26.780 16.526 1.00 10.00 O ATOM 489 CB PRO A 30 -5.896 26.072 16.835 1.00 10.00 C ATOM 490 CG PRO A 30 -7.116 25.503 16.116 1.00 10.00 C ATOM 491 CD PRO A 30 -6.521 24.355 15.302 1.00 10.00 C ATOM 0 HA PRO A 30 -4.692 26.798 15.153 1.00 10.00 H new ATOM 0 HB2 PRO A 30 -5.671 25.521 17.748 1.00 10.00 H new ATOM 0 HB3 PRO A 30 -6.044 27.114 17.120 1.00 10.00 H new ATOM 0 HG2 PRO A 30 -7.873 25.152 16.818 1.00 10.00 H new ATOM 0 HG3 PRO A 30 -7.594 26.247 15.478 1.00 10.00 H new ATOM 0 HD2 PRO A 30 -6.529 23.425 15.871 1.00 10.00 H new ATOM 0 HD3 PRO A 30 -7.097 24.178 14.394 1.00 10.00 H new ATOM 499 N ASP A 31 -3.072 24.610 16.975 1.00 10.00 N ATOM 500 CA ASP A 31 -1.810 24.369 17.662 1.00 10.00 C ATOM 501 C ASP A 31 -1.349 22.942 17.357 1.00 10.00 C ATOM 502 O ASP A 31 -2.173 22.036 17.472 1.00 10.00 O ATOM 503 CB ASP A 31 -2.021 24.533 19.172 1.00 10.00 C ATOM 504 CG ASP A 31 -0.693 24.603 19.919 1.00 10.00 C ATOM 505 OD1 ASP A 31 -0.006 23.558 19.956 1.00 10.00 O ATOM 506 OD2 ASP A 31 -0.380 25.698 20.431 1.00 10.00 O ATOM 0 H ASP A 31 -3.674 23.788 16.925 1.00 10.00 H new ATOM 0 HA ASP A 31 -1.055 25.079 17.325 1.00 10.00 H new ATOM 0 HB2 ASP A 31 -2.595 25.439 19.364 1.00 10.00 H new ATOM 0 HB3 ASP A 31 -2.609 23.697 19.551 1.00 10.00 H new ATOM 511 N PRO A 32 -0.071 22.703 17.019 1.00 10.00 N ATOM 512 CA PRO A 32 0.490 21.364 16.880 1.00 10.00 C ATOM 513 C PRO A 32 0.089 20.411 18.011 1.00 10.00 C ATOM 514 O PRO A 32 -0.260 19.263 17.754 1.00 10.00 O ATOM 515 CB PRO A 32 2.007 21.566 16.825 1.00 10.00 C ATOM 516 CG PRO A 32 2.136 22.938 16.167 1.00 10.00 C ATOM 517 CD PRO A 32 0.948 23.706 16.748 1.00 10.00 C ATOM 0 HA PRO A 32 0.103 20.882 15.982 1.00 10.00 H new ATOM 0 HB2 PRO A 32 2.455 21.549 17.819 1.00 10.00 H new ATOM 0 HB3 PRO A 32 2.499 20.788 16.241 1.00 10.00 H new ATOM 0 HG2 PRO A 32 3.085 23.416 16.411 1.00 10.00 H new ATOM 0 HG3 PRO A 32 2.082 22.872 15.080 1.00 10.00 H new ATOM 0 HD2 PRO A 32 1.230 24.234 17.659 1.00 10.00 H new ATOM 0 HD3 PRO A 32 0.584 24.455 16.045 1.00 10.00 H new ATOM 525 N ALA A 33 0.102 20.873 19.265 1.00 10.00 N ATOM 526 CA ALA A 33 -0.285 20.050 20.406 1.00 10.00 C ATOM 527 C ALA A 33 -1.672 19.425 20.220 1.00 10.00 C ATOM 528 O ALA A 33 -1.912 18.301 20.660 1.00 10.00 O ATOM 529 CB ALA A 33 -0.225 20.882 21.690 1.00 10.00 C ATOM 0 H ALA A 33 0.380 21.823 19.513 1.00 10.00 H new ATOM 0 HA ALA A 33 0.423 19.225 20.482 1.00 10.00 H new ATOM 0 HB1 ALA A 33 -0.515 20.263 22.539 1.00 10.00 H new ATOM 0 HB2 ALA A 33 0.791 21.249 21.839 1.00 10.00 H new ATOM 0 HB3 ALA A 33 -0.908 21.728 21.608 1.00 10.00 H new ATOM 535 N ALA A 34 -2.576 20.132 19.533 1.00 10.00 N ATOM 536 CA ALA A 34 -3.924 19.654 19.260 1.00 10.00 C ATOM 537 C ALA A 34 -3.912 18.304 18.532 1.00 10.00 C ATOM 538 O ALA A 34 -4.855 17.529 18.681 1.00 10.00 O ATOM 539 CB ALA A 34 -4.703 20.711 18.469 1.00 10.00 C ATOM 0 H ALA A 34 -2.385 21.058 19.151 1.00 10.00 H new ATOM 0 HA ALA A 34 -4.428 19.491 20.212 1.00 10.00 H new ATOM 0 HB1 ALA A 34 -5.710 20.346 18.269 1.00 10.00 H new ATOM 0 HB2 ALA A 34 -4.759 21.632 19.050 1.00 10.00 H new ATOM 0 HB3 ALA A 34 -4.194 20.908 17.525 1.00 10.00 H new ATOM 545 N LEU A 35 -2.841 17.995 17.787 1.00 10.00 N ATOM 546 CA LEU A 35 -2.672 16.705 17.124 1.00 10.00 C ATOM 547 C LEU A 35 -2.841 15.526 18.095 1.00 10.00 C ATOM 548 O LEU A 35 -3.219 14.438 17.669 1.00 10.00 O ATOM 549 CB LEU A 35 -1.306 16.630 16.422 1.00 10.00 C ATOM 550 CG LEU A 35 -1.120 17.654 15.284 1.00 10.00 C ATOM 551 CD1 LEU A 35 0.356 17.695 14.870 1.00 10.00 C ATOM 552 CD2 LEU A 35 -1.962 17.307 14.052 1.00 10.00 C ATOM 0 H LEU A 35 -2.067 18.640 17.630 1.00 10.00 H new ATOM 0 HA LEU A 35 -3.460 16.625 16.375 1.00 10.00 H new ATOM 0 HB2 LEU A 35 -0.521 16.781 17.163 1.00 10.00 H new ATOM 0 HB3 LEU A 35 -1.173 15.627 16.017 1.00 10.00 H new ATOM 0 HG LEU A 35 -1.448 18.623 15.661 1.00 10.00 H new ATOM 0 HD11 LEU A 35 0.488 18.419 14.066 1.00 10.00 H new ATOM 0 HD12 LEU A 35 0.966 17.987 15.725 1.00 10.00 H new ATOM 0 HD13 LEU A 35 0.665 16.708 14.525 1.00 10.00 H new ATOM 0 HD21 LEU A 35 -1.799 18.056 13.277 1.00 10.00 H new ATOM 0 HD22 LEU A 35 -1.670 16.326 13.676 1.00 10.00 H new ATOM 0 HD23 LEU A 35 -3.017 17.292 14.325 1.00 10.00 H new ATOM 564 N LYS A 36 -2.571 15.725 19.391 1.00 10.00 N ATOM 565 CA LYS A 36 -2.726 14.686 20.398 1.00 10.00 C ATOM 566 C LYS A 36 -4.194 14.297 20.629 1.00 10.00 C ATOM 567 O LYS A 36 -4.463 13.214 21.145 1.00 10.00 O ATOM 568 CB LYS A 36 -2.080 15.155 21.704 1.00 10.00 C ATOM 569 CG LYS A 36 -0.569 15.363 21.552 1.00 10.00 C ATOM 570 CD LYS A 36 0.029 15.853 22.878 1.00 10.00 C ATOM 571 CE LYS A 36 1.554 15.987 22.798 1.00 10.00 C ATOM 572 NZ LYS A 36 1.967 17.002 21.813 1.00 10.00 N ATOM 0 H LYS A 36 -2.239 16.614 19.764 1.00 10.00 H new ATOM 0 HA LYS A 36 -2.226 13.788 20.033 1.00 10.00 H new ATOM 0 HB2 LYS A 36 -2.544 16.088 22.024 1.00 10.00 H new ATOM 0 HB3 LYS A 36 -2.268 14.420 22.487 1.00 10.00 H new ATOM 0 HG2 LYS A 36 -0.093 14.429 21.252 1.00 10.00 H new ATOM 0 HG3 LYS A 36 -0.371 16.089 20.764 1.00 10.00 H new ATOM 0 HD2 LYS A 36 -0.408 16.817 23.140 1.00 10.00 H new ATOM 0 HD3 LYS A 36 -0.234 15.157 23.675 1.00 10.00 H new ATOM 0 HE2 LYS A 36 1.947 16.253 23.779 1.00 10.00 H new ATOM 0 HE3 LYS A 36 1.989 15.024 22.531 1.00 10.00 H new ATOM 0 HZ1 LYS A 36 2.997 17.134 21.862 1.00 10.00 H new ATOM 0 HZ2 LYS A 36 1.703 16.686 20.858 1.00 10.00 H new ATOM 0 HZ3 LYS A 36 1.492 17.903 22.023 1.00 10.00 H new ATOM 586 N ASP A 37 -5.154 15.165 20.289 1.00 10.00 N ATOM 587 CA ASP A 37 -6.569 14.874 20.492 1.00 10.00 C ATOM 588 C ASP A 37 -6.978 13.641 19.679 1.00 10.00 C ATOM 589 O ASP A 37 -6.665 13.563 18.498 1.00 10.00 O ATOM 590 CB ASP A 37 -7.403 16.093 20.085 1.00 10.00 C ATOM 591 CG ASP A 37 -8.895 15.815 20.212 1.00 10.00 C ATOM 592 OD1 ASP A 37 -9.435 15.162 19.293 1.00 10.00 O ATOM 593 OD2 ASP A 37 -9.475 16.229 21.238 1.00 10.00 O ATOM 0 H ASP A 37 -4.971 16.077 19.871 1.00 10.00 H new ATOM 0 HA ASP A 37 -6.748 14.659 21.546 1.00 10.00 H new ATOM 0 HB2 ASP A 37 -7.136 16.944 20.712 1.00 10.00 H new ATOM 0 HB3 ASP A 37 -7.169 16.368 19.057 1.00 10.00 H new ATOM 598 N ARG A 38 -7.707 12.699 20.283 1.00 10.00 N ATOM 599 CA ARG A 38 -8.065 11.418 19.673 1.00 10.00 C ATOM 600 C ARG A 38 -8.609 11.554 18.241 1.00 10.00 C ATOM 601 O ARG A 38 -8.239 10.784 17.350 1.00 10.00 O ATOM 602 CB ARG A 38 -9.053 10.697 20.602 1.00 10.00 C ATOM 603 CG ARG A 38 -9.417 9.262 20.191 1.00 10.00 C ATOM 604 CD ARG A 38 -8.202 8.329 20.096 1.00 10.00 C ATOM 605 NE ARG A 38 -7.588 8.381 18.764 1.00 10.00 N ATOM 606 CZ ARG A 38 -6.662 7.526 18.312 1.00 10.00 C ATOM 607 NH1 ARG A 38 -6.068 6.669 19.148 1.00 10.00 N ATOM 608 NH2 ARG A 38 -6.342 7.535 17.014 1.00 10.00 N ATOM 0 H ARG A 38 -8.072 12.809 21.229 1.00 10.00 H new ATOM 0 HA ARG A 38 -7.159 10.822 19.564 1.00 10.00 H new ATOM 0 HB2 ARG A 38 -8.630 10.673 21.606 1.00 10.00 H new ATOM 0 HB3 ARG A 38 -9.969 11.285 20.656 1.00 10.00 H new ATOM 0 HG2 ARG A 38 -10.124 8.853 20.913 1.00 10.00 H new ATOM 0 HG3 ARG A 38 -9.924 9.286 19.226 1.00 10.00 H new ATOM 0 HD2 ARG A 38 -7.466 8.611 20.849 1.00 10.00 H new ATOM 0 HD3 ARG A 38 -8.509 7.307 20.317 1.00 10.00 H new ATOM 0 HE ARG A 38 -7.890 9.125 18.135 1.00 10.00 H new ATOM 0 HH11 ARG A 38 -6.319 6.664 20.137 1.00 10.00 H new ATOM 0 HH12 ARG A 38 -5.363 6.020 18.797 1.00 10.00 H new ATOM 0 HH21 ARG A 38 -6.802 8.188 16.380 1.00 10.00 H new ATOM 0 HH22 ARG A 38 -5.638 6.888 16.658 1.00 10.00 H new ATOM 622 N ARG A 39 -9.494 12.525 18.001 1.00 10.00 N ATOM 623 CA ARG A 39 -10.041 12.772 16.672 1.00 