USER MOD reduce.3.24.130724 H: found=0, std=0, add=707, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 708 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 649 GLN :FLIP amide:sc= -0.15 F(o=-14!,f=-12) USER MOD Set 1.2: A 661 CYS SG : rot -48:sc= -7.25! USER MOD Set 1.3: A 702 MET CE :methyl -130:sc= -4.78! (180deg=-11!) USER MOD Set 2.1: A 699 ASN : amide:sc= -0.222 X(o=-0.22,f=0.0031) USER MOD Set 2.2: A 700 SER OG : rot 79:sc= 0.00315 USER MOD Set 3.1: A 660 GLN : amide:sc= 0.986 K(o=1.8,f=0.96) USER MOD Set 3.2: A 701 TYR OH : rot 130:sc= 0.831 USER MOD Single : A 625 SER OG : rot 21:sc= 0.392 USER MOD Single : A 626 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 630 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 631 ASN :FLIP amide:sc= -0.0396 F(o=-1.3!,f=-0.04) USER MOD Single : A 633 ASN :FLIP amide:sc= -3.84! C(o=-4.7!,f=-3.8!) USER MOD Single : A 634 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 638 SER OG : rot 58:sc= 0.311 USER MOD Single : A 642 ASN : amide:sc= 0.342 X(o=0.34,f=-0.00054) USER MOD Single : A 645 LYS NZ :NH3+ 168:sc= -0.016 (180deg=-0.186) USER MOD Single : A 646 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 647 ASN : amide:sc= -4.89! C(o=-4.9!,f=-8.6!) USER MOD Single : A 650 SER OG : rot -35:sc= -0.6 USER MOD Single : A 651 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 652 GLN : amide:sc= -0.0194 K(o=-0.019,f=-1) USER MOD Single : A 655 HIS : no HE2:sc= 0.569 K(o=0.57,f=-6!) USER MOD Single : A 657 ASN : amide:sc= -6.16! C(o=-6.2!,f=-21!) USER MOD Single : A 659 LYS NZ :NH3+ 162:sc= -0.502 (180deg=-1.16) USER MOD Single : A 663 LYS NZ :NH3+ 178:sc= 0.949 (180deg=0.899) USER MOD Single : A 667 LYS NZ :NH3+ 150:sc= 0.704 (180deg=0.513) USER MOD Single : A 670 THR OG1 : rot 87:sc= 0.894 USER MOD Single : A 671 THR OG1 : rot -34:sc= 1.19 USER MOD Single : A 672 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0457) USER MOD Single : A 675 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 676 LYS NZ :NH3+ -167:sc= -0.0399 (180deg=-0.315) USER MOD Single : A 678 SER OG : rot 180:sc= 0.00175 USER MOD Single : A 679 SER OG : rot 180:sc= -0.0172 USER MOD Single : A 687 THR OG1 : rot 180:sc= 0.072 USER MOD Single : A 688 LYS NZ :NH3+ -171:sc=-0.00493 (180deg=-0.119) USER MOD Single : A 690 LYS NZ :NH3+ -130:sc= 0.636 (180deg=-1.64!) USER MOD Single : A 692 HIS : no HD1:sc= 0.905 K(o=0.9,f=-3.7!) USER MOD Single : A 693 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 695 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 704 LYS NZ :NH3+ 169:sc=-0.00967 (180deg=-0.141) USER MOD ----------------------------------------------------------------- ATOM 45 N SER A 625 18.132 7.043 -0.682 1.00 0.89 N ATOM 46 CA SER A 625 16.914 6.648 0.013 1.00 0.85 C ATOM 47 C SER A 625 15.665 6.914 -0.831 1.00 0.73 C ATOM 48 O SER A 625 14.659 6.218 -0.697 1.00 0.72 O ATOM 49 CB SER A 625 16.823 7.395 1.340 1.00 1.01 C ATOM 50 OG SER A 625 18.085 7.422 1.985 1.00 1.35 O ATOM 0 HA SER A 625 16.959 5.574 0.195 1.00 0.85 H new ATOM 0 HB2 SER A 625 16.475 8.413 1.167 1.00 1.01 H new ATOM 0 HB3 SER A 625 16.089 6.913 1.985 1.00 1.01 H new ATOM 0 HG SER A 625 18.792 7.259 1.327 1.00 1.35 H new ATOM 56 N GLN A 626 15.730 7.917 -1.702 1.00 0.72 N ATOM 57 CA GLN A 626 14.592 8.256 -2.548 1.00 0.71 C ATOM 58 C GLN A 626 14.425 7.214 -3.647 1.00 0.60 C ATOM 59 O GLN A 626 13.309 6.808 -3.972 1.00 0.65 O ATOM 60 CB GLN A 626 14.762 9.646 -3.161 1.00 0.81 C ATOM 61 CG GLN A 626 13.556 10.096 -3.967 1.00 1.52 C ATOM 62 CD GLN A 626 13.713 11.495 -4.519 1.00 1.83 C ATOM 63 OE1 GLN A 626 14.215 11.688 -5.628 1.00 2.34 O ATOM 64 NE2 GLN A 626 13.281 12.479 -3.751 1.00 2.37 N ATOM 0 H GLN A 626 16.552 8.505 -1.839 1.00 0.72 H new ATOM 0 HA GLN A 626 13.696 8.264 -1.927 1.00 0.71 H new ATOM 0 HB2 GLN A 626 14.948 10.367 -2.365 1.00 0.81 H new ATOM 0 HB3 GLN A 626 15.642 9.647 -3.804 1.00 0.81 H new ATOM 0 HG2 GLN A 626 13.394 9.401 -4.791 1.00 1.52 H new ATOM 0 HG3 GLN A 626 12.667 10.056 -3.337 1.00 1.52 H new ATOM 0 HE21 GLN A 626 12.872 12.273 -2.840 1.00 2.37 H new ATOM 0 HE22 GLN A 626 13.356 13.445 -4.069 1.00 2.37 H new ATOM 73 N ARG A 627 15.547 6.780 -4.210 1.00 0.56 N ATOM 74 CA ARG A 627 15.541 5.721 -5.211 1.00 0.52 C ATOM 75 C ARG A 627 15.263 4.378 -4.546 1.00 0.40 C ATOM 76 O ARG A 627 14.680 3.476 -5.149 1.00 0.40 O ATOM 77 CB ARG A 627 16.880 5.675 -5.951 1.00 0.66 C ATOM 78 CG ARG A 627 17.188 6.930 -6.752 1.00 1.31 C ATOM 79 CD ARG A 627 18.549 6.841 -7.427 1.00 1.53 C ATOM 80 NE ARG A 627 18.639 5.698 -8.336 1.00 2.41 N ATOM 81 CZ ARG A 627 19.769 5.045 -8.609 1.00 2.91 C ATOM 82 NH1 ARG A 627 20.917 5.436 -8.068 1.00 2.66 N ATOM 83 NH2 ARG A 627 19.744 4.010 -9.436 1.00 4.02 N ATOM 0 H ARG A 627 16.473 7.146 -3.990 1.00 0.56 H new ATOM 0 HA ARG A 627 14.753 5.930 -5.935 1.00 0.52 H new ATOM 0 HB2 ARG A 627 17.678 5.514 -5.227 1.00 0.66 H new ATOM 0 HB3 ARG A 627 16.882 4.817 -6.624 1.00 0.66 H new ATOM 0 HG2 ARG A 627 16.416 7.080 -7.506 1.00 1.31 H new ATOM 0 HG3 ARG A 627 17.163 7.798 -6.094 1.00 1.31 H new ATOM 0 HD2 ARG A 627 18.739 7.760 -7.981 1.00 1.53 H new ATOM 0 HD3 ARG A 627 19.326 6.761 -6.667 1.00 1.53 H new ATOM 0 HE ARG A 627 17.783 5.380 -8.790 1.00 2.41 H new ATOM 0 HH11 ARG A 627 20.937 6.240 -7.440 1.00 2.66 H new ATOM 0 HH12 ARG A 627 21.778 4.933 -8.280 1.00 2.66 H new ATOM 0 HH21 ARG A 627 18.864 3.717 -9.860 1.00 4.02 H new ATOM 0 HH22 ARG A 627 20.605 3.506 -9.649 1.00 4.02 H new ATOM 97 N LEU A 628 15.683 4.268 -3.292 1.00 0.38 N ATOM 98 CA LEU A 628 15.466 3.070 -2.491 1.00 0.36 C ATOM 99 C LEU A 628 13.972 2.791 -2.343 1.00 0.27 C ATOM 100 O LEU A 628 13.545 1.636 -2.385 1.00 0.29 O ATOM 101 CB LEU A 628 16.141 3.246 -1.120 1.00 0.49 C ATOM 102 CG LEU A 628 16.204 2.009 -0.214 1.00 0.62 C ATOM 103 CD1 LEU A 628 14.923 1.836 0.574 1.00 1.13 C ATOM 104 CD2 LEU A 628 16.511 0.760 -1.026 1.00 1.48 C ATOM 0 H LEU A 628 16.184 5.008 -2.801 1.00 0.38 H new ATOM 0 HA LEU A 628 15.912 2.210 -2.991 1.00 0.36 H new ATOM 0 HB2 LEU A 628 17.159 3.597 -1.286 1.00 0.49 H new ATOM 0 HB3 LEU A 628 15.615 4.035 -0.582 1.00 0.49 H new ATOM 0 HG LEU A 628 17.014 2.162 0.499 1.00 0.62 H new ATOM 0 HD11 LEU A 628 15.001 0.951 1.205 1.00 1.13 H new ATOM 0 HD12 LEU A 628 14.759 2.714 1.199 1.00 1.13 H new ATOM 0 HD13 LEU A 628 14.086 1.718 -0.114 1.00 1.13 H new ATOM 0 HD21 LEU A 628 16.551 -0.104 -0.363 1.00 1.48 H new ATOM 0 HD22 LEU A 628 15.730 0.610 -1.772 1.00 1.48 H new ATOM 0 HD23 LEU A 628 17.472 0.878 -1.526 1.00 1.48 H new ATOM 116 N GLU A 629 13.179 3.849 -2.196 1.00 0.29 N ATOM 117 CA GLU A 629 11.730 3.702 -2.119 1.00 0.34 C ATOM 118 C GLU A 629 11.180 3.106 -3.409 1.00 0.30 C ATOM 119 O GLU A 629 10.214 2.364 -3.382 1.00 0.33 O ATOM 120 CB GLU A 629 11.042 5.040 -1.834 1.00 0.50 C ATOM 121 CG GLU A 629 11.240 5.549 -0.416 1.00 0.68 C ATOM 122 CD GLU A 629 10.399 6.775 -0.121 1.00 0.94 C ATOM 123 OE1 GLU A 629 10.866 7.906 -0.381 1.00 1.03 O ATOM 124 OE2 GLU A 629 9.273 6.617 0.401 1.00 1.24 O ATOM 0 H GLU A 629 13.513 4.810 -2.128 1.00 0.29 H new ATOM 0 HA GLU A 629 11.517 3.025 -1.292 1.00 0.34 H new ATOM 0 HB2 GLU