USER MOD reduce.3.24.130724 H: found=0, std=0, add=685, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 681 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 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 75 HIS : no HE2:sc=-0.00745 X(o=-0.0075,f=-0.022) USER MOD Set 2.1: A 60 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 62 LYS NZ :NH3+ 157:sc= 1.25 (180deg=1.09) USER MOD Single : A 1 GLU N :NH3+ -111:sc= 0.0643 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ -173:sc= 1.31 (180deg=1.19) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0.853 K(o=0.85,f=-0.4) USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.0119 USER MOD Single : A 13 HIS : no HE2:sc= 1.1 K(o=1.1,f=-3.4!) USER MOD Single : A 14 MET CE :methyl -162:sc=-0.00797 (180deg=-0.118) USER MOD Single : A 18 ASN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 25 LYS NZ :NH3+ 179:sc= 1.28 (180deg=1.27) USER MOD Single : A 32 CYS SG : rot -51:sc=-0.00236 USER MOD Single : A 33 ASN : amide:sc= 1.25 K(o=1.2,f=-5.1!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.0819 X(o=-0.082,f=-0.082) USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 59 CYS SG : rot -140:sc= -0.151 USER MOD Single : A 65 SER OG : rot 180:sc= 0.0477 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -0.259 K(o=-0.26,f=-1) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 8.464 12.613 17.088 1.00 0.00 N ATOM 2 CA GLU A 1 8.147 13.129 15.730 1.00 0.00 C ATOM 3 C GLU A 1 9.446 13.338 14.935 1.00 0.00 C ATOM 4 O GLU A 1 10.516 13.531 15.521 1.00 0.00 O ATOM 5 CB GLU A 1 7.318 14.433 15.775 1.00 0.00 C ATOM 6 CG GLU A 1 5.901 14.232 16.338 1.00 0.00 C ATOM 7 CD GLU A 1 5.076 15.533 16.287 1.00 0.00 C ATOM 8 OE1 GLU A 1 5.165 16.349 17.238 1.00 0.00 O ATOM 9 OE2 GLU A 1 4.320 15.741 15.305 1.00 0.00 O ATOM 0 H1 GLU A 1 8.142 11.628 17.169 1.00 0.00 H new ATOM 0 H2 GLU A 1 9.491 12.655 17.244 1.00 0.00 H new ATOM 0 H3 GLU A 1 7.981 13.195 17.802 1.00 0.00 H new ATOM 0 HA GLU A 1 7.531 12.383 15.228 1.00 0.00 H new ATOM 0 HB2 GLU A 1 7.843 15.169 16.384 1.00 0.00 H new ATOM 0 HB3 GLU A 1 7.247 14.845 14.769 1.00 0.00 H new ATOM 0 HG2 GLU A 1 5.390 13.455 15.769 1.00 0.00 H new ATOM 0 HG3 GLU A 1 5.965 13.882 17.368 1.00 0.00 H new ATOM 18 N ASP A 2 9.368 13.297 13.601 1.00 0.00 N ATOM 19 CA ASP A 2 10.490 13.538 12.685 1.00 0.00 C ATOM 20 C ASP A 2 9.947 14.147 11.390 1.00 0.00 C ATOM 21 O ASP A 2 8.740 14.065 11.128 1.00 0.00 O ATOM 22 CB ASP A 2 11.205 12.218 12.363 1.00 0.00 C ATOM 23 CG ASP A 2 12.559 12.403 11.646 1.00 0.00 C ATOM 24 OD1 ASP A 2 13.148 13.512 11.691 1.00 0.00 O ATOM 25 OD2 ASP A 2 13.064 11.412 11.065 1.00 0.00 O ATOM 0 H ASP A 2 8.497 13.089 13.113 1.00 0.00 H new ATOM 0 HA ASP A 2 11.200 14.219 13.155 1.00 0.00 H new ATOM 0 HB2 ASP A 2 11.367 11.668 13.290 1.00 0.00 H new ATOM 0 HB3 ASP A 2 10.554 11.606 11.739 1.00 0.00 H new ATOM 30 N ARG A 3 10.817 14.740 10.573 1.00 0.00 N ATOM 31 CA ARG A 3 10.454 15.222 9.248 1.00 0.00 C ATOM 32 C ARG A 3 10.496 14.037 8.283 1.00 0.00 C ATOM 33 O ARG A 3 11.539 13.388 8.157 1.00 0.00 O ATOM 34 CB ARG A 3 11.398 16.364 8.836 1.00 0.00 C ATOM 35 CG ARG A 3 10.935 17.119 7.580 1.00 0.00 C ATOM 36 CD ARG A 3 9.751 18.060 7.848 1.00 0.00 C ATOM 37 NE ARG A 3 9.554 18.999 6.727 1.00 0.00 N ATOM 38 CZ ARG A 3 8.736 18.853 5.673 1.00 0.00 C ATOM 39 NH1 ARG A 3 7.981 17.771 5.528 1.00 0.00 N ATOM 40 NH2 ARG A 3 8.667 19.807 4.751 1.00 0.00 N ATOM 0 H ARG A 3 11.795 14.898 10.815 1.00 0.00 H new ATOM 0 HA ARG A 3 9.445 15.634 9.236 1.00 0.00 H new ATOM 0 HB2 ARG A 3 11.485 17.069 9.663 1.00 0.00 H new ATOM 0 HB3 ARG A 3 12.393 15.956 8.659 1.00 0.00 H new ATOM 0 HG2 ARG A 3 11.769 17.697 7.182 1.00 0.00 H new ATOM 0 HG3 ARG A 3 10.653 16.398 6.813 1.00 0.00 H new ATOM 0 HD2 ARG A 3 8.844 17.474 7.999 1.00 0.00 H new ATOM 0 HD3 ARG A 3 9.927 18.618 8.767 1.00 0.00 H new ATOM 0 HE ARG A 3 10.103 19.858 6.756 1.00 0.00 H new ATOM 0 HH11 ARG A 3 8.015 17.028 6.226 1.00 0.00 H new ATOM 0 HH12 ARG A 3 7.367 17.682 4.718 1.00 0.00 H new ATOM 0 HH21 ARG A 3 9.235 20.649 4.845 1.00 0.00 H new ATOM 0 HH22 ARG A 3 8.046 19.698 3.949 1.00 0.00 H new ATOM 54 N SER A 4 9.391 13.791 7.579 1.00 0.00 N ATOM 55 CA SER A 4 9.258 12.730 6.584 1.00 0.00 C ATOM 56 C SER A 4 8.468 13.252 5.380 1.00 0.00 C ATOM 57 O SER A 4 7.646 14.167 5.516 1.00 0.00 O ATOM 58 CB SER A 4 8.557 11.509 7.205 1.00 0.00 C ATOM 59 OG SER A 4 9.218 11.071 8.390 1.00 0.00 O ATOM 0 H SER A 4 8.539 14.341 7.690 1.00 0.00 H new ATOM 0 HA SER A 4 10.248 12.422 6.248 1.00 0.00 H new ATOM 0 HB2 SER A 4 7.522 11.762 7.437 1.00 0.00 H new ATOM 0 HB3 SER A 4 8.532 10.696 6.480 1.00 0.00 H new ATOM 0 HG SER A 4 8.747 10.295 8.760 1.00 0.00 H new ATOM 65 N LYS A 5 8.704 12.663 4.203 1.00 0.00 N ATOM 66 CA LYS A 5 7.917 12.865 2.986 1.00 0.00 C ATOM 67 C LYS A 5 8.068 11.638 2.085 1.00 0.00 C ATOM 68 O LYS A 5 9.033 10.879 2.232 1.00 0.00 O ATOM 69 CB LYS A 5 8.332 14.150 2.247 1.00 0.00 C ATOM 70 CG LYS A 5 9.832 14.254 1.917 1.00 0.00 C ATOM 71 CD LYS A 5 10.107 15.581 1.202 1.00 0.00 C ATOM 72 CE LYS A 5 11.564 15.662 0.726 1.00 0.00 C ATOM 73 NZ LYS A 5 11.794 16.869 -0.109 1.00 0.00 N ATOM 0 H LYS A 5 9.476 12.010 4.069 1.00 0.00 H new ATOM 0 HA LYS A 5 6.869 12.987 3.260 1.00 0.00 H new ATOM 0 HB2 LYS A 5 7.765 14.216 1.318 1.00 0.00 H new ATOM 0 HB3 LYS A 5 8.049 15.009 2.855 1.00 0.00 H new ATOM 0 HG2 LYS A 5 10.422 14.193 2.832 1.00 0.00 H new ATOM 0 HG3 LYS A 5 10.135 13.419 1.286 1.00 0.00 H new ATOM 0 HD2 LYS A 5 9.436 15.683 0.349 1.00 0.00 H new ATOM 0 HD3 LYS A 5 9.895 16.411 1.876 1.00 0.00 H new ATOM 0 HE2 LYS A 5 12.230 15.682 1.589 1.00 0.00 H new ATOM 0 HE3 LYS A 5 11.812 14.768 0.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 12.752 16.835 -0.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 11.095 16.897 -0.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 11.696 17.721 0.479 1.00 0.00 H new ATOM 87 N THR A 6 7.141 11.486 1.139 1.00 0.00 N ATOM 88 CA THR A 6 7.122 10.398 0.169 1.00 0.00 C ATOM 89 C THR A 6 6.828 10.985 -1.221 1.00 0.00 C ATOM 90 O THR A 6 6.294 12.088 -1.339 1.00 0.00 O ATOM 91 CB THR A 6 6.197 9.266 0.685 1.00 0.00 C ATOM 92 OG1 THR A 6 6.631 8.841 1.969 1.00 0.00 O ATOM 93 CG2 THR A 6 6.149 8.030 -0.226 1.00 0.00 C ATOM 0 H THR A 6 6.363 12.135 1.026 1.00 0.00 H new ATOM 0 HA THR A 6 8.086 9.903 0.052 1.00 0.00 H new ATOM 0 HB THR A 6 5.196 9.696 0.710 1.00 0.00 H new ATOM 0 HG1 THR A 6 6.043 8.127 2.293 1.00 0.00 H new ATOM 0 HG21 THR A 6 5.480 7.285 0.206 1.00 0.00 H new ATOM 0 HG22 THR A 6 5.783 8.318 -1.211 1.00 0.00 H new ATOM 0 HG23 THR A 6 7.150 7.608 -0.320 1.00 0.00 H new ATOM 101 N THR A 7 7.204 10.272 -2.277 1.00 0.00 N ATOM 102 CA THR A 7 7.008 10.642 -3.676 1.00 0.00 C ATOM 103 C THR A 7 6.358 9.466 -4.427 1.00 0.00 C ATOM 104 O THR A 7 6.432 8.315 -3.985 1.00 0.00 O ATOM 105 CB THR A 7 8.364 11.066 -4.294 1.00 0.00 C ATOM 106 OG1 THR A 7 9.426 10.263 -3.789 1.00 0.00 O ATOM 107 CG2 THR A 7 8.688 12.542 -4.007 1.00 0.00 C ATOM 0 H THR A 7 7.678 9.374 -2.176 1.00 0.00 H new ATOM 0 HA THR A 7 6.334 11.495 -3.758 1.00 0.00 H new ATOM 0 HB THR A 7 8.271 10.926 -5.371 1.00 0.00 H new ATOM 0 HG1 THR A 7 10.272 10.547 -4.194 1.00 0.00 H new ATOM 0 HG21 THR A 7 9.647 12.798 -4.458 1.00 0.00 H new ATOM 0 HG22 THR A 7 7.908 13.175 -4.430 1.00 0.00 H new ATOM 0 HG23 THR A 7 8.740 12.700 -2.930 1.00 0.00 H new ATOM 115 N ASN A 8 5.717 9.750 -5.565 1.00 0.00 N ATOM 116 CA ASN A 8 5.094 8.762 -6.455 1.00 0.00 C ATOM 117 C ASN A 8 5.615 9.087 -7.840 1.00 0.00 C ATOM 118 O ASN A 8 5.583 10.258 -8.222 1.00 0.00 O ATOM 119 CB ASN A 8 3.559 8.853 -6.399 1.00 0.00 C ATOM 120 CG ASN A 8 2.999 8.657 -4.993 1.00 0.00 C ATOM 121 OD1 ASN A 8 2.817 9.622 -4.256 1.00 0.00 O ATOM 122 ND2 ASN A 8 2.725 7.434 -4.572 1.00 0.00 N ATOM 0 H ASN A 8 5.613 10.706 -5.905 1.00 0.00 H new ATOM 0 HA ASN A 8 5.341 7.742 -6.162 1.00 0.00 H new ATOM 0 HB2 ASN A 8 3.245 9.826 -6.777 1.00 0.00 H new ATOM 0 HB3 ASN A 8 3.132 8.101 -7.062 1.00 0.00 H new ATOM 0 HD21 ASN A 8 2.360 7.288 -3.631 1.00 0.00 H new ATOM 0 HD22 ASN A 8 2.878 6.636 -5.189 1.00 0.00 H new ATOM 129 N THR A 9 6.113 8.091 -8.573 1.00 0.00 N ATOM 130 CA THR A 9 6.727 8.302 -9.880 1.00 0.00 C ATOM 131 C THR A 9 5.997 7.470 -10.924 1.00 0.00 C ATOM 132 O THR A 9 5.677 6.303 -10.689 1.00 0.00 O ATOM 133 CB THR A 9 8.239 8.016 -9.845 1.00 0.00 C ATOM 134 OG1 THR A 9 8.869 8.811 -8.855 1.00 0.00 O ATOM 135 CG2 THR A 9 8.928 8.233 -11.205 1.00 0.00 C ATOM 0 H THR A 9 6.101 7.115 -8.275 1.00 0.00 H new ATOM 0 HA THR A 9 6.629 9.351 -10.158 1.00 0.00 H new ATOM 0 HB THR A 9 8.347 6.960 -9.598 1.00 0.00 H new ATOM 0 HG1 THR A 9 9.830 8.618 -8.843 1.00 0.00 H new ATOM 0 HG21 THR A 9 9.992 8.015 -11.113 1.00 0.00 H new ATOM 0 HG22 THR A 9 8.484 7.570 -11.948 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.796 9.269 -11.519 1.00 0.00 H new ATOM 143 N TRP A 10 5.793 8.055 -12.099 1.00 0.00 N ATOM 144 CA TRP A 10 5.187 7.422 -13.253 1.00 0.00 C ATOM 145 C TRP A 10 6.041 7.755 -14.458 1.00 0.00 C ATOM 146 O TRP A 10 6.673 8.810 -14.489 1.00 0.00 O ATOM 147 CB TRP A 10 3.770 7.978 -13.444 1.00 0.00 C ATOM 148 CG TRP A 10 2.843 7.757 -12.294 1.00 0.00 C ATOM 149 CD1 TRP A 10 2.046 6.687 -12.130 1.00 0.00 C ATOM 150 CD2 TRP A 10 2.563 8.627 -11.164 1.00 0.00 C ATOM 151 NE1 TRP A 10 1.317 6.813 -10.966 1.00 0.00 N ATOM 152 CE2 TRP A 10 1.565 8.019 -10.347 1.00 0.00 C ATOM 153 CE3 TRP A 10 3.032 9.895 -10.777 1.00 0.00 C ATOM 154 CZ2 TRP A 10 1.043 8.657 -9.213 1.00 0.00 C ATOM 155 CZ3 TRP A 10 2.491 10.559 -9.665 1.00 0.00 C ATOM 156 CH2 TRP A 10 1.492 9.949 -8.885 1.00 0.00 C ATOM 0 H TRP A 10 6.058 9.024 -12.275 1.00 0.00 H new ATOM 0 HA TRP A 10 5.125 6.342 -13.122 1.00 0.00 H new ATOM 0 HB2 TRP A 10 3.839 9.049 -13.634 1.00 0.00 H new ATOM 0 HB3 TRP A 10 3.335 7.524 -14.334 1.00 0.00 H new ATOM 0 HD1 TRP A 10 1.985 5.851 -12.811 1.00 0.00 H new ATOM 0 HE1 TRP A 10 0.676 6.104 -10.609 1.00 0.00 H new ATOM 0 HE3 TRP A 10 3.821 10.366 -11.345 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 0.305 8.162 -8.599 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 2.845 11.546 -9.406 1.00 0.00 H new ATOM 0 HH2 TRP A 10 1.071 10.470 -8.038 1.00 0.00 H new ATOM 167 N VAL A 11 6.038 6.891 -15.466 