10.00 C ATOM 624 C ARG A 39 -8.913 13.161 15.712 1.00 10.00 C ATOM 625 O ARG A 39 -8.835 12.651 14.593 1.00 10.00 O ATOM 626 CB ARG A 39 -11.117 13.869 16.721 1.00 10.00 C ATOM 627 CG ARG A 39 -12.473 13.411 17.281 1.00 10.00 C ATOM 628 CD ARG A 39 -12.454 12.761 18.671 1.00 10.00 C ATOM 629 NE ARG A 39 -11.845 13.625 19.694 1.00 10.00 N ATOM 630 CZ ARG A 39 -11.911 13.390 21.014 1.00 10.00 C ATOM 631 NH1 ARG A 39 -12.537 12.301 21.476 1.00 10.00 N ATOM 632 NH2 ARG A 39 -11.347 14.243 21.874 1.00 10.00 N ATOM 0 H ARG A 39 -9.847 13.156 18.720 1.00 10.00 H new ATOM 0 HA ARG A 39 -10.512 11.858 16.310 1.00 10.00 H new ATOM 0 HB2 ARG A 39 -10.748 14.695 17.329 1.00 10.00 H new ATOM 0 HB3 ARG A 39 -11.267 14.257 15.714 1.00 10.00 H new ATOM 0 HG2 ARG A 39 -13.137 14.275 17.317 1.00 10.00 H new ATOM 0 HG3 ARG A 39 -12.911 12.702 16.578 1.00 10.00 H new ATOM 0 HD2 ARG A 39 -13.474 12.518 18.968 1.00 10.00 H new ATOM 0 HD3 ARG A 39 -11.904 11.821 18.621 1.00 10.00 H new ATOM 0 HE ARG A 39 -11.341 14.455 19.381 1.00 10.00 H new ATOM 0 HH11 ARG A 39 -12.967 11.645 20.824 1.00 10.00 H new ATOM 0 HH12 ARG A 39 -12.584 12.127 22.480 1.00 10.00 H new ATOM 0 HH21 ARG A 39 -10.866 15.073 21.528 1.00 10.00 H new ATOM 0 HH22 ARG A 39 -11.397 14.064 22.877 1.00 10.00 H new ATOM 646 N MET A 40 -8.014 14.044 16.153 1.00 10.00 N ATOM 647 CA MET A 40 -6.869 14.415 15.353 1.00 10.00 C ATOM 648 C MET A 40 -5.973 13.206 15.131 1.00 10.00 C ATOM 649 O MET A 40 -5.558 12.985 14.005 1.00 10.00 O ATOM 650 CB MET A 40 -6.094 15.567 15.987 1.00 10.00 C ATOM 651 CG MET A 40 -6.889 16.873 16.034 1.00 10.00 C ATOM 652 SD MET A 40 -7.599 17.461 14.475 1.00 10.00 S ATOM 653 CE MET A 40 -6.134 17.464 13.422 1.00 10.00 C ATOM 0 H MET A 40 -8.066 14.509 17.059 1.00 10.00 H new ATOM 0 HA MET A 40 -7.227 14.764 14.385 1.00 10.00 H new ATOM 0 HB2 MET A 40 -5.805 15.288 17.000 1.00 10.00 H new ATOM 0 HB3 MET A 40 -5.173 15.729 15.426 1.00 10.00 H new ATOM 0 HG2 MET A 40 -7.701 16.749 16.751 1.00 10.00 H new ATOM 0 HG3 MET A 40 -6.236 17.653 16.424 1.00 10.00 H new ATOM 0 HE1 MET A 40 -6.335 18.043 12.521 1.00 10.00 H new ATOM 0 HE2 MET A 40 -5.299 17.911 13.962 1.00 10.00 H new ATOM 0 HE3 MET A 40 -5.882 16.440 13.146 1.00 10.00 H new ATOM 663 N GLU A 41 -5.700 12.396 16.155 1.00 10.00 N ATOM 664 CA GLU A 41 -4.916 11.179 15.990 1.00 10.00 C ATOM 665 C GLU A 41 -5.517 10.287 14.895 1.00 10.00 C ATOM 666 O GLU A 41 -4.793 9.740 14.066 1.00 10.00 O ATOM 667 CB GLU A 41 -4.776 10.438 17.326 1.00 10.00 C ATOM 668 CG GLU A 41 -4.001 11.264 18.363 1.00 10.00 C ATOM 669 CD GLU A 41 -3.791 10.499 19.667 1.00 10.00 C ATOM 670 OE1 GLU A 41 -4.783 9.917 20.158 1.00 10.00 O ATOM 671 OE2 GLU A 41 -2.635 10.494 20.142 1.00 10.00 O ATOM 0 H GLU A 41 -6.014 12.565 17.111 1.00 10.00 H new ATOM 0 HA GLU A 41 -3.912 11.453 15.666 1.00 10.00 H new ATOM 0 HB2 GLU A 41 -5.766 10.203 17.716 1.00 10.00 H new ATOM 0 HB3 GLU A 41 -4.265 9.489 17.163 1.00 10.00 H new ATOM 0 HG2 GLU A 41 -3.033 11.547 17.950 1.00 10.00 H new ATOM 0 HG3 GLU A 41 -4.543 12.187 18.568 1.00 10.00 H new ATOM 678 N ASN A 42 -6.847 10.163 14.859 1.00 10.00 N ATOM 679 CA ASN A 42 -7.522 9.469 13.761 1.00 10.00 C ATOM 680 C ASN A 42 -7.258 10.152 12.414 1.00 10.00 C ATOM 681 O ASN A 42 -6.906 9.481 11.446 1.00 10.00 O ATOM 682 CB ASN A 42 -9.028 9.316 14.011 1.00 10.00 C ATOM 683 CG ASN A 42 -9.324 8.173 14.973 1.00 10.00 C ATOM 684 OD1 ASN A 42 -9.538 7.041 14.557 1.00 10.00 O ATOM 685 ND2 ASN A 42 -9.322 8.452 16.271 1.00 10.00 N ATOM 0 H ASN A 42 -7.474 10.532 15.574 1.00 10.00 H new ATOM 0 HA ASN A 42 -7.096 8.467 13.719 1.00 10.00 H new ATOM 0 HB2 ASN A 42 -9.426 10.246 14.417 1.00 10.00 H new ATOM 0 HB3 ASN A 42 -9.538 9.137 13.065 1.00 10.00 H new ATOM 0 HD21 ASN A 42 -9.502 7.714 16.952 1.00 10.00 H new ATOM 0 HD22 ASN A 42 -9.140 9.404 16.588 1.00 10.00 H new ATOM 692 N LEU A 43 -7.424 11.475 12.322 1.00 10.00 N ATOM 693 CA LEU A 43 -7.211 12.191 11.063 1.00 10.00 C ATOM 694 C LEU A 43 -5.757 12.051 10.587 1.00 10.00 C ATOM 695 O LEU A 43 -5.493 11.844 9.406 1.00 10.00 O ATOM 696 CB LEU A 43 -7.640 13.659 11.217 1.00 10.00 C ATOM 697 CG LEU A 43 -7.500 14.490 9.928 1.00 10.00 C ATOM 698 CD1 LEU A 43 -8.283 13.903 8.748 1.00 10.00 C ATOM 699 CD2 LEU A 43 -8.016 15.910 10.178 1.00 10.00 C ATOM 0 H LEU A 43 -7.704 12.069 13.102 1.00 10.00 H new ATOM 0 HA LEU A 43 -7.833 11.744 10.288 1.00 10.00 H new ATOM 0 HB2 LEU A 43 -8.678 13.691 11.547 1.00 10.00 H new ATOM 0 HB3 LEU A 43 -7.042 14.121 12.002 1.00 10.00 H new ATOM 0 HG LEU A 43 -6.441 14.485 9.668 1.00 10.00 H new ATOM 0 HD11 LEU A 43 -8.144 14.533 7.870 1.00 10.00 H new ATOM 0 HD12 LEU A 43 -7.920 12.898 8.534 1.00 10.00 H new ATOM 0 HD13 LEU A 43 -9.343 13.860 9.000 1.00 10.00 H new ATOM 0 HD21 LEU A 43 -7.917 16.499 9.266 1.00 10.00 H new ATOM 0 HD22 LEU A 43 -9.065 15.870 10.472 1.00 10.00 H new ATOM 0 HD23 LEU A 43 -7.434 16.374 10.974 1.00 10.00 H new ATOM 711 N VAL A 44 -4.811 12.135 11.519 1.00 10.00 N ATOM 712 CA VAL A 44 -3.395 11.886 11.313 1.00 10.00 C ATOM 713 C VAL A 44 -3.212 10.467 10.772 1.00 10.00 C ATOM 714 O VAL A 44 -2.547 10.284 9.757 1.00 10.00 O ATOM 715 CB VAL A 44 -2.646 12.117 12.638 1.00 10.00 C ATOM 716 CG1 VAL A 44 -1.205 11.593 12.590 1.00 10.00 C ATOM 717 CG2 VAL A 44 -2.607 13.606 13.011 1.00 10.00 C ATOM 0 H VAL A 44 -5.026 12.391 12.483 1.00 10.00 H new ATOM 0 HA VAL A 44 -2.977 12.573 10.577 1.00 10.00 H new ATOM 0 HB VAL A 44 -3.202 11.561 13.393 1.00 10.00 H new ATOM 0 HG11 VAL A 44 -0.718 11.779 13.547 1.00 10.00 H new ATOM 0 HG12 VAL A 44 -1.214 10.522 12.390 1.00 10.00 H new ATOM 0 HG13 VAL A 44 -0.658 12.106 11.799 1.00 10.00 H new ATOM 0 HG21 VAL A 44 -2.071 13.732 13.952 1.00 10.00 H new ATOM 0 HG22 VAL A 44 -2.098 14.165 12.226 1.00 10.00 H new ATOM 0 HG23 VAL A 44 -3.625 13.980 13.121 1.00 10.00 H new ATOM 727 N ALA A 45 -3.801 9.461 11.426 1.00 10.00 N ATOM 728 CA ALA A 45 -3.733 8.082 10.956 1.00 10.00 C ATOM 729 C ALA A 45 -4.249 7.970 9.518 1.00 10.00 C ATOM 730 O ALA A 45 -3.586 7.374 8.670 1.00 10.00 O ATOM 731 CB ALA A 45 -4.491 7.151 11.908 1.00 10.00 C ATOM 0 H ALA A 45 -4.333 9.582 12.288 1.00 10.00 H new ATOM 0 HA ALA A 45 -2.689 7.767 10.950 1.00 10.00 H new ATOM 0 HB1 ALA A 45 -4.429 6.127 11.541 1.00 10.00 H new ATOM 0 HB2 ALA A 45 -4.048 7.208 12.902 1.00 10.00 H new ATOM 0 HB3 ALA A 45 -5.536 7.456 11.959 1.00 10.00 H new ATOM 737 N TYR A 46 -5.412 8.565 9.229 1.00 10.00 N ATOM 738 CA TYR A 46 -5.947 8.612 7.874 1.00 10.00 C ATOM 739 C TYR A 46 -4.924 9.227 6.918 1.00 10.00 C ATOM 740 O TYR A 46 -4.619 8.645 5.882 1.00 10.00 O ATOM 741 CB TYR A 46 -7.275 9.383 7.831 1.00 10.00 C ATOM 742 CG TYR A 46 -7.872 9.447 6.437 1.00 10.00 C ATOM 743 CD1 TYR A 46 -8.563 8.335 5.924 1.00 10.00 C ATOM 744 CD2 TYR A 46 -7.603 10.549 5.601 1.00 10.00 C ATOM 745 CE1 TYR A 46 -8.988 8.324 4.584 1.00 10.00 C ATOM 746 CE2 TYR A 46 -8.025 10.534 4.259 1.00 10.00 C ATOM 747 CZ TYR A 46 -8.712 9.420 3.749 1.00 10.00 C ATOM 748 OH TYR A 46 -9.100 9.396 2.442 1.00 10.00 O ATOM 0 H TYR A 46 -6.001 9.022 9.925 1.00 10.00 H new ATOM 0 HA TYR A 46 -6.148 7.591 7.550 1.00 10.00 H new ATOM 0 HB2 TYR A 46 -7.988 8.908 8.505 1.00 10.00 H new ATOM 0 HB3 TYR A 46 -7.114 10.396 8.199 1.00 10.00 H new ATOM 0 HD1 TYR A 46 -8.768 7.487 6.561 1.00 10.00 H new ATOM 0 HD2 TYR A 46 -7.073 11.405 5.991 1.00 10.00 H new ATOM 0 HE1 TYR A 46 -9.527 7.472 4.196 1.00 10.00 H new ATOM 0 HE2 TYR A 46 -7.820 11.380 3.620 1.00 10.00 H new ATOM 0 HH TYR A 46 -9.910 8.851 2.351 1.00 10.00 H new ATOM 758 N ALA A 47 -4.396 10.403 7.258 1.00 10.00 N ATOM 759 CA ALA A 47 -3.418 11.103 6.442 1.00 10.00 C ATOM 760 C ALA A 47 -2.187 10.229 6.171 1.00 10.00 C ATOM 761 O ALA A 47 -1.743 10.132 5.029 1.00 10.00 O ATOM 762 CB ALA A 47 -3.050 12.429 7.111 1.00 10.00 C ATOM 0 H ALA A 47 -4.641 10.897 8.116 1.00 10.00 H new ATOM 0 HA ALA A 47 -3.856 11.322 5.468 1.00 10.00 H new ATOM 0 HB1 ALA A 47 -2.317 12.954 6.499 1.00 10.00 H new ATOM 0 HB2 ALA A 47 -3.944 13.045 7.215 1.00 10.00 H new ATOM 0 HB3 ALA A 47 -2.627 12.234 8.097 1.00 10.00 H new ATOM 768 N LYS A 48 -1.646 9.574 7.202 1.00 10.00 N ATOM 769 CA LYS A 48 -0.544 8.631 7.056 1.00 10.00 C ATOM 770 C LYS A 48 -0.921 7.516 6.079 1.00 10.00 C ATOM 771 O LYS A 48 -0.202 7.268 5.113 1.00 10.00 O ATOM 772 CB LYS A 48 -0.147 8.045 8.419 1.00 10.00 C ATOM 773 CG LYS A 48 0.576 9.075 9.292 1.00 10.00 C ATOM 774 CD LYS A 48 0.928 8.464 10.651 1.00 10.00 C ATOM 775 CE LYS A 48 1.770 9.446 11.472 1.00 10.00 C ATOM 776 NZ LYS A 48 2.063 8.911 12.813 1.00 10.00 N ATOM 0 H LYS A 48 -1.965 9.687 8.164 1.00 10.00 H new ATOM 0 HA LYS A 48 0.316 9.167 6.653 1.00 10.00 H new ATOM 0 HB2 LYS A 48 -1.039 7.692 8.937 1.00 10.00 H new ATOM 0 HB3 LYS A 48 0.498 7.179 8.269 1.00 10.00 H new ATOM 0 HG2 LYS A 48 1.483 9.414 8.792 1.00 10.00 H new ATOM 0 HG3 LYS A 48 -0.057 9.951 9.432 1.00 10.00 H new ATOM 0 HD2 LYS A 48 0.016 8.215 11.193 1.00 10.00 H new ATOM 0 HD3 LYS A 48 1.478 7.534 10.508 1.00 10.00 H new ATOM 0 HE2 LYS A 48 2.704 9.653 10.949 1.00 10.00 H new ATOM 0 HE3 LYS A 48 1.240 10.394 11.564 1.00 10.00 H new ATOM 0 HZ1 LYS A 48 2.634 9.599 13.344 1.00 10.00 H new ATOM 0 HZ2 LYS A 48 1.172 8.737 13.320 1.00 10.00 H new ATOM 0 HZ3 LYS A 48 2.590 8.019 12.723 1.00 10.00 H new ATOM 790 N LYS A 49 -2.047 6.844 6.331 1.00 10.00 N ATOM 791 CA LYS A 49 -2.533 5.751 5.502 1.00 10.00 C ATOM 792 C LYS A 49 -2.614 6.189 4.040 1.00 10.00 C ATOM 793 O LYS A 49 -2.057 5.545 3.149 1.00 10.00 O ATOM 794 CB LYS A 49 -3.898 5.296 6.031 1.00 10.00 C ATOM 795 CG LYS A 49 -4.344 3.968 5.415 1.00 10.00 C ATOM 796 CD LYS A 49 -5.680 3.528 6.027 1.00 10.00 C ATOM 797 CE LYS A 49 -6.235 2.271 5.346 1.00 10.00 C ATOM 798 NZ LYS A 49 -5.348 1.107 5.520 1.00 10.00 N ATOM 0 H LYS A 49 -2.650 7.050 7.127 1.00 10.00 H new ATOM 0 HA LYS A 49 -1.841 4.910 5.550 1.00 10.00 H new ATOM 0 HB2 LYS A 49 -3.850 5.193 7.115 1.00 10.00 H new ATOM 0 HB3 LYS A 49 -4.643 6.062 5.816 1.00 10.00 H new ATOM 0 HG2 LYS A 49 -4.447 4.075 4.335 1.00 10.00 H new ATOM 0 HG3 LYS A 49 -3.586 3.204 5.589 1.00 10.00 H new ATOM 0 HD2 LYS A 49 -5.546 3.335 7.091 1.00 10.00 H new ATOM 0 HD3 LYS A 49 -6.404 4.338 5.939 1.00 10.00 H new ATOM 0 HE2 LYS A 49 -7.218 2.041 5.757 1.00 10.00 H new ATOM 0 HE3 LYS A 49 -6.371 2.466 4.282 1.00 10.00 H new ATOM 0 HZ1 LYS A 49 -5.794 0.265 5.103 1.00 10.00 H new ATOM 0 HZ2 LYS A 49 -4.440 1.289 5.046 1.00 10.00 H new ATOM 0 HZ3 LYS A 49 -5.183 0.945 6.534 1.00 10.00 H new ATOM 812 N VAL A 50 -3.322 7.291 3.801 1.00 10.00 N ATOM 813 CA VAL A 50 -3.550 7.808 2.465 1.00 10.00 C ATOM 814 C VAL A 50 -2.222 8.202 1.809 1.00 10.00 C ATOM 815 O VAL A 50 -1.974 7.806 0.675 1.00 10.00 O ATOM 816 CB VAL A 50 -4.651 8.893 2.468 1.00 10.00 C ATOM 817 CG1 VAL A 50 -4.140 10.329 2.328 1.00 10.00 C ATOM 818 CG2 VAL A 50 -5.664 8.618 1.356 1.00 10.00 C ATOM 0 H VAL A 50 -3.754 7.849 4.537 1.00 10.00 H new ATOM 0 HA VAL A 50 -3.954 7.026 1.822 1.00 10.00 H new ATOM 0 HB VAL A 50 -5.112 8.825 3.454 1.00 10.00 H new ATOM 0 HG11 VAL A 50 -4.984 11.018 2.340 1.00 10.00 H new ATOM 0 HG12 VAL A 50 -3.471 10.560 3.157 1.00 10.00 H new ATOM 0 HG13 VAL A 50 -3.600 10.433 1.387 1.00 10.00 H new ATOM 0 HG21 VAL A 50 -6.435 9.388 1.367 1.00 10.00 H new ATOM 0 HG22 VAL A 50 -5.157 8.627 0.391 1.00 10.00 H new ATOM 0 HG23 VAL A 50 -6.123 7.643 1.515 1.00 10.00 H new ATOM 828 N GLU A 51 -1.333 8.923 2.505 1.00 10.00 N ATOM 829 CA GLU A 51 -0.002 9.205 1.991 1.00 10.00 C ATOM 830 C GLU A 51 0.727 7.909 1.625 1.00 10.00 C ATOM 831 O GLU A 51 1.346 7.840 0.569 1.00 10.00 O ATOM 832 CB GLU A 51 0.767 10.086 2.982 1.00 10.00 C ATOM 833 CG GLU A 51 2.155 10.487 2.453 1.00 10.00 C ATOM 834 CD GLU A 51 3.219 9.418 2.699 1.00 10.00 C ATOM 835 OE1 GLU A 51 3.268 8.909 3.839 1.00 10.00 O ATOM 836 OE2 GLU A 51 3.972 9.140 1.740 1.00 10.00 O ATOM 0 H GLU A 51 -1.520 9.319 3.426 1.00 10.00 H new ATOM 0 HA GLU A 51 -0.078 9.772 1.063 1.00 10.00 H new ATOM 0 HB2 GLU A 51 0.187 10.985 3.191 1.00 10.00 H new ATOM 0 HB3 GLU A 51 0.881 9.553 3.926 1.00 10.00 H new ATOM 0 HG2 GLU A 51 2.087 10.685 1.383 1.00 10.00 H new ATOM 0 HG3 GLU A 51 2.465 11.417 2.930 1.00 10.00 H new ATOM 843 N GLY A 52 0.640 6.875 2.465 1.00 10.00 N ATOM 844 CA GLY A 52 1.150 5.549 2.145 1.00 10.00 C ATOM 845 C GLY A 52 0.595 5.053 0.809 1.00 10.00 C ATOM 846 O GLY A 52 1.355 4.702 -0.096 1.00 10.00 O ATOM 0 H GLY A 52 0.211 6.939 3.388 1.00 10.00 H new ATOM 0 HA2 GLY A 52 2.239 5.575 2.103 1.00 10.00 H new ATOM 0 HA3 GLY A 52 0.879 4.851 2.937 1.00 10.00 H new ATOM 850 N ASP A 53 -0.734 5.044 0.680 1.00 10.00 N ATOM 851 CA ASP A 53 -1.404 4.647 -0.551 1.00 10.00 C ATOM 852 C ASP A 53 -0.846 5.419 -1.748 1.00 10.00 C ATOM 853 O ASP A 53 -0.516 4.821 -2.771 1.00 10.00 O ATOM 854 CB ASP A 53 -2.919 4.833 -0.430 1.00 10.00 C ATOM 855 CG ASP A 53 -3.630 4.321 -1.677 1.00 10.00 C ATOM 856 OD1 ASP A 53 -3.765 3.083 -1.782 1.00 10.00 O ATOM 857 OD2 ASP A 53 -4.024 5.176 -2.499 1.00 10.00 O ATOM 0 H ASP A 53 -1.372 5.313 1.429 1.00 10.00 H new ATOM 0 HA ASP A 53 -1.210 3.588 -0.718 1.00 10.00 H new ATOM 0 HB2 ASP A 53 -3.286 4.301 0.447 1.00 10.00 H new ATOM 0 HB3 ASP A 53 -3.149 5.888 -0.282 1.00 10.00 H new ATOM 862 N MET A 54 -0.718 6.741 -1.619 1.00 10.00 N ATOM 863 CA MET A 54 -0.156 7.585 -2.663 1.00 10.00 C ATOM 864 C MET A 54 1.281 7.181 -2.990 1.00 10.00 C ATOM 865 O MET A 54 1.620 7.036 -4.161 1.00 10.00 O ATOM 866 CB MET A 54 -0.239 9.062 -2.263 1.00 10.00 C ATOM 867 CG MET A 54 -1.679 9.565 -2.089 1.00 10.00 C ATOM 868 SD MET A 54 -2.979 8.734 -3.042 1.00 10.00 S ATOM 869 CE MET A 54 -4.335 9.842 -2.657 1.00 10.00 C ATOM 0 H MET A 54 -1.003 7.253 -0.784 1.00 10.00 H new ATOM 0 HA MET A 54 -0.748 7.444 -3.567 1.00 10.00 H new ATOM 0 HB2 MET A 54 0.305 9.210 -1.330 1.00 10.00 H new ATOM 0 HB3 MET A 54 0.260 9.665 -3.022 1.00 10.00 H new ATOM 0 HG2 MET A 54 -1.936 9.489 -1.032 1.00 10.00 H new ATOM 0 HG3 MET A 54 -1.698 10.624 -2.346 1.00 10.00 H new ATOM 0 HE1 MET A 54 -4.879 10.083 -3.571 1.00 10.00 H new ATOM 0 HE2 MET A 54 -5.010 9.359 -1.950 1.00 10.00 H new ATOM 0 HE3 MET A 54 -3.942 10.758 -2.216 1.00 10.00 H new ATOM 879 N TYR A 55 2.119 6.997 -1.968 1.00 10.00 N ATOM 880 CA TYR A 55 3.517 6.606 -2.108 1.00 10.00 C ATOM 881 C TYR A 55 3.627 5.342 -2.969 1.00 10.00 C ATOM 882 O TYR A 55 4.455 5.275 -3.873 1.00 10.00 O ATOM 883 CB TYR A 55 4.135 6.428 -0.711 1.00 10.00 C ATOM 884 CG TYR A 55 5.648 6.520 -0.631 1.00 10.00 C ATOM 885 CD1 TYR A 55 6.271 7.781 -0.685 1.00 10.00 C ATOM 886 CD2 TYR A 55 6.411 5.392 -0.278 1.00 10.00 C ATOM 887 CE1 TYR A 55 7.651 7.909 -0.458 1.00 10.00 C ATOM 888 CE2 TYR A 55 7.778 5.531 0.021 1.00 10.00 C ATOM 889 CZ TYR A 55 8.404 6.785 -0.086 1.00 10.00 C ATOM 890 OH TYR A 55 9.718 6.916 0.255 1.00 10.00 O ATOM 0 H TYR A 55 1.834 7.120 -0.996 1.00 10.00 H new ATOM 0 HA TYR A 55 4.080 7.386 -2.622 1.00 10.00 H new ATOM 0 HB2 TYR A 55 3.710 7.183 -0.050 1.00 10.00 H new ATOM 0 HB3 TYR A 55 3.830 5.456 -0.323 1.00 10.00 H new ATOM 0 HD1 TYR A 55 5.682 8.659 -0.903 1.00 10.00 H new ATOM 0 HD2 TYR A 55 5.946 4.418 -0.237 1.00 10.00 H new ATOM 0 HE1 TYR A 55 8.131 8.870 -0.569 1.00 10.00 H new ATOM 0 HE2 TYR A 55 8.350 4.670 0.334 1.00 