A 629 11.419 5.787 -2.533 1.00 0.50 H new ATOM 0 HB3 GLU A 629 9.974 4.935 -2.025 1.00 0.50 H new ATOM 0 HG2 GLU A 629 10.986 4.758 0.290 1.00 0.68 H new ATOM 0 HG3 GLU A 629 12.292 5.788 -0.262 1.00 0.68 H new ATOM 131 N HIS A 630 11.811 3.425 -4.534 1.00 0.29 N ATOM 132 CA HIS A 630 11.387 2.893 -5.828 1.00 0.35 C ATOM 133 C HIS A 630 11.717 1.401 -5.927 1.00 0.27 C ATOM 134 O HIS A 630 10.985 0.637 -6.556 1.00 0.28 O ATOM 135 CB HIS A 630 12.037 3.670 -6.979 1.00 0.47 C ATOM 136 CG HIS A 630 11.554 3.259 -8.338 1.00 1.05 C ATOM 137 ND1 HIS A 630 10.334 3.643 -8.854 1.00 1.52 N ATOM 138 CD2 HIS A 630 12.138 2.495 -9.292 1.00 1.71 C ATOM 139 CE1 HIS A 630 10.189 3.131 -10.062 1.00 2.20 C ATOM 140 NE2 HIS A 630 11.270 2.432 -10.351 1.00 2.35 N ATOM 0 H HIS A 630 12.617 4.048 -4.578 1.00 0.29 H new ATOM 0 HA HIS A 630 10.307 3.014 -5.909 1.00 0.35 H new ATOM 0 HB2 HIS A 630 11.843 4.734 -6.842 1.00 0.47 H new ATOM 0 HB3 HIS A 630 13.117 3.534 -6.932 1.00 0.47 H new ATOM 0 HD2 HIS A 630 13.107 2.023 -9.230 1.00 1.71 H new ATOM 0 HE1 HIS A 630 9.331 3.262 -10.705 1.00 2.20 H new ATOM 0 HE2 HIS A 630 11.433 1.926 -11.222 1.00 2.35 H new ATOM 149 N ASN A 631 12.825 0.996 -5.315 1.00 0.23 N ATOM 150 CA ASN A 631 13.166 -0.423 -5.213 1.00 0.21 C ATOM 151 C ASN A 631 12.154 -1.118 -4.319 1.00 0.15 C ATOM 152 O ASN A 631 11.665 -2.205 -4.630 1.00 0.17 O ATOM 153 CB ASN A 631 14.582 -0.604 -4.652 1.00 0.25 C ATOM 154 CG ASN A 631 15.651 -0.156 -5.627 1.00 0.35 C ATOM 155 OD1 ASN A 631 15.421 -0.396 -6.909 1.00 0.59 O flip ATOM 156 ND2 ASN A 631 16.681 0.390 -5.233 1.00 0.77 N flip ATOM 0 H ASN A 631 13.501 1.626 -4.883 1.00 0.23 H new ATOM 0 HA ASN A 631 13.139 -0.867 -6.208 1.00 0.21 H new ATOM 0 HB2 ASN A 631 14.678 -0.037 -3.726 1.00 0.25 H new ATOM 0 HB3 ASN A 631 14.739 -1.653 -4.401 1.00 0.25 H new ATOM 0 HD21 ASN A 631 16.820 0.557 -4.237 1.00 0.77 H new ATOM 0 HD22 ASN A 631 17.395 0.675 -5.903 1.00 0.77 H new ATOM 163 N TRP A 632 11.834 -0.458 -3.216 1.00 0.15 N ATOM 164 CA TRP A 632 10.764 -0.889 -2.333 1.00 0.16 C ATOM 165 C TRP A 632 9.445 -1.006 -3.099 1.00 0.20 C ATOM 166 O TRP A 632 8.637 -1.897 -2.837 1.00 0.23 O ATOM 167 CB TRP A 632 10.614 0.112 -1.192 1.00 0.21 C ATOM 168 CG TRP A 632 11.164 -0.358 0.118 1.00 0.21 C ATOM 169 CD1 TRP A 632 12.286 0.083 0.753 1.00 0.24 C ATOM 170 CD2 TRP A 632 10.594 -1.356 0.961 1.00 0.21 C ATOM 171 NE1 TRP A 632 12.448 -0.586 1.943 1.00 0.25 N ATOM 172 CE2 TRP A 632 11.418 -1.476 2.093 1.00 0.23 C ATOM 173 CE3 TRP A 632 9.466 -2.159 0.861 1.00 0.24 C ATOM 174 CZ2 TRP A 632 11.137 -2.370 3.121 1.00 0.26 C ATOM 175 CZ3 TRP A 632 9.188 -3.045 1.878 1.00 0.29 C ATOM 176 CH2 TRP A 632 10.016 -3.144 2.992 1.00 0.29 C ATOM 0 H TRP A 632 12.309 0.391 -2.909 1.00 0.15 H new ATOM 0 HA TRP A 632 11.015 -1.870 -1.930 1.00 0.16 H new ATOM 0 HB2 TRP A 632 11.114 1.040 -1.470 1.00 0.21 H new ATOM 0 HB3 TRP A 632 9.557 0.345 -1.066 1.00 0.21 H new ATOM 0 HD1 TRP A 632 12.951 0.846 0.377 1.00 0.24 H new ATOM 0 HE1 TRP A 632 13.210 -0.443 2.605 1.00 0.25 H new ATOM 0 HE3 TRP A 632 8.817 -2.090 0.000 1.00 0.24 H new ATOM 0 HZ2 TRP A 632 11.778 -2.450 3.986 1.00 0.26 H new ATOM 0 HZ3 TRP A 632 8.312 -3.674 1.810 1.00 0.29 H new ATOM 0 HH2 TRP A 632 9.768 -3.848 3.773 1.00 0.29 H new ATOM 187 N ASN A 633 9.240 -0.097 -4.049 1.00 0.22 N ATOM 188 CA ASN A 633 8.033 -0.092 -4.865 1.00 0.29 C ATOM 189 C ASN A 633 7.913 -1.375 -5.671 1.00 0.29 C ATOM 190 O ASN A 633 6.847 -1.978 -5.723 1.00 0.33 O ATOM 191 CB ASN A 633 7.990 1.111 -5.818 1.00 0.36 C ATOM 192 CG ASN A 633 7.876 2.450 -5.107 1.00 0.41 C ATOM 193 OD1 ASN A 633 7.356 2.446 -3.890 1.00 0.47 O flip ATOM 194 ND2 ASN A 633 8.276 3.484 -5.643 1.00 0.42 N flip ATOM 0 H ASN A 633 9.899 0.649 -4.272 1.00 0.22 H new ATOM 0 HA ASN A 633 7.192 -0.017 -4.176 1.00 0.29 H new ATOM 0 HB2 ASN A 633 8.892 1.110 -6.431 1.00 0.36 H new ATOM 0 HB3 ASN A 633 7.144 0.996 -6.496 1.00 0.36 H new ATOM 0 HD21 ASN A 633 8.672 3.451 -6.583 1.00 0.42 H new ATOM 0 HD22 ASN A 633 8.212 4.373 -5.147 1.00 0.42 H new ATOM 201 N LYS A 634 9.011 -1.798 -6.288 1.00 0.30 N ATOM 202 CA LYS A 634 9.006 -3.009 -7.103 1.00 0.36 C ATOM 203 C LYS A 634 8.691 -4.236 -6.253 1.00 0.32 C ATOM 204 O LYS A 634 8.053 -5.182 -6.720 1.00 0.33 O ATOM 205 CB LYS A 634 10.346 -3.195 -7.819 1.00 0.46 C ATOM 206 CG LYS A 634 10.633 -2.124 -8.861 1.00 1.21 C ATOM 207 CD LYS A 634 11.811 -2.507 -9.746 1.00 1.61 C ATOM 208 CE LYS A 634 11.531 -3.791 -10.512 1.00 2.37 C ATOM 209 NZ LYS A 634 12.663 -4.179 -11.391 1.00 3.15 N ATOM 0 H LYS A 634 9.912 -1.323 -6.240 1.00 0.30 H new ATOM 0 HA LYS A 634 8.225 -2.897 -7.855 1.00 0.36 H new ATOM 0 HB2 LYS A 634 11.147 -3.195 -7.080 1.00 0.46 H new ATOM 0 HB3 LYS A 634 10.358 -4.172 -8.302 1.00 0.46 H new ATOM 0 HG2 LYS A 634 9.748 -1.969 -9.478 1.00 1.21 H new ATOM 0 HG3 LYS A 634 10.844 -1.178 -8.363 1.00 1.21 H new ATOM 0 HD2 LYS A 634 12.019 -1.700 -10.448 1.00 1.61 H new ATOM 0 HD3 LYS A 634 12.703 -2.634 -9.133 1.00 1.61 H new ATOM 0 HE2 LYS A 634 11.329 -4.596 -9.806 1.00 2.37 H new ATOM 0 HE3 LYS A 634 10.632 -3.663 -11.115 1.00 2.37 H new ATOM 0 HZ1 LYS A 634 12.427 -5.059 -11.893 1.00 3.15 H new ATOM 0 HZ2 LYS A 634 12.840 -3.423 -12.083 1.00 3.15 H new ATOM 0 HZ3 LYS A 634 13.516 -4.327 -10.814 1.00 3.15 H new ATOM 223 N PHE A 635 9.136 -4.208 -5.004 1.00 0.30 N ATOM 224 CA PHE A 635 8.826 -5.272 -4.056 1.00 0.30 C ATOM 225 C PHE A 635 7.314 -5.410 -3.864 1.00 0.27 C ATOM 226 O PHE A 635 6.746 -6.482 -4.088 1.00 0.27 O ATOM 227 CB PHE A 635 9.516 -4.998 -2.715 1.00 0.32 C ATOM 228 CG PHE A 635 9.075 -5.905 -1.600 1.00 0.32 C ATOM 229 CD1 PHE A 635 8.992 -7.275 -1.784 1.00 0.39 C ATOM 230 CD2 PHE A 635 8.743 -5.381 -0.363 1.00 0.33 C ATOM 231 CE1 PHE A 635 8.584 -8.101 -0.755 1.00 0.42 C ATOM 232 CE2 PHE A 635 8.336 -6.203 0.669 1.00 0.35 C ATOM 233 CZ PHE A 635 8.257 -7.564 0.474 1.00 0.37 C ATOM 0 H PHE A 635 9.714 -3.459 -4.622 1.00 0.30 H new ATOM 0 HA PHE A 635 9.200 -6.213 -4.459 1.00 0.30 H new ATOM 0 HB2 PHE A 635 10.593 -5.099 -2.846 1.00 0.32 H new ATOM 0 HB3 PHE A 635 9.325 -3.965 -2.425 1.00 0.32 H new ATOM 0 HD1 PHE A 635 9.249 -7.702 -2.742 1.00 0.39 H new ATOM 0 HD2 PHE A 635 8.803 -4.315 -0.203 1.00 0.33 H new ATOM 0 HE1 PHE A 635 8.521 -9.168 -0.912 1.00 0.42 H new ATOM 0 HE2 PHE A 635 8.080 -5.779 1.629 1.00 0.35 H new ATOM 0 HZ PHE A 635 7.940 -8.209 1.280 1.00 0.37 H new ATOM 243 N PHE A 636 6.657 -4.322 -3.477 1.00 0.26 N ATOM 244 CA PHE A 636 5.219 -4.350 -3.237 1.00 0.26 C ATOM 245 C PHE A 636 4.455 -4.564 -4.538 1.00 0.24 C ATOM 246 O PHE A 636 3.404 -5.204 -4.552 1.00 0.25 O ATOM 247 CB PHE A 636 4.765 -3.067 -2.537 1.00 0.28 C ATOM 248 CG PHE A 636 5.185 -3.017 -1.095 1.00 0.28 C ATOM 249 CD1 PHE A 636 4.937 -4.071 -0.230 1.00 0.37 C ATOM 250 CD2 PHE A 636 5.828 -1.895 -0.603 1.00 0.31 C ATOM 251 CE1 PHE A 636 5.325 -3.996 1.093 1.00 0.39 C ATOM 252 CE2 PHE A 636 6.215 -1.818 0.715 1.00 0.35 C ATOM 253 CZ PHE A 636 5.957 -2.980 1.569 1.00 0.36 C ATOM 0 H PHE A 636 7.095 -3.414 -3.323 1.00 0.26 H new ATOM 0 HA PHE A 636 4.998 -5.191 -2.579 1.00 0.26 H new ATOM 0 HB2 PHE A 636 5.177 -2.205 -3.062 1.00 