1.00 0.00 N ATOM 168 CA VAL A 11 6.614 7.181 -16.763 1.00 0.00 C ATOM 169 C VAL A 11 5.494 7.172 -17.799 1.00 0.00 C ATOM 170 O VAL A 11 4.591 6.334 -17.738 1.00 0.00 O ATOM 171 CB VAL A 11 7.817 6.267 -17.065 1.00 0.00 C ATOM 172 CG1 VAL A 11 7.433 4.788 -17.192 1.00 0.00 C ATOM 173 CG2 VAL A 11 8.568 6.749 -18.320 1.00 0.00 C ATOM 0 H VAL A 11 5.629 5.959 -15.399 1.00 0.00 H new ATOM 0 HA VAL A 11 7.052 8.179 -16.788 1.00 0.00 H new ATOM 0 HB VAL A 11 8.483 6.338 -16.205 1.00 0.00 H new ATOM 0 HG11 VAL A 11 8.324 4.198 -17.405 1.00 0.00 H new ATOM 0 HG12 VAL A 11 6.986 4.447 -16.258 1.00 0.00 H new ATOM 0 HG13 VAL A 11 6.715 4.667 -18.003 1.00 0.00 H new ATOM 0 HG21 VAL A 11 9.413 6.089 -18.514 1.00 0.00 H new ATOM 0 HG22 VAL A 11 7.893 6.735 -19.176 1.00 0.00 H new ATOM 0 HG23 VAL A 11 8.930 7.765 -18.160 1.00 0.00 H new ATOM 183 N LEU A 12 5.548 8.111 -18.742 1.00 0.00 N ATOM 184 CA LEU A 12 4.679 8.173 -19.904 1.00 0.00 C ATOM 185 C LEU A 12 5.576 8.100 -21.119 1.00 0.00 C ATOM 186 O LEU A 12 6.552 8.843 -21.188 1.00 0.00 O ATOM 187 CB LEU A 12 3.883 9.489 -19.934 1.00 0.00 C ATOM 188 CG LEU A 12 3.041 9.782 -18.691 1.00 0.00 C ATOM 189 CD1 LEU A 12 2.410 11.170 -18.840 1.00 0.00 C ATOM 190 CD2 LEU A 12 1.965 8.710 -18.531 1.00 0.00 C ATOM 0 H LEU A 12 6.224 8.874 -18.712 1.00 0.00 H new ATOM 0 HA LEU A 12 3.958 7.356 -19.879 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.582 10.312 -20.079 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.224 9.474 -20.802 1.00 0.00 H new ATOM 0 HG LEU A 12 3.668 9.768 -17.799 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.806 11.392 -17.960 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.196 11.918 -18.939 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.778 11.189 -19.728 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.368 8.923 -17.644 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.321 8.707 -19.410 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.437 7.733 -18.424 1.00 0.00 H new ATOM 202 N HIS A 13 5.230 7.257 -22.084 1.00 0.00 N ATOM 203 CA HIS A 13 5.873 7.229 -23.385 1.00 0.00 C ATOM 204 C HIS A 13 4.880 7.844 -24.369 1.00 0.00 C ATOM 205 O HIS A 13 3.819 7.258 -24.606 1.00 0.00 O ATOM 206 CB HIS A 13 6.288 5.795 -23.741 1.00 0.00 C ATOM 207 CG HIS A 13 6.973 5.651 -25.081 1.00 0.00 C ATOM 208 ND1 HIS A 13 7.788 6.575 -25.701 1.00 0.00 N ATOM 209 CD2 HIS A 13 6.930 4.549 -25.891 1.00 0.00 C ATOM 210 CE1 HIS A 13 8.234 6.036 -26.849 1.00 0.00 C ATOM 211 NE2 HIS A 13 7.733 4.795 -27.014 1.00 0.00 N ATOM 0 H HIS A 13 4.486 6.567 -21.981 1.00 0.00 H new ATOM 0 HA HIS A 13 6.798 7.805 -23.408 1.00 0.00 H new ATOM 0 HB2 HIS A 13 6.955 5.421 -22.965 1.00 0.00 H new ATOM 0 HB3 HIS A 13 5.401 5.161 -23.731 1.00 0.00 H new ATOM 0 HD1 HIS A 13 8.013 7.506 -25.350 1.00 0.00 H new ATOM 0 HD2 HIS A 13 6.373 3.644 -25.698 1.00 0.00 H new ATOM 0 HE1 HIS A 13 8.900 6.528 -27.542 1.00 0.00 H new ATOM 219 N MET A 14 5.174 9.046 -24.878 1.00 0.00 N ATOM 220 CA MET A 14 4.274 9.824 -25.722 1.00 0.00 C ATOM 221 C MET A 14 5.102 10.605 -26.742 1.00 0.00 C ATOM 222 O MET A 14 6.165 11.117 -26.397 1.00 0.00 O ATOM 223 CB MET A 14 3.409 10.792 -24.893 1.00 0.00 C ATOM 224 CG MET A 14 2.569 10.097 -23.811 1.00 0.00 C ATOM 225 SD MET A 14 1.376 11.137 -22.916 1.00 0.00 S ATOM 226 CE MET A 14 2.430 12.480 -22.310 1.00 0.00 C ATOM 0 H MET A 14 6.066 9.511 -24.708 1.00 0.00 H new ATOM 0 HA MET A 14 3.598 9.137 -26.231 1.00 0.00 H new ATOM 0 HB2 MET A 14 4.057 11.530 -24.419 1.00 0.00 H new ATOM 0 HB3 MET A 14 2.744 11.336 -25.564 1.00 0.00 H new ATOM 0 HG2 MET A 14 2.024 9.277 -24.277 1.00 0.00 H new ATOM 0 HG3 MET A 14 3.249 9.655 -23.083 1.00 0.00 H new ATOM 0 HE1 MET A 14 1.922 13.004 -21.500 1.00 0.00 H new ATOM 0 HE2 MET A 14 3.370 12.068 -21.943 1.00 0.00 H new ATOM 0 HE3 MET A 14 2.633 13.178 -23.122 1.00 0.00 H new ATOM 236 N ASP A 15 4.615 10.702 -27.983 1.00 0.00 N ATOM 237 CA ASP A 15 5.261 11.425 -29.088 1.00 0.00 C ATOM 238 C ASP A 15 6.737 11.023 -29.281 1.00 0.00 C ATOM 239 O ASP A 15 7.605 11.844 -29.589 1.00 0.00 O ATOM 240 CB ASP A 15 5.032 12.940 -28.957 1.00 0.00 C ATOM 241 CG ASP A 15 5.469 13.714 -30.219 1.00 0.00 C ATOM 242 OD1 ASP A 15 5.150 13.274 -31.353 1.00 0.00 O ATOM 243 OD2 ASP A 15 6.075 14.806 -30.084 1.00 0.00 O ATOM 0 H ASP A 15 3.734 10.267 -28.257 1.00 0.00 H new ATOM 0 HA ASP A 15 4.779 11.121 -30.017 1.00 0.00 H new ATOM 0 HB2 ASP A 15 3.976 13.130 -28.766 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.584 13.315 -28.095 1.00 0.00 H new ATOM 248 N GLY A 16 7.033 9.736 -29.055 1.00 0.00 N ATOM 249 CA GLY A 16 8.372 9.162 -29.149 1.00 0.00 C ATOM 250 C GLY A 16 9.274 9.487 -27.948 1.00 0.00 C ATOM 251 O GLY A 16 10.339 8.881 -27.808 1.00 0.00 O ATOM 0 H GLY A 16 6.324 9.050 -28.795 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.287 8.080 -29.245 1.00 0.00 H new ATOM 0 HA3 GLY A 16 8.850 9.526 -30.059 1.00 0.00 H new ATOM 255 N GLU A 17 8.863 10.402 -27.067 1.00 0.00 N ATOM 256 CA GLU A 17 9.579 10.796 -25.869 1.00 0.00 C ATOM 257 C GLU A 17 9.181 9.923 -24.679 1.00 0.00 C ATOM 258 O GLU A 17 8.179 9.203 -24.722 1.00 0.00 O ATOM 259 CB GLU A 17 9.333 12.292 -25.576 1.00 0.00 C ATOM 260 CG GLU A 17 10.598 13.138 -25.777 1.00 0.00 C ATOM 261 CD GLU A 17 11.612 12.987 -24.622 1.00 0.00 C ATOM 262 OE1 GLU A 17 12.084 11.853 -24.364 1.00 0.00 O ATOM 263 OE2 GLU A 17 11.961 14.010 -23.985 1.00 0.00 O ATOM 0 H GLU A 17 7.983 10.905 -27.181 1.00 0.00 H new ATOM 0 HA GLU A 17 10.646 10.649 -26.035 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.542 12.663 -26.228 1.00 0.00 H new ATOM 0 HB3 GLU A 17 8.980 12.407 -24.551 1.00 0.00 H new ATOM 0 HG2 GLU A 17 11.076 12.851 -26.713 1.00 0.00 H new ATOM 0 HG3 GLU A 17 10.316 14.187 -25.872 1.00 0.00 H new ATOM 270 N ASN A 18 9.965 10.004 -23.605 1.00 0.00 N ATOM 271 CA ASN A 18 9.654 9.433 -22.306 1.00 0.00 C ATOM 272 C ASN A 18 9.660 10.567 -21.291 1.00 0.00 C ATOM 273 O ASN A 18 10.619 11.340 -21.207 1.00 0.00 O ATOM 274 CB ASN A 18 10.615 8.303 -21.913 1.00 0.00 C ATOM 275 CG ASN A 18 10.086 6.952 -22.385 1.00 0.00 C ATOM 276 OD1 ASN A 18 9.432 6.236 -21.634 1.00 0.00 O ATOM 277 ND2 ASN A 18 10.314 6.590 -23.640 1.00 0.00 N ATOM 0 H ASN A 18 10.864 10.486 -23.621 1.00 0.00 H new ATOM 0 HA ASN A 18 8.670 8.965 -22.340 1.00 0.00 H new ATOM 0 HB2 ASN A 18 11.597 8.487 -22.349 1.00 0.00 H new ATOM 0 HB3 ASN A 18 10.745 8.290 -20.831 1.00 0.00 H new ATOM 0 HD21 ASN A 18 9.944 5.707 -23.991 1.00 0.00 H new ATOM 0 HD22 ASN A 18 10.859 7.195 -24.254 1.00 0.00 H new ATOM 284 N PHE A 19 8.588 10.647 -20.508 1.00 0.00 N ATOM 285 CA PHE A 19 8.384 11.658 -19.484 1.00 0.00 C ATOM 286 C PHE A 19 8.272 10.956 -18.141 1.00 0.00 C ATOM 287 O PHE A 19 7.342 10.177 -17.947 1.00 0.00 O ATOM 288 CB PHE A 19 7.119 12.474 -19.789 1.00 0.00 C ATOM 289 CG PHE A 19 7.118 13.170 -21.137 1.00 0.00 C ATOM 290 CD1 PHE A 19 7.702 14.445 -21.270 1.00 0.00 C ATOM 291 CD2 PHE A 19 6.529 12.547 -22.255 1.00 0.00 C ATOM 292 CE1 PHE A 19 7.704 15.090 -22.520 1.00 0.00 C ATOM 293 CE2 PHE A 19 6.527 13.200 -23.502 1.00 0.00 C ATOM 294 CZ PHE A 19 7.118 14.467 -23.635 1.00 0.00 C ATOM 0 H PHE A 19 7.814 9.986 -20.574 1.00 0.00 H new ATOM 0 HA PHE A 19 9.224 12.353 -19.463 1.00 0.00 H new ATOM 0 HB2 PHE A 19 6.255 11.811 -19.738 1.00 0.00 H new ATOM 0 HB3 PHE A 19 6.991 13.224 -19.009 1.00 0.00 H new ATOM 0 HD1 PHE A 19 8.148 14.927 -20.413 1.00 0.00 H new ATOM 0 HD2 PHE A 19 6.080 11.570 -22.155 1.00 0.00 H new ATOM 0 HE1 PHE A 19 8.156 16.065 -22.623 1.00 0.00 H new ATOM 0 HE2 PHE A 19 6.070 12.726 -24.358 1.00 0.00 H new ATOM 0 HZ PHE A 19 7.122 14.963 -24.595 1.00 0.00 H new ATOM 304 N ARG A 20 9.192 11.204 -17.211 1.00 0.00 N ATOM 305 CA ARG A 20 9.073 10.771 -15.828 1.00 0.00 C ATOM 306 C ARG A 20 8.397 11.875 -15.046 1.00 0.00 C ATOM 307 O ARG A 20 8.912 12.986 -14.955 1.00 0.00 O ATOM 308 CB ARG A 20 10.417 10.346 -15.233 1.00 0.00 C ATOM 309 CG ARG A 20 10.722 8.908 -15.685 1.00 0.00 C ATOM 310 CD ARG A 20 11.319 8.117 -14.526 1.00 0.00 C ATOM 311 NE ARG A 20 11.683 6.744 -14.927 1.00 0.00 N ATOM 312 CZ ARG A 20 12.290 5.833 -14.152 1.00 0.00 C ATOM 313 NH1 ARG A 20 12.620 6.118 -12.894 1.00 0.00 N ATOM 314 NH2 ARG A 20 12.558 4.626 -14.643 1.00 0.00 N ATOM 0 H ARG A 20 10.051 11.719 -17.404 1.00 0.00 H new ATOM 0 HA ARG A 20 8.458 9.873 -15.774 1.00 0.00 H new ATOM 0 HB2 ARG A 20 11.207 11.021 -15.562 1.00 0.00 H new ATOM 0 HB3 ARG A 20 10.383 10.401 -14.145 1.00 0.00 H new ATOM 0 HG2 ARG A 20 9.809 8.426 -16.034 1.00 0.00 H new ATOM 0 HG3 ARG A 20 11.417 8.921 -16.525 1.00 0.00 H new ATOM 0 HD2 ARG A 20 12.204 8.633 -14.152 1.00 0.00 H new ATOM 0 HD3 ARG A 20 10.602 8.078 -13.706 1.00 0.00 H new ATOM 0 HE ARG A 20 11.452 6.462 -15.880 1.00 0.00 H new ATOM 0 HH11 ARG A 20 12.412 7.039 -12.508 1.00 0.00 H new ATOM 0 HH12 ARG A 20 13.081 5.415 -12.316 1.00 0.00 H new ATOM 0 HH21 ARG A 20 12.302 4.398 -15.604 1.00 0.00 H new ATOM 0 HH22 ARG A 20 13.019 3.929 -14.059 1.00 0.00 H new ATOM 328 N ILE A 21 7.232 11.553 -14.513 1.00 0.00 N ATOM 329 CA ILE A 21 6.441 12.401 -13.653 1.00 0.00 C ATOM 330 C ILE A 21 6.807 11.964 -12.252 1.00 0.00 C ATOM 331 O ILE A 21 6.769 10.766 -11.978 1.00 0.00 O ATOM 332 CB ILE A 21 4.929 12.205 -13.922 1.00 0.00 C ATOM 333 CG1 ILE A 21 4.446 12.790 -15.266 1.00 0.00 C ATOM 334 CG2 ILE A 21 4.039 12.831 -12.823 1.00 0.00 C ATOM 335 CD1 ILE A 21 5.298 12.499 -16.501 1.00 0.00 C ATOM 0 H ILE A 21 6.794 10.647 -14.679 1.00 0.00 H new ATOM 0 HA ILE A 21 6.638 13.460 -13.819 1.00 0.00 H new ATOM 0 HB ILE A 21 4.824 11.120 -13.938 1.00 0.00 H new ATOM 0 HG12 ILE A 21 3.439 12.417 -15.455 1.00 0.00 H new ATOM 0 HG13 ILE A 21 4.370 13.872 -15.156 1.00 0.00 H new ATOM 0 HG21 ILE A 21 2.990 12.662 -13.065 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.269 12.370 -11.862 1.00 0.00 H new ATOM 0 HG23 ILE A 21 4.231 13.903 -12.766 1.00 0.00 H new ATOM 0 HD11 ILE A 21 4.845 12.968 -17.374 1.00 0.00 H new ATOM 0 HD12 ILE A 21 6.301 12.899 -16.354 1.00 0.00 H new ATOM 0 HD13 ILE A 21 5.356 11.422 -16.657 1.00 0.00 H new ATOM 347 N VAL A 22 7.090 12.902 -11.361 1.00 0.00 N ATOM 348 CA VAL A 22 7.243 12.637 -9.948 1.00 0.00 C ATOM 349 C VAL A 22 6.334 13.615 -9.215 1.00 0.00 C ATOM 350 O VAL A 22 