10.00 H new ATOM 0 HH TYR A 55 9.928 7.864 0.390 1.00 10.00 H new ATOM 900 N GLU A 56 2.765 4.353 -2.711 1.00 10.00 N ATOM 901 CA GLU A 56 2.707 3.128 -3.493 1.00 10.00 C ATOM 902 C GLU A 56 2.089 3.335 -4.882 1.00 10.00 C ATOM 903 O GLU A 56 2.562 2.757 -5.856 1.00 10.00 O ATOM 904 CB GLU A 56 1.930 2.082 -2.693 1.00 10.00 C ATOM 905 CG GLU A 56 2.620 1.752 -1.364 1.00 10.00 C ATOM 906 CD GLU A 56 4.013 1.165 -1.572 1.00 10.00 C ATOM 907 OE1 GLU A 56 4.098 0.155 -2.304 1.00 10.00 O ATOM 908 OE2 GLU A 56 4.973 1.743 -1.018 1.00 10.00 O ATOM 0 H GLU A 56 2.088 4.386 -1.949 1.00 10.00 H new ATOM 0 HA GLU A 56 3.726 2.785 -3.675 1.00 10.00 H new ATOM 0 HB2 GLU A 56 0.922 2.449 -2.498 1.00 10.00 H new ATOM 0 HB3 GLU A 56 1.829 1.173 -3.286 1.00 10.00 H new ATOM 0 HG2 GLU A 56 2.694 2.656 -0.760 1.00 10.00 H new ATOM 0 HG3 GLU A 56 2.009 1.044 -0.804 1.00 10.00 H new ATOM 915 N SER A 57 1.019 4.120 -4.992 1.00 10.00 N ATOM 916 CA SER A 57 0.351 4.337 -6.272 1.00 10.00 C ATOM 917 C SER A 57 1.263 5.076 -7.257 1.00 10.00 C ATOM 918 O SER A 57 1.286 4.785 -8.452 1.00 10.00 O ATOM 919 CB SER A 57 -0.942 5.129 -6.055 1.00 10.00 C ATOM 920 OG SER A 57 -1.804 4.429 -5.181 1.00 10.00 O ATOM 0 H SER A 57 0.596 4.617 -4.208 1.00 10.00 H new ATOM 0 HA SER A 57 0.112 3.364 -6.702 1.00 10.00 H new ATOM 0 HB2 SER A 57 -0.711 6.110 -5.640 1.00 10.00 H new ATOM 0 HB3 SER A 57 -1.439 5.296 -7.011 1.00 10.00 H new ATOM 0 HG SER A 57 -1.450 4.472 -4.268 1.00 10.00 H new ATOM 926 N ALA A 58 1.978 6.081 -6.759 1.00 10.00 N ATOM 927 CA ALA A 58 2.720 7.016 -7.577 1.00 10.00 C ATOM 928 C ALA A 58 4.065 6.451 -8.029 1.00 10.00 C ATOM 929 O ALA A 58 5.070 6.567 -7.330 1.00 10.00 O ATOM 930 CB ALA A 58 2.924 8.294 -6.776 1.00 10.00 C ATOM 0 H ALA A 58 2.055 6.265 -5.759 1.00 10.00 H new ATOM 0 HA ALA A 58 2.148 7.217 -8.483 1.00 10.00 H new ATOM 0 HB1 ALA A 58 3.482 9.014 -7.375 1.00 10.00 H new ATOM 0 HB2 ALA A 58 1.955 8.716 -6.512 1.00 10.00 H new ATOM 0 HB3 ALA A 58 3.482 8.069 -5.867 1.00 10.00 H new ATOM 936 N ASN A 59 4.151 5.941 -9.257 1.00 10.00 N ATOM 937 CA ASN A 59 5.434 5.521 -9.821 1.00 10.00 C ATOM 938 C ASN A 59 6.270 6.728 -10.306 1.00 10.00 C ATOM 939 O ASN A 59 6.955 6.637 -11.322 1.00 10.00 O ATOM 940 CB ASN A 59 5.186 4.479 -10.925 1.00 10.00 C ATOM 941 CG ASN A 59 6.366 3.521 -11.100 1.00 10.00 C ATOM 942 OD1 ASN A 59 6.263 2.343 -10.777 1.00 10.00 O ATOM 943 ND2 ASN A 59 7.498 4.002 -11.600 1.00 10.00 N ATOM 0 H ASN A 59 3.352 5.809 -9.878 1.00 10.00 H new ATOM 0 HA ASN A 59 6.034 5.050 -9.042 1.00 10.00 H new ATOM 0 HB2 ASN A 59 4.290 3.907 -10.686 1.00 10.00 H new ATOM 0 HB3 ASN A 59 4.995 4.991 -11.868 1.00 10.00 H new ATOM 0 HD21 ASN A 59 8.303 3.388 -11.722 1.00 10.00 H new ATOM 0 HD22 ASN A 59 7.562 4.986 -11.862 1.00 10.00 H new ATOM 950 N SER A 60 6.234 7.861 -9.591 1.00 10.00 N ATOM 951 CA SER A 60 7.098 9.022 -9.787 1.00 10.00 C ATOM 952 C SER A 60 6.832 10.030 -8.668 1.00 10.00 C ATOM 953 O SER A 60 5.719 10.106 -8.148 1.00 10.00 O ATOM 954 CB SER A 60 6.893 9.692 -11.157 1.00 10.00 C ATOM 955 OG SER A 60 5.577 10.188 -11.282 1.00 10.00 O ATOM 0 H SER A 60 5.571 7.994 -8.828 1.00 10.00 H new ATOM 0 HA SER A 60 8.132 8.677 -9.759 1.00 10.00 H new ATOM 0 HB2 SER A 60 7.606 10.507 -11.278 1.00 10.00 H new ATOM 0 HB3 SER A 60 7.092 8.973 -11.952 1.00 10.00 H new ATOM 0 HG SER A 60 5.469 10.611 -12.159 1.00 10.00 H new ATOM 961 N ARG A 61 7.844 10.833 -8.331 1.00 10.00 N ATOM 962 CA ARG A 61 7.709 11.955 -7.410 1.00 10.00 C ATOM 963 C ARG A 61 6.676 12.953 -7.945 1.00 10.00 C ATOM 964 O ARG A 61 5.836 13.463 -7.206 1.00 10.00 O ATOM 965 CB ARG A 61 9.089 12.597 -7.248 1.00 10.00 C ATOM 966 CG ARG A 61 9.159 13.649 -6.138 1.00 10.00 C ATOM 967 CD ARG A 61 10.636 13.951 -5.891 1.00 10.00 C ATOM 968 NE ARG A 61 10.846 14.885 -4.781 1.00 10.00 N ATOM 969 CZ ARG A 61 12.063 15.273 -4.372 1.00 10.00 C ATOM 970 NH1 ARG A 61 13.153 14.919 -5.063 1.00 10.00 N ATOM 971 NH2 ARG A 61 12.182 16.013 -3.269 1.00 10.00 N ATOM 0 H ARG A 61 8.789 10.718 -8.696 1.00 10.00 H new ATOM 0 HA ARG A 61 7.352 11.620 -6.436 1.00 10.00 H new ATOM 0 HB2 ARG A 61 9.820 11.816 -7.041 1.00 10.00 H new ATOM 0 HB3 ARG A 61 9.376 13.060 -8.192 1.00 10.00 H new ATOM 0 HG2 ARG A 61 8.626 14.553 -6.431 1.00 10.00 H new ATOM 0 HG3 ARG A 61 8.685 13.280 -5.228 1.00 10.00 H new ATOM 0 HD2 ARG A 61 11.163 13.020 -5.681 1.00 10.00 H new ATOM 0 HD3 ARG A 61 11.074 14.367 -6.798 1.00 10.00 H new ATOM 0 HE ARG A 61 10.029 15.257 -4.297 1.00 10.00 H new ATOM 0 HH11 ARG A 61 13.061 14.351 -5.905 1.00 10.00 H new ATOM 0 HH12 ARG A 61 14.076 15.217 -4.747 1.00 10.00 H new ATOM 0 HH21 ARG A 61 11.351 16.280 -2.742 1.00 10.00 H new ATOM 0 HH22 ARG A 61 13.104 16.312 -2.952 1.00 10.00 H new ATOM 985 N ASP A 62 6.743 13.211 -9.253 1.00 10.00 N ATOM 986 CA ASP A 62 5.811 14.069 -9.970 1.00 10.00 C ATOM 987 C ASP A 62 4.377 13.607 -9.707 1.00 10.00 C ATOM 988 O ASP A 62 3.553 14.376 -9.209 1.00 10.00 O ATOM 989 CB ASP A 62 6.129 14.055 -11.472 1.00 10.00 C ATOM 990 CG ASP A 62 7.591 14.382 -11.756 1.00 10.00 C ATOM 991 OD1 ASP A 62 8.424 13.485 -11.491 1.00 10.00 O ATOM 992 OD2 ASP A 62 7.851 15.514 -12.217 1.00 10.00 O ATOM 0 H ASP A 62 7.467 12.817 -9.854 1.00 10.00 H new ATOM 0 HA ASP A 62 5.914 15.094 -9.613 1.00 10.00 H new ATOM 0 HB2 ASP A 62 5.892 13.073 -11.882 1.00 10.00 H new ATOM 0 HB3 ASP A 62 5.492 14.776 -11.983 1.00 10.00 H new ATOM 997 N GLU A 63 4.090 12.338 -10.023 1.00 10.00 N ATOM 998 CA GLU A 63 2.775 11.770 -9.779 1.00 10.00 C ATOM 999 C GLU A 63 2.429 11.902 -8.297 1.00 10.00 C ATOM 1000 O GLU A 63 1.346 12.362 -7.965 1.00 10.00 O ATOM 1001 CB GLU A 63 2.718 10.315 -10.272 1.00 10.00 C ATOM 1002 CG GLU A 63 1.336 9.667 -10.098 1.00 10.00 C ATOM 1003 CD GLU A 63 0.243 10.422 -10.851 1.00 10.00 C ATOM 1004 OE1 GLU A 63 0.212 10.279 -12.092 1.00 10.00 O ATOM 1005 OE2 GLU A 63 -0.532 11.134 -10.176 1.00 10.00 O ATOM 0 H GLU A 63 4.756 11.692 -10.448 1.00 10.00 H new ATOM 0 HA GLU A 63 2.023 12.320 -10.344 1.00 10.00 H new ATOM 0 HB2 GLU A 63 2.995 10.285 -11.326 1.00 10.00 H new ATOM 0 HB3 GLU A 63 3.458 9.726 -9.730 1.00 10.00 H new ATOM 0 HG2 GLU A 63 1.373 8.637 -10.452 1.00 10.00 H new ATOM 0 HG3 GLU A 63 1.085 9.631 -9.038 1.00 10.00 H new ATOM 1012 N TYR A 64 3.342 11.520 -7.404 1.00 10.00 N ATOM 1013 CA TYR A 64 3.113 11.570 -5.966 1.00 10.00 C ATOM 1014 C TYR A 64 2.624 12.950 -5.515 1.00 10.00 C ATOM 1015 O TYR A 64 1.603 13.059 -4.836 1.00 10.00 O ATOM 1016 CB TYR A 64 4.390 11.138 -5.248 1.00 10.00 C ATOM 1017 CG TYR A 64 4.364 11.302 -3.749 1.00 10.00 C ATOM 1018 CD1 TYR A 64 3.606 10.425 -2.951 1.00 10.00 C ATOM 1019 CD2 TYR A 64 5.217 12.242 -3.147 1.00 10.00 C ATOM 1020 CE1 TYR A 64 3.765 10.435 -1.554 1.00 10.00 C ATOM 1021 CE2 TYR A 64 5.371 12.252 -1.756 1.00 10.00 C ATOM 1022 CZ TYR A 64 4.673 11.331 -0.961 1.00 10.00 C ATOM 1023 OH TYR A 64 4.938 11.266 0.373 1.00 10.00 O ATOM 0 H TYR A 64 4.263 11.166 -7.662 1.00 10.00 H new ATOM 0 HA TYR A 64 2.313 10.878 -5.702 1.00 10.00 H new ATOM 0 HB2 TYR A 64 4.583 10.091 -5.481 1.00 10.00 H new ATOM 0 HB3 TYR A 64 5.226 11.713 -5.647 1.00 10.00 H new ATOM 0 HD1 TYR A 64 2.904 9.746 -3.411 1.00 10.00 H new ATOM 0 HD2 TYR A 64 5.753 12.955 -3.756 1.00 10.00 H new ATOM 0 HE1 TYR A 64 3.192 9.757 -0.938 1.00 10.00 H new ATOM 0 HE2 TYR A 64 6.030 12.972 -1.293 1.00 10.00 H new ATOM 0 HH TYR A 64 4.379 10.574 0.784 1.00 10.00 H new ATOM 1033 N TYR A 65 3.327 14.014 -5.906 1.00 10.00 N ATOM 1034 CA TYR A 65 2.844 15.360 -5.635 1.00 10.00 C ATOM 1035 C TYR A 65 1.464 15.577 -6.260 1.00 10.00 C ATOM 1036 O TYR A 65 0.543 