0.28 H new ATOM 0 HB3 PHE A 636 3.680 -2.988 -2.599 1.00 0.28 H new ATOM 0 HD1 PHE A 636 4.437 -4.957 -0.593 1.00 0.37 H new ATOM 0 HD2 PHE A 636 6.030 -1.066 -1.265 1.00 0.31 H new ATOM 0 HE1 PHE A 636 5.090 -4.819 1.752 1.00 0.39 H new ATOM 0 HE2 PHE A 636 6.692 -0.932 1.106 1.00 0.35 H new ATOM 0 HZ PHE A 636 6.296 -2.985 2.594 1.00 0.36 H new ATOM 263 N ALA A 637 5.015 -4.059 -5.629 1.00 0.26 N ATOM 264 CA ALA A 637 4.443 -4.240 -6.961 1.00 0.26 C ATOM 265 C ALA A 637 4.309 -5.718 -7.321 1.00 0.24 C ATOM 266 O ALA A 637 3.545 -6.077 -8.214 1.00 0.26 O ATOM 267 CB ALA A 637 5.285 -3.523 -8.004 1.00 0.31 C ATOM 0 H ALA A 637 5.877 -3.513 -5.618 1.00 0.26 H new ATOM 0 HA ALA A 637 3.443 -3.806 -6.949 1.00 0.26 H new ATOM 0 HB1 ALA A 637 4.844 -3.669 -8.990 1.00 0.31 H new ATOM 0 HB2 ALA A 637 5.318 -2.458 -7.775 1.00 0.31 H new ATOM 0 HB3 ALA A 637 6.297 -3.928 -7.996 1.00 0.31 H new ATOM 273 N SER A 638 5.073 -6.568 -6.653 1.00 0.23 N ATOM 274 CA SER A 638 5.034 -7.994 -6.925 1.00 0.25 C ATOM 275 C SER A 638 3.733 -8.640 -6.432 1.00 0.23 C ATOM 276 O SER A 638 3.005 -9.246 -7.216 1.00 0.28 O ATOM 277 CB SER A 638 6.241 -8.679 -6.289 1.00 0.28 C ATOM 278 OG SER A 638 7.454 -8.161 -6.814 1.00 0.96 O ATOM 0 H SER A 638 5.727 -6.294 -5.919 1.00 0.23 H new ATOM 0 HA SER A 638 5.070 -8.125 -8.007 1.00 0.25 H new ATOM 0 HB2 SER A 638 6.218 -8.536 -5.209 1.00 0.28 H new ATOM 0 HB3 SER A 638 6.191 -9.753 -6.470 1.00 0.28 H new ATOM 0 HG SER A 638 7.493 -7.195 -6.655 1.00 0.96 H new ATOM 284 N PHE A 639 3.421 -8.502 -5.145 1.00 0.21 N ATOM 285 CA PHE A 639 2.273 -9.213 -4.580 1.00 0.23 C ATOM 286 C PHE A 639 1.021 -8.353 -4.494 1.00 0.22 C ATOM 287 O PHE A 639 -0.086 -8.862 -4.657 1.00 0.25 O ATOM 288 CB PHE A 639 2.596 -9.805 -3.205 1.00 0.26 C ATOM 289 CG PHE A 639 3.272 -8.864 -2.250 1.00 0.25 C ATOM 290 CD1 PHE A 639 2.541 -7.990 -1.454 1.00 0.24 C ATOM 291 CD2 PHE A 639 4.649 -8.885 -2.124 1.00 0.28 C ATOM 292 CE1 PHE A 639 3.180 -7.161 -0.556 1.00 0.27 C ATOM 293 CE2 PHE A 639 5.288 -8.053 -1.234 1.00 0.32 C ATOM 294 CZ PHE A 639 4.554 -7.194 -0.447 1.00 0.27 C ATOM 0 H PHE A 639 3.934 -7.918 -4.485 1.00 0.21 H new ATOM 0 HA PHE A 639 2.062 -10.026 -5.275 1.00 0.23 H new ATOM 0 HB2 PHE A 639 1.669 -10.156 -2.751 1.00 0.26 H new ATOM 0 HB3 PHE A 639 3.234 -10.678 -3.343 1.00 0.26 H new ATOM 0 HD1 PHE A 639 1.465 -7.960 -1.539 1.00 0.24 H new ATOM 0 HD2 PHE A 639 5.230 -9.563 -2.732 1.00 0.28 H new ATOM 0 HE1 PHE A 639 2.605 -6.487 0.061 1.00 0.27 H new ATOM 0 HE2 PHE A 639 6.365 -8.074 -1.153 1.00 0.32 H new ATOM 0 HZ PHE A 639 5.055 -6.545 0.256 1.00 0.27 H new ATOM 304 N VAL A 640 1.193 -7.058 -4.261 1.00 0.22 N ATOM 305 CA VAL A 640 0.057 -6.162 -4.045 1.00 0.24 C ATOM 306 C VAL A 640 -0.980 -6.231 -5.181 1.00 0.21 C ATOM 307 O VAL A 640 -2.159 -6.473 -4.916 1.00 0.24 O ATOM 308 CB VAL A 640 0.522 -4.704 -3.827 1.00 0.29 C ATOM 309 CG1 VAL A 640 -0.633 -3.736 -4.010 1.00 0.34 C ATOM 310 CG2 VAL A 640 1.126 -4.546 -2.440 1.00 0.34 C ATOM 0 H VAL A 640 2.105 -6.603 -4.216 1.00 0.22 H new ATOM 0 HA VAL A 640 -0.435 -6.511 -3.137 1.00 0.24 H new ATOM 0 HB VAL A 640 1.283 -4.473 -4.572 1.00 0.29 H new ATOM 0 HG11 VAL A 640 -0.282 -2.716 -3.852 1.00 0.34 H new ATOM 0 HG12 VAL A 640 -1.030 -3.830 -5.021 1.00 0.34 H new ATOM 0 HG13 VAL A 640 -1.418 -3.965 -3.289 1.00 0.34 H new ATOM 0 HG21 VAL A 640 1.449 -3.515 -2.299 1.00 0.34 H new ATOM 0 HG22 VAL A 640 0.379 -4.798 -1.687 1.00 0.34 H new ATOM 0 HG23 VAL A 640 1.983 -5.212 -2.338 1.00 0.34 H new ATOM 320 N PRO A 641 -0.573 -6.038 -6.456 1.00 0.22 N ATOM 321 CA PRO A 641 -1.501 -6.113 -7.589 1.00 0.27 C ATOM 322 C PRO A 641 -2.223 -7.453 -7.664 1.00 0.30 C ATOM 323 O PRO A 641 -3.409 -7.500 -7.961 1.00 0.42 O ATOM 324 CB PRO A 641 -0.603 -5.920 -8.813 1.00 0.36 C ATOM 325 CG PRO A 641 0.580 -5.187 -8.294 1.00 0.56 C ATOM 326 CD PRO A 641 0.791 -5.697 -6.899 1.00 0.24 C ATOM 0 HA PRO A 641 -2.293 -5.368 -7.508 1.00 0.27 H new ATOM 0 HB2 PRO A 641 -0.317 -6.877 -9.250 1.00 0.36 H new ATOM 0 HB3 PRO A 641 -1.111 -5.352 -9.593 1.00 0.36 H new ATOM 0 HG2 PRO A 641 1.457 -5.369 -8.915 1.00 0.56 H new ATOM 0 HG3 PRO A 641 0.406 -4.111 -8.296 1.00 0.56 H new ATOM 0 HD2 PRO A 641 1.449 -6.566 -6.883 1.00 0.24 H new ATOM 0 HD3 PRO A 641 1.246 -4.941 -6.258 1.00 0.24 H new ATOM 334 N ASN A 642 -1.512 -8.535 -7.370 1.00 0.30 N ATOM 335 CA ASN A 642 -2.093 -9.872 -7.454 1.00 0.37 C ATOM 336 C ASN A 642 -3.080 -10.124 -6.317 1.00 0.33 C ATOM 337 O ASN A 642 -4.081 -10.816 -6.500 1.00 0.38 O ATOM 338 CB ASN A 642 -0.997 -10.939 -7.446 1.00 0.49 C ATOM 339 CG ASN A 642 -0.193 -10.952 -8.733 1.00 0.98 C ATOM 340 OD1 ASN A 642 -0.539 -11.647 -9.688 1.00 1.70 O ATOM 341 ND2 ASN A 642 0.887 -10.189 -8.768 1.00 0.95 N ATOM 0 H ASN A 642 -0.537 -8.515 -7.072 1.00 0.30 H new ATOM 0 HA ASN A 642 -2.639 -9.934 -8.396 1.00 0.37 H new ATOM 0 HB2 ASN A 642 -0.327 -10.762 -6.604 1.00 0.49 H new ATOM 0 HB3 ASN A 642 -1.449 -11.919 -7.293 1.00 0.49 H new ATOM 0 HD21 ASN A 642 1.466 -10.163 -9.607 1.00 0.95 H new ATOM 0 HD22 ASN A 642 1.141 -9.627 -7.956 1.00 0.95 H new ATOM 348 N LEU A 643 -2.799 -9.561 -5.148 1.00 0.29 N ATOM 349 CA LEU A 643 -3.691 -9.705 -4.003 1.00 0.31 C ATOM 350 C LEU A 643 -4.999 -8.963 -4.254 1.00 0.28 C ATOM 351 O LEU A 643 -6.074 -9.558 -4.253 1.00 0.33 O ATOM 352 CB LEU A 643 -3.018 -9.173 -2.724 1.00 0.33 C ATOM 353 CG LEU A 643 -1.775 -9.941 -2.271 1.00 0.57 C ATOM 354 CD1 LEU A 643 -1.174 -9.290 -1.036 1.00 1.37 C ATOM 355 CD2 LEU A 643 -2.114 -11.399 -1.996 1.00 1.24 C ATOM 0 H LEU A 643 -1.965 -9.003 -4.968 1.00 0.29 H new ATOM 0 HA LEU A 643 -3.908 -10.765 -3.867 1.00 0.31 H new ATOM 0 HB2 LEU A 643 -2.742 -8.131 -2.885 1.00 0.33 H new ATOM 0 HB3 LEU A 643 -3.749 -9.188 -1.915 1.00 0.33 H new ATOM 0 HG LEU A 643 -1.038 -9.909 -3.074 1.00 0.57 H new ATOM 0 HD11 LEU A 643 -0.290 -9.847 -0.725 1.00 1.37 H new ATOM 0 HD12 LEU A 643 -0.893 -8.262 -1.267 1.00 1.37 H new ATOM 0 HD13 LEU A 643 -1.907 -9.293 -0.230 1.00 1.37 H new ATOM 0 HD21 LEU A 643 -1.216 -11.927 -1.675 1.00 1.24 H new ATOM 0 HD22 LEU A 643 -2.868 -11.455 -1.211 1.00 1.24 H new ATOM 0 HD23 LEU A 643 -2.501 -11.860 -2.905 1.00 1.24 H new ATOM 367 N ILE A 644 -4.889 -7.676 -4.530 1.00 0.26 N ATOM 368 CA ILE A 644 -6.051 -6.803 -4.645 1.00 0.29 C ATOM 369 C ILE A 644 -6.772 -6.968 -5.982 1.00 0.36 C ATOM 370 O ILE A 644 -7.920 -6.560 -6.113 1.00 0.47 O ATOM 371 CB ILE A 644 -5.680 -5.332 -4.407 1.00 0.33 C ATOM 372 CG1 ILE A 644 -4.808 -5.242 -3.165 1.00 0.51 C ATOM 373 CG2 ILE A 644 -6.927 -4.466 -4.233 1.00 0.41 C ATOM 374 CD1 ILE A 644 -4.311 -3.843 -2.866 1.00 0.67 C ATOM 0 H ILE A 644 -3.997 -7.205 -4.681 1.00 0.26 H new ATOM 0 HA ILE A 644 -6.744 -7.110 -3.861 1.00 0.29 H new ATOM 0 HB ILE A 644 -5.138 -4.960 -5.276 1.00 0.33 H new ATOM 0 HG12 ILE A 644 -5.374 -5.607 -2.308 1.00 0.51 H new ATOM 0 HG13 ILE A 644 -3.950 -5.904 -3.286 1.00 0.51 H new ATOM 0 HG21 ILE A 644 -6.630 -3.430 -4.066 1.00 0.41 H new ATOM 0 HG22 ILE A 644 -7.541 -4.527 -5.132 1.00 0.41 H new ATOM 0 HG23 ILE A 644 -7.500 -4.822 -3.377 1.00 0.41 H new ATOM 0 HD11 ILE A 644 -3.696 -3.860 -1.966 1.00 0.67 H new ATOM 0 