6.435 14.826 -9.400 1.00 0.00 O ATOM 351 CB VAL A 22 8.720 12.727 -9.517 1.00 0.00 C ATOM 352 CG1 VAL A 22 8.889 12.294 -8.051 1.00 0.00 C ATOM 353 CG2 VAL A 22 9.646 11.867 -10.391 1.00 0.00 C ATOM 0 H VAL A 22 7.221 13.883 -11.609 1.00 0.00 H new ATOM 0 HA VAL A 22 6.948 11.618 -9.698 1.00 0.00 H new ATOM 0 HB VAL A 22 9.005 13.772 -9.639 1.00 0.00 H new ATOM 0 HG11 VAL A 22 9.940 12.366 -7.769 1.00 0.00 H new ATOM 0 HG12 VAL A 22 8.296 12.945 -7.409 1.00 0.00 H new ATOM 0 HG13 VAL A 22 8.552 11.264 -7.935 1.00 0.00 H new ATOM 0 HG21 VAL A 22 10.674 11.969 -10.042 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.342 10.822 -10.325 1.00 0.00 H new ATOM 0 HG23 VAL A 22 9.580 12.199 -11.427 1.00 0.00 H new ATOM 363 N LEU A 23 5.430 13.094 -8.393 1.00 0.00 N ATOM 364 CA LEU A 23 4.643 13.882 -7.458 1.00 0.00 C ATOM 365 C LEU A 23 5.446 13.977 -6.170 1.00 0.00 C ATOM 366 O LEU A 23 5.772 12.946 -5.581 1.00 0.00 O ATOM 367 CB LEU A 23 3.289 13.197 -7.219 1.00 0.00 C ATOM 368 CG LEU A 23 2.539 13.663 -5.948 1.00 0.00 C ATOM 369 CD1 LEU A 23 2.086 15.123 -6.026 1.00 0.00 C ATOM 370 CD2 LEU A 23 1.323 12.768 -5.709 1.00 0.00 C ATOM 0 H LEU A 23 5.222 12.096 -8.359 1.00 0.00 H new ATOM 0 HA LEU A 23 4.440 14.880 -7.846 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.651 13.373 -8.085 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.449 12.121 -7.155 1.00 0.00 H new ATOM 0 HG LEU A 23 3.242 13.585 -5.119 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.566 15.392 -5.107 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.956 15.768 -6.153 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.413 15.250 -6.874 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.798 13.099 -4.813 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.652 12.829 -6.566 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.651 11.737 -5.577 1.00 0.00 H new ATOM 382 N GLU A 24 5.737 15.195 -5.728 1.00 0.00 N ATOM 383 CA GLU A 24 6.289 15.489 -4.425 1.00 0.00 C ATOM 384 C GLU A 24 5.104 15.657 -3.479 1.00 0.00 C ATOM 385 O GLU A 24 4.353 16.628 -3.606 1.00 0.00 O ATOM 386 CB GLU A 24 7.160 16.758 -4.552 1.00 0.00 C ATOM 387 CG GLU A 24 8.592 16.485 -4.107 1.00 0.00 C ATOM 388 CD GLU A 24 8.772 16.357 -2.583 1.00 0.00 C ATOM 389 OE1 GLU A 24 7.845 15.879 -1.889 1.00 0.00 O ATOM 390 OE2 GLU A 24 9.864 16.740 -2.095 1.00 0.00 O ATOM 0 H GLU A 24 5.587 16.031 -6.293 1.00 0.00 H new ATOM 0 HA GLU A 24 6.932 14.702 -4.032 1.00 0.00 H new ATOM 0 HB2 GLU A 24 7.156 17.104 -5.586 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.734 17.558 -3.947 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.937 15.566 -4.580 1.00 0.00 H new ATOM 0 HG3 GLU A 24 9.232 17.290 -4.470 1.00 0.00 H new ATOM 397 N LYS A 25 4.885 14.717 -2.549 1.00 0.00 N ATOM 398 CA LYS A 25 3.677 14.752 -1.715 1.00 0.00 C ATOM 399 C LYS A 25 3.694 15.948 -0.762 1.00 0.00 C ATOM 400 O LYS A 25 2.629 16.428 -0.378 1.00 0.00 O ATOM 401 CB LYS A 25 3.507 13.479 -0.892 1.00 0.00 C ATOM 402 CG LYS A 25 3.191 12.260 -1.771 1.00 0.00 C ATOM 403 CD LYS A 25 3.203 10.984 -0.923 1.00 0.00 C ATOM 404 CE LYS A 25 2.050 10.975 0.106 1.00 0.00 C ATOM 405 NZ LYS A 25 1.967 9.720 0.907 1.00 0.00 N ATOM 0 H LYS A 25 5.515 13.938 -2.358 1.00 0.00 H new ATOM 0 HA LYS A 25 2.838 14.841 -2.405 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.419 13.290 -0.325 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.705 13.621 -0.168 1.00 0.00 H new ATOM 0 HG2 LYS A 25 2.216 12.384 -2.242 1.00 0.00 H new ATOM 0 HG3 LYS A 25 3.925 12.180 -2.573 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.118 10.113 -1.573 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.157 10.901 -0.402 1.00 0.00 H new ATOM 0 HE2 LYS A 25 2.174 11.820 0.784 1.00 0.00 H new ATOM 0 HE3 LYS A 25 1.106 11.123 -0.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 1.183 9.793 1.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 1.801 8.913 0.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 2.859 9.577 1.422 1.00 0.00 H new ATOM 419 N ASP A 26 4.883 16.425 -0.380 1.00 0.00 N ATOM 420 CA ASP A 26 5.034 17.414 0.688 1.00 0.00 C ATOM 421 C ASP A 26 4.408 18.764 0.326 1.00 0.00 C ATOM 422 O ASP A 26 3.916 19.474 1.206 1.00 0.00 O ATOM 423 CB ASP A 26 6.517 17.602 1.019 1.00 0.00 C ATOM 424 CG ASP A 26 6.682 18.398 2.321 1.00 0.00 C ATOM 425 OD1 ASP A 26 6.251 17.899 3.388 1.00 0.00 O ATOM 426 OD2 ASP A 26 7.313 19.482 2.318 1.00 0.00 O ATOM 0 H ASP A 26 5.765 16.136 -0.803 1.00 0.00 H new ATOM 0 HA ASP A 26 4.503 17.032 1.560 1.00 0.00 H new ATOM 0 HB2 ASP A 26 7.000 16.630 1.117 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.015 18.124 0.202 1.00 0.00 H new ATOM 431 N ALA A 27 4.393 19.094 -0.974 1.00 0.00 N ATOM 432 CA ALA A 27 3.787 20.292 -1.535 1.00 0.00 C ATOM 433 C ALA A 27 2.706 19.985 -2.586 1.00 0.00 C ATOM 434 O ALA A 27 2.077 20.915 -3.097 1.00 0.00 O ATOM 435 CB ALA A 27 4.898 21.184 -2.110 1.00 0.00 C ATOM 0 H ALA A 27 4.823 18.503 -1.686 1.00 0.00 H new ATOM 0 HA ALA A 27 3.267 20.819 -0.735 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.457 22.086 -2.534 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.592 21.458 -1.316 1.00 0.00 H new ATOM 0 HB3 ALA A 27 5.434 20.641 -2.889 1.00 0.00 H new ATOM 441 N MET A 28 2.493 18.703 -2.923 1.00 0.00 N ATOM 442 CA MET A 28 1.671 18.251 -4.046 1.00 0.00 C ATOM 443 C MET A 28 2.114 18.929 -5.354 1.00 0.00 C ATOM 444 O MET A 28 1.292 19.291 -6.200 1.00 0.00 O ATOM 445 CB MET A 28 0.160 18.308 -3.751 1.00 0.00 C ATOM 446 CG MET A 28 -0.211 17.456 -2.529 1.00 0.00 C ATOM 447 SD MET A 28 -1.991 17.163 -2.314 1.00 0.00 S ATOM 448 CE MET A 28 -2.266 15.869 -3.561 1.00 0.00 C ATOM 0 H MET A 28 2.905 17.930 -2.400 1.00 0.00 H new ATOM 0 HA MET A 28 1.849 17.186 -4.193 1.00 0.00 H new ATOM 0 HB2 MET A 28 -0.139 19.342 -3.578 1.00 0.00 H new ATOM 0 HB3 MET A 28 -0.394 17.957 -4.621 1.00 0.00 H new ATOM 0 HG2 MET A 28 0.294 16.493 -2.608 1.00 0.00 H new ATOM 0 HG3 MET A 28 0.173 17.944 -1.633 1.00 0.00 H new ATOM 0 HE1 MET A 28 -3.316 15.577 -3.557 1.00 0.00 H new ATOM 0 HE2 MET A 28 -2.000 16.251 -4.547 1.00 0.00 H new ATOM 0 HE3 MET A 28 -1.647 15.002 -3.329 1.00 0.00 H new ATOM 458 N ASP A 29 3.432 19.125 -5.502 1.00 0.00 N ATOM 459 CA ASP A 29 4.045 19.711 -6.686 1.00 0.00 C ATOM 460 C ASP A 29 4.418 18.579 -7.638 1.00 0.00 C ATOM 461 O ASP A 29 4.768 17.486 -7.178 1.00 0.00 O ATOM 462 CB ASP A 29 5.270 20.559 -6.316 1.00 0.00 C ATOM 463 CG ASP A 29 5.731 21.496 -7.447 1.00 0.00 C ATOM 464 OD1 ASP A 29 5.054 21.606 -8.496 1.00 0.00 O ATOM 465 OD2 ASP A 29 6.767 22.174 -7.246 1.00 0.00 O ATOM 0 H ASP A 29 4.109 18.873 -4.782 1.00 0.00 H new ATOM 0 HA ASP A 29 3.339 20.383 -7.174 1.00 0.00 H new ATOM 0 HB2 ASP A 29 5.037 21.155 -5.433 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.092 19.897 -6.045 1.00 0.00 H new ATOM 470 N VAL A 30 4.334 18.809 -8.947 1.00 0.00 N ATOM 471 CA VAL A 30 4.545 17.775 -9.942 1.00 0.00 C ATOM 472 C VAL A 30 5.751 18.135 -10.813 1.00 0.00 C ATOM 473 O VAL A 30 5.746 19.108 -11.573 1.00 0.00 O ATOM 474 CB VAL A 30 3.219 17.472 -10.668 1.00 0.00 C ATOM 475 CG1 VAL A 30 2.860 18.407 -11.825 1.00 0.00 C ATOM 476 CG2 VAL A 30 3.262 16.034 -11.193 1.00 0.00 C ATOM 0 H VAL A 30 4.116 19.724 -9.343 1.00 0.00 H new ATOM 0 HA VAL A 30 4.821 16.821 -9.493 1.00 0.00 H new ATOM 0 HB VAL A 30 2.441 17.628 -9.921 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.909 18.099 -12.260 1.00 0.00 H new ATOM 0 HG12 VAL A 30 2.776 19.429 -11.454 1.00 0.00 H new ATOM 0 HG13 VAL A 30 3.639 18.360 -12.586 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.329 15.807 -11.709 1.00 0.00 H new ATOM 0 HG22 VAL A 30 4.096 15.925 -11.886 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.392 15.346 -10.358 1.00 0.00 H new ATOM 486 N TRP A 31 6.798 17.323 -10.696 1.00 0.00 N ATOM 487 CA TRP A 31 7.951 17.343 -11.563 1.00 0.00 C ATOM 488 C TRP A 31 7.596 16.524 -12.801 1.00 0.00 C ATOM 489 O TRP A 31 7.023 15.444 -12.664 1.00 0.00 O ATOM 490 CB TRP A 31 9.139 16.695 -10.828 1.00 0.00 C ATOM 491 CG TRP A 31 9.367 17.078 -9.387 1.00 0.00 C ATOM 492 CD1 TRP A 31 9.045 16.350 -8.292 1.00 0.00 C ATOM 493 CD2 TRP A 31 10.017 18.270 -8.860 1.00 0.00 C ATOM 494 NE1 TRP A 31 9.485 16.987 -7.155 1.00 0.00 N ATOM 495 CE2 TRP A 31 10.115 18.173 -7.443 1.00 0.00 C ATOM 496 CE3 TRP A 31 10.548 19.421 -9.458 1.00 0.00 C ATOM 497 CZ2 TRP A 31 10.745 19.153 -6.661 1.00 0.00 C ATOM 498 CZ3 TRP A 31 11.198 20.409 -8.691 1.00 0.00 C ATOM 499 CH2 TRP A 31 11.303 20.274 -7.296 1.00 0.00 C ATOM 0 H TRP A 31 6.860 16.612 -9.967 1.00 0.00 H new ATOM 0 HA TRP A 31 8.224 18.361 -11.843 1.00 0.00 H new ATOM 0 HB2 TRP A 31 9.010 15.614 -10.871 1.00 0.00 H new ATOM 0 HB3 TRP A 31 10.046 16.930 -11.385 1.00 0.00 H new ATOM 0 HD1 TRP A 31 8.519 15.407 -8.309 1.00 0.00 H new ATOM 0 HE1 TRP A 31 9.359 16.622 -6.211 1.00 0.00 H new ATOM 0 HE3 TRP A 31 10.457 19.553 -10.526 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 10.800 19.047 -5.588 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 11.618 21.276 -9.179 1.00 0.00 H new ATOM 0 HH2 TRP A 31 11.811 21.029 -6.715 1.00 0.00 H new ATOM 510 N CYS A 32 7.956 16.984 -13.995 1.00 0.00 N ATOM 511 CA CYS A 32 7.881 16.212 -15.232 1.00 0.00 C ATOM 512 C CYS A 32 9.214 16.452 -15.937 1.00 0.00 C ATOM 513 O CYS A 32 9.511 17.587 -16.307 1.00 0.00 O ATOM 514 CB CYS A 32 6.659 16.661 -16.041 1.00 0.00 C ATOM 515 SG CYS A 32 6.575 15.823 -17.649 1.00 0.00 S ATOM 0 H CYS A 32 8.317 17.928 -14.133 1.00 0.00 H new ATOM 0 HA CYS A 32 7.742 15.142 -15.076 1.00 0.00 H new ATOM 0 HB2 CYS A 32 5.751 16.454 -15.475 1.00 0.00 H new ATOM 0 HB3 CYS A 32 6.700 17.739 -16.194 1.00 0.00 H new ATOM 0 HG CYS A 32 7.716 15.942 -18.261 1.00 0.00 H new ATOM 521 N ASN A 33 10.040 15.406 -16.059 1.00 0.00 N ATOM 522 CA ASN A 33 11.437 15.477 -16.525 1.00 0.00 C ATOM 523 C ASN A 33 12.199 16.619 -15.829 1.00 0.00 C ATOM 524 O ASN A 33 12.927 17.388 -16.460 1.00 0.00 O ATOM 525 CB ASN A 33 11.533 15.489 -18.071 1.00 0.00 C ATOM 526 CG ASN A 33 11.287 14.125 -18.715 1.00 0.00 C ATOM 527 OD1 ASN A 33 11.087 13.124 -18.033 1.00 0.00 O ATOM 528 ND2 ASN A 33 11.291 14.031 -20.037 1.00 0.00 N ATOM 0 H ASN A 33 9.749 14.456 -15.830 1.00 0.00 H new ATOM 0 HA ASN A 33 