16.024 -5.572 1.00 10.00 O ATOM 1037 CB TYR A 65 3.865 16.406 -6.097 1.00 10.00 C ATOM 1038 CG TYR A 65 4.826 16.796 -4.993 1.00 10.00 C ATOM 1039 CD1 TYR A 65 4.413 17.736 -4.032 1.00 10.00 C ATOM 1040 CD2 TYR A 65 6.051 16.125 -4.832 1.00 10.00 C ATOM 1041 CE1 TYR A 65 5.239 18.038 -2.938 1.00 10.00 C ATOM 1042 CE2 TYR A 65 6.876 16.422 -3.732 1.00 10.00 C ATOM 1043 CZ TYR A 65 6.466 17.377 -2.785 1.00 10.00 C ATOM 1044 OH TYR A 65 7.266 17.693 -1.730 1.00 10.00 O ATOM 0 H TYR A 65 4.217 13.968 -6.402 1.00 10.00 H new ATOM 0 HA TYR A 65 2.728 15.481 -4.558 1.00 10.00 H new ATOM 0 HB2 TYR A 65 4.428 16.013 -6.944 1.00 10.00 H new ATOM 0 HB3 TYR A 65 3.339 17.294 -6.449 1.00 10.00 H new ATOM 0 HD1 TYR A 65 3.457 18.227 -4.136 1.00 10.00 H new ATOM 0 HD2 TYR A 65 6.359 15.382 -5.553 1.00 10.00 H new ATOM 0 HE1 TYR A 65 4.930 18.778 -2.215 1.00 10.00 H new ATOM 0 HE2 TYR A 65 7.823 15.917 -3.615 1.00 10.00 H new ATOM 0 HH TYR A 65 8.199 17.496 -1.956 1.00 10.00 H new ATOM 1054 N HIS A 66 1.317 15.257 -7.551 1.00 10.00 N ATOM 1055 CA HIS A 66 0.057 15.445 -8.257 1.00 10.00 C ATOM 1056 C HIS A 66 -1.116 14.792 -7.521 1.00 10.00 C ATOM 1057 O HIS A 66 -2.052 15.489 -7.139 1.00 10.00 O ATOM 1058 CB HIS A 66 0.140 14.960 -9.708 1.00 10.00 C ATOM 1059 CG HIS A 66 -1.165 15.171 -10.432 1.00 10.00 C ATOM 1060 ND1 HIS A 66 -1.602 16.396 -10.935 1.00 10.00 N ATOM 1061 CD2 HIS A 66 -2.193 14.271 -10.476 1.00 10.00 C ATOM 1062 CE1 HIS A 66 -2.881 16.202 -11.289 1.00 10.00 C ATOM 1063 NE2 HIS A 66 -3.264 14.942 -11.017 1.00 10.00 N ATOM 0 H HIS A 66 2.063 14.865 -8.125 1.00 10.00 H new ATOM 0 HA HIS A 66 -0.131 16.518 -8.280 1.00 10.00 H new ATOM 0 HB2 HIS A 66 0.936 15.493 -10.227 1.00 10.00 H new ATOM 0 HB3 HIS A 66 0.401 13.902 -9.726 1.00 10.00 H new ATOM 0 HD2 HIS A 66 -2.169 13.241 -10.151 1.00 10.00 H new ATOM 0 HE1 HIS A 66 -3.516 16.955 -11.732 1.00 10.00 H new ATOM 0 HE2 HIS A 66 -4.191 14.551 -11.184 1.00 10.00 H new ATOM 1071 N LEU A 67 -1.109 13.467 -7.336 1.00 10.00 N ATOM 1072 CA LEU A 67 -2.256 12.786 -6.749 1.00 10.00 C ATOM 1073 C LEU A 67 -2.493 13.175 -5.286 1.00 10.00 C ATOM 1074 O LEU A 67 -3.645 13.199 -4.858 1.00 10.00 O ATOM 1075 CB LEU A 67 -2.342 11.277 -7.066 1.00 10.00 C ATOM 1076 CG LEU A 67 -1.098 10.401 -6.858 1.00 10.00 C ATOM 1077 CD1 LEU A 67 -0.560 10.494 -5.439 1.00 10.00 C ATOM 1078 CD2 LEU A 67 -1.420 8.931 -7.149 1.00 10.00 C ATOM 0 H LEU A 67 -0.330 12.856 -7.582 1.00 10.00 H new ATOM 0 HA LEU A 67 -3.129 13.174 -7.274 1.00 10.00 H new ATOM 0 HB2 LEU A 67 -3.145 10.858 -6.459 1.00 10.00 H new ATOM 0 HB3 LEU A 67 -2.645 11.176 -8.108 1.00 10.00 H new ATOM 0 HG LEU A 67 -0.341 10.773 -7.549 1.00 10.00 H new ATOM 0 HD11 LEU A 67 0.319 9.857 -5.341 1.00 10.00 H new ATOM 0 HD12 LEU A 67 -0.287 11.526 -5.220 1.00 10.00 H new ATOM 0 HD13 LEU A 67 -1.326 10.165 -4.737 1.00 10.00 H new ATOM 0 HD21 LEU A 67 -0.526 8.326 -6.996 1.00 10.00 H new ATOM 0 HD22 LEU A 67 -2.208 8.591 -6.477 1.00 10.00 H new ATOM 0 HD23 LEU A 67 -1.755 8.829 -8.181 1.00 10.00 H new ATOM 1090 N LEU A 68 -1.458 13.551 -4.521 1.00 10.00 N ATOM 1091 CA LEU A 68 -1.681 14.099 -3.183 1.00 10.00 C ATOM 1092 C LEU A 68 -2.437 15.427 -3.274 1.00 10.00 C ATOM 1093 O LEU A 68 -3.478 15.598 -2.636 1.00 10.00 O ATOM 1094 CB LEU A 68 -0.362 14.265 -2.407 1.00 10.00 C ATOM 1095 CG LEU A 68 0.121 12.953 -1.766 1.00 10.00 C ATOM 1096 CD1 LEU A 68 1.554 13.102 -1.249 1.00 10.00 C ATOM 1097 CD2 LEU A 68 -0.733 12.563 -0.552 1.00 10.00 C ATOM 0 H LEU A 68 -0.479 13.487 -4.801 1.00 10.00 H new ATOM 0 HA LEU A 68 -2.291 13.388 -2.627 1.00 10.00 H new ATOM 0 HB2 LEU A 68 0.407 14.639 -3.083 1.00 10.00 H new ATOM 0 HB3 LEU A 68 -0.495 15.017 -1.629 1.00 10.00 H new ATOM 0 HG LEU A 68 0.049 12.193 -2.544 1.00 10.00 H new ATOM 0 HD11 LEU A 68 1.878 12.164 -0.799 1.00 10.00 H new ATOM 0 HD12 LEU A 68 2.215 13.354 -2.078 1.00 10.00 H new ATOM 0 HD13 LEU A 68 1.591 13.894 -0.501 1.00 10.00 H new ATOM 0 HD21 LEU A 68 -0.359 11.631 -0.128 1.00 10.00 H new ATOM 0 HD22 LEU A 68 -0.678 13.351 0.199 1.00 10.00 H new ATOM 0 HD23 LEU A 68 -1.769 12.430 -0.864 1.00 10.00 H new ATOM 1109 N ALA A 69 -1.933 16.371 -4.074 1.00 10.00 N ATOM 1110 CA ALA A 69 -2.611 17.647 -4.264 1.00 10.00 C ATOM 1111 C ALA A 69 -4.043 17.422 -4.759 1.00 10.00 C ATOM 1112 O ALA A 69 -4.984 17.992 -4.214 1.00 10.00 O ATOM 1113 CB ALA A 69 -1.801 18.527 -5.220 1.00 10.00 C ATOM 0 H ALA A 69 -1.062 16.272 -4.596 1.00 10.00 H new ATOM 0 HA ALA A 69 -2.680 18.170 -3.310 1.00 10.00 H new ATOM 0 HB1 ALA A 69 -2.312 19.480 -5.359 1.00 10.00 H new ATOM 0 HB2 ALA A 69 -0.811 18.704 -4.801 1.00 10.00 H new ATOM 0 HB3 ALA A 69 -1.703 18.024 -6.182 1.00 10.00 H new ATOM 1119 N GLU A 70 -4.222 16.561 -5.764 1.00 10.00 N ATOM 1120 CA GLU A 70 -5.529 16.212 -6.298 1.00 10.00 C ATOM 1121 C GLU A 70 -6.434 15.651 -5.198 1.00 10.00 C ATOM 1122 O GLU A 70 -7.597 16.028 -5.116 1.00 10.00 O ATOM 1123 CB GLU A 70 -5.373 15.225 -7.462 1.00 10.00 C ATOM 1124 CG GLU A 70 -6.690 15.032 -8.224 1.00 10.00 C ATOM 1125 CD GLU A 70 -6.528 14.032 -9.365 1.00 10.00 C ATOM 1126 OE1 GLU A 70 -5.896 14.414 -10.375 1.00 10.00 O ATOM 1127 OE2 GLU A 70 -7.027 12.898 -9.201 1.00 10.00 O ATOM 0 H GLU A 70 -3.451 16.084 -6.231 1.00 10.00 H new ATOM 0 HA GLU A 70 -6.008 17.113 -6.681 1.00 10.00 H new ATOM 0 HB2 GLU A 70 -4.607 15.588 -8.147 1.00 10.00 H new ATOM 0 HB3 GLU A 70 -5.030 14.264 -7.080 1.00 10.00 H new ATOM 0 HG2 GLU A 70 -7.462 14.683 -7.538 1.00 10.00 H new ATOM 0 HG3 GLU A 70 -7.026 15.990 -8.622 1.00 10.00 H new ATOM 1134 N LYS A 71 -5.924 14.750 -4.355 1.00 10.00 N ATOM 1135 CA LYS A 71 -6.678 14.196 -3.239 1.00 10.00 C ATOM 1136 C LYS A 71 -7.174 15.320 -2.325 1.00 10.00 C ATOM 1137 O LYS A 71 -8.371 15.400 -2.055 1.00 10.00 O ATOM 1138 CB LYS A 71 -5.816 13.148 -2.526 1.00 10.00 C ATOM 1139 CG LYS A 71 -6.411 12.526 -1.259 1.00 10.00 C ATOM 1140 CD LYS A 71 -7.793 11.910 -1.489 1.00 10.00 C ATOM 1141 CE LYS A 71 -8.107 10.903 -0.378 1.00 10.00 C ATOM 1142 NZ LYS A 71 -9.546 10.602 -0.299 1.00 10.00 N ATOM 0 H LYS A 71 -4.974 14.386 -4.431 1.00 10.00 H new ATOM 0 HA LYS A 71 -7.575 13.685 -3.590 1.00 10.00 H new ATOM 0 HB2 LYS A 71 -5.600 12.346 -3.232 1.00 10.00 H new ATOM 0 HB3 LYS A 71 -4.863 13.609 -2.266 1.00 10.00 H new ATOM 0 HG2 LYS A 71 -5.734 11.758 -0.885 1.00 10.00 H new ATOM 0 HG3 LYS A 71 -6.484 13.290 -0.485 1.00 10.00 H new ATOM 0 HD2 LYS A 71 -8.551 12.693 -1.507 1.00 10.00 H new ATOM 0 HD3 LYS A 71 -7.823 11.415 -2.460 1.00 10.00 H new ATOM 0 HE2 LYS A 71 -7.553 9.981 -0.556 1.00 10.00 H new ATOM 0 HE3 LYS A 71 -7.766 11.300 0.578 1.00 10.00 H new ATOM 0 HZ1 LYS A 71 -9.753 10.129 0.604 1.00 10.00 H new ATOM 0 HZ2 LYS A 71 -10.090 11.487 -0.359 1.00 10.00 H new ATOM 0 HZ3 LYS A 71 -9.814 9.977 -1.086 1.00 10.00 H new ATOM 1156 N ILE A 72 -6.279 16.206 -1.876 1.00 10.00 N ATOM 1157 CA ILE A 72 -6.668 17.377 -1.087 1.00 10.00 C ATOM 1158 C ILE A 72 -7.792 18.143 -1.797 1.00 10.00 C ATOM 1159 O ILE A 72 -8.841 18.427 -1.215 1.00 10.00 O ATOM 1160 CB ILE A 72 -5.452 18.297 -0.868 1.00 10.00 C ATOM 1161 CG1 ILE A 72 -4.382 17.628 0.006 1.00 10.00 C ATOM 1162 CG2 ILE A 72 -5.880 19.640 -0.266 1.00 10.00 C ATOM 1163 CD1 ILE A 72 -3.087 18.444 0.019 1.00 10.00 C ATOM 0 H ILE A 72 -5.276 16.133 -2.047 1.00 10.00 H new ATOM 0 HA ILE A 72 -7.032 17.041 -0.116 1.00 10.00 H new ATOM 0 HB ILE A 72 -5.009 18.484 -1.846 1.00 10.00 H new ATOM 0 HG12 ILE A 72 -4.756 17.519 1.024 1.00 10.00 H new ATOM 0 HG13 ILE A 72 -4.179 16.625 -0.368 1.00 10.00 H new ATOM 0 HG21 ILE A 72 -5.002 20.270 -0.122 1.00 10.00 H new ATOM 0 HG22 ILE A 72 -6.576 20.136 -0.942 1.00 10.00 H new ATOM 0 HG23 ILE A 72 -6.366 19.470 0.695 1.00 10.00 H new ATOM 0 HD11 ILE A 72 -2.349 17.945 0.646 1.00 10.00 H new ATOM 0 HD12 ILE A 72 -2.701 18.530 -0.997 1.00 10.00 H new ATOM 0 HD13 ILE A 72 -3.288 19.439 0.417 1.00 10.00 H new ATOM 1175 N TYR A 73 -7.530 18.505 -3.053 1.00 10.00 N ATOM 1176 CA TYR A 73 -8.415 19.280 -3.907 1.00 10.00 C ATOM 1177 C TYR A 73 -9.812 18.645 -3.894 1.00 10.00 C ATOM 1178 O TYR A 73 -10.802 19.299 -3.565 1.00 10.00 O ATOM 1179 CB TYR A 73 -7.763 19.343 -5.299 1.00 10.00 C ATOM 1180 CG TYR A 73 -8.139 20.460 -6.250 1.00 10.00 C ATOM 1181 CD1 TYR A 73 -9.475 20.869 -6.392 1.00 10.00 C ATOM 1182 CD2 TYR A 73 -7.176 20.915 -7.174 1.00 10.00 C ATOM 1183 CE1 TYR A 73 -9.870 21.605 -7.518 1.00 10.00 C ATOM 1184 CE2 TYR A 73 -7.579 21.608 -8.325 1.00 10.00 C ATOM 1185 CZ TYR A 73 -8.939 21.896 -8.527 1.00 10.00 C ATOM 1186 OH TYR A 73 -9.353 22.505 -9.673 1.00 10.00 O ATOM 0 H TYR A 73 -6.658 18.253 -3.518 1.00 10.00 H new ATOM 0 HA TYR A 73 -8.553 20.303 -3.558 1.00 10.00 H new ATOM 0 HB2 TYR A 73 -6.684 19.389 -5.152 1.00 10.00 H new ATOM 0 HB3 TYR A 73 -7.976 18.400 -5.802 1.00 10.00 H new ATOM 0 HD1 TYR A 73 -10.200 20.616 -5.632 1.00 10.00 H new ATOM 0 HD2 TYR A 73 -6.127 20.730 -6.995 1.00 10.00 H new ATOM 0 HE1 TYR A 73 -10.890 21.948 -7.609 1.00 10.00 H new ATOM 0 HE2 TYR A 73 -6.846 21.919 -9.054 1.00 10.00 H new ATOM 0 HH TYR A 73 -8.586 22.637 -10.269 1.00 10.00 H new ATOM 1196 N LYS A 74 -9.876 17.352 -4.217 1.00 10.00 N ATOM 1197 CA LYS A 74 -11.103 16.575 -4.230 1.00 10.00 C ATOM 1198 C LYS A 74 -11.777 16.606 -2.863 1.00 10.00 C ATOM 1199 O LYS A 74 -12.955 16.933 -2.809 1.00 10.00 O ATOM 1200 CB LYS A 74 -10.825 15.125 -4.652 1.00 10.00 C ATOM 1201 CG LYS A 74 -10.350 15.004 -6.109 1.00 10.00 C ATOM 1202 CD LYS A 74 -11.445 14.510 -7.065 1.00 10.00 C ATOM 1203 CE LYS A 74 -12.565 15.540 -7.246 1.00 10.00 C ATOM 1204 NZ LYS A 74 -13.578 15.069 -8.206 1.00 10.00 N ATOM 0 H LYS A 74 -9.054 16.810 -4.482 1.00 10.00 H new ATOM 0 HA LYS A 74 -11.777 17.024 -4.959 1.00 10.00 H new ATOM 0 HB2 LYS A 74 -10.069 14.699 -3.993 1.00 10.00 H new ATOM 0 HB3 LYS A 74 -11.732 14.534 -4.521 1.00 10.00 H new ATOM 0 HG2 LYS A 74 -9.992 15.976 -6.449 1.00 10.00 H new ATOM 0 HG3 LYS A 74 -9.503 14.319 -6.152 1.00 10.00 H new ATOM 0 HD2 LYS A 74 -11.002 14.283 -8.035 1.00 10.00 H new ATOM 0 HD3 LYS A 74 -11.867 13.581 -6.682 1.00 10.00 H new ATOM 0 HE2 LYS A 74 -13.038 15.739 -6.284 1.00 10.00 H new ATOM 0 HE3 LYS A 74 -12.142 16.482 -7.594 1.00 10.00 H new ATOM 0 HZ1 LYS A 74 -14.322 15.788 -8.306 1.00 10.00 H new ATOM 0 HZ2 LYS A 74 -13.130 14.903 -9.130 1.00 10.00 H new ATOM 0 HZ3 LYS A 74 -13.998 14.182 -7.861 1.00 10.00 H new ATOM 1218 N ILE A 75 -11.076 16.273 -1.772 1.00 10.00 N ATOM 1219 CA ILE A 75 -11.650 16.349 -0.428 1.00 10.00 C ATOM 1220 C ILE A 75 -12.337 17.696 -0.254 1.00 10.00 C ATOM 1221 O ILE A 75 -13.544 17.729 -0.033 1.00 10.00 O ATOM 1222 CB ILE A 75 -10.587 16.092 0.659 1.00 10.00 C ATOM 1223 CG1 ILE A 75 -10.126 14.626 0.573 1.00 10.00 C ATOM 1224 CG2 ILE A 75 -11.181 16.360 2.053 1.00 10.00 C ATOM 1225 CD1 ILE A 75 -8.873 14.351 1.411 1.00 10.00 C ATOM 0 H ILE A 75 -10.109 15.948 -1.797 1.00 10.00 H new ATOM 0 HA ILE A 75 -12.395 15.562 -0.311 1.00 10.00 H new ATOM 0 HB ILE A 75 -9.740 16.760 0.501 1.00 10.00 H new ATOM 0 HG12 ILE A 75 -10.933 13.975 0.909 1.00 10.00 H new ATOM 0 HG13 ILE A 75 -9.925 14.373 -0.468 1.00 10.00 H new ATOM 0 HG21 ILE A 75 -10.422 16.176 2.813 1.00 10.00 H new ATOM 0 HG22 ILE A 75 -11.512 17.397 2.114 1.00 10.00 H new ATOM 0 HG23 ILE A 75 -12.030 15.698 2.220 1.00 10.00 H new ATOM 0 HD11 ILE A 75 -8.593 13.302 1.313 1.00 10.00 H new ATOM 0 HD12 ILE A 75 -8.055 14.979 1.059 1.00 10.00 H new ATOM 0 HD13 ILE A 75 -9.079 14.575 2.458 1.00 10.00 H new ATOM 1237 N GLN A 76 -11.596 18.799 -0.384 1.00 10.00 N ATOM 1238 CA GLN A 76 -12.183 20.115 -0.197 1.00 10.00 C ATOM 1239 C GLN A 76 -13.437 20.290 -1.063 1.00 10.00 C ATOM 1240 O GLN A 76 -14.506 20.596 -0.536 1.00 10.00 O ATOM 1241 CB GLN A 76 -11.144 21.211 -0.470 1.00 10.00 C ATOM 1242 CG GLN A 76 -10.173 21.429 0.707 1.00 10.00 C ATOM 1243 CD GLN A 76 -10.884 21.928 1.967 1.00 10.00 C ATOM 1244 OE1 GLN A 76 -12.022 22.392 1.904 1.00 10.00 O ATOM 1245 NE2 GLN A 76 -10.235 21.848 3.123 1.00 10.00 N ATOM 0 H GLN A 76 -10.602 18.802 -0.615 1.00 10.00 H new ATOM 0 HA GLN A 76 -12.497 20.207 0.843 1.00 10.00 H new ATOM 0 HB2 GLN A 76 -10.573 20.949 -1.361 1.00 10.00 H new ATOM 0 HB3 GLN A 76 -11.660 22.147 -0.686 1.00 10.00 H new ATOM 0 HG2 GLN A 76 -9.660 20.493 0.929 1.00 10.00 H new ATOM 0 HG3 GLN A 76 -9.409 22.149 0.415 1.00 10.00 H new ATOM 0 HE21 GLN A 76 -9.292 21.460 3.153 1.00 10.00 H new ATOM 0 HE22 GLN A 76 -10.679 22.175 3.981 1.00 10.00 H new ATOM 1254 N LYS A 77 -13.313 20.079 -2.375 1.00 10.00 N ATOM 1255 CA LYS A 77 -14.407 20.261 -3.322 1.00 10.00 C ATOM 1256 C LYS A 77 -15.621 19.393 -2.994 1.00 10.00 C ATOM 1257 O LYS A 77 -16.708 19.910 -2.745 1.00 10.00 O ATOM 1258 CB LYS A 77 -13.897 19.995 -4.743 1.00 10.00 C ATOM 1259 CG LYS A 77 -13.003 21.120 -5.275 1.00 10.00 C ATOM 1260 CD LYS A 77 -13.697 22.490 -5.317 1.00 10.00 C ATOM 1261 CE LYS A 77 -13.181 23.395 -4.188 1.00 10.00 C ATOM 1262 NZ LYS A 77 -13.971 24.631 -4.082 1.00 10.00 N ATOM 0 H LYS A 77 -12.442 19.775 -2.810 1.00 10.00 H new ATOM 0 HA LYS A 77 -14.750 21.293 -3.247 1.00 10.00 H new ATOM 0 HB2 LYS A 77 -13.340 19.058 -4.754 1.00 10.00 H new ATOM 0 HB3 LYS A 77 -14.748 19.867 -5.411 1.00 10.00 H new ATOM 0 HG2 LYS A 77 -12.113 21.192 -4.650 1.00 10.00 H new ATOM 0 HG3 LYS A 77 -12.667 20.861 -6.279 1.00 10.00 H new ATOM 0 HD2 LYS A 77 -13.517 22.965 -6.281 1.00 10.00 H new ATOM 0 HD3 LYS A 77 -14.775 22.360 -5.222 1.00 10.00 H new ATOM 0 HE2 LYS A 77 -13.220 22.855 -3.242 1.00 10.00 H new ATOM 0 HE3 LYS A 77 -12.136 23.645 -4.370 1.00 10.00 H new ATOM 0 HZ1 LYS A 77 -13.390 25.441 -4.379 1.00 10.00 H new ATOM 0 HZ2 LYS A 77 -14.808 24.562 -4.696 1.00 10.00 H new ATOM 0 HZ3 LYS A 77 -14.275 24.765 -3.096 1.00 10.00 H new ATOM 1276 N GLU A 78 -15.436 18.076 -3.012 1.00 10.00 N ATOM 1277 CA GLU A 78 -16.467 17.089 -2.738 1.00 10.00 C ATOM 1278 C GLU A 78 -17.156 17.416 -1.414 1.00 10.00 C ATOM 1279 O GLU A 78 -18.376 17.558 -1.349 1.00 10.00 O ATOM 1280 CB GLU A 78 -15.837 15.688 -2.693 1.00 10.00 C ATOM 1281 CG GLU A 78 -15.271 15.233 -4.046 1.00 10.00 C ATOM 1282 CD GLU A 78 -16.358 15.004 -5.090 1.00 10.00 C ATOM 1283 OE1 GLU A 78 -17.177 14.088 -4.861 1.00 10.00 O ATOM 1284 OE2 GLU A 78 -16.350 15.745 -6.097 1.00 10.00 O ATOM 0 H GLU A 78 -14.531 17.656 -3.226 1.00 10.00 H new ATOM 0 HA GLU A 78 -17.216 17.110 -3.530 1.00 10.00 H new ATOM 0 HB2 GLU A 78 -15.038 15.680 -1.952 1.00 10.00 H new ATOM 0 HB3 GLU A 78 -16.587 14.970 -2.361 1.00 10.00 H new ATOM 0 HG2 GLU A 78 -14.572 15.984 -4.414 1.00 10.00 H new ATOM 0 HG3 GLU A 78 -14.706 14.311 -3.908 1.00 10.00 H new ATOM 1490 N GLU B 89 -11.448 29.771 -8.207 1.00 10.00 N ATOM 1491 CA GLU B 89 -10.171 29.602 -8.900 1.00 10.00 C ATOM 1492 C GLU B 89 -8.956 29.824 -7.996 1.00 10.00 C ATOM 1493 O GLU B 89 -8.075 28.972 -7.894 1.00 10.00 O ATOM 1494 CB GLU B 89 -10.141 30.541 -10.111 1.00 10.00 C ATOM 1495 CG GLU B 89 -8.964 30.234 -11.048 1.00 10.00 C ATOM 1496 CD GLU B 89 -8.941 31.173 -12.251 1.00 10.00 C ATOM 1497 OE1 GLU B 89 -9.986 31.248 -12.933 1.00 10.00 O ATOM 1498 OE2 GLU B 89 -7.882 31.802 -12.461 1.00 10.00 O ATOM 0 HA GLU B 89 -10.100 28.564 -9.226 1.00 10.00 H new ATOM 0 HB2 GLU B 89 -11.077 30.451 -10.663 1.00 10.00 H new ATOM 0 HB3 GLU B 