HD12 ILE A 644 -3.716 -3.481 -3.705 1.00 0.67 H new ATOM 0 HD13 ILE A 644 -5.162 -3.180 -2.712 1.00 0.67 H new ATOM 386 N LYS A 645 -6.090 -7.496 -6.993 1.00 0.42 N ATOM 387 CA LYS A 645 -6.727 -7.792 -8.265 1.00 0.60 C ATOM 388 C LYS A 645 -8.074 -8.484 -8.066 1.00 0.68 C ATOM 389 O LYS A 645 -9.049 -8.167 -8.750 1.00 0.81 O ATOM 390 CB LYS A 645 -5.817 -8.680 -9.104 1.00 0.73 C ATOM 391 CG LYS A 645 -6.286 -8.826 -10.527 1.00 1.14 C ATOM 392 CD LYS A 645 -6.525 -7.467 -11.157 1.00 1.61 C ATOM 393 CE LYS A 645 -6.897 -7.612 -12.608 1.00 2.44 C ATOM 394 NZ LYS A 645 -8.158 -8.384 -12.784 1.00 3.24 N ATOM 0 H LYS A 645 -5.097 -7.726 -6.953 1.00 0.42 H new ATOM 0 HA LYS A 645 -6.902 -6.848 -8.781 1.00 0.60 H new ATOM 0 HB2 LYS A 645 -4.809 -8.265 -9.100 1.00 0.73 H new ATOM 0 HB3 LYS A 645 -5.757 -9.666 -8.644 1.00 0.73 H new ATOM 0 HG2 LYS A 645 -5.542 -9.374 -11.105 1.00 1.14 H new ATOM 0 HG3 LYS A 645 -7.205 -9.411 -10.554 1.00 1.14 H new ATOM 0 HD2 LYS A 645 -7.320 -6.948 -10.623 1.00 1.61 H new ATOM 0 HD3 LYS A 645 -5.627 -6.855 -11.066 1.00 1.61 H new ATOM 0 HE2 LYS A 645 -7.011 -6.624 -13.054 1.00 2.44 H new ATOM 0 HE3 LYS A 645 -6.088 -8.111 -13.142 1.00 2.44 H new ATOM 0 HZ1 LYS A 645 -8.488 -8.291 -13.766 1.00 3.24 H new ATOM 0 HZ2 LYS A 645 -7.984 -9.387 -12.571 1.00 3.24 H new ATOM 0 HZ3 LYS A 645 -8.884 -8.014 -12.138 1.00 3.24 H new ATOM 408 N LYS A 646 -8.130 -9.410 -7.118 1.00 0.65 N ATOM 409 CA LYS A 646 -9.372 -10.100 -6.804 1.00 0.80 C ATOM 410 C LYS A 646 -9.245 -10.833 -5.473 1.00 0.82 C ATOM 411 O LYS A 646 -8.928 -12.022 -5.429 1.00 0.97 O ATOM 412 CB LYS A 646 -9.745 -11.080 -7.924 1.00 0.99 C ATOM 413 CG LYS A 646 -11.138 -11.676 -7.781 1.00 1.22 C ATOM 414 CD LYS A 646 -11.085 -13.185 -7.603 1.00 1.85 C ATOM 415 CE LYS A 646 -10.408 -13.859 -8.783 1.00 2.19 C ATOM 416 NZ LYS A 646 -10.339 -15.334 -8.620 1.00 2.88 N ATOM 0 H LYS A 646 -7.331 -9.700 -6.554 1.00 0.65 H new ATOM 0 HA LYS A 646 -10.168 -9.360 -6.720 1.00 0.80 H new ATOM 0 HB2 LYS A 646 -9.677 -10.565 -8.882 1.00 0.99 H new ATOM 0 HB3 LYS A 646 -9.014 -11.889 -7.944 1.00 0.99 H new ATOM 0 HG2 LYS A 646 -11.641 -11.226 -6.925 1.00 1.22 H new ATOM 0 HG3 LYS A 646 -11.731 -11.434 -8.663 1.00 1.22 H new ATOM 0 HD2 LYS A 646 -10.547 -13.426 -6.686 1.00 1.85 H new ATOM 0 HD3 LYS A 646 -12.096 -13.575 -7.490 1.00 1.85 H new ATOM 0 HE2 LYS A 646 -10.952 -13.621 -9.697 1.00 2.19 H new ATOM 0 HE3 LYS A 646 -9.400 -13.460 -8.899 1.00 2.19 H new ATOM 0 HZ1 LYS A 646 -9.870 -15.753 -9.448 1.00 2.88 H new ATOM 0 HZ2 LYS A 646 -9.798 -15.564 -7.762 1.00 2.88 H new ATOM 0 HZ3 LYS A 646 -11.301 -15.719 -8.536 1.00 2.88 H new ATOM 430 N ASN A 647 -9.471 -10.114 -4.386 1.00 0.74 N ATOM 431 CA ASN A 647 -9.413 -10.710 -3.061 1.00 0.85 C ATOM 432 C ASN A 647 -10.711 -10.388 -2.330 1.00 0.79 C ATOM 433 O ASN A 647 -11.446 -9.510 -2.779 1.00 0.68 O ATOM 434 CB ASN A 647 -8.193 -10.148 -2.312 1.00 0.92 C ATOM 435 CG ASN A 647 -7.760 -10.969 -1.113 1.00 1.47 C ATOM 436 OD1 ASN A 647 -8.164 -10.705 0.022 1.00 2.38 O ATOM 437 ND2 ASN A 647 -6.932 -11.971 -1.357 1.00 1.39 N ATOM 0 H ASN A 647 -9.696 -9.119 -4.394 1.00 0.74 H new ATOM 0 HA ASN A 647 -9.305 -11.793 -3.122 1.00 0.85 H new ATOM 0 HB2 ASN A 647 -7.357 -10.075 -3.008 1.00 0.92 H new ATOM 0 HB3 ASN A 647 -8.421 -9.135 -1.980 1.00 0.92 H new ATOM 0 HD21 ASN A 647 -6.604 -12.559 -0.591 1.00 1.39 H new ATOM 0 HD22 ASN A 647 -6.622 -12.155 -2.311 1.00 1.39 H new ATOM 444 N PRO A 648 -11.062 -11.093 -1.241 1.00 0.89 N ATOM 445 CA PRO A 648 -12.176 -10.684 -0.380 1.00 0.90 C ATOM 446 C PRO A 648 -12.129 -9.194 -0.018 1.00 0.81 C ATOM 447 O PRO A 648 -13.165 -8.569 0.208 1.00 0.82 O ATOM 448 CB PRO A 648 -11.976 -11.543 0.864 1.00 1.08 C ATOM 449 CG PRO A 648 -11.347 -12.793 0.356 1.00 1.30 C ATOM 450 CD PRO A 648 -10.496 -12.392 -0.822 1.00 1.04 C ATOM 0 HA PRO A 648 -13.142 -10.819 -0.867 1.00 0.90 H new ATOM 0 HB2 PRO A 648 -11.336 -11.044 1.592 1.00 1.08 H new ATOM 0 HB3 PRO A 648 -12.924 -11.749 1.361 1.00 1.08 H new ATOM 0 HG2 PRO A 648 -10.742 -13.265 1.130 1.00 1.30 H new ATOM 0 HG3 PRO A 648 -12.106 -13.517 0.059 1.00 1.30 H new ATOM 0 HD2 PRO A 648 -9.446 -12.300 -0.544 1.00 1.04 H new ATOM 0 HD3 PRO A 648 -10.550 -13.129 -1.623 1.00 1.04 H new ATOM 458 N GLN A 649 -10.929 -8.617 -0.002 1.00 0.80 N ATOM 459 CA GLN A 649 -10.770 -7.204 0.283 1.00 0.82 C ATOM 460 C GLN A 649 -11.107 -6.381 -0.959 1.00 0.68 C ATOM 461 O GLN A 649 -11.668 -5.292 -0.872 1.00 0.71 O ATOM 462 CB GLN A 649 -9.338 -6.958 0.754 1.00 1.02 C ATOM 463 CG GLN A 649 -8.279 -7.513 -0.189 1.00 0.92 C ATOM 464 CD GLN A 649 -6.891 -7.569 0.426 1.00 1.44 C ATOM 465 OE1 GLN A 649 -6.821 -7.728 1.739 1.00 2.04 O flip ATOM 466 NE2 GLN A 649 -5.888 -7.474 -0.275 1.00 1.83 N flip ATOM 0 H GLN A 649 -10.056 -9.112 -0.184 1.00 0.80 H new ATOM 0 HA GLN A 649 -11.454 -6.895 1.073 1.00 0.82 H new ATOM 0 HB2 GLN A 649 -9.182 -5.885 0.870 1.00 1.02 H new ATOM 0 HB3 GLN A 649 -9.207 -7.407 1.738 1.00 1.02 H new ATOM 0 HG2 GLN A 649 -8.571 -8.516 -0.501 1.00 0.92 H new ATOM 0 HG3 GLN A 649 -8.245 -6.897 -1.088 1.00 0.92 H new ATOM 0 HE21 GLN A 649 -5.980 -7.352 -1.283 1.00 1.83 H new ATOM 0 HE22 GLN A 649 -4.962 -7.517 0.151 1.00 1.83 H new ATOM 475 N SER A 650 -10.775 -6.931 -2.111 1.00 0.63 N ATOM 476 CA SER A 650 -11.059 -6.313 -3.391 1.00 0.61 C ATOM 477 C SER A 650 -12.536 -6.388 -3.745 1.00 0.63 C ATOM 478 O SER A 650 -13.079 -5.483 -4.372 1.00 0.67 O ATOM 479 CB SER A 650 -10.263 -7.031 -4.453 1.00 0.70 C ATOM 480 OG SER A 650 -9.018 -7.438 -3.927 1.00 1.56 O ATOM 0 H SER A 650 -10.296 -7.828 -2.185 1.00 0.63 H new ATOM 0 HA SER A 650 -10.785 -5.260 -3.332 1.00 0.61 H new ATOM 0 HB2 SER A 650 -10.817 -7.898 -4.811 1.00 0.70 H new ATOM 0 HB3 SER A 650 -10.109 -6.375 -5.310 1.00 0.70 H new ATOM 0 HG SER A 650 -8.698 -6.767 -3.288 1.00 1.56 H new ATOM 486 N LYS A 651 -13.181 -7.485 -3.370 1.00 0.66 N ATOM 487 CA LYS A 651 -14.582 -7.677 -3.705 1.00 0.74 C ATOM 488 C LYS A 651 -15.462 -6.783 -2.839 1.00 0.72 C ATOM 489 O LYS A 651 -16.657 -6.651 -3.084 1.00 0.78 O ATOM 490 CB LYS A 651 -14.992 -9.153 -3.584 1.00 0.87 C ATOM 491 CG LYS A 651 -15.189 -9.650 -2.160 1.00 1.53 C ATOM 492 CD LYS A 651 -15.452 -11.154 -2.128 1.00 1.63 C ATOM 493 CE LYS A 651 -16.627 -11.557 -3.015 1.00 2.38 C ATOM 494 NZ LYS A 651 -17.905 -10.934 -2.582 1.00 3.08 N ATOM 0 H LYS A 651 -12.760 -8.247 -2.839 1.00 0.66 H new ATOM 0 HA LYS A 651 -14.724 -7.390 -4.747 1.00 0.74 H new ATOM 0 HB2 LYS A 651 -15.919 -9.304 -4.137 1.00 0.87 H new ATOM 0 HB3 LYS A 651 -14.231 -9.767 -4.065 1.00 0.87 H new ATOM 0 HG2 LYS A 651 -14.304 -9.421 -1.567 1.00 1.53 H new ATOM 0 HG3 LYS A 651 -16.025 -9.123 -1.701 1.00 1.53 H new ATOM 0 HD2 LYS A 651 -14.556 -11.684 -2.453 1.00 1.63 H new ATOM 0 HD3 LYS A 651 -15.651 -11.464 -1.102 1.00 1.63 H new ATOM 0 HE2 LYS A 651 -16.416 -11.269 -4.045 1.00 2.38 H new ATOM 0 HE3 LYS A 651 -16.732 -12.642 -3.003 1.00 2.38 H new ATOM 0 HZ1 LYS A 651 -18.672 -11.238 -3.215 1.00 3.08 H new ATOM 0 HZ2 LYS A 651 -18.123 -11.229 -1.609 1.00 3.08 H new ATOM 0 HZ3 LYS A 651 -17.816 -9.898 -2.619 1.00 3.08 H new ATOM 508 N GLN A 652 -14.864 -6.163 -1.830 1.00 0.69 N ATOM 509 CA GLN A 652 -15.574 -5.179 -1.034 1.00 0.76 C ATOM 510 C GLN A 652 -15.092 -3.792 -1.433 1.00 0.71 C ATOM 511 O GLN A 652 -15.621 -2.775 -0.980 1.00 0.87 O ATOM 512 CB GLN A 652 -15.391 -5.418 0.474 1.00 0.84 C ATOM 513 CG GLN A 652 -14.046 -4.981 1.029 1.00 1.34 C ATOM 514 CD GLN A 652 -13.979 -5.099 2.541 1.00 1.94 C ATOM 515 OE1 GLN A 652 -14.996 -4.996 3.231 1.00 2.22 O ATOM 516 NE2 GLN A 652 -12.782 -5.296 3.070 1.00 2.75 N ATOM 0 H GLN A 652 -13.897 -6.324 -1.548 1.00 0.69 H new ATOM 0 HA GLN A 652 -16.642 -5.269 -1.230 1.00 0.76 H new ATOM 0 HB2 GLN A 652 -16.179 -4.889 1.010 1.00 0.84 H new ATOM 0 HB3 GLN A 652 -15.525 -6.480 0.678 1.00 0.84 H new ATOM 0 HG2 GLN A 652 -13.258 -5.588 0.584 1.00 1.34 H new ATOM 0 HG3 GLN A 652 -13.854 -3.948 0.739 1.00 1.34 H new ATOM 0 HE21 GLN A 652 -11.964 -5.376 2.466 1.00 2.75 H new ATOM 0 HE22 GLN A 652 -12.677 -5.368 4.082 1.00 2.75 H new ATOM 525 N PHE A 653 -14.080 -3.764 -2.299 1.00 0.56 N ATOM 526 CA PHE A 653 -13.564 -2.516 -2.842 1.00 0.51 C ATOM 527 C PHE A 653 -14.445 -2.009 -3.979 1.00 0.61 C ATOM 528 O PHE A 653 -15.360 -2.698 -4.438 1.00 0.87 O ATOM 529 CB PHE A 653 -12.161 -2.730 -3.389 1.00 0.44 C ATOM 530 CG PHE A 653 -11.053 -2.108 -2.609 1.00 0.43 C ATOM 531 CD1 PHE A 653 -11.256 -0.902 -1.970 1.00 0.58 C ATOM 532 CD2 PHE A 653 -9.836 -2.740 -2.468 1.00 0.52 C ATOM 533 CE1 PHE A 653 -10.275 -0.345 -1.199 1.00 0.66 C ATOM 534 CE2 PHE A 653 -8.839 -2.180 -1.702 1.00 0.58 C ATOM 535 CZ PHE A 653 -8.946 -0.936 -1.272 1.00 0.58 C ATOM 0 H PHE A 653 -13.601 -4.598 -2.639 1.00 0.56 H new ATOM 0 HA PHE A 653 -13.553 -1.783 -2.036 1.00 0.51 H new ATOM 0 HB2 PHE A 653 -11.977 -3.802 -3.452 1.00 0.44 H new ATOM 0 HB3 PHE A 653 -12.126 -2.340 -4.406 1.00 0.44 H new ATOM 0 HD1 PHE A 653 -12.202 -0.392 -2.081 1.00 0.58 H new ATOM 0 HD2 PHE A 653 -9.663 -3.684 -2.964 1.00 0.52 H new ATOM 0 HE1 PHE A 653 -10.478 0.502 -0.560 1.00 0.66 H new ATOM 0 HE2 PHE A 653 -7.964 -2.761 -1.451 1.00 0.58 H new ATOM 0 HZ PHE A 653 -8.072 -0.372 -0.982 1.00 0.58 H new ATOM 545 N ASP A 654 -14.134 -0.808 -4.440 1.00 0.53 N ATOM 546 CA ASP A 654 -14.782 -0.208 -5.595 1.00 0.58 C ATOM 547 C ASP A 654 -13.810 -0.248 -6.777 1.00 0.58 C ATOM 548 O ASP A 654 -12.767 -0.900 -6.695 1.00 0.63 O ATOM 549 CB ASP A 654 -15.229 1.231 -5.306 1.00 0.65 C ATOM 550 CG ASP A 654 -16.455 1.639 -6.108 1.00 1.07 C ATOM 551 OD1 ASP A 654 -16.402 1.573 -7.354 1.00 1.47 O ATOM 552 OD2 ASP A 654 -17.475 2.033 -5.505 1.00 1.77 O ATOM 0 H ASP A 654 -13.418 -0.217 -4.019 1.00 0.53 H new ATOM 0 HA ASP A 654 -15.681 -0.776 -5.835 1.00 0.58 H new ATOM 0 HB2 ASP A 654 -15.446 1.333 -4.243 1.00 0.65 H new ATOM 0 HB3 ASP A 654 -14.409 1.913 -5.531 1.00 0.65 H new ATOM 557 N HIS A 655 -14.150 0.390 -7.878 1.00 0.63 N ATOM 558 CA HIS A 655 -13.280 0.379 -9.051 1.00 0.67 C ATOM 559 C HIS A 655 -12.040 1.268 -8.869 1.00 0.63 C ATOM 560 O HIS A 655 -10.914 0.816 -9.083 1.00 0.65 O ATOM 561 CB HIS A 655 -14.060 0.786 -10.317 1.00 0.83 C ATOM 562 CG HIS A 655 -14.531 2.214 -10.342 1.00 1.61 C ATOM 563 ND1 HIS A 655 -15.559 2.687 -9.554 1.00 2.50 N ATOM 564 CD2 HIS A 655 -14.098 3.278 -11.063 1.00 2.36 C ATOM 565 CE1 HIS A 655 -15.740 3.972 -9.789 1.00 3.36 C ATOM 566 NE2 HIS A 655 -14.865 4.356 -10.698 1.00 3.28 N ATOM 0 H HIS A 655 -15.014 0.920 -7.992 1.00 0.63 H new ATOM 0 HA HIS A 655 -12.925 -0.645 -9.172 1.00 0.67 H new ATOM 0 HB2 HIS A 655 -13.427 0.613 -11.187 1.00 0.83 H new ATOM 0 HB3 HIS A 655 -14.926 0.132 -10.418 1.00 0.83 H new ATOM 0 HD1 HIS A 655 -16.097 2.129 -8.891 1.00 2.50 H new ATOM 0 HD2 HIS A 655 -13.299 3.277 -11.789 1.00 2.36 H new ATOM 0 HE1 HIS A 655 -16.479 4.603 -9.317 1.00 3.36 H new ATOM 575 N GLU A 656 -12.246 2.518 -8.459 1.00 0.64 N ATOM 576 CA GLU A 656 -11.156 3.489 -8.419 1.00 0.64 C ATOM 577 C GLU A 656 -10.250 3.249 -7.220 1.00 0.50 C ATOM 578 O GLU A 656 -9.032 3.421 -7.303 1.00 0.54 O ATOM 579 CB GLU A 656 -11.684 4.935 -8.418 1.00 0.75 C ATOM 580 CG GLU A 656 -12.281 5.408 -7.095 1.00 0.82 C ATOM 581 CD GLU A 656 -13.592 4.735 -6.748 1.00 1.30 C ATOM 582 OE1 GLU A 656 -13.567 3.580 -6.286 1.00 2.14 O ATOM 583 OE2 GLU A 656 -14.652 5.367 -6.925 1.00 1.32 O ATOM 0 H GLU A 656 -13.149 2.879 -8.152 1.00 0.64 H new ATOM 0 HA GLU A 656 -10.567 3.350 -9.326 1.00 0.64 H new ATOM 0 HB2 GLU A 656 -10.867 5.603 -8.689 1.00 0.75 H new ATOM 0 HB3 GLU A 656 -12.443 5.028 -9.195 1.00 0.75 H new ATOM 0 HG2 GLU A 656 -11.564 5.223 -6.295 1.00 0.82 H new ATOM 0 HG3 GLU A 656 -12.436 6.486 -7.140 1.00 0.82 H new ATOM 590 N ASN A 657 -10.850 2.844 -6.108 1.00 0.44 N ATOM 591 CA ASN A 657 -10.112 2.653 -4.872 1.00 0.41 C ATOM 592 C ASN A 657 -9.158 1.479 -4.983 1.00 0.32 C ATOM 593 O ASN A 657 -8.089 1.498 -4.394 1.00 0.33 O ATOM 594 CB ASN A 657 -11.041 2.494 -3.659 1.00 0.57 C ATOM 595 CG ASN A 657 -12.089 1.447 -3.803 1.00 0.89 C ATOM 596 OD1 ASN A 657 -11.954 0.525 -4.582 1.00 1.88 O ATOM 597 ND2 ASN A 657 -13.130 1.563 -2.989 1.00 0.72 N ATOM 0 H ASN A 657 -11.847 2.642 -6.040 1.00 0.44 H new ATOM 0 HA ASN A 657 -9.525 3.557 -4.709 1.00 0.41 H new ATOM 0 HB2 ASN A 657 -10.434 2.262 -2.784 1.00 0.57 H new ATOM 0 HB3 ASN A 657 -11.528 3.450 -3.465 1.00 0.57 H new ATOM 0 HD21 ASN A 657 -13.866 0.857 -2.999 1.00 0.72 H new ATOM 0 HD22 ASN A 657 -13.194 2.358 -2.353 1.00 0.72 H new ATOM 604 N ILE A 658 -9.549 0.459 -5.730 1.00 0.32 N ATOM 605 CA ILE A 658 -8.683 -0.685 -5.955 1.00 0.32 C ATOM 606 C ILE A 658 -7.399 -0.263 -6.677 1.00 0.31 C ATOM 607 O ILE A 658 -6.308 -0.727 -6.339 1.00 0.34 O ATOM 608 CB ILE A 658 -9.421 -1.815 -6.718 1.00 0.39 C ATOM 609 CG1 ILE A 658 -9.838 -2.898 -5.718 1.00 0.37 C ATOM 610 CG2 ILE A 658 -8.568 -2.404 -7.837 1.00 0.46 C ATOM 611 CD1 ILE A 658 -10.289 -4.190 -6.355 1.00 0.43 C ATOM 0 H ILE A 658 -10.458 0.401 -6.189 1.00 0.32 H new ATOM 0 HA ILE A 658 -8.401 -1.087 -4.982 1.00 0.32 H new ATOM 0 HB ILE A 658 -10.306 -1.393 -7.195 1.00 0.39 H new ATOM 0 HG12 ILE A 658 -8.998 -3.107 -5.055 1.00 0.37 H new ATOM 0 HG13 ILE A 658 -10.646 -2.511 -5.097 1.00 0.37 H new ATOM 0 HG21 ILE A 658 -9.126 -3.192 -8.344 1.00 0.46 H new ATOM 0 HG22 ILE A 658 -8.315 -1.621 -8.552 1.00 0.46 H new ATOM 0 HG23 ILE A 658 -7.653 -2.821 -7.416 1.00 0.46 H new ATOM 0 HD11 ILE A 658 -10.566 -4.902 -5.577 1.00 0.43 H new ATOM 0 HD12 ILE A 658 -11.150 -3.999 -6.995 1.00 0.43 H new ATOM 0 HD13 ILE A 658 -9.477 -4.604 -6.953 1.00 0.43 H new ATOM 623 N LYS A 659 -7.529 0.640 -7.644 1.00 0.32 N ATOM 624 CA LYS A 659 -6.363 1.176 -8.336 1.00 0.37 C ATOM 625 C LYS A 659 -5.554 2.061 -7.396 1.00 0.34 C ATOM 626 O LYS A 659 -4.332 1.930 -7.296 1.00 0.37 O ATOM 627 CB LYS A 659 -6.779 1.976 -9.574 1.00 0.48 C ATOM 628 CG LYS A 659 -5.634 2.775 -10.185 1.00 1.37 C ATOM 629 CD LYS A 659 -6.076 3.585 -11.394 1.00 1.85 C ATOM 630 CE LYS A 659 -5.916 2.808 -12.694 1.00 2.61 C ATOM 631 NZ LYS A 659 -6.778 1.599 -12.759 1.00 3.38 N ATOM 0 H LYS A 659 -8.423 1.013 -7.964 1.00 0.32 H new ATOM 0 HA LYS A 659 -5.747 0.337 -8.659 1.00 0.37 H new ATOM 0 HB2 LYS A 659 -7.177 1.292 -10.324 1.00 0.48 H new ATOM 0 HB3 LYS A 659 -7.586 2.658 -9.304 1.00 0.48 H new ATOM 0 