11.947 14.561 -16.225 1.00 0.00 H new ATOM 0 HB2 ASN A 33 10.809 16.202 -18.465 1.00 0.00 H new ATOM 0 HB3 ASN A 33 12.522 15.845 -18.362 1.00 0.00 H new ATOM 0 HD21 ASN A 33 11.128 13.129 -20.485 1.00 0.00 H new ATOM 0 HD22 ASN A 33 11.457 14.861 -20.607 1.00 0.00 H new ATOM 535 N GLY A 34 11.992 16.756 -14.512 1.00 0.00 N ATOM 536 CA GLY A 34 12.660 17.740 -13.660 1.00 0.00 C ATOM 537 C GLY A 34 12.076 19.160 -13.727 1.00 0.00 C ATOM 538 O GLY A 34 12.392 19.973 -12.856 1.00 0.00 O ATOM 0 H GLY A 34 11.336 16.167 -13.999 1.00 0.00 H new ATOM 0 HA2 GLY A 34 12.616 17.394 -12.627 1.00 0.00 H new ATOM 0 HA3 GLY A 34 13.713 17.783 -13.937 1.00 0.00 H new ATOM 542 N LYS A 35 11.211 19.479 -14.698 1.00 0.00 N ATOM 543 CA LYS A 35 10.541 20.782 -14.769 1.00 0.00 C ATOM 544 C LYS A 35 9.295 20.727 -13.891 1.00 0.00 C ATOM 545 O LYS A 35 8.560 19.741 -13.963 1.00 0.00 O ATOM 546 CB LYS A 35 10.175 21.122 -16.230 1.00 0.00 C ATOM 547 CG LYS A 35 11.356 21.117 -17.218 1.00 0.00 C ATOM 548 CD LYS A 35 12.472 22.110 -16.854 1.00 0.00 C ATOM 549 CE LYS A 35 13.537 22.113 -17.961 1.00 0.00 C ATOM 550 NZ LYS A 35 14.647 23.064 -17.682 1.00 0.00 N ATOM 0 H LYS A 35 10.957 18.843 -15.454 1.00 0.00 H new ATOM 0 HA LYS A 35 11.207 21.567 -14.410 1.00 0.00 H new ATOM 0 HB2 LYS A 35 9.429 20.407 -16.577 1.00 0.00 H new ATOM 0 HB3 LYS A 35 9.708 22.107 -16.251 1.00 0.00 H new ATOM 0 HG2 LYS A 35 11.776 20.112 -17.263 1.00 0.00 H new ATOM 0 HG3 LYS A 35 10.984 21.352 -18.216 1.00 0.00 H new ATOM 0 HD2 LYS A 35 12.057 23.110 -16.731 1.00 0.00 H new ATOM 0 HD3 LYS A 35 12.923 21.833 -15.901 1.00 0.00 H new ATOM 0 HE2 LYS A 35 13.944 21.108 -18.072 1.00 0.00 H new ATOM 0 HE3 LYS A 35 13.069 22.374 -18.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 15.338 23.028 -18.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 14.266 24.028 -17.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 15.113 22.801 -16.790 1.00 0.00 H new ATOM 564 N LYS A 36 9.020 21.748 -13.078 1.00 0.00 N ATOM 565 CA LYS A 36 7.772 21.801 -12.327 1.00 0.00 C ATOM 566 C LYS A 36 6.675 22.218 -13.301 1.00 0.00 C ATOM 567 O LYS A 36 6.775 23.298 -13.894 1.00 0.00 O ATOM 568 CB LYS A 36 7.870 22.799 -11.163 1.00 0.00 C ATOM 569 CG LYS A 36 9.002 22.479 -10.173 1.00 0.00 C ATOM 570 CD LYS A 36 9.674 23.749 -9.635 1.00 0.00 C ATOM 571 CE LYS A 36 8.701 24.640 -8.840 1.00 0.00 C ATOM 572 NZ LYS A 36 9.355 25.871 -8.319 1.00 0.00 N ATOM 0 H LYS A 36 9.642 22.542 -12.926 1.00 0.00 H new ATOM 0 HA LYS A 36 7.551 20.826 -11.891 1.00 0.00 H new ATOM 0 HB2 LYS A 36 8.023 23.800 -11.566 1.00 0.00 H new ATOM 0 HB3 LYS A 36 6.922 22.813 -10.626 1.00 0.00 H new ATOM 0 HG2 LYS A 36 8.602 21.900 -9.340 1.00 0.00 H new ATOM 0 HG3 LYS A 36 9.748 21.855 -10.665 1.00 0.00 H new ATOM 0 HD2 LYS A 36 10.511 23.470 -8.995 1.00 0.00 H new ATOM 0 HD3 LYS A 36 10.086 24.319 -10.468 1.00 0.00 H new ATOM 0 HE2 LYS A 36 7.864 24.920 -9.480 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.289 24.070 -8.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 8.660 26.437 -7.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.138 25.607 -7.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 9.725 26.430 -9.114 1.00 0.00 H new ATOM 586 N LEU A 37 5.649 21.391 -13.496 1.00 0.00 N ATOM 587 CA LEU A 37 4.507 21.775 -14.314 1.00 0.00 C ATOM 588 C LEU A 37 3.575 22.708 -13.557 1.00 0.00 C ATOM 589 O LEU A 37 3.634 22.865 -12.335 1.00 0.00 O ATOM 590 CB LEU A 37 3.682 20.566 -14.789 1.00 0.00 C ATOM 591 CG LEU A 37 4.461 19.516 -15.574 1.00 0.00 C ATOM 592 CD1 LEU A 37 3.486 18.471 -16.114 1.00 0.00 C ATOM 593 CD2 LEU A 37 5.256 20.157 -16.714 1.00 0.00 C ATOM 0 H LEU A 37 5.588 20.454 -13.098 1.00 0.00 H new ATOM 0 HA LEU A 37 4.929 22.279 -15.183 1.00 0.00 H new ATOM 0 HB2 LEU A 37 3.234 20.087 -13.918 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.863 20.927 -15.410 1.00 0.00 H new ATOM 0 HG LEU A 37 5.178 19.034 -14.909 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.036 17.717 -16.677 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.965 17.996 -15.283 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.760 18.954 -16.768 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.801 19.385 -17.256 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.572 20.664 -17.395 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.962 20.880 -16.304 1.00 0.00 H new ATOM 605 N GLU A 38 2.685 23.299 -14.343 1.00 0.00 N ATOM 606 CA GLU A 38 1.537 24.040 -13.874 1.00 0.00 C ATOM 607 C GLU A 38 0.500 23.012 -13.401 1.00 0.00 C ATOM 608 O GLU A 38 0.419 21.918 -13.965 1.00 0.00 O ATOM 609 CB GLU A 38 0.992 24.943 -14.994 1.00 0.00 C ATOM 610 CG GLU A 38 0.669 24.202 -16.308 1.00 0.00 C ATOM 611 CD GLU A 38 0.205 25.183 -17.400 1.00 0.00 C ATOM 612 OE1 GLU A 38 -1.013 25.483 -17.470 1.00 0.00 O ATOM 613 OE2 GLU A 38 1.048 25.654 -18.203 1.00 0.00 O ATOM 0 H GLU A 38 2.751 23.271 -15.360 1.00 0.00 H new ATOM 0 HA GLU A 38 1.798 24.701 -13.048 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.088 25.438 -14.638 1.00 0.00 H new ATOM 0 HB3 GLU A 38 1.722 25.725 -15.202 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.552 23.663 -16.651 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.108 23.459 -16.128 1.00 0.00 H new ATOM 620 N THR A 39 -0.295 23.353 -12.391 1.00 0.00 N ATOM 621 CA THR A 39 -1.277 22.456 -11.782 1.00 0.00 C ATOM 622 C THR A 39 -2.514 23.261 -11.362 1.00 0.00 C ATOM 623 O THR A 39 -2.420 24.445 -11.020 1.00 0.00 O ATOM 624 CB THR A 39 -0.666 21.687 -10.584 1.00 0.00 C ATOM 625 OG1 THR A 39 0.237 22.496 -9.838 1.00 0.00 O ATOM 626 CG2 THR A 39 0.065 20.415 -11.041 1.00 0.00 C ATOM 0 H THR A 39 -0.276 24.279 -11.963 1.00 0.00 H new ATOM 0 HA THR A 39 -1.579 21.709 -12.516 1.00 0.00 H new ATOM 0 HB THR A 39 -1.504 21.410 -9.944 1.00 0.00 H new ATOM 0 HG1 THR A 39 0.600 21.977 -9.090 1.00 0.00 H new ATOM 0 HG21 THR A 39 0.480 19.902 -10.173 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.637 19.755 -11.551 1.00 0.00 H new ATOM 0 HG23 THR A 39 0.871 20.684 -11.724 1.00 0.00 H new ATOM 634 N ALA A 40 -3.670 22.599 -11.372 1.00 0.00 N ATOM 635 CA ALA A 40 -4.927 23.080 -10.810 1.00 0.00 C ATOM 636 C ALA A 40 -5.490 21.911 -10.008 1.00 0.00 C ATOM 637 O ALA A 40 -5.360 20.774 -10.457 1.00 0.00 O ATOM 638 CB ALA A 40 -5.890 23.511 -11.921 1.00 0.00 C ATOM 0 H ALA A 40 -3.758 21.673 -11.791 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.781 23.958 -10.180 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.821 23.866 -11.478 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.437 24.312 -12.505 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.099 22.662 -12.572 1.00 0.00 H new ATOM 644 N GLY A 41 -6.072 22.155 -8.836 1.00 0.00 N ATOM 645 CA GLY A 41 -6.506 21.112 -7.920 1.00 0.00 C ATOM 646 C GLY A 41 -8.003 21.256 -7.757 1.00 0.00 C ATOM 647 O GLY A 41 -8.458 22.195 -7.096 1.00 0.00 O ATOM 0 H GLY A 41 -6.256 23.098 -8.494 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -6.254 20.126 -8.312 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -6.003 21.211 -6.958 1.00 0.00 H new ATOM 651 N GLU A 42 -8.760 20.353 -8.372 1.00 0.00 N ATOM 652 CA GLU A 42 -10.194 20.251 -8.183 1.00 0.00 C ATOM 653 C GLU A 42 -10.486 19.193 -7.126 1.00 0.00 C ATOM 654 O GLU A 42 -9.718 18.245 -6.955 1.00 0.00 O ATOM 655 CB GLU A 42 -10.910 19.950 -9.509 1.00 0.00 C ATOM 656 CG GLU A 42 -11.209 21.259 -10.242 1.00 0.00 C ATOM 657 CD GLU A 42 -11.994 21.050 -11.552 1.00 0.00 C ATOM 658 OE1 GLU A 42 -13.170 20.610 -11.500 1.00 0.00 O ATOM 659 OE2 GLU A 42 -11.462 21.382 -12.641 1.00 0.00 O ATOM 0 H GLU A 42 -8.385 19.664 -9.024 1.00 0.00 H new ATOM 0 HA GLU A 42 -10.581 21.208 -7.833 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.288 19.307 -10.132 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.837 19.409 -9.318 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -11.779 21.915 -9.584 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.271 21.767 -10.464 1.00 0.00 H new ATOM 666 N PHE A 43 -11.608 19.342 -6.426 1.00 0.00 N ATOM 667 CA PHE A 43 -12.037 18.414 -5.385 1.00 0.00 C ATOM 668 C PHE A 43 -13.398 17.842 -5.760 1.00 0.00 C ATOM 669 O PHE A 43 -14.269 18.572 -6.249 1.00 0.00 O ATOM 670 CB PHE A 43 -12.070 19.121 -4.026 1.00 0.00 C ATOM 671 CG PHE A 43 -12.354 18.187 -2.864 1.00 0.00 C ATOM 672 CD1 PHE A 43 -11.338 17.339 -2.381 1.00 0.00 C ATOM 673 CD2 PHE A 43 -13.630 18.149 -2.273 1.00 0.00 C ATOM 674 CE1 PHE A 43 -11.597 16.458 -1.318 1.00 0.00 C ATOM 675 CE2 PHE A 43 -13.889 17.266 -1.210 1.00 0.00 C ATOM 676 CZ PHE A 43 -12.872 16.420 -0.730 1.00 0.00 C ATOM 0 H PHE A 43 -12.252 20.120 -6.568 1.00 0.00 H new ATOM 0 HA PHE A 43 -11.328 17.590 -5.302 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -11.113 19.615 -3.859 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -12.831 19.901 -4.049 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -10.356 17.366 -2.830 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -14.412 18.799 -2.636 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -10.815 15.809 -0.952 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -14.871 17.237 -0.761 1.00 0.00 H new ATOM 0 HZ PHE A 43 -13.071 15.744 0.088 1.00 0.00 H new ATOM 686 N VAL A 44 -13.580 16.549 -5.515 1.00 0.00 N ATOM 687 CA VAL A 44 -14.808 15.816 -5.730 1.00 0.00 C ATOM 688 C VAL A 44 -15.155 14.995 -4.485 1.00 0.00 C ATOM 689 O VAL A 44 -14.315 14.762 -3.615 1.00 0.00 O ATOM 690 CB VAL A 44 -14.681 14.928 -6.990 1.00 0.00 C ATOM 691 CG1 VAL A 44 -15.130 15.716 -8.223 1.00 0.00 C ATOM 692 CG2 VAL A 44 -13.297 14.300 -7.232 1.00 0.00 C ATOM 0 H VAL A 44 -12.834 15.961 -5.143 1.00 0.00 H new ATOM 0 HA VAL A 44 -15.626 16.516 -5.901 1.00 0.00 H new ATOM 0 HB VAL A 44 -15.336 14.077 -6.805 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -15.039 15.088 -9.109 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -16.169 16.023 -8.100 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -14.502 16.599 -8.339 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -13.324 13.699 -8.141 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -12.553 15.089 -7.341 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -13.032 13.666 -6.386 1.00 0.00 H new ATOM 702 N ASP A 45 -16.387 