89 -10.071 31.573 -9.768 1.00 10.00 H new ATOM 0 HG2 GLU B 89 -8.027 30.324 -10.498 1.00 10.00 H new ATOM 0 HG3 GLU B 89 -9.033 29.202 -11.393 1.00 10.00 H new ATOM 1505 N LYS B 90 -8.908 30.983 -7.340 1.00 10.00 N ATOM 1506 CA LYS B 90 -7.799 31.323 -6.464 1.00 10.00 C ATOM 1507 C LYS B 90 -7.701 30.324 -5.309 1.00 10.00 C ATOM 1508 O LYS B 90 -6.603 29.918 -4.940 1.00 10.00 O ATOM 1509 CB LYS B 90 -7.928 32.773 -5.975 1.00 10.00 C ATOM 1510 CG LYS B 90 -6.649 33.228 -5.257 1.00 10.00 C ATOM 1511 CD LYS B 90 -6.765 34.694 -4.819 1.00 10.00 C ATOM 1512 CE LYS B 90 -5.441 35.228 -4.258 1.00 10.00 C ATOM 1513 NZ LYS B 90 -4.971 34.455 -3.094 1.00 10.00 N ATOM 0 H LYS B 90 -9.629 31.701 -7.402 1.00 10.00 H new ATOM 0 HA LYS B 90 -6.867 31.255 -7.024 1.00 10.00 H new ATOM 0 HB2 LYS B 90 -8.127 33.430 -6.822 1.00 10.00 H new ATOM 0 HB3 LYS B 90 -8.779 32.858 -5.299 1.00 10.00 H new ATOM 0 HG2 LYS B 90 -6.470 32.596 -4.387 1.00 10.00 H new ATOM 0 HG3 LYS B 90 -5.792 33.108 -5.919 1.00 10.00 H new ATOM 0 HD2 LYS B 90 -7.072 35.304 -5.669 1.00 10.00 H new ATOM 0 HD3 LYS B 90 -7.544 34.787 -4.062 1.00 10.00 H new ATOM 0 HE2 LYS B 90 -4.681 35.201 -5.039 1.00 10.00 H new ATOM 0 HE3 LYS B 90 -5.566 36.272 -3.971 1.00 10.00 H new ATOM 0 HZ1 LYS B 90 -4.592 35.105 -2.376 1.00 10.00 H new ATOM 0 HZ2 LYS B 90 -5.765 33.918 -2.690 1.00 10.00 H new ATOM 0 HZ3 LYS B 90 -4.224 33.796 -3.394 1.00 10.00 H new ATOM 1527 N ARG B 91 -8.840 29.905 -4.751 1.00 10.00 N ATOM 1528 CA ARG B 91 -8.863 28.918 -3.676 1.00 10.00 C ATOM 1529 C ARG B 91 -8.275 27.609 -4.189 1.00 10.00 C ATOM 1530 O ARG B 91 -7.389 27.045 -3.554 1.00 10.00 O ATOM 1531 CB ARG B 91 -10.282 28.763 -3.102 1.00 10.00 C ATOM 1532 CG ARG B 91 -10.432 27.613 -2.090 1.00 10.00 C ATOM 1533 CD ARG B 91 -10.988 26.316 -2.711 1.00 10.00 C ATOM 1534 NE ARG B 91 -11.440 25.386 -1.660 1.00 10.00 N ATOM 1535 CZ ARG B 91 -12.625 25.460 -1.030 1.00 10.00 C ATOM 1536 NH1 ARG B 91 -13.492 26.431 -1.336 1.00 10.00 N ATOM 1537 NH2 ARG B 91 -12.962 24.571 -0.088 1.00 10.00 N ATOM 0 H ARG B 91 -9.762 30.239 -5.031 1.00 10.00 H new ATOM 0 HA ARG B 91 -8.244 29.255 -2.844 1.00 10.00 H new ATOM 0 HB2 ARG B 91 -10.570 29.697 -2.619 1.00 10.00 H new ATOM 0 HB3 ARG B 91 -10.979 28.601 -3.925 1.00 10.00 H new ATOM 0 HG2 ARG B 91 -9.460 27.405 -1.642 1.00 10.00 H new ATOM 0 HG3 ARG B 91 -11.092 27.933 -1.284 1.00 10.00 H new ATOM 0 HD2 ARG B 91 -11.819 26.553 -3.376 1.00 10.00 H new ATOM 0 HD3 ARG B 91 -10.219 25.839 -3.319 1.00 10.00 H new ATOM 0 HE ARG B 91 -10.808 24.632 -1.392 1.00 10.00 H new ATOM 0 HH11 ARG B 91 -13.255 27.120 -2.050 1.00 10.00 H new ATOM 0 HH12 ARG B 91 -14.390 26.483 -0.855 1.00 10.00 H new ATOM 0 HH21 ARG B 91 -12.315 23.823 0.162 1.00 10.00 H new ATOM 0 HH22 ARG B 91 -13.865 24.642 0.380 1.00 10.00 H new ATOM 1551 N ILE B 92 -8.737 27.152 -5.355 1.00 10.00 N ATOM 1552 CA ILE B 92 -8.190 25.983 -6.027 1.00 10.00 C ATOM 1553 C ILE B 92 -6.667 26.106 -6.136 1.00 10.00 C ATOM 1554 O ILE B 92 -5.939 25.196 -5.738 1.00 10.00 O ATOM 1555 CB ILE B 92 -8.884 25.786 -7.396 1.00 10.00 C ATOM 1556 CG1 ILE B 92 -10.136 24.905 -7.250 1.00 10.00 C ATOM 1557 CG2 ILE B 92 -7.953 25.163 -8.447 1.00 10.00 C ATOM 1558 CD1 ILE B 92 -11.323 25.653 -6.652 1.00 10.00 C ATOM 0 H ILE B 92 -9.508 27.590 -5.859 1.00 10.00 H new ATOM 0 HA ILE B 92 -8.391 25.086 -5.441 1.00 10.00 H new ATOM 0 HB ILE B 92 -9.165 26.781 -7.741 1.00 10.00 H new ATOM 0 HG12 ILE B 92 -10.415 24.514 -8.229 1.00 10.00 H new ATOM 0 HG13 ILE B 92 -9.899 24.047 -6.620 1.00 10.00 H new ATOM 0 HG21 ILE B 92 -8.492 25.048 -9.388 1.00 10.00 H new ATOM 0 HG22 ILE B 92 -7.091 25.812 -8.600 1.00 10.00 H new ATOM 0 HG23 ILE B 92 -7.615 24.186 -8.100 1.00 10.00 H new ATOM 0 HD11 ILE B 92 -12.176 24.979 -6.574 1.00 10.00 H new ATOM 0 HD12 ILE B 92 -11.059 26.021 -5.660 1.00 10.00 H new ATOM 0 HD13 ILE B 92 -11.583 26.495 -7.294 1.00 10.00 H new ATOM 1570 N LYS B 93 -6.180 27.221 -6.683 1.00 10.00 N ATOM 1571 CA LYS B 93 -4.757 27.374 -6.927 1.00 10.00 C ATOM 1572 C LYS B 93 -3.976 27.381 -5.617 1.00 10.00 C ATOM 1573 O LYS B 93 -3.039 26.604 -5.475 1.00 10.00 O ATOM 1574 CB LYS B 93 -4.476 28.608 -7.793 1.00 10.00 C ATOM 1575 CG LYS B 93 -5.003 28.430 -9.226 1.00 10.00 C ATOM 1576 CD LYS B 93 -3.978 27.836 -10.210 1.00 10.00 C ATOM 1577 CE LYS B 93 -3.506 26.419 -9.853 1.00 10.00 C ATOM 1578 NZ LYS B 93 -2.705 25.823 -10.936 1.00 10.00 N ATOM 0 H LYS B 93 -6.749 28.021 -6.961 1.00 10.00 H new ATOM 0 HA LYS B 93 -4.408 26.511 -7.494 1.00 10.00 H new ATOM 0 HB2 LYS B 93 -4.941 29.484 -7.340 1.00 10.00 H new ATOM 0 HB3 LYS B 93 -3.403 28.796 -7.821 1.00 10.00 H new ATOM 0 HG2 LYS B 93 -5.881 27.784 -9.200 1.00 10.00 H new ATOM 0 HG3 LYS B 93 -5.331 29.399 -9.603 1.00 10.00 H new ATOM 0 HD2 LYS B 93 -4.417 27.819 -11.208 1.00 10.00 H new ATOM 0 HD3 LYS B 93 -3.111 28.495 -10.254 1.00 10.00 H new ATOM 0 HE2 LYS B 93 -2.914 26.452 -8.938 1.00 10.00 H new ATOM 0 HE3 LYS B 93 -4.371 25.788 -9.650 1.00 10.00 H new ATOM 0 HZ1 LYS B 93 -2.390 24.873 -10.652 1.00 10.00 H new ATOM 0 HZ2 LYS B 93 -3.283 25.753 -11.797 1.00 10.00 H new ATOM 0 HZ3 LYS B 93 -1.875 26.421 -11.124 1.00 10.00 H new ATOM 1592 N GLU B 94 -4.367 28.212 -4.649 1.00 10.00 N ATOM 1593 CA GLU B 94 -3.740 28.240 -3.332 1.00 10.00 C ATOM 1594 C GLU B 94 -3.711 26.833 -2.723 1.00 10.00 C ATOM 1595 O GLU B 94 -2.670 26.375 -2.259 1.00 10.00 O ATOM 1596 CB GLU B 94 -4.512 29.207 -2.421 1.00 10.00 C ATOM 1597 CG GLU B 94 -4.380 30.677 -2.857 1.00 10.00 C ATOM 1598 CD GLU B 94 -3.018 31.302 -2.563 1.00 10.00 C ATOM 1599 OE1 GLU B 94 -2.256 30.706 -1.770 1.00 10.00 O ATOM 1600 OE2 GLU B 94 -2.771 32.385 -3.136 1.00 10.00 O ATOM 0 H GLU B 94 -5.127 28.883 -4.759 1.00 10.00 H new ATOM 0 HA GLU B 94 -2.711 28.586 -3.430 1.00 10.00 H new ATOM 0 HB2 GLU B 94 -5.566 28.929 -2.415 1.00 10.00 H new ATOM 0 HB3 GLU B 94 -4.149 29.103 -1.399 1.00 10.00 H new ATOM 0 HG2 GLU B 94 -4.574 30.745 -3.927 1.00 10.00 H new ATOM 0 HG3 GLU B 94 -5.151 31.263 -2.356 1.00 10.00 H new ATOM 1607 N LEU B 95 -4.854 26.145 -2.735 1.00 10.00 N ATOM 1608 CA LEU B 95 -5.005 24.804 -2.188 1.00 10.00 C ATOM 1609 C LEU B 95 -4.021 23.832 -2.846 1.00 10.00 C ATOM 1610 O LEU B 95 -3.302 23.112 -2.155 1.00 10.00 O ATOM 1611 CB LEU B 95 -6.466 24.373 -2.375 1.00 10.00 C ATOM 1612 CG LEU B 95 -6.826 23.005 -1.785 1.00 10.00 C ATOM 1613 CD1 LEU B 95 -6.651 22.976 -0.260 1.00 10.00 C ATOM 1614 CD2 LEU B 95 -8.290 22.727 -2.132 1.00 10.00 C ATOM 0 H LEU B 95 -5.716 26.516 -3.135 1.00 10.00 H new ATOM 0 HA LEU B 95 -4.769 24.798 -1.124 1.00 10.00 H new ATOM 0 HB2 LEU B 95 -7.111 25.126 -1.922 1.00 10.00 H new ATOM 0 HB3 LEU B 95 -6.690 24.361 -3.442 1.00 10.00 H new ATOM 0 HG LEU B 95 -6.161 22.249 -2.202 1.00 10.00 H new ATOM 0 HD11 LEU B 95 -6.917 21.989 0.118 1.00 10.00 H new ATOM 0 HD12 LEU B 95 -5.613 23.194 -0.009 1.00 10.00 H new ATOM 0 HD13 LEU B 95 -7.299 23.725 0.195 1.00 10.00 H new ATOM 0 HD21 LEU B 95 -8.582 21.758 -1.727 1.00 10.00 H new ATOM 0 HD22 LEU B 95 -8.920 23.505 -1.702 1.00 10.00 H new ATOM 0 HD23 LEU B 95 -8.412 22.719 -3.215 1.00 10.00 H new ATOM 1626 N GLU B 96 -3.976 23.816 -4.181 1.00 10.00 N ATOM 1627 CA GLU B 96 -3.044 22.981 -4.929 1.00 10.00 C ATOM 1628 C GLU B 96 -1.594 23.331 -4.550 1.00 10.00 C ATOM 1629 O GLU B 96 -0.797 22.467 -4.174 1.00 10.00 O ATOM 1630 CB GLU B 96 -3.338 23.168 -6.426 1.00 10.00 C ATOM 1631 CG GLU B 96 -2.433 22.322 -7.327 1.00 10.00 C ATOM 1632 CD GLU B 96 -2.846 22.459 -8.788 1.00 10.00 C ATOM 1633 OE1 GLU B 96 -3.755 21.703 -9.193 1.00 10.00 O ATOM 1634 OE2 GLU B 96 -2.262 23.332 -9.468 1.00 