HG2 LYS A 659 -5.220 3.446 -9.432 1.00 1.37 H new ATOM 0 HG3 LYS A 659 -4.835 2.094 -10.479 1.00 1.37 H new ATOM 0 HD2 LYS A 659 -7.119 3.877 -11.273 1.00 1.85 H new ATOM 0 HD3 LYS A 659 -5.492 4.504 -11.447 1.00 1.85 H new ATOM 0 HE2 LYS A 659 -6.153 3.462 -13.533 1.00 2.61 H new ATOM 0 HE3 LYS A 659 -4.873 2.510 -12.807 1.00 2.61 H new ATOM 0 HZ1 LYS A 659 -6.864 1.287 -13.747 1.00 3.38 H new ATOM 0 HZ2 LYS A 659 -6.353 0.838 -12.191 1.00 3.38 H new ATOM 0 HZ3 LYS A 659 -7.721 1.825 -12.384 1.00 3.38 H new ATOM 645 N GLN A 660 -6.255 2.949 -6.704 1.00 0.34 N ATOM 646 CA GLN A 660 -5.629 3.889 -5.785 1.00 0.38 C ATOM 647 C GLN A 660 -4.910 3.144 -4.662 1.00 0.31 C ATOM 648 O GLN A 660 -3.787 3.488 -4.295 1.00 0.31 O ATOM 649 CB GLN A 660 -6.694 4.845 -5.227 1.00 0.50 C ATOM 650 CG GLN A 660 -6.146 6.005 -4.403 1.00 1.28 C ATOM 651 CD GLN A 660 -6.184 5.743 -2.907 1.00 1.78 C ATOM 652 OE1 GLN A 660 -7.176 6.040 -2.241 1.00 1.90 O ATOM 653 NE2 GLN A 660 -5.104 5.211 -2.368 1.00 2.71 N ATOM 0 H GLN A 660 -7.269 3.038 -6.764 1.00 0.34 H new ATOM 0 HA GLN A 660 -4.881 4.474 -6.320 1.00 0.38 H new ATOM 0 HB2 GLN A 660 -7.270 5.250 -6.059 1.00 0.50 H new ATOM 0 HB3 GLN A 660 -7.386 4.274 -4.608 1.00 0.50 H new ATOM 0 HG2 GLN A 660 -5.118 6.204 -4.705 1.00 1.28 H new ATOM 0 HG3 GLN A 660 -6.722 6.904 -4.623 1.00 1.28 H new ATOM 0 HE21 GLN A 660 -4.303 4.979 -2.955 1.00 2.71 H new ATOM 0 HE22 GLN A 660 -5.070 5.032 -1.364 1.00 2.71 H new ATOM 662 N CYS A 661 -5.549 2.108 -4.139 1.00 0.27 N ATOM 663 CA CYS A 661 -4.982 1.324 -3.057 1.00 0.26 C ATOM 664 C CYS A 661 -3.674 0.674 -3.473 1.00 0.23 C ATOM 665 O CYS A 661 -2.679 0.812 -2.779 1.00 0.25 O ATOM 666 CB CYS A 661 -5.967 0.255 -2.588 1.00 0.28 C ATOM 667 SG CYS A 661 -5.275 -0.920 -1.411 1.00 0.30 S ATOM 0 H CYS A 661 -6.467 1.791 -4.451 1.00 0.27 H new ATOM 0 HA CYS A 661 -4.780 2.006 -2.231 1.00 0.26 H new ATOM 0 HB2 CYS A 661 -6.828 0.745 -2.132 1.00 0.28 H new ATOM 0 HB3 CYS A 661 -6.334 -0.291 -3.457 1.00 0.28 H new ATOM 0 HG CYS A 661 -4.132 -1.354 -1.852 1.00 0.30 H new ATOM 673 N ALA A 662 -3.683 -0.027 -4.603 1.00 0.23 N ATOM 674 CA ALA A 662 -2.497 -0.729 -5.083 1.00 0.25 C ATOM 675 C ALA A 662 -1.284 0.198 -5.178 1.00 0.24 C ATOM 676 O ALA A 662 -0.223 -0.093 -4.622 1.00 0.24 O ATOM 677 CB ALA A 662 -2.784 -1.365 -6.433 1.00 0.32 C ATOM 0 H ALA A 662 -4.501 -0.124 -5.205 1.00 0.23 H new ATOM 0 HA ALA A 662 -2.254 -1.507 -4.359 1.00 0.25 H new ATOM 0 HB1 ALA A 662 -1.895 -1.887 -6.786 1.00 0.32 H new ATOM 0 HB2 ALA A 662 -3.606 -2.074 -6.334 1.00 0.32 H new ATOM 0 HB3 ALA A 662 -3.058 -0.590 -7.149 1.00 0.32 H new ATOM 683 N LYS A 663 -1.440 1.324 -5.856 1.00 0.27 N ATOM 684 CA LYS A 663 -0.325 2.243 -6.041 1.00 0.30 C ATOM 685 C LYS A 663 0.106 2.879 -4.719 1.00 0.26 C ATOM 686 O LYS A 663 1.298 3.086 -4.480 1.00 0.29 O ATOM 687 CB LYS A 663 -0.669 3.328 -7.067 1.00 0.40 C ATOM 688 CG LYS A 663 -1.982 4.051 -6.799 1.00 1.19 C ATOM 689 CD LYS A 663 -2.146 5.258 -7.708 1.00 1.51 C ATOM 690 CE LYS A 663 -1.222 6.391 -7.292 1.00 2.61 C ATOM 691 NZ LYS A 663 -1.675 7.046 -6.034 1.00 3.57 N ATOM 0 H LYS A 663 -2.317 1.623 -6.283 1.00 0.27 H new ATOM 0 HA LYS A 663 0.513 1.659 -6.422 1.00 0.30 H new ATOM 0 HB2 LYS A 663 0.138 4.061 -7.088 1.00 0.40 H new ATOM 0 HB3 LYS A 663 -0.713 2.874 -8.057 1.00 0.40 H new ATOM 0 HG2 LYS A 663 -2.815 3.364 -6.950 1.00 1.19 H new ATOM 0 HG3 LYS A 663 -2.017 4.371 -5.757 1.00 1.19 H new ATOM 0 HD2 LYS A 663 -1.934 4.972 -8.738 1.00 1.51 H new ATOM 0 HD3 LYS A 663 -3.181 5.600 -7.679 1.00 1.51 H new ATOM 0 HE2 LYS A 663 -0.212 6.004 -7.156 1.00 2.61 H new ATOM 0 HE3 LYS A 663 -1.175 7.132 -8.090 1.00 2.61 H new ATOM 0 HZ1 LYS A 663 -0.999 7.790 -5.767 1.00 3.57 H new ATOM 0 HZ2 LYS A 663 -2.614 7.468 -6.181 1.00 3.57 H new ATOM 0 HZ3 LYS A 663 -1.728 6.338 -5.274 1.00 3.57 H new ATOM 705 N ASP A 664 -0.856 3.173 -3.853 1.00 0.25 N ATOM 706 CA ASP A 664 -0.558 3.871 -2.610 1.00 0.29 C ATOM 707 C ASP A 664 -0.007 2.948 -1.532 1.00 0.25 C ATOM 708 O ASP A 664 0.813 3.377 -0.744 1.00 0.30 O ATOM 709 CB ASP A 664 -1.768 4.640 -2.094 1.00 0.38 C ATOM 710 CG ASP A 664 -1.908 5.986 -2.775 1.00 1.03 C ATOM 711 OD1 ASP A 664 -1.253 6.957 -2.333 1.00 1.60 O ATOM 712 OD2 ASP A 664 -2.659 6.085 -3.767 1.00 1.72 O ATOM 0 H ASP A 664 -1.840 2.941 -3.987 1.00 0.25 H new ATOM 0 HA ASP A 664 0.228 4.588 -2.848 1.00 0.29 H new ATOM 0 HB2 ASP A 664 -2.671 4.052 -2.260 1.00 0.38 H new ATOM 0 HB3 ASP A 664 -1.676 4.785 -1.018 1.00 0.38 H new ATOM 717 N ILE A 665 -0.439 1.691 -1.486 1.00 0.23 N ATOM 718 CA ILE A 665 0.133 0.740 -0.526 1.00 0.24 C ATOM 719 C ILE A 665 1.608 0.533 -0.838 1.00 0.25 C ATOM 720 O ILE A 665 2.438 0.432 0.063 1.00 0.29 O ATOM 721 CB ILE A 665 -0.614 -0.624 -0.506 1.00 0.24 C ATOM 722 CG1 ILE A 665 0.058 -1.633 0.439 1.00 0.29 C ATOM 723 CG2 ILE A 665 -0.702 -1.212 -1.895 1.00 0.23 C ATOM 724 CD1 ILE A 665 -0.760 -2.889 0.639 1.00 0.38 C ATOM 0 H ILE A 665 -1.168 1.308 -2.088 1.00 0.23 H new ATOM 0 HA ILE A 665 0.016 1.169 0.469 1.00 0.24 H new ATOM 0 HB ILE A 665 -1.620 -0.427 -0.135 1.00 0.24 H new ATOM 0 HG12 ILE A 665 1.035 -1.902 0.039 1.00 0.29 H new ATOM 0 HG13 ILE A 665 0.229 -1.159 1.406 1.00 0.29 H new ATOM 0 HG21 ILE A 665 -1.229 -2.165 -1.854 1.00 0.23 H new ATOM 0 HG22 ILE A 665 -1.243 -0.526 -2.547 1.00 0.23 H new ATOM 0 HG23 ILE A 665 0.303 -1.369 -2.288 1.00 0.23 H new ATOM 0 HD11 ILE A 665 -0.234 -3.562 1.316 1.00 0.38 H new ATOM 0 HD12 ILE A 665 -1.728 -2.628 1.067 1.00 0.38 H new ATOM 0 HD13 ILE A 665 -0.909 -3.383 -0.321 1.00 0.38 H new ATOM 736 N VAL A 666 1.925 0.512 -2.126 1.00 0.24 N ATOM 737 CA VAL A 666 3.302 0.413 -2.577 1.00 0.27 C ATOM 738 C VAL A 666 4.138 1.598 -2.073 1.00 0.31 C ATOM 739 O VAL A 666 5.214 1.412 -1.507 1.00 0.40 O ATOM 740 CB VAL A 666 3.363 0.345 -4.119 1.00 0.27 C ATOM 741 CG1 VAL A 666 4.793 0.396 -4.613 1.00 0.34 C ATOM 742 CG2 VAL A 666 2.683 -0.916 -4.624 1.00 0.26 C ATOM 0 H VAL A 666 1.240 0.563 -2.880 1.00 0.24 H new ATOM 0 HA VAL A 666 3.721 -0.504 -2.163 1.00 0.27 H new ATOM 0 HB VAL A 666 2.835 1.214 -4.511 1.00 0.27 H new ATOM 0 HG11 VAL A 666 4.804 0.346 -5.702 1.00 0.34 H new ATOM 0 HG12 VAL A 666 5.257 1.327 -4.288 1.00 0.34 H new ATOM 0 HG13 VAL A 666 5.349 -0.448 -4.206 1.00 0.34 H new ATOM 0 HG21 VAL A 666 2.736 -0.947 -5.712 1.00 0.26 H new ATOM 0 HG22 VAL A 666 3.186 -1.791 -4.211 1.00 0.26 H new ATOM 0 HG23 VAL A 666 1.639 -0.917 -4.311 1.00 0.26 H new ATOM 752 N LYS A 667 3.632 2.812 -2.280 1.00 0.31 N ATOM 753 CA LYS A 667 4.364 4.026 -1.918 1.00 0.38 C ATOM 754 C LYS A 667 4.346 4.310 -0.409 1.00 0.31 C ATOM 755 O LYS A 667 5.382 4.583 0.189 1.00 0.37 O ATOM 756 CB LYS A 667 3.807 5.226 -2.694 1.00 0.53 C ATOM 757 CG LYS A 667 4.386 6.569 -2.266 1.00 0.94 C ATOM 758 CD LYS A 667 5.908 6.578 -2.303 1.00 1.55 C ATOM 759 CE LYS A 667 6.458 7.893 -1.779 1.00 2.46 C ATOM 760 NZ LYS A 667 7.938 7.871 -1.625 1.00 3.48 N ATOM 0 H LYS A 667 2.717 2.982 -2.697 1.00 0.31 H new ATOM 0 HA LYS A 667 5.406 3.862 -2.191 1.00 0.38 H new ATOM 0 HB2 LYS A 667 4.003 5.080 -3.756 1.00 0.53 H new ATOM 0 HB3 LYS A 667 2.724 5.254 -2.570 1.00 0.53 H new ATOM 0 HG2 