14.483 -4.441 1.00 0.00 N ATOM 703 CA ASP A 45 -16.921 13.610 -3.388 1.00 0.00 C ATOM 704 C ASP A 45 -16.326 12.185 -3.432 1.00 0.00 C ATOM 705 O ASP A 45 -16.949 11.203 -3.025 1.00 0.00 O ATOM 706 CB ASP A 45 -18.462 13.613 -3.401 1.00 0.00 C ATOM 707 CG ASP A 45 -19.079 12.687 -4.468 1.00 0.00 C ATOM 708 OD1 ASP A 45 -18.692 12.781 -5.659 1.00 0.00 O ATOM 709 OD2 ASP A 45 -20.001 11.905 -4.131 1.00 0.00 O ATOM 0 H ASP A 45 -17.073 14.673 -5.172 1.00 0.00 H new ATOM 0 HA ASP A 45 -16.602 14.024 -2.431 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -18.825 13.311 -2.418 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -18.812 14.631 -3.571 1.00 0.00 H new ATOM 714 N ASP A 46 -15.101 12.090 -3.939 1.00 0.00 N ATOM 715 CA ASP A 46 -14.328 10.889 -4.228 1.00 0.00 C ATOM 716 C ASP A 46 -12.835 11.077 -3.897 1.00 0.00 C ATOM 717 O ASP A 46 -12.130 10.093 -3.662 1.00 0.00 O ATOM 718 CB ASP A 46 -14.503 10.570 -5.717 1.00 0.00 C ATOM 719 CG ASP A 46 -13.682 9.350 -6.159 1.00 0.00 C ATOM 720 OD1 ASP A 46 -14.020 8.211 -5.753 1.00 0.00 O ATOM 721 OD2 ASP A 46 -12.745 9.530 -6.974 1.00 0.00 O ATOM 0 H ASP A 46 -14.576 12.931 -4.180 1.00 0.00 H new ATOM 0 HA ASP A 46 -14.689 10.069 -3.607 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -15.558 10.388 -5.925 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -14.206 11.437 -6.308 1.00 0.00 H new ATOM 726 N GLY A 47 -12.337 12.320 -3.842 1.00 0.00 N ATOM 727 CA GLY A 47 -10.931 12.622 -3.647 1.00 0.00 C ATOM 728 C GLY A 47 -10.595 13.958 -4.304 1.00 0.00 C ATOM 729 O GLY A 47 -11.475 14.789 -4.541 1.00 0.00 O ATOM 0 H GLY A 47 -12.919 13.152 -3.935 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -10.702 12.662 -2.582 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -10.316 11.830 -4.076 1.00 0.00 H new ATOM 733 N THR A 48 -9.328 14.142 -4.654 1.00 0.00 N ATOM 734 CA THR A 48 -8.826 15.344 -5.302 1.00 0.00 C ATOM 735 C THR A 48 -8.313 14.944 -6.680 1.00 0.00 C ATOM 736 O THR A 48 -7.859 13.814 -6.878 1.00 0.00 O ATOM 737 CB THR A 48 -7.742 16.032 -4.442 1.00 0.00 C ATOM 738 OG1 THR A 48 -8.012 15.891 -3.051 1.00 0.00 O ATOM 739 CG2 THR A 48 -7.604 17.530 -4.744 1.00 0.00 C ATOM 0 H THR A 48 -8.605 13.442 -4.490 1.00 0.00 H new ATOM 0 HA THR A 48 -9.621 16.082 -5.414 1.00 0.00 H new ATOM 0 HB THR A 48 -6.810 15.530 -4.702 1.00 0.00 H new ATOM 0 HG1 THR A 48 -7.308 16.335 -2.534 1.00 0.00 H new ATOM 0 HG21 THR A 48 -6.828 17.959 -4.110 1.00 0.00 H new ATOM 0 HG22 THR A 48 -7.334 17.667 -5.791 1.00 0.00 H new ATOM 0 HG23 THR A 48 -8.552 18.030 -4.546 1.00 0.00 H new ATOM 747 N GLU A 49 -8.373 15.862 -7.634 1.00 0.00 N ATOM 748 CA GLU A 49 -7.901 15.680 -8.991 1.00 0.00 C ATOM 749 C GLU A 49 -7.007 16.873 -9.337 1.00 0.00 C ATOM 750 O GLU A 49 -7.486 17.997 -9.505 1.00 0.00 O ATOM 751 CB GLU A 49 -9.079 15.483 -9.960 1.00 0.00 C ATOM 752 CG GLU A 49 -9.839 14.186 -9.637 1.00 0.00 C ATOM 753 CD GLU A 49 -10.973 13.844 -10.623 1.00 0.00 C ATOM 754 OE1 GLU A 49 -11.708 14.749 -11.086 1.00 0.00 O ATOM 755 OE2 GLU A 49 -11.168 12.631 -10.882 1.00 0.00 O ATOM 0 H GLU A 49 -8.768 16.789 -7.473 1.00 0.00 H new ATOM 0 HA GLU A 49 -7.307 14.771 -9.086 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -9.757 16.334 -9.893 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -8.711 15.449 -10.985 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -9.129 13.359 -9.619 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.259 14.267 -8.634 1.00 0.00 H new ATOM 762 N THR A 50 -5.694 16.640 -9.400 1.00 0.00 N ATOM 763 CA THR A 50 -4.706 17.656 -9.745 1.00 0.00 C ATOM 764 C THR A 50 -4.458 17.554 -11.247 1.00 0.00 C ATOM 765 O THR A 50 -3.799 16.613 -11.680 1.00 0.00 O ATOM 766 CB THR A 50 -3.445 17.472 -8.884 1.00 0.00 C ATOM 767 OG1 THR A 50 -3.769 17.806 -7.544 1.00 0.00 O ATOM 768 CG2 THR A 50 -2.252 18.313 -9.362 1.00 0.00 C ATOM 0 H THR A 50 -5.285 15.725 -9.209 1.00 0.00 H new ATOM 0 HA THR A 50 -5.055 18.666 -9.530 1.00 0.00 H new ATOM 0 HB THR A 50 -3.132 16.431 -8.969 1.00 0.00 H new ATOM 0 HG1 THR A 50 -2.977 17.693 -6.978 1.00 0.00 H new ATOM 0 HG21 THR A 50 -1.397 18.135 -8.710 1.00 0.00 H new ATOM 0 HG22 THR A 50 -1.995 18.032 -10.383 1.00 0.00 H new ATOM 0 HG23 THR A 50 -2.517 19.370 -9.332 1.00 0.00 H new ATOM 776 N HIS A 51 -5.000 18.480 -12.033 1.00 0.00 N ATOM 777 CA HIS A 51 -4.972 18.463 -13.493 1.00 0.00 C ATOM 778 C HIS A 51 -3.725 19.176 -14.016 1.00 0.00 C ATOM 779 O HIS A 51 -3.286 20.165 -13.419 1.00 0.00 O ATOM 780 CB HIS A 51 -6.236 19.130 -14.058 1.00 0.00 C ATOM 781 CG HIS A 51 -7.518 18.399 -13.741 1.00 0.00 C ATOM 782 ND1 HIS A 51 -8.139 17.459 -14.535 1.00 0.00 N ATOM 783 CD2 HIS A 51 -8.303 18.571 -12.630 1.00 0.00 C ATOM 784 CE1 HIS A 51 -9.260 17.061 -13.908 1.00 0.00 C ATOM 785 NE2 HIS A 51 -9.410 17.719 -12.741 1.00 0.00 N ATOM 0 H HIS A 51 -5.489 19.293 -11.657 1.00 0.00 H new ATOM 0 HA HIS A 51 -4.942 17.425 -13.823 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -6.303 20.145 -13.666 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -6.136 19.212 -15.140 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -8.103 19.246 -11.811 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -9.945 16.317 -14.287 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -10.175 17.617 -12.074 1.00 0.00 H new ATOM 793 N PHE A 52 -3.190 18.703 -15.144 1.00 0.00 N ATOM 794 CA PHE A 52 -2.131 19.333 -15.927 1.00 0.00 C ATOM 795 C PHE A 52 -2.186 18.768 -17.359 1.00 0.00 C ATOM 796 O PHE A 52 -3.088 17.999 -17.688 1.00 0.00 O ATOM 797 CB PHE A 52 -0.763 19.118 -15.247 1.00 0.00 C ATOM 798 CG PHE A 52 -0.409 17.703 -14.832 1.00 0.00 C ATOM 799 CD1 PHE A 52 -0.828 17.237 -13.571 1.00 0.00 C ATOM 800 CD2 PHE A 52 0.390 16.880 -15.650 1.00 0.00 C ATOM 801 CE1 PHE A 52 -0.447 15.967 -13.119 1.00 0.00 C ATOM 802 CE2 PHE A 52 0.778 15.606 -15.189 1.00 0.00 C ATOM 803 CZ PHE A 52 0.372 15.156 -13.921 1.00 0.00 C ATOM 0 H PHE A 52 -3.502 17.823 -15.555 1.00 0.00 H new ATOM 0 HA PHE A 52 -2.276 20.412 -15.982 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.011 19.474 -15.926 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.724 19.750 -14.360 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.448 17.864 -12.947 1.00 0.00 H new ATOM 0 HD2 PHE A 52 0.703 17.223 -16.625 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -0.783 15.612 -12.156 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.390 14.972 -15.813 1.00 0.00 H new ATOM 0 HZ PHE A 52 0.690 14.188 -13.564 1.00 0.00 H new ATOM 813 N SER A 53 -1.226 19.130 -18.211 1.00 0.00 N ATOM 814 CA SER A 53 -1.102 18.625 -19.576 1.00 0.00 C ATOM 815 C SER A 53 0.379 18.497 -19.925 1.00 0.00 C ATOM 816 O SER A 53 1.207 19.255 -19.409 1.00 0.00 O ATOM 817 CB SER A 53 -1.801 19.549 -20.588 1.00 0.00 C ATOM 818 OG SER A 53 -3.168 19.764 -20.259 1.00 0.00 O ATOM 0 H SER A 53 -0.496 19.799 -17.964 1.00 0.00 H new ATOM 0 HA SER A 53 -1.588 17.651 -19.630 1.00 0.00 H new ATOM 0 HB2 SER A 53 -1.282 20.507 -20.623 1.00 0.00 H new ATOM 0 HB3 SER A 53 -1.732 19.113 -21.585 1.00 0.00 H new ATOM 0 HG SER A 53 -3.575 20.357 -20.925 1.00 0.00 H new ATOM 824 N ILE A 54 0.711 17.538 -20.788 1.00 0.00 N ATOM 825 CA ILE A 54 2.055 17.246 -21.266 1.00 0.00 C ATOM 826 C ILE A 54 1.882 17.075 -22.774 1.00 0.00 C ATOM 827 O ILE A 54 1.193 16.155 -23.225 1.00 0.00 O ATOM 828 CB ILE A 54 2.615 15.995 -20.545 1.00 0.00 C ATOM 829 CG1 ILE A 54 2.796 16.287 -19.038 1.00 0.00 C ATOM 830 CG2 ILE A 54 3.958 15.544 -21.154 1.00 0.00 C ATOM 831 CD1 ILE A 54 3.019 15.050 -18.171 1.00 0.00 C ATOM 0 H ILE A 54 0.012 16.914 -21.191 1.00 0.00 H new ATOM 0 HA ILE A 54 2.787 18.026 -21.056 1.00 0.00 H new ATOM 0 HB ILE A 54 1.896 15.187 -20.676 1.00 0.00 H new ATOM 0 HG12 ILE A 54 3.644 16.960 -18.911 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.913 16.814 -18.675 1.00 0.00 H new ATOM 0 HG21 ILE A 54 4.321 14.664 -20.623 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.816 15.300 -22.207 1.00 0.00 H new ATOM 0 HG23 ILE A 54 4.687 16.349 -21.063 1.00 0.00 H new ATOM 0 HD11 ILE A 54 3.136 15.351 -17.130 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.162 14.383 -18.262 1.00 0.00 H new ATOM 0 HD13 ILE A 54 3.919 14.531 -18.502 1.00 0.00 H new ATOM 843 N GLY A 55 2.465 17.985 -23.554 1.00 0.00 N ATOM 844 CA GLY A 55 2.191 18.059 -24.982 1.00 0.00 C ATOM 845 C GLY A 55 0.696 18.326 -25.180 1.00 0.00 C ATOM 846 O GLY A 55 0.108 19.149 -24.472 1.00 0.00 O ATOM 0 H GLY A 55 3.130 18.681 -23.217 1.00 0.00 H new ATOM 0 HA2 GLY A 55 2.781 18.853 -25.440 1.00 0.00 H new ATOM 0 HA3 GLY A 55 2.477 17.128 -25.471 1.00 0.00 H new ATOM 850 N ASN A 56 0.074 17.598 -26.111 1.00 0.00 N ATOM 851 CA ASN A 56 -1.364 17.690 -26.378 1.00 0.00 C ATOM 852 C ASN A 56 -2.207 16.918 -25.349 1.00 0.00 C ATOM 853 O ASN A 56 -3.427 17.091 -25.298 1.00 0.00 O ATOM 854 CB ASN A 56 -1.627 17.166 -27.801 1.00 0.00 C ATOM 855 CG ASN A 56 -3.092 17.299 -28.220 1.00 0.00 C ATOM 856 OD1 ASN A 56 -3.812 16.307 -28.326 1.00 0.00 O ATOM 857 ND2 ASN A 56 -3.560 18.510 -28.494 1.00 0.00 N ATOM 0 H ASN A 56 0.557 16.924 -26.705 1.00 0.00 H new ATOM 0 HA ASN A 56 -1.666 18.734 -26.293 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -1.001 17.713 -28.506 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -1.331 16.118 -27.858 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -4.527 18.627 -28.797 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -2.953 19.324 -28.402 1.00 0.00 H new ATOM 864 N HIS A 57 -1.588 16.057 -24.534 1.00 0.00 N ATOM 865 CA HIS A 57 -2.297 15.116 -23.674 1.00 0.00 C ATOM 866 C HIS A 57 -2.600 15.780 -22.335 1.00 0.00 C ATOM 867 O HIS A 57 -1.684 16.291 -21.688 1.00 0.00 O ATOM 868 CB HIS A 57 -1.459 13.839 -23.487 1.00 0.00 C ATOM 869 CG HIS A 57 -0.959 13.250 -24.785 1.00 0.00 C ATOM 870 ND1 HIS A 57 -1.671 12.467 -25.666 1.00 0.00 N ATOM 871 CD2 HIS A 57 0.286 13.434 -25.328 1.00 0.00 C ATOM 872 CE1 HIS A 57 -0.872 12.187 -26.711 1.00 0.00 C ATOM 873 NE2 HIS A 57 0.337 12.760 -26.555 1.00 0.00 N ATOM 0 H HIS A 57 -0.573 15.997 -24.455 1.00 0.00 H new ATOM 0 HA HIS A 57 -3.241 14.832 -24.139 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -0.606 14.064 -22.847 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -2.059 13.093 -22.966 1.00 0.00 