10.00 O ATOM 0 H GLU B 96 -4.586 24.383 -4.770 1.00 10.00 H new ATOM 0 HA GLU B 96 -3.172 21.927 -4.684 1.00 10.00 H new ATOM 0 HB2 GLU B 96 -4.379 22.909 -6.621 1.00 10.00 H new ATOM 0 HB3 GLU B 96 -3.217 24.220 -6.685 1.00 10.00 H new ATOM 0 HG2 GLU B 96 -1.396 22.636 -7.206 1.00 10.00 H new ATOM 0 HG3 GLU B 96 -2.487 21.276 -7.025 1.00 10.00 H new ATOM 1641 N LEU B 97 -1.260 24.619 -4.653 1.00 10.00 N ATOM 1642 CA LEU B 97 0.071 25.158 -4.418 1.00 10.00 C ATOM 1643 C LEU B 97 0.571 24.845 -3.008 1.00 10.00 C ATOM 1644 O LEU B 97 1.746 24.524 -2.844 1.00 10.00 O ATOM 1645 CB LEU B 97 0.075 26.673 -4.678 1.00 10.00 C ATOM 1646 CG LEU B 97 -0.005 27.038 -6.173 1.00 10.00 C ATOM 1647 CD1 LEU B 97 -0.283 28.540 -6.310 1.00 10.00 C ATOM 1648 CD2 LEU B 97 1.293 26.703 -6.920 1.00 10.00 C ATOM 0 H LEU B 97 -1.937 25.337 -4.912 1.00 10.00 H new ATOM 0 HA LEU B 97 0.758 24.676 -5.113 1.00 10.00 H new ATOM 0 HB2 LEU B 97 -0.768 27.126 -4.156 1.00 10.00 H new ATOM 0 HB3 LEU B 97 0.982 27.104 -4.254 1.00 10.00 H new ATOM 0 HG LEU B 97 -0.809 26.450 -6.615 1.00 10.00 H new ATOM 0 HD11 LEU B 97 -0.341 28.805 -7.366 1.00 10.00 H new ATOM 0 HD12 LEU B 97 -1.228 28.781 -5.823 1.00 10.00 H new ATOM 0 HD13 LEU B 97 0.522 29.104 -5.838 1.00 10.00 H new ATOM 0 HD21 LEU B 97 1.190 26.977 -7.970 1.00 10.00 H new ATOM 0 HD22 LEU B 97 2.120 27.259 -6.479 1.00 10.00 H new ATOM 0 HD23 LEU B 97 1.492 25.634 -6.842 1.00 10.00 H new ATOM 1660 N LEU B 98 -0.292 24.940 -1.993 1.00 10.00 N ATOM 1661 CA LEU B 98 0.057 24.683 -0.600 1.00 10.00 C ATOM 1662 C LEU B 98 0.833 23.371 -0.462 1.00 10.00 C ATOM 1663 O LEU B 98 1.891 23.334 0.165 1.00 10.00 O ATOM 1664 CB LEU B 98 -1.222 24.670 0.253 1.00 10.00 C ATOM 1665 CG LEU B 98 -0.998 24.300 1.730 1.00 10.00 C ATOM 1666 CD1 LEU B 98 -0.061 25.288 2.435 1.00 10.00 C ATOM 1667 CD2 LEU B 98 -2.351 24.276 2.450 1.00 10.00 C ATOM 0 H LEU B 98 -1.269 25.203 -2.122 1.00 10.00 H new ATOM 0 HA LEU B 98 0.709 25.480 -0.242 1.00 10.00 H new ATOM 0 HB2 LEU B 98 -1.687 25.655 0.204 1.00 10.00 H new ATOM 0 HB3 LEU B 98 -1.928 23.963 -0.183 1.00 10.00 H new ATOM 0 HG LEU B 98 -0.527 23.318 1.764 1.00 10.00 H new ATOM 0 HD11 LEU B 98 0.068 24.988 3.475 1.00 10.00 H new ATOM 0 HD12 LEU B 98 0.908 25.291 1.935 1.00 10.00 H new ATOM 0 HD13 LEU B 98 -0.492 26.288 2.397 1.00 10.00 H new ATOM 0 HD21 LEU B 98 -2.201 24.015 3.498 1.00 10.00 H new ATOM 0 HD22 LEU B 98 -2.816 25.260 2.384 1.00 10.00 H new ATOM 0 HD23 LEU B 98 -3.000 23.536 1.981 1.00 10.00 H new ATOM 1679 N LEU B 99 0.309 22.294 -1.055 1.00 10.00 N ATOM 1680 CA LEU B 99 0.946 20.988 -0.984 1.00 10.00 C ATOM 1681 C LEU B 99 2.245 21.011 -1.794 1.00 10.00 C ATOM 1682 O LEU B 99 3.304 20.654 -1.280 1.00 10.00 O ATOM 1683 CB LEU B 99 -0.053 19.907 -1.428 1.00 10.00 C ATOM 1684 CG LEU B 99 0.311 18.446 -1.096 1.00 10.00 C ATOM 1685 CD1 LEU B 99 1.491 17.905 -1.903 1.00 10.00 C ATOM 1686 CD2 LEU B 99 0.576 18.225 0.397 1.00 10.00 C ATOM 0 H LEU B 99 -0.559 22.308 -1.591 1.00 10.00 H new ATOM 0 HA LEU B 99 1.228 20.740 0.039 1.00 10.00 H new ATOM 0 HB2 LEU B 99 -1.018 20.129 -0.972 1.00 10.00 H new ATOM 0 HB3 LEU B 99 -0.184 19.988 -2.507 1.00 10.00 H new ATOM 0 HG LEU B 99 -0.577 17.883 -1.385 1.00 10.00 H new ATOM 0 HD11 LEU B 99 1.687 16.873 -1.614 1.00 10.00 H new ATOM 0 HD12 LEU B 99 1.254 17.945 -2.966 1.00 10.00 H new ATOM 0 HD13 LEU B 99 2.375 18.511 -1.706 1.00 10.00 H new ATOM 0 HD21 LEU B 99 0.827 17.179 0.571 1.00 10.00 H new ATOM 0 HD22 LEU B 99 1.406 18.856 0.716 1.00 10.00 H new ATOM 0 HD23 LEU B 99 -0.316 18.483 0.967 1.00 10.00 H new ATOM 1698 N MET B 100 2.195 21.465 -3.049 1.00 10.00 N ATOM 1699 CA MET B 100 3.379 21.522 -3.906 1.00 10.00 C ATOM 1700 C MET B 100 4.547 22.262 -3.232 1.00 10.00 C ATOM 1701 O MET B 100 5.699 21.837 -3.321 1.00 10.00 O ATOM 1702 CB MET B 100 3.007 22.129 -5.264 1.00 10.00 C ATOM 1703 CG MET B 100 2.050 21.204 -6.030 1.00 10.00 C ATOM 1704 SD MET B 100 1.562 21.796 -7.669 1.00 10.00 S ATOM 1705 CE MET B 100 0.586 20.380 -8.225 1.00 10.00 C ATOM 0 H MET B 100 1.341 21.800 -3.495 1.00 10.00 H new ATOM 0 HA MET B 100 3.734 20.505 -4.074 1.00 10.00 H new ATOM 0 HB2 MET B 100 2.539 23.102 -5.117 1.00 10.00 H new ATOM 0 HB3 MET B 100 3.909 22.295 -5.853 1.00 10.00 H new ATOM 0 HG2 MET B 100 2.522 20.228 -6.139 1.00 10.00 H new ATOM 0 HG3 MET B 100 1.151 21.059 -5.430 1.00 10.00 H new ATOM 0 HE1 MET B 100 0.203 20.573 -9.227 1.00 10.00 H new ATOM 0 HE2 MET B 100 1.214 19.489 -8.242 1.00 10.00 H new ATOM 0 HE3 MET B 100 -0.249 20.223 -7.542 1.00 10.00 H new ATOM 1715 N SER B 101 4.242 23.336 -2.501 1.00 10.00 N ATOM 1716 CA SER B 101 5.222 24.156 -1.798 1.00 10.00 C ATOM 1717 C SER B 101 6.000 23.404 -0.710 1.00 10.00 C ATOM 1718 O SER B 101 6.960 23.958 -0.170 1.00 10.00 O ATOM 1719 CB SER B 101 4.530 25.383 -1.195 1.00 10.00 C ATOM 1720 OG SER B 101 3.891 26.134 -2.208 1.00 10.00 O ATOM 0 H SER B 101 3.284 23.665 -2.381 1.00 10.00 H new ATOM 0 HA SER B 101 5.960 24.457 -2.541 1.00 10.00 H new ATOM 0 HB2 SER B 101 3.799 25.067 -0.451 1.00 10.00 H new ATOM 0 HB3 SER B 101 5.262 26.005 -0.679 1.00 10.00 H new ATOM 0 HG SER B 101 3.098 25.652 -2.522 1.00 10.00 H new ATOM 1726 N THR B 102 5.612 22.174 -0.347 1.00 10.00 N ATOM 1727 CA THR B 102 6.311 21.449 0.707 1.00 10.00 C ATOM 1728 C THR B 102 7.800 21.301 0.410 1.00 10.00 C ATOM 1729 O THR B 102 8.589 21.355 1.344 1.00 10.00 O ATOM 1730 CB THR B 102 5.670 20.092 1.002 1.00 10.00 C ATOM 1731 OG1 THR B 102 4.295 20.281 1.214 1.00 10.00 O ATOM 1732 CG2 THR B 102 6.233 19.480 2.289 1.00 10.00 C ATOM 0 H THR B 102 4.829 21.671 -0.764 1.00 10.00 H new ATOM 0 HA THR B 102 6.215 22.054 1.608 1.00 10.00 H new ATOM 0 HB THR B 102 5.874 19.433 0.158 1.00 10.00 H new ATOM 0 HG1 THR B 102 3.841 20.379 0.351 1.00 10.00 H new ATOM 0 HG21 THR B 102 5.758 18.516 2.472 1.00 10.00 H new ATOM 0 HG22 THR B 102 7.309 19.340 2.185 1.00 10.00 H new ATOM 0 HG23 THR B 102 6.033 20.148 3.127 1.00 10.00 H new ATOM 1740 N GLU B 103 8.212 21.147 -0.854 1.00 10.00 N ATOM 1741 CA GLU B 103 9.636 21.136 -1.180 1.00 10.00 C ATOM 1742 C GLU B 103 10.319 22.395 -0.633 1.00 10.00 C ATOM 1743 O GLU B 103 11.311 22.318 0.092 1.00 10.00 O ATOM 1744 CB GLU B 103 9.832 21.053 -2.700 1.00 10.00 C ATOM 1745 CG GLU B 103 9.463 19.693 -3.301 1.00 10.00 C ATOM 1746 CD GLU B 103 10.337 18.562 -2.769 1.00 10.00 C ATOM 1747 OE1 GLU B 103 11.531 18.825 -2.510 1.00 10.00 O ATOM 1748 OE2 GLU B 103 9.802 17.440 -2.631 1.00 10.00 O ATOM 0 H GLU B 103 7.589 21.030 -1.653 1.00 10.00 H new ATOM 0 HA GLU B 103 10.090 20.260 -0.716 1.00 10.00 H new ATOM 0 HB2 GLU B 103 9.229 21.825 -3.177 1.00 10.00 H new ATOM 0 HB3 GLU B 103 10.874 21.272 -2.934 1.00 10.00 H new ATOM 0 HG2 GLU B 103 8.418 19.474 -3.082 1.00 10.00 H new ATOM 0 HG3 GLU B 103 9.558 19.741 -4.386 1.00 10.00 H new ATOM 1755 N ASN B 104 9.776 23.561 -0.989 1.00 10.00 N ATOM 1756 CA ASN B 104 10.297 24.863 -0.590 1.00 10.00 C ATOM 1757 C ASN B 104 10.316 24.965 0.934 1.00 10.00 C ATOM 1758 O ASN B 104 11.330 25.320 1.537 1.00 10.00 O ATOM 1759 CB ASN B 104 9.448 25.989 -1.201 1.00 10.00 C ATOM 1760 CG ASN B 104 9.285 25.823 -2.709 1.00 10.00 C ATOM 1761 OD1 ASN B 104 8.569 24.931 -3.155 1.00 10.00 O ATOM 1762 ND2 ASN B 104 9.950 26.653 -3.507 1.00 10.00 N ATOM 0 H ASN B 104 8.944 23.624 -1.575 1.00 10.00 H new ATOM 0 HA ASN B 104 11.316 24.969 -0.961 1.00 10.00 H new ATOM 0 HB2 ASN B 104 8.466 26.001 -0.729 1.00 10.00 H new ATOM 0 HB3 ASN B 104 9.915 26.951 -0.990 1.00 10.00 H new ATOM 0 HD21 ASN B 104 9.873 26.558 -4.520 1.00 10.00 H new ATOM 0 HD22 ASN B 104 10.537 27.385 -3.107 1.00 10.00 H new