LYS A 667 4.004 7.352 -2.920 1.00 0.94 H new ATOM 0 HG3 LYS A 667 4.048 6.803 -1.257 1.00 0.94 H new ATOM 0 HD2 LYS A 667 6.295 5.754 -1.704 1.00 1.55 H new ATOM 0 HD3 LYS A 667 6.251 6.418 -3.325 1.00 1.55 H new ATOM 0 HE2 LYS A 667 6.179 8.697 -2.460 1.00 2.46 H new ATOM 0 HE3 LYS A 667 5.999 8.117 -0.816 1.00 2.46 H new ATOM 0 HZ1 LYS A 667 8.316 8.829 -1.768 1.00 3.48 H new ATOM 0 HZ2 LYS A 667 8.183 7.541 -0.669 1.00 3.48 H new ATOM 0 HZ3 LYS A 667 8.351 7.227 -2.330 1.00 3.48 H new ATOM 774 N ILE A 668 3.176 4.258 0.206 1.00 0.25 N ATOM 775 CA ILE A 668 3.042 4.653 1.602 1.00 0.26 C ATOM 776 C ILE A 668 3.790 3.689 2.521 1.00 0.27 C ATOM 777 O ILE A 668 4.413 4.118 3.492 1.00 0.32 O ATOM 778 CB ILE A 668 1.557 4.785 2.049 1.00 0.30 C ATOM 779 CG1 ILE A 668 1.458 5.584 3.352 1.00 1.14 C ATOM 780 CG2 ILE A 668 0.898 3.422 2.229 1.00 0.87 C ATOM 781 CD1 ILE A 668 1.920 7.019 3.218 1.00 1.73 C ATOM 0 H ILE A 668 2.309 3.949 -0.234 1.00 0.25 H new ATOM 0 HA ILE A 668 3.493 5.642 1.686 1.00 0.26 H new ATOM 0 HB ILE A 668 1.027 5.315 1.258 1.00 0.30 H new ATOM 0 HG12 ILE A 668 0.424 5.574 3.697 1.00 1.14 H new ATOM 0 HG13 ILE A 668 2.054 5.089 4.118 1.00 1.14 H new ATOM 0 HG21 ILE A 668 -0.138 3.557 2.541 1.00 0.87 H new ATOM 0 HG22 ILE A 668 0.924 2.878 1.285 1.00 0.87 H new ATOM 0 HG23 ILE A 668 1.435 2.856 2.990 1.00 0.87 H new ATOM 0 HD11 ILE A 668 1.822 7.524 4.179 1.00 1.73 H new ATOM 0 HD12 ILE A 668 2.963 7.037 2.903 1.00 1.73 H new ATOM 0 HD13 ILE A 668 1.308 7.530 2.475 1.00 1.73 H new ATOM 793 N LEU A 669 3.749 2.395 2.207 1.00 0.25 N ATOM 794 CA LEU A 669 4.351 1.394 3.075 1.00 0.29 C ATOM 795 C LEU A 669 5.867 1.559 3.120 1.00 0.30 C ATOM 796 O LEU A 669 6.461 1.486 4.190 1.00 0.37 O ATOM 797 CB LEU A 669 3.962 -0.023 2.638 1.00 0.29 C ATOM 798 CG LEU A 669 3.664 -0.999 3.785 1.00 0.35 C ATOM 799 CD1 LEU A 669 3.011 -2.263 3.252 1.00 0.37 C ATOM 800 CD2 LEU A 669 4.932 -1.346 4.555 1.00 0.39 C ATOM 0 H LEU A 669 3.309 2.021 1.366 1.00 0.25 H new ATOM 0 HA LEU A 669 3.965 1.546 4.083 1.00 0.29 H new ATOM 0 HB2 LEU A 669 3.083 0.040 1.997 1.00 0.29 H new ATOM 0 HB3 LEU A 669 4.769 -0.434 2.032 1.00 0.29 H new ATOM 0 HG LEU A 669 2.973 -0.508 4.471 1.00 0.35 H new ATOM 0 HD11 LEU A 669 2.807 -2.943 4.079 1.00 0.37 H new ATOM 0 HD12 LEU A 669 2.076 -2.007 2.753 1.00 0.37 H new ATOM 0 HD13 LEU A 669 3.681 -2.747 2.541 1.00 0.37 H new ATOM 0 HD21 LEU A 669 4.690 -2.039 5.361 1.00 0.39 H new ATOM 0 HD22 LEU A 669 5.651 -1.811 3.881 1.00 0.39 H new ATOM 0 HD23 LEU A 669 5.363 -0.437 4.975 1.00 0.39 H new ATOM 812 N THR A 670 6.493 1.819 1.973 1.00 0.27 N ATOM 813 CA THR A 670 7.937 2.027 1.948 1.00 0.30 C ATOM 814 C THR A 670 8.323 3.295 2.704 1.00 0.33 C ATOM 815 O THR A 670 9.374 3.349 3.339 1.00 0.37 O ATOM 816 CB THR A 670 8.520 2.075 0.515 1.00 0.33 C ATOM 817 OG1 THR A 670 9.898 2.456 0.564 1.00 0.34 O ATOM 818 CG2 THR A 670 7.771 3.044 -0.379 1.00 0.37 C ATOM 0 H THR A 670 6.032 1.889 1.066 1.00 0.27 H new ATOM 0 HA THR A 670 8.371 1.160 2.446 1.00 0.30 H new ATOM 0 HB THR A 670 8.414 1.076 0.092 1.00 0.33 H new ATOM 0 HG1 THR A 670 10.453 1.660 0.699 1.00 0.34 H new ATOM 0 HG21 THR A 670 8.218 3.042 -1.373 1.00 0.37 H new ATOM 0 HG22 THR A 670 6.726 2.741 -0.450 1.00 0.37 H new ATOM 0 HG23 THR A 670 7.829 4.047 0.043 1.00 0.37 H new ATOM 826 N THR A 671 7.467 4.310 2.654 1.00 0.36 N ATOM 827 CA THR A 671 7.704 5.528 3.409 1.00 0.43 C ATOM 828 C THR A 671 7.597 5.251 4.913 1.00 0.45 C ATOM 829 O THR A 671 8.332 5.828 5.717 1.00 0.48 O ATOM 830 CB THR A 671 6.716 6.636 2.990 1.00 0.55 C ATOM 831 OG1 THR A 671 6.817 6.859 1.575 1.00 0.61 O ATOM 832 CG2 THR A 671 6.998 7.936 3.729 1.00 0.64 C ATOM 0 H THR A 671 6.609 4.311 2.102 1.00 0.36 H new ATOM 0 HA THR A 671 8.714 5.876 3.190 1.00 0.43 H new ATOM 0 HB THR A 671 5.708 6.309 3.246 1.00 0.55 H new ATOM 0 HG1 THR A 671 7.745 6.726 1.288 1.00 0.61 H new ATOM 0 HG21 THR A 671 6.285 8.697 3.412 1.00 0.64 H new ATOM 0 HG22 THR A 671 6.901 7.773 4.802 1.00 0.64 H new ATOM 0 HG23 THR A 671 8.010 8.271 3.503 1.00 0.64 H new ATOM 840 N LYS A 672 6.693 4.348 5.286 1.00 0.48 N ATOM 841 CA LYS A 672 6.556 3.927 6.678 1.00 0.58 C ATOM 842 C LYS A 672 7.780 3.123 7.103 1.00 0.51 C ATOM 843 O LYS A 672 8.339 3.341 8.178 1.00 0.56 O ATOM 844 CB LYS A 672 5.293 3.082 6.869 1.00 0.74 C ATOM 845 CG LYS A 672 3.999 3.821 6.568 1.00 1.19 C ATOM 846 CD LYS A 672 2.795 2.907 6.726 1.00 1.39 C ATOM 847 CE LYS A 672 1.491 3.624 6.414 1.00 1.74 C ATOM 848 NZ LYS A 672 1.179 4.698 7.395 1.00 2.10 N ATOM 0 H LYS A 672 6.044 3.894 4.643 1.00 0.48 H new ATOM 0 HA LYS A 672 6.475 4.820 7.298 1.00 0.58 H new ATOM 0 HB2 LYS A 672 5.356 2.204 6.226 1.00 0.74 H new ATOM 0 HB3 LYS A 672 5.262 2.722 7.897 1.00 0.74 H new ATOM 0 HG2 LYS A 672 3.901 4.675 7.238 1.00 1.19 H new ATOM 0 HG3 LYS A 672 4.030 4.214 5.552 1.00 1.19 H new ATOM 0 HD2 LYS A 672 2.903 2.047 6.065 1.00 1.39 H new ATOM 0 HD3 LYS A 672 2.763 2.523 7.746 1.00 1.39 H new ATOM 0 HE2 LYS A 672 1.548 4.055 5.415 1.00 1.74 H new ATOM 0 HE3 LYS A 672 0.676 2.900 6.402 1.00 1.74 H new ATOM 0 HZ1 LYS A 672 0.234 5.086 7.197 1.00 2.10 H new ATOM 0 HZ2 LYS A 672 1.197 4.305 8.358 1.00 2.10 H new ATOM 0 HZ3 LYS A 672 1.887 5.456 7.317 1.00 2.10 H new ATOM 862 N GLU A 673 8.193 2.203 6.236 1.00 0.46 N ATOM 863 CA GLU A 673 9.380 1.385 6.465 1.00 0.54 C ATOM 864 C GLU A 673 10.615 2.264 6.634 1.00 0.40 C ATOM 865 O GLU A 673 11.437 2.029 7.517 1.00 0.38 O ATOM 866 CB GLU A 673 9.599 0.430 5.290 1.00 0.79 C ATOM 867 CG GLU A 673 8.483 -0.581 5.090 1.00 0.39 C ATOM 868 CD GLU A 673 8.480 -1.673 6.137 1.00 0.66 C ATOM 869 OE1 GLU A 673 9.390 -2.529 6.133 1.00 1.30 O ATOM 870 OE2 GLU A 673 7.569 -1.673 6.989 1.00 1.22 O ATOM 0 H GLU A 673 7.716 2.004 5.357 1.00 0.46 H new ATOM 0 HA GLU A 673 9.223 0.810 7.378 1.00 0.54 H new ATOM 0 HB2 GLU A 673 9.711 1.015 4.377 1.00 0.79 H new ATOM 0 HB3 GLU A 673 10.536 -0.106 5.442 1.00 0.79 H new ATOM 0 HG2 GLU A 673 7.524 -0.064 5.110 1.00 0.39 H new ATOM 0 HG3 GLU A 673 8.582 -1.032 4.103 1.00 0.39 H new ATOM 877 N LEU A 674 10.731 3.279 5.783 1.00 0.37 N ATOM 878 CA LEU A 674 11.872 4.188 5.812 1.00 0.38 C ATOM 879 C LEU A 674 11.789 5.132 7.006 1.00 0.38 C ATOM 880 O LEU A 674 12.797 5.688 7.441 1.00 0.44 O ATOM 881 CB LEU A 674 11.943 4.985 4.510 1.00 0.48 C ATOM 882 CG LEU A 674 13.331 5.066 3.871 1.00 0.56 C ATOM 883 CD1 LEU A 674 13.890 3.670 3.635 1.00 0.85 C ATOM 884 CD2 LEU A 674 13.261 5.832 2.563 1.00 1.06 C ATOM 0 H LEU A 674 10.044 3.493 5.060 1.00 0.37 H new ATOM 0 HA LEU A 674 12.780 3.593 5.914 1.00 0.38 H new ATOM 0 HB2 LEU A 674 11.255 4.539 3.792 1.00 0.48 H new ATOM 0 HB3 LEU A 674 11.590 5.998 4.703 1.00 0.48 H new ATOM 0 HG LEU A 674 13.997 5.595 4.553 1.00 0.56 H new ATOM 0 HD11 LEU A 674 14.878 3.746 3.180 1.00 0.85 H new ATOM 0 HD12 LEU A 674 13.968 3.144 4.586 1.00 0.85 H new ATOM 0 HD13 LEU A 674 13.225 3.120 2.969 1.00 0.85 H new ATOM 0 HD21 LEU A 674 14.255 5.883 2.118 1.00 1.06 H new ATOM 0 HD22 LEU A 674 12.582 5.323 1.879 1.00 1.06 H new ATOM 0 HD23 LEU A 674 12.896 6.841 2.752 1.00 1.06 H new ATOM 896 N LYS A 675 10.586 5.318 7.532 1.00 0.39 N ATOM 