H new ATOM 0 HD2 HIS A 57 1.091 14.002 -24.885 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -1.161 11.585 -27.560 1.00 0.00 H new ATOM 0 HE2 HIS A 57 1.127 12.713 -27.198 1.00 0.00 H new ATOM 881 N ASP A 58 -3.859 15.758 -21.899 1.00 0.00 N ATOM 882 CA ASP A 58 -4.209 16.171 -20.543 1.00 0.00 C ATOM 883 C ASP A 58 -4.013 14.996 -19.587 1.00 0.00 C ATOM 884 O ASP A 58 -4.147 13.826 -19.970 1.00 0.00 O ATOM 885 CB ASP A 58 -5.612 16.768 -20.422 1.00 0.00 C ATOM 886 CG ASP A 58 -6.686 15.701 -20.140 1.00 0.00 C ATOM 887 OD1 ASP A 58 -7.193 15.087 -21.109 1.00 0.00 O ATOM 888 OD2 ASP A 58 -7.043 15.498 -18.955 1.00 0.00 O ATOM 0 H ASP A 58 -4.652 15.458 -22.466 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.535 16.983 -20.269 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.621 17.508 -19.621 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.860 17.294 -21.344 1.00 0.00 H new ATOM 893 N CYS A 59 -3.664 15.319 -18.347 1.00 0.00 N ATOM 894 CA CYS A 59 -3.313 14.385 -17.298 1.00 0.00 C ATOM 895 C CYS A 59 -3.928 14.872 -15.994 1.00 0.00 C ATOM 896 O CYS A 59 -4.106 16.077 -15.809 1.00 0.00 O ATOM 897 CB CYS A 59 -1.790 14.337 -17.093 1.00 0.00 C ATOM 898 SG CYS A 59 -0.850 14.396 -18.646 1.00 0.00 S ATOM 0 H CYS A 59 -3.618 16.289 -18.036 1.00 0.00 H new ATOM 0 HA CYS A 59 -3.677 13.397 -17.579 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -1.489 15.174 -16.463 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.532 13.425 -16.555 1.00 0.00 H new ATOM 0 HG CYS A 59 0.159 13.580 -18.573 1.00 0.00 H new ATOM 904 N TYR A 60 -4.208 13.972 -15.058 1.00 0.00 N ATOM 905 CA TYR A 60 -4.561 14.383 -13.718 1.00 0.00 C ATOM 906 C TYR A 60 -4.070 13.351 -12.722 1.00 0.00 C ATOM 907 O TYR A 60 -4.103 12.154 -12.995 1.00 0.00 O ATOM 908 CB TYR A 60 -6.056 14.708 -13.592 1.00 0.00 C ATOM 909 CG TYR A 60 -7.047 13.564 -13.714 1.00 0.00 C ATOM 910 CD1 TYR A 60 -7.173 12.618 -12.680 1.00 0.00 C ATOM 911 CD2 TYR A 60 -7.900 13.488 -14.831 1.00 0.00 C ATOM 912 CE1 TYR A 60 -8.134 11.598 -12.765 1.00 0.00 C ATOM 913 CE2 TYR A 60 -8.909 12.508 -14.890 1.00 0.00 C ATOM 914 CZ TYR A 60 -9.039 11.561 -13.847 1.00 0.00 C ATOM 915 OH TYR A 60 -9.990 10.582 -13.884 1.00 0.00 O ATOM 0 H TYR A 60 -4.196 12.963 -15.207 1.00 0.00 H new ATOM 0 HA TYR A 60 -4.056 15.320 -13.484 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -6.214 15.185 -12.624 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -6.303 15.446 -14.355 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -6.527 12.677 -11.816 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -7.780 14.185 -15.647 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -8.181 10.838 -11.999 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -9.584 12.479 -15.732 1.00 0.00 H new ATOM 0 HH TYR A 60 -10.538 10.689 -14.689 1.00 0.00 H new ATOM 925 N ILE A 61 -3.622 13.795 -11.554 1.00 0.00 N ATOM 926 CA ILE A 61 -3.339 12.897 -10.446 1.00 0.00 C ATOM 927 C ILE A 61 -4.659 12.770 -9.698 1.00 0.00 C ATOM 928 O ILE A 61 -5.180 13.770 -9.205 1.00 0.00 O ATOM 929 CB ILE A 61 -2.171 13.414 -9.586 1.00 0.00 C ATOM 930 CG1 ILE A 61 -0.855 13.255 -10.375 1.00 0.00 C ATOM 931 CG2 ILE A 61 -2.066 12.677 -8.235 1.00 0.00 C ATOM 932 CD1 ILE A 61 0.250 14.180 -9.860 1.00 0.00 C ATOM 0 H ILE A 61 -3.447 14.779 -11.351 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.997 11.915 -10.771 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.357 14.465 -9.363 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.518 12.220 -10.310 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.039 13.465 -11.429 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.227 13.078 -7.666 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.988 12.818 -7.671 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.909 11.613 -8.412 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.155 14.029 -10.449 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.073 15.217 -9.950 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.456 13.953 -8.814 1.00 0.00 H new ATOM 944 N LYS A 62 -5.202 11.557 -9.634 1.00 0.00 N ATOM 945 CA LYS A 62 -6.337 11.226 -8.788 1.00 0.00 C ATOM 946 C LYS A 62 -5.729 10.919 -7.432 1.00 0.00 C ATOM 947 O LYS A 62 -4.923 9.997 -7.328 1.00 0.00 O ATOM 948 CB LYS A 62 -7.100 10.024 -9.382 1.00 0.00 C ATOM 949 CG LYS A 62 -8.628 10.169 -9.303 1.00 0.00 C ATOM 950 CD LYS A 62 -9.304 8.938 -9.936 1.00 0.00 C ATOM 951 CE LYS A 62 -10.836 9.014 -9.872 1.00 0.00 C ATOM 952 NZ LYS A 62 -11.429 9.907 -10.907 1.00 0.00 N ATOM 0 H LYS A 62 -4.858 10.766 -10.179 1.00 0.00 H new ATOM 0 HA LYS A 62 -7.069 12.030 -8.710 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -6.808 9.898 -10.425 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -6.801 9.118 -8.855 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -8.939 10.271 -8.263 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -8.944 11.075 -9.821 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -8.990 8.849 -10.976 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -8.966 8.037 -9.423 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -11.247 8.011 -9.989 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -11.134 9.367 -8.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -12.418 9.633 -11.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -11.395 10.892 -10.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -10.889 9.820 -11.791 1.00 0.00 H new ATOM 966 N ALA A 63 -6.074 11.692 -6.414 1.00 0.00 N ATOM 967 CA ALA A 63 -5.707 11.456 -5.037 1.00 0.00 C ATOM 968 C ALA A 63 -6.999 11.026 -4.357 1.00 0.00 C ATOM 969 O ALA A 63 -7.793 11.855 -3.919 1.00 0.00 O ATOM 970 CB ALA A 63 -5.103 12.728 -4.453 1.00 0.00 C ATOM 0 H ALA A 63 -6.639 12.532 -6.535 1.00 0.00 H new ATOM 0 HA ALA A 63 -4.947 10.686 -4.904 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -4.824 12.555 -3.414 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.217 13.006 -5.024 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.835 13.534 -4.503 1.00 0.00 H new ATOM 976 N VAL A 64 -7.250 9.723 -4.360 1.00 0.00 N ATOM 977 CA VAL A 64 -8.513 9.124 -3.974 1.00 0.00 C ATOM 978 C VAL A 64 -8.484 8.818 -2.483 1.00 0.00 C ATOM 979 O VAL A 64 -7.577 8.112 -2.052 1.00 0.00 O ATOM 980 CB VAL A 64 -8.760 7.823 -4.775 1.00 0.00 C ATOM 981 CG1 VAL A 64 -10.264 7.588 -4.939 1.00 0.00 C ATOM 982 CG2 VAL A 64 -8.111 7.791 -6.169 1.00 0.00 C ATOM 0 H VAL A 64 -6.553 9.034 -4.642 1.00 0.00 H new ATOM 0 HA VAL A 64 -9.323 9.821 -4.191 1.00 0.00 H new ATOM 0 HB VAL A 64 -8.286 7.035 -4.189 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -10.429 6.671 -5.504 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -10.727 7.498 -3.957 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -10.707 8.428 -5.474 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -8.338 6.842 -6.654 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -8.503 8.610 -6.772 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -7.031 7.898 -6.070 1.00 0.00 H new ATOM 992 N SER A 65 -9.455 9.267 -1.689 1.00 0.00 N ATOM 993 CA SER A 65 -9.546 8.946 -0.266 1.00 0.00 C ATOM 994 C SER A 65 -10.238 7.586 -0.064 1.00 0.00 C ATOM 995 O SER A 65 -11.249 7.465 0.635 1.00 0.00 O ATOM 996 CB SER A 65 -10.145 10.140 0.501 1.00 0.00 C ATOM 997 OG SER A 65 -11.104 10.857 -0.272 1.00 0.00 O ATOM 0 H SER A 65 -10.208 9.870 -2.019 1.00 0.00 H new ATOM 0 HA SER A 65 -8.558 8.804 0.172 1.00 0.00 H new ATOM 0 HB2 SER A 65 -10.615 9.781 1.416 1.00 0.00 H new ATOM 0 HB3 SER A 65 -9.343 10.816 0.798 1.00 0.00 H new ATOM 0 HG SER A 65 -11.457 11.603 0.256 1.00 0.00 H new ATOM 1003 N SER A 66 -9.699 6.551 -0.717 1.00 0.00 N ATOM 1004 CA SER A 66 -10.250 5.202 -0.696 1.00 0.00 C ATOM 1005 C SER A 66 -10.020 4.522 0.660 1.00 0.00 C ATOM 1006 O SER A 66 -10.883 3.771 1.121 1.00 0.00 O ATOM 1007 CB SER A 66 -9.615 4.387 -1.832 1.00 0.00 C ATOM 1008 OG SER A 66 -9.822 5.020 -3.084 1.00 0.00 O ATOM 0 H SER A 66 -8.854 6.634 -1.283 1.00 0.00 H new ATOM 0 HA SER A 66 -11.328 5.257 -0.844 1.00 0.00 H new ATOM 0 HB2 SER A 66 -8.546 4.272 -1.650 1.00 0.00 H new ATOM 0 HB3 SER A 66 -10.044 3.385 -1.851 1.00 0.00 H new ATOM 0 HG SER A 66 -9.408 4.485 -3.793 1.00 0.00 H new ATOM 1014 N GLY A 67 -8.874 4.771 1.304 1.00 0.00 N ATOM 1015 CA GLY A 67 -8.548 4.196 2.601 1.00 0.00 C ATOM 1016 C GLY A 67 -9.293 4.925 3.719 1.00 0.00 C ATOM 1017 O GLY A 67 -9.389 6.156 3.708 1.00 0.00 O ATOM 0 H GLY A 67 -8.147 5.382 0.932 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -8.811 3.138 2.612 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.473 4.259 2.772 1.00 0.00 H new ATOM 1021 N LYS A 68 -9.805 4.168 4.695 1.00 0.00 N ATOM 1022 CA LYS A 68 -10.470 4.727 5.879 1.00 0.00 C ATOM 1023 C LYS A 68 -9.442 5.221 6.908 1.00 0.00 C ATOM 1024 O LYS A 68 -9.734 6.136 7.682 1.00 0.00 O ATOM 1025 CB LYS A 68 -11.423 3.657 6.448 1.00 0.00 C ATOM 1026 CG LYS A 68 -12.364 4.205 7.538 1.00 0.00 C ATOM 1027 CD LYS A 68 -13.363 3.160 8.061 1.00 0.00 C ATOM 1028 CE LYS A 68 -14.405 2.755 7.006 1.00 0.00 C ATOM 1029 NZ LYS A 68 -15.408 1.798 7.546 1.00 0.00 N ATOM 0 H LYS A 68 -9.770 3.149 4.687 1.00 0.00 H new ATOM 0 HA LYS A 68 -11.057 5.604 5.608 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -12.020 3.242 5.636 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -10.835 2.838 6.862 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -11.767 4.575 8.371 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -12.915 5.056 7.138 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -12.818 2.274 8.387 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -13.875 3.559 8.937 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -14.915 3.646 6.641 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -13.899 2.305 6.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -16.090 1.553 6.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -14.925 0.936 7.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -15.910 2.235 8.345 1.00 0.00 H new ATOM 1043 N ARG A 69 -8.244 4.623 6.930 1.00 0.00 N ATOM 1044 CA ARG A 69 -7.150 5.012 7.824 1.00 0.00 C ATOM 1045 C ARG A 69 -6.706 6.444 7.503 1.00 0.00 C ATOM 1046 O ARG A 69 -6.870 6.906 6.368 1.00 0.00 O ATOM 1047 CB ARG A 69 -6.005 3.984 7.664 1.00 0.00 C ATOM 1048 CG ARG A 69 -4.863 4.058 8.697 1.00 0.00 C ATOM 1049 CD ARG A 69 -5.316 3.681 10.116 1.00 0.00 C ATOM 1050 NE ARG A 69 -4.186 3.715 11.064 1.00 0.00 N ATOM 1051 CZ ARG A 69 -4.243 3.405 12.368 1.00 0.00 C ATOM 1052 NH1 ARG A 69 -5.390 3.015 12.926 1.00 0.00 N ATOM 1053 NH2 ARG A 69 -3.140 3.479 13.110 1.00 0.00 N ATOM 0 H ARG A 69 -8.006 3.843 6.317 1.00 0.00 H new ATOM 0 HA ARG A 69 -7.470 5.007 8.866 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -6.437 2.984 7.704 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -5.574 4.106 6.670 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -4.057 3.392 8.389 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -4.454 5.068 8.708 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -6.093 4.370 10.448 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -5.757 2.684 10.107 1.00 0.00 H new ATOM 0 HE ARG A 69 -3.279 4.000 10.694 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -6.236 2.950 12.360 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -5.421 2.782 13.919 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -2.259 3.770 12.686 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -3.176 3.245 14.102 1.00 0.00 H new ATOM 1067 N LYS A 70 -6.110 7.141 8.479 1.00 0.00 N ATOM 1068 CA LYS A 70 -5.503 8.458 8.266 1.00 0.00 C ATOM 1069 C LYS A 70 -4.441 8.353 7.168 1.00 0.00 C ATOM 1070 O LYS A 70 -3.701 7.367 7.108 1.00 0.00 O ATOM 1071 CB LYS A 70 -4.920 8.970 9.600 1.00 0.00 C ATOM 1072 CG LYS A 70 -4.253 10.356 9.556 1.00 0.00 C ATOM 1073 CD LYS A 70 -5.200 11.498 9.146 1.00 0.00 C ATOM 1074 CE LYS A 70 -4.526 12.881 9.209 1.00 0.00 C ATOM 1075 NZ LYS A 70 -4.264 13.345 10.599 1.00 0.00 N ATOM 0 H LYS A 70 -6.036 6.806 9.439 1.00 0.00 H new ATOM 0 HA LYS A 70 -6.249 9.180 7.934 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -5.722 8.998 10.337 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -4.186 8.246 9.955 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.838 10.578 10.539 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.417 10.323 8.857 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -5.560 11.320 8.133 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -6.072 11.493 9.800 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -3.584 12.844 8.662 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -5.160 13.610 8.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -3.810 14.280 10.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -5.163 13.411 11.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -3.636 12.669 11.078 1.00 0.00 H new ATOM 1089 N GLU A 71 -4.360 9.387 6.321 1.00 0.00 N ATOM 1090 CA GLU A 71 -3.479 9.443 5.152 1.00 0.00 C ATOM 1091 C GLU A 71 -3.733 8.246 4.207 1.00 0.00 C ATOM 1092 O GLU A 71 -2.810 7.667 3.631 1.00 0.00 O ATOM 1093 CB GLU A 71 -2.011 9.655 5.591 1.00 0.00 C ATOM 1094 CG GLU A 71 -1.252 10.696 4.749 1.00 0.00 C ATOM 1095 CD GLU A 71 -1.147 10.359 3.248 1.00 0.00 C ATOM 1096 OE1 GLU A 71 -2.120 10.624 2.501 1.00 0.00 O ATOM 1097 OE2 GLU A 71 -0.067 9.898 2.799 1.00 0.00 O ATOM 0 H GLU A 71 -4.922 10.230 6.435 1.00 0.00 H new ATOM 0 HA GLU A 71 -3.716 10.316 4.544 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -1.996 9.966 6.636 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -1.484 8.702 5.535 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -1.747 11.661 4.857 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -0.246 10.807 5.154 1.00 0.00 H new ATOM 1104 N GLY A 72 -5.007 7.846 4.072 1.00 0.00 N ATOM 1105 CA GLY A 72 -5.445 6.705 3.265 1.00 0.00 C ATOM 1106 C GLY A 72 -5.654 7.046 1.793 1.00 0.00 C ATOM 1107 O GLY A 72 -6.420 6.373 1.100 1.00 0.00 O ATOM 0 H GLY A 72 -5.780 8.323 4.536 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -4.705 5.909 3.344 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -6.377 6.316 3.676 1.00 0.00 H new ATOM 1111 N ILE A 73 -5.026 8.121 1.322 1.00 0.00 N ATOM 1112 CA ILE A 73 -5.084 8.554 -0.059 1.00 0.00 C ATOM 1113 C ILE A 73 -4.332 7.550 -0.940 1.00 0.00 C ATOM 1114 O ILE A 73 -3.216 7.135 -0.611 1.00 0.00 O ATOM 1115 CB ILE A 73 -4.527 9.987 -0.193 1.00 0.00 C ATOM 1116 CG1 ILE A 73 -5.356 11.026 0.605 1.00 0.00 C ATOM 1117 CG2 ILE A 73 -4.418 10.408 -1.667 1.00 0.00 C ATOM 1118 CD1 ILE A 73 -6.686 11.416 -0.042 1.00 0.00 C ATOM 0 H ILE A 73 -4.451 8.725 1.910 1.00 0.00 H new ATOM 0 HA ILE A 73 -6.120 8.583 -0.398 1.00 0.00 H new ATOM 0 HB ILE A 73 -3.527 9.968 0.241 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.555 10.626 1.599 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -4.755 11.925 0.738 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.023 11.422 -1.728 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.749 9.726 -2.192 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -5.405 10.375 -2.129 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -7.196 12.146 0.586 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.499 11.850 -1.024 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -7.312 10.530 -0.150 1.00 0.00 H new ATOM 1130 N ILE A 74 -4.919 7.217 -2.092 1.00 0.00 N ATOM 1131 CA ILE A 74 -4.291 6.463 -3.160 1.00 0.00 C ATOM 1132 C ILE A 74 -3.964 7.518 -4.213 1.00 0.00 C ATOM 1133 O ILE A 74 -4.883 8.170 -4.711 1.00 0.00 O ATOM 1134 CB ILE A 74 -5.252 5.364 -3.667 1.00 0.00 C ATOM 1135 CG1 ILE A 74 -5.700 4.425 -2.525 1.00 0.00 C ATOM 1136 CG2 ILE A 74 -4.632 4.561 -4.826 1.00 0.00 C ATOM 1137 CD1 ILE A 74 -4.581 3.653 -1.809 1.00 0.00 C ATOM 0 H ILE A 74 -5.881 7.479 -2.307 1.00 0.00 H new ATOM 0 HA ILE A 74 -3.391 5.927 -2.858 1.00 0.00 H new ATOM 0 HB ILE A 74 -6.140 5.869 -4.048 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -6.237 5.017 -1.784 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -6.409 3.704 -2.931 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -5.336 3.797 -5.157 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -4.409 5.232 -5.655 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -3.712 4.084 -4.487 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -5.013 3.027 -1.028 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -4.055 3.025 -2.528 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -3.880 4.359 -1.363 1.00 0.00 H new ATOM 1149 N HIS A 75 -2.688 7.729 -4.528 1.00 0.00 N ATOM 1150 CA HIS A 75 -2.296 8.614 -5.618 1.00 0.00 C ATOM 1151 C HIS A 75 -2.163 7.768 -6.882 1.00 0.00 C ATOM 1152 O HIS A 75 -1.429 6.777 -6.882 1.00 0.00 O ATOM 1153 CB HIS A 75 -0.994 9.361 -5.286 1.00 0.00 C ATOM 1154 CG HIS A 75 -1.165 10.389 -4.196 1.00 0.00 C ATOM 1155 ND1 HIS A 75 -0.913 10.219 -2.852 1.00 0.00 N ATOM 1156 CD2 HIS A 75 -1.615 11.670 -4.362 1.00 0.00 C ATOM 1157 CE1 HIS A 75 -1.203 11.376 -2.231 1.00 0.00 C ATOM 1158 NE2 HIS A 75 -1.640 12.292 -3.111 1.00 0.00 N ATOM 0 H HIS A 75 -1.905 7.295 -4.039 1.00 0.00 H new ATOM 0 HA HIS A 75 -3.053 9.383 -5.773 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -0.236 8.640 -4.982 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -0.624 9.852 -6.186 1.00 0.00 H new ATOM 0 HD1 HIS A 75 -0.568 9.368 -2.408 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -1.902 12.123 -5.299 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -1.099 11.546 -1.170 1.00 0.00 H new ATOM 1166 N THR A 76 -2.828 8.177 -7.959 1.00 0.00 N ATOM 1167 CA THR A 76 -2.737 7.551 -9.271 1.00 0.00 C ATOM 1168 C THR A 76 -2.561 8.646 -10.309 1.00 0.00 C ATOM 1169 O THR A 76 -3.172 9.701 -10.167 1.00 0.00 O ATOM 1170 CB THR A 76 -4.011 6.743 -9.584 1.00 0.00 C ATOM 1171 OG1 THR A 76 -4.491 6.048 -8.443 1.00 0.00 O ATOM 1172 CG2 THR A 76 -3.752 5.724 -10.694 1.00 0.00 C ATOM 0 H THR A 76 -3.462 8.976 -7.941 1.00 0.00 H new ATOM 0 HA THR A 76 -1.890 6.865 -9.287 1.00 0.00 H new ATOM 0 HB THR A 76 -4.763 7.464 -9.905 1.00 0.00 H new ATOM 0 HG1 THR A 76 -5.300 5.549 -8.680 1.00 0.00 H new ATOM 0 HG21 THR A 76 -4.666 5.166 -10.897 1.00 0.00 H new ATOM 0 HG22 THR A 76 -3.436 6.244 -11.599 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.969 5.034 -10.379 1.00 0.00 H new ATOM 1180 N LEU A 77 -1.783 8.405 -11.363 1.00 0.00 N ATOM 1181 CA LEU A 77 -1.734 9.301 -12.506 1.00 0.00 C ATOM 1182 C LEU A 77 -2.726 8.772 -13.532 1.00 0.00 C ATOM 1183 O LEU A 77 -2.691 7.591 -13.864 1.00 0.00 O ATOM 1184 CB LEU A 77 -0.304 9.383 -13.050 1.00 0.00 C ATOM 1185 CG LEU A 77 -0.182 10.215 -14.335 1.00 0.00 C ATOM 1186 CD1 LEU A 77 -0.539 11.684 -14.099 1.00 0.00 C ATOM 1187 CD2 LEU A 77 1.249 10.129 -14.861 1.00 0.00 C ATOM 0 H LEU A 77 -1.176 7.589 -11.444 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.011 10.320 -12.235 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.343 9.814 -12.285 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.060 8.374 -13.244 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.884 9.808 -15.062 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.440 12.237 -15.033 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.566 11.756 -13.742 1.00 0.00 H new ATOM 0 HD13 LEU A 77 0.134 12.107 -13.354 1.00 0.00 H new ATOM 0 HD21 LEU A 77 1.337 10.719 -15.773 1.00 0.00 H new ATOM 0 HD22 LEU A 77 1.937 10.517 -14.110 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.496 9.089 -15.076 1.00 0.00 H new ATOM 1199 N ILE A 78 -3.601 9.628 -14.037 1.00 0.00 N ATOM 1200 CA ILE A 78 -4.471 9.368 -15.165 1.00 0.00 C ATOM 1201 C ILE A 78 -3.945 10.251 -16.299 1.00 0.00 C ATOM 1202 O ILE A 78 -3.552 11.396 -16.058 1.00 0.00 O ATOM 1203 CB ILE A 78 -5.941 9.662 -14.776 1.00 0.00 C ATOM 1204 CG1 ILE A 78 -6.641 8.476 -14.077 1.00 0.00 C ATOM 1205 CG2 ILE A 78 -6.791 10.056 -15.990 1.00 0.00 C ATOM 1206 CD1 ILE A 78 -5.999 8.067 -12.755 1.00 0.00 C ATOM 0 H ILE A 78 -3.727 10.564 -13.652 1.00 0.00 H new ATOM 0 HA ILE A 78 -4.466 8.326 -15.484 1.00 0.00 H new ATOM 0 HB ILE A 78 -5.872 10.494 -14.075 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -7.684 8.738 -13.897 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -6.639 7.619 -14.750 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -7.814 10.253 -15.669 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -6.376 10.953 -16.449 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -6.788 9.243 -16.715 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -6.549 7.228 -12.328 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -4.964 7.772 -12.929 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -6.025 8.908 -12.062 1.00 0.00 H new ATOM 1218 N VAL A 79 -3.966 9.756 -17.535 1.00 0.00 N ATOM 1219 CA VAL A 79 -3.636 10.501 -18.737 1.00 0.00 C ATOM 1220 C VAL A 79 -4.660 10.145 -19.801 1.00 0.00 C ATOM 1221 O VAL A 79 -4.959 8.967 -19.999 1.00 0.00 O ATOM 1222 CB VAL A 79 -2.194 10.210 -19.187 1.00 0.00 C ATOM 1223 CG1 VAL A 79 -1.781 11.041 -20.409 1.00 0.00 C ATOM 1224 CG2 VAL A 79 -1.208 10.490 -18.047 1.00 0.00 C ATOM 0 H VAL A 79 -4.224 8.788 -17.728 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.677 11.574 -18.548 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.165 9.156 -19.464 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -0.755 10.797 -20.685 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -2.445 10.815 -21.244 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -1.849 12.102 -20.168 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -0.193 10.279 -18.384 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -1.282 11.536 -17.751 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -1.447 9.854 -17.195 1.00 0.00 H new ATOM 1234 N ASP A 80 -5.216 11.166 -20.461 1.00 0.00 N ATOM 1235 CA ASP A 80 -6.266 11.046 -21.478 1.00 0.00 C ATOM 1236 C ASP A 80 -7.378 10.077 -21.036 1.00 0.00 C ATOM 1237 O ASP A 80 -7.849 9.226 -21.793 1.00 0.00 O ATOM 1238 CB ASP A 80 -5.650 10.759 -22.858 1.00 0.00 C ATOM 1239 CG ASP A 80 -6.663 10.899 -24.011 1.00 0.00 C ATOM 1240 OD1 ASP A 80 -7.599 11.730 -23.934 1.00 0.00 O ATOM 1241 OD2 ASP A 80 -6.488 10.192 -25.037 1.00 0.00 O ATOM 0 H ASP A 80 -4.937 12.133 -20.296 1.00 0.00 H new ATOM 0 HA ASP A 80 -6.779 12.002 -21.586 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -4.818 11.443 -23.028 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -5.239 9.749 -22.863 1.00 0.00 H new ATOM 1246 N ASN A 81 -7.759 10.197 -19.755 1.00 0.00 N ATOM 1247 CA ASN A 81 -8.779 9.415 -19.044 1.00 0.00 C ATOM 1248 C ASN A 81 -8.484 7.907 -18.873 1.00 0.00 C ATOM 1249 O ASN A 81 -9.396 7.139 -18.560 1.00 0.00 O ATOM 1250 CB ASN A 81 -10.189 9.711 -19.596 1.00 0.00 C ATOM 1251 CG ASN A 81 -11.302 9.331 -18.617 1.00 0.00 C ATOM 1252 OD1 ASN A 81 -11.165 9.469 -17.403 1.00 0.00 O ATOM 1253 ND2 ASN A 81 -12.450 8.890 -19.118 1.00 0.00 N ATOM 0 H ASN A 81 -7.330 10.894 -19.146 1.00 0.00 H new ATOM 0 HA ASN A 81 -8.739 9.769 -18.014 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -10.266 10.772 -19.832 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -10.331 9.166 -20.529 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -13.225 8.663 -18.495 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -12.557 8.778 -20.126 1.00 0.00 H new ATOM 1260 N ARG A 82 -7.231 7.457 -19.044 1.00 0.00 N ATOM 1261 CA ARG A 82 -6.777 6.109 -18.700 1.00 0.00 C ATOM 1262 C ARG A 82 -5.764 6.147 -17.564 1.00 0.00 C ATOM 1263 O ARG A 82 -5.070 7.143 -17.370 1.00 0.00 O ATOM 1264 CB ARG A 82 -6.229 5.366 -19.930 1.00 0.00 C ATOM 1265 CG ARG A 82 -7.391 4.887 -20.812 1.00 0.00 C ATOM 1266 CD ARG A 82 -7.649 5.767 -22.033 1.00 0.00 C ATOM 1267 NE ARG A 82 -6.595 5.627 -23.059 1.00 0.00 N ATOM 1268 CZ ARG A 82 -6.317 6.534 -24.004 1.00 0.00 C ATOM 1269 NH1 ARG A 82 -6.929 7.710 -23.988 1.00 0.00 N ATOM 1270 NH2 ARG A 82 -5.433 6.265 -24.959 1.00 0.00 N ATOM 0 H ARG A 82 -6.490 8.039 -19.436 1.00 0.00 H new ATOM 0 HA ARG A 82 -7.642 5.546 -18.349 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -5.575 6.024 -20.502 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -5.627 4.515 -19.613 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -7.184 3.871 -21.147 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -8.298 4.845 -20.209 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -8.614 5.506 -22.469 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -7.712 6.809 -21.720 1.00 0.00 H new ATOM 0 HE ARG A 82 -6.036 4.774 -23.046 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -7.609 7.921 -23.258 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -6.720 8.404 -24.706 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -4.960 5.361 -24.976 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -5.228 6.962 -25.675 1.00 0.00 H new ATOM 1284 N GLU A 83 -5.710 5.062 -16.803 1.00 0.00 N ATOM 1285 CA GLU A 83 -4.935 4.947 -15.579 1.00 0.00 C ATOM 1286 C GLU A 83 -3.494 4.529 -15.888 1.00 0.00 C ATOM 1287 O GLU A 83 -3.272 3.645 -16.720 1.00 0.00 O ATOM 1288 CB GLU A 83 -5.671 3.967 -14.653 1.00 0.00 C ATOM 1289 CG GLU A 83 -4.882 3.615 -13.394 1.00 0.00 C ATOM 1290 CD GLU A 83 -5.709 2.734 -12.439 1.00 0.00 C ATOM 1291 OE1 GLU A 83 -6.635 3.251 -11.770 1.00 0.00 O ATOM 1292 OE2 GLU A 83 -5.438 1.510 -12.356 1.00 0.00 O ATOM 0 H GLU A 83 -6.223 4.210 -17.030 1.00 0.00 H new ATOM 0 HA GLU A 83 -4.852 5.907 -15.070 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -6.628 4.401 -14.364 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -5.889 3.052 -15.204 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -3.966 3.093 -13.671 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -4.585 4.530 -12.882 1.00 0.00 H new ATOM 1299 N ILE A 84 -2.528 5.138 -15.191 1.00 0.00 N ATOM 1300 CA ILE A 84 -1.093 4.916 -15.331 1.00 0.00 C ATOM 1301 C ILE A 84 -0.591 4.393 -13.972 1.00 0.00 C ATOM 1302 O ILE A 84 -0.715 5.112 -12.975 1.00 0.00 O ATOM 1303 CB ILE A 84 -0.396 6.237 -15.760 1.00 0.00 C ATOM 1304 CG1 ILE A 84 -1.046 6.921 -16.985 1.00 0.00 C ATOM 1305 CG2 ILE A 84 1.113 6.045 -15.992 1.00 0.00 C ATOM 1306 CD1 ILE A 84 -1.120 6.083 -18.264 1.00 0.00 C ATOM 0 H ILE A 84 -2.743 5.835 -14.478 1.00 0.00 H new ATOM 0 HA ILE A 84 -0.862 4.185 -16.106 1.00 0.00 H new ATOM 0 HB ILE A 84 -0.538 6.911 -14.915 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -2.058 7.222 -16.713 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.490 7.833 -17.204 1.00 0.00 H new ATOM 0 HG21 ILE A 84 1.559 6.994 -16.290 1.00 0.00 H new ATOM 0 HG22 ILE A 84 1.581 5.697 -15.071 1.00 0.00 H new ATOM 0 HG23 ILE A 84 1.269 5.307 -16.779 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -1.594 6.666 -19.054 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -0.113 5.803 -18.574 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -1.705 5.183 -18.076 1.00 0.00 H new ATOM 1318 N PRO A 85 -0.034 3.169 -13.887 1.00 0.00 N ATOM 1319 CA PRO A 85 0.499 2.626 -12.641 1.00 0.00 C ATOM 1320 C PRO A 85 1.859 3.256 -12.303 1.00 0.00 C ATOM 1321 O PRO A 85 2.615 3.638 -13.204 1.00 0.00 O ATOM 1322 CB PRO A 85 0.608 1.116 -12.874 1.00 0.00 C ATOM 1323 CG PRO A 85 0.888 1.018 -14.374 1.00 0.00 C ATOM 1324 CD PRO A 85 0.092 2.187 -14.959 1.00 0.00 C ATOM 0 HA PRO A 85 -0.143 2.847 -11.788 1.00 0.00 H new ATOM 0 HB2 PRO A 85 1.411 0.674 -12.284 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -0.311 0.598 -12.600 1.00 0.00 H new ATOM 0 HG2 PRO A 85 1.952 1.108 -14.591 1.00 0.00 H new ATOM 0 HG3 PRO A 85 0.559 0.063 -14.783 1.00 0.00 H new ATOM 0 HD2 PRO A 85 0.604 2.615 -15.821 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -0.889 1.857 -15.303 1.00 0.00 H new ATOM 1332 N GLU A 86 2.177 3.354 -11.008 1.00 0.00 N ATOM 1333 CA GLU A 86 3.490 3.785 -10.527 1.00 0.00 C ATOM 1334 C GLU A 86 4.594 2.883 -11.101 1.00 0.00 C ATOM 1335 O GLU A 86 4.353 1.728 -11.476 1.00 0.00 O ATOM 1336 CB GLU A 86 3.551 3.750 -8.992 1.00 0.00 C ATOM 1337 CG GLU A 86 3.339 5.150 -8.422 1.00 0.00 C ATOM 1338 CD GLU A 86 3.705 5.187 -6.935 1.00 0.00 C ATOM 1339 OE1 GLU A 86 4.904 5.357 -6.610 1.00 0.00 O ATOM 1340 OE2 GLU A 86 2.791 5.098 -6.081 1.00 0.00 O ATOM 0 H GLU A 86 1.522 3.134 -10.258 1.00 0.00 H new ATOM 0 HA GLU A 86 3.648 4.810 -10.863 1.00 0.00 H new ATOM 0 HB2 GLU A 86 2.788 3.073 -8.606 1.00 0.00 H new ATOM 0 HB3 GLU A 86 4.516 3.360 -8.668 1.00 0.00 H new ATOM 0 HG2 GLU A 86 3.949 5.868 -8.970 1.00 0.00 H new ATOM 0 HG3 GLU A 86 2.299 5.449 -8.554 1.00 0.00 H new ATOM 1347 N ILE A 87 5.817 3.413 -11.125 1.00 0.00 N ATOM 1348 CA ILE A 87 7.000 2.684 -11.566 1.00 0.00 C ATOM 1349 C ILE A 87 7.246 1.437 -10.709 1.00 0.00 C ATOM 1350 O ILE A 87 6.875 1.380 -9.530 1.00 0.00 O ATOM 1351 CB ILE A 87 8.246 3.596 -11.568 1.00 0.00 C ATOM 1352 CG1 ILE A 87 8.529 4.248 -10.201 1.00 0.00 C ATOM 1353 CG2 ILE A 87 8.134 4.612 -12.714 1.00 0.00 C ATOM 1354 CD1 ILE A 87 9.947 4.827 -10.099 1.00 0.00 C ATOM 0 H ILE A 87 6.013 4.371 -10.835 1.00 0.00 H new ATOM 0 HA ILE A 87 6.815 2.355 -12.588 1.00 0.00 H new ATOM 0 HB ILE A 87 9.123 2.974 -11.747 1.00 0.00 H new ATOM 0 HG12 ILE A 87 7.804 5.043 -10.026 1.00 0.00 H new ATOM 0 HG13 ILE A 87 8.387 3.507 -9.414 1.00 0.00 H new ATOM 0 HG21 ILE A 87 9.013 5.256 -12.716 1.00 0.00 H new ATOM 0 HG22 ILE A 87 8.070 4.083 -13.665 1.00 0.00 H new ATOM 0 HG23 ILE A 87 7.239 5.219 -12.576 1.00 0.00 H new ATOM 0 HD11 ILE A 87 10.088 5.273 -9.114 1.00 0.00 H new ATOM 0 HD12 ILE A 87 10.677 4.030 -10.245 1.00 0.00 H new ATOM 0 HD13 ILE A 87 10.085 5.590 -10.866 1.00 0.00 H new ATOM 1366 N ALA A 88 7.923 0.454 -11.312 1.00 0.00 N ATOM 1367 CA ALA A 88 8.440 -0.700 -10.602 1.00 0.00 C ATOM 1368 C ALA A 88 9.850 -0.347 -10.132 1.00 0.00 C ATOM 1369 O ALA A 88 10.821 -0.473 -10.888 1.00 0.00 O ATOM 1370 CB ALA A 88 8.419 -1.944 -11.487 1.00 0.00 C ATOM 0 H ALA A 88 8.124 0.445 -12.312 1.00 0.00 H new ATOM 0 HA ALA A 88 7.815 -0.940 -9.741 1.00 0.00 H new ATOM 0 HB1 ALA A 88 8.812 -2.794 -10.929 1.00 0.00 H new ATOM 0 HB2 ALA A 88 7.395 -2.154 -11.795 1.00 0.00 H new ATOM 0 HB3 ALA A 88 9.035 -1.773 -12.370 1.00 0.00 H new ATOM 1376 N SER A 89 9.942 0.144 -8.900 1.00 0.00 N ATOM 1377 CA SER A 89 11.211 0.440 -8.252 1.00 0.00 C ATOM 1378 C SER A 89 12.004 -0.856 -8.040 1.00 0.00 C ATOM 1379 O SER A 89 11.395 -1.888 -7.668 1.00 0.00 O ATOM 1380 CB SER A 89 10.978 1.167 -6.922 1.00 0.00 C ATOM 1381 OG SER A 89 10.114 2.288 -7.098 1.00 0.00 O ATOM 1382 OXT SER A 89 13.240 -0.838 -8.237 1.00 0.00 O ATOM 0 H SER A 89 9.129 0.349 -8.320 1.00 0.00 H new ATOM 0 HA SER A 89 11.793 1.099 -8.895 1.00 0.00 H new ATOM 0 HB2 SER A 89 10.543 0.478 -6.198 1.00 0.00 H new ATOM 0 HB3 SER A 89 11.932 1.499 -6.513 1.00 0.00 H new ATOM 0 HG SER A 89 9.978 2.735 -6.236 1.00 0.00 H new TER 1388 SER A 89