897 CA LYS A 675 10.410 6.110 8.738 1.00 0.48 C ATOM 898 C LYS A 675 10.848 5.290 9.946 1.00 0.48 C ATOM 899 O LYS A 675 11.315 5.835 10.950 1.00 0.57 O ATOM 900 CB LYS A 675 8.951 6.544 8.898 1.00 0.59 C ATOM 901 CG LYS A 675 8.747 7.604 9.966 1.00 1.04 C ATOM 902 CD LYS A 675 7.275 7.918 10.171 1.00 1.53 C ATOM 903 CE LYS A 675 6.536 6.752 10.811 1.00 2.44 C ATOM 904 NZ LYS A 675 5.093 7.048 10.990 1.00 3.00 N ATOM 0 H LYS A 675 9.724 4.934 7.145 1.00 0.39 H new ATOM 0 HA LYS A 675 11.022 7.008 8.662 1.00 0.48 H new ATOM 0 HB2 LYS A 675 8.587 6.926 7.944 1.00 0.59 H new ATOM 0 HB3 LYS A 675 8.346 5.671 9.143 1.00 0.59 H new ATOM 0 HG2 LYS A 675 9.181 7.262 10.906 1.00 1.04 H new ATOM 0 HG3 LYS A 675 9.277 8.513 9.682 1.00 1.04 H new ATOM 0 HD2 LYS A 675 7.176 8.802 10.801 1.00 1.53 H new ATOM 0 HD3 LYS A 675 6.817 8.157 9.211 1.00 1.53 H new ATOM 0 HE2 LYS A 675 6.651 5.864 10.190 1.00 2.44 H new ATOM 0 HE3 LYS A 675 6.984 6.525 11.779 1.00 2.44 H new ATOM 0 HZ1 LYS A 675 4.623 6.231 11.429 1.00 3.00 H new ATOM 0 HZ2 LYS A 675 4.983 7.881 11.603 1.00 3.00 H new ATOM 0 HZ3 LYS A 675 4.661 7.240 10.064 1.00 3.00 H new ATOM 918 N LYS A 676 10.682 3.976 9.836 1.00 0.43 N ATOM 919 CA LYS A 676 11.142 3.051 10.863 1.00 0.48 C ATOM 920 C LYS A 676 12.656 2.866 10.768 1.00 0.42 C ATOM 921 O LYS A 676 13.379 3.088 11.739 1.00 0.50 O ATOM 922 CB LYS A 676 10.421 1.708 10.710 1.00 0.55 C ATOM 923 CG LYS A 676 10.867 0.648 11.702 1.00 1.42 C ATOM 924 CD LYS A 676 9.945 -0.560 11.683 1.00 1.94 C ATOM 925 CE LYS A 676 8.538 -0.194 12.136 1.00 2.50 C ATOM 926 NZ LYS A 676 8.528 0.376 13.510 1.00 3.41 N ATOM 0 H LYS A 676 10.229 3.527 9.040 1.00 0.43 H new ATOM 0 HA LYS A 676 10.910 3.462 11.846 1.00 0.48 H new ATOM 0 HB2 LYS A 676 9.349 1.868 10.824 1.00 0.55 H new ATOM 0 HB3 LYS A 676 10.582 1.335 9.699 1.00 0.55 H new ATOM 0 HG2 LYS A 676 11.884 0.334 11.467 1.00 1.42 H new ATOM 0 HG3 LYS A 676 10.889 1.074 12.705 1.00 1.42 H new ATOM 0 HD2 LYS A 676 9.908 -0.975 10.676 1.00 1.94 H new ATOM 0 HD3 LYS A 676 10.347 -1.337 12.333 1.00 1.94 H new ATOM 0 HE2 LYS A 676 8.109 0.527 11.441 1.00 2.50 H new ATOM 0 HE3 LYS A 676 7.905 -1.081 12.106 1.00 2.50 H new ATOM 0 HZ1 LYS A 676 7.551 0.407 13.866 1.00 3.41 H new ATOM 0 HZ2 LYS A 676 9.106 -0.219 14.137 1.00 3.41 H new ATOM 0 HZ3 LYS A 676 8.919 1.339 13.489 1.00 3.41 H new ATOM 940 N ASP A 677 13.123 2.483 9.586 1.00 0.37 N ATOM 941 CA ASP A 677 14.552 2.385 9.305 1.00 0.44 C ATOM 942 C ASP A 677 14.860 3.244 8.091 1.00 0.38 C ATOM 943 O ASP A 677 14.337 2.990 7.009 1.00 0.33 O ATOM 944 CB ASP A 677 14.991 0.946 9.002 1.00 0.60 C ATOM 945 CG ASP A 677 14.788 -0.042 10.139 1.00 1.40 C ATOM 946 OD1 ASP A 677 14.528 0.373 11.282 1.00 2.13 O ATOM 947 OD2 ASP A 677 14.881 -1.260 9.877 1.00 1.68 O ATOM 0 H ASP A 677 12.526 2.232 8.798 1.00 0.37 H new ATOM 0 HA ASP A 677 15.092 2.721 10.191 1.00 0.44 H new ATOM 0 HB2 ASP A 677 14.442 0.591 8.130 1.00 0.60 H new ATOM 0 HB3 ASP A 677 16.047 0.954 8.732 1.00 0.60 H new ATOM 952 N SER A 678 15.726 4.231 8.254 1.00 0.47 N ATOM 953 CA SER A 678 15.954 5.231 7.216 1.00 0.52 C ATOM 954 C SER A 678 16.644 4.636 5.994 1.00 0.47 C ATOM 955 O SER A 678 16.690 5.255 4.929 1.00 0.52 O ATOM 956 CB SER A 678 16.783 6.387 7.779 1.00 0.72 C ATOM 957 OG SER A 678 17.948 5.906 8.436 1.00 0.83 O ATOM 0 H SER A 678 16.285 4.364 9.097 1.00 0.47 H new ATOM 0 HA SER A 678 14.981 5.602 6.894 1.00 0.52 H new ATOM 0 HB2 SER A 678 17.069 7.061 6.972 1.00 0.72 H new ATOM 0 HB3 SER A 678 16.179 6.965 8.478 1.00 0.72 H new ATOM 0 HG SER A 678 18.462 6.663 8.786 1.00 0.83 H new ATOM 963 N SER A 679 17.191 3.445 6.147 1.00 0.45 N ATOM 964 CA SER A 679 17.829 2.763 5.041 1.00 0.48 C ATOM 965 C SER A 679 17.712 1.252 5.201 1.00 0.42 C ATOM 966 O SER A 679 18.719 0.550 5.307 1.00 0.58 O ATOM 967 CB SER A 679 19.299 3.177 4.935 1.00 0.64 C ATOM 968 OG SER A 679 19.422 4.575 4.710 1.00 1.54 O ATOM 0 H SER A 679 17.206 2.931 7.028 1.00 0.45 H new ATOM 0 HA SER A 679 17.320 3.050 4.121 1.00 0.48 H new ATOM 0 HB2 SER A 679 19.823 2.905 5.851 1.00 0.64 H new ATOM 0 HB3 SER A 679 19.776 2.631 4.121 1.00 0.64 H new ATOM 0 HG SER A 679 20.370 4.814 4.648 1.00 1.54 H new ATOM 974 N ARG A 680 16.484 0.753 5.246 1.00 0.35 N ATOM 975 CA ARG A 680 16.263 -0.674 5.251 1.00 0.45 C ATOM 976 C ARG A 680 15.994 -1.167 3.841 1.00 0.34 C ATOM 977 O ARG A 680 14.989 -0.804 3.223 1.00 0.34 O ATOM 978 CB ARG A 680 15.120 -1.069 6.182 1.00 0.64 C ATOM 979 CG ARG A 680 13.794 -0.405 5.885 1.00 0.66 C ATOM 980 CD ARG A 680 12.651 -1.201 6.491 1.00 1.09 C ATOM 981 NE ARG A 680 12.861 -1.456 7.916 1.00 1.07 N ATOM 982 CZ ARG A 680 11.993 -2.069 8.714 1.00 1.63 C ATOM 983 NH1 ARG A 680 10.818 -2.481 8.264 1.00 2.62 N ATOM 984 NH2 ARG A 680 12.305 -2.268 9.982 1.00 1.71 N ATOM 0 H ARG A 680 15.635 1.317 5.279 1.00 0.35 H new ATOM 0 HA ARG A 680 17.169 -1.148 5.629 1.00 0.45 H new ATOM 0 HB2 ARG A 680 14.987 -2.150 6.131 1.00 0.64 H new ATOM 0 HB3 ARG A 680 15.407 -0.831 7.206 1.00 0.64 H new ATOM 0 HG2 ARG A 680 13.791 0.609 6.285 1.00 0.66 H new ATOM 0 HG3 ARG A 680 13.656 -0.322 4.807 1.00 0.66 H new ATOM 0 HD2 ARG A 680 11.716 -0.657 6.353 1.00 1.09 H new ATOM 0 HD3 ARG A 680 12.549 -2.149 5.963 1.00 1.09 H new ATOM 0 HE ARG A 680 13.739 -1.140 8.328 1.00 1.07 H new ATOM 0 HH11 ARG A 680 10.564 -2.330 7.288 1.00 2.62 H new ATOM 0 HH12 ARG A 680 10.166 -2.950 8.894 1.00 2.62 H new ATOM 0 HH21 ARG A 680 13.206 -1.952 10.341 1.00 1.71 H new ATOM 0 HH22 ARG A 680 11.645 -2.738 10.602 1.00 1.71 H new ATOM 998 N ALA A 681 16.928 -1.945 3.320 1.00 0.36 N ATOM 999 CA ALA A 681 16.755 -2.595 2.031 1.00 0.31 C ATOM 1000 C ALA A 681 15.517 -3.481 2.061 1.00 0.27 C ATOM 1001 O ALA A 681 15.275 -4.187 3.042 1.00 0.34 O ATOM 1002 CB ALA A 681 17.989 -3.411 1.674 1.00 0.40 C ATOM 0 H ALA A 681 17.820 -2.143 3.773 1.00 0.36 H new ATOM 0 HA ALA A 681 16.622 -1.830 1.266 1.00 0.31 H new ATOM 0 HB1 ALA A 681 17.841 -3.890 0.706 1.00 0.40 H new ATOM 0 HB2 ALA A 681 18.858 -2.754 1.625 1.00 0.40 H new ATOM 0 HB3 ALA A 681 18.153 -4.174 2.435 1.00 0.40 H new ATOM 1008 N PRO A 682 14.717 -3.446 0.991 1.00 0.24 N ATOM 1009 CA PRO A 682 13.445 -4.163 0.930 1.00 0.23 C ATOM 1010 C PRO A 682 13.635 -5.667 0.940 1.00 0.25 C ATOM 1011 O PRO A 682 14.509 -6.187 0.242 1.00 0.31 O ATOM 1012 CB PRO A 682 12.837 -3.733 -0.415 1.00 0.27 C ATOM 1013 CG PRO A 682 13.633 -2.555 -0.857 1.00 0.29 C ATOM 1014 CD PRO A 682 14.994 -2.722 -0.257 1.00 0.31 C ATOM 0 HA PRO A 682 12.819 -3.932 1.792 1.00 0.23 H new ATOM 0 HB2 PRO A 682 12.892 -4.540 -1.146 1.00 0.27 H new ATOM 0 HB3 PRO A 682 11.784 -3.475 -0.304 1.00 0.27 H new ATOM 0 HG2 PRO A 682 13.690 -2.510 -1.945 1.00 0.29 H new ATOM 0 HG3 PRO A 682 13.172 -1.626 -0.523 1.00 0.29 H new ATOM 0 HD2 PRO A 682 15.658 -3.286 -0.912 1.00 0.31 H new ATOM 0 HD3 PRO A 682 15.473 -1.761 -0.069 1.00 0.31 H new ATOM 1022 N PRO A 683 12.841 -6.388 1.753 1.00 0.25 N ATOM 1023 CA PRO A 683 12.744 -7.838 1.640 1.00 0.27 C ATOM 1024 C PRO A 683 12.397 -8.192 0.209 1.00 0.29 C ATOM 1025 O PRO A 683 11.589 -7.517 -0.418 1.00 0.38 O ATOM 1026 CB PRO A 683 11.596 -8.198 2.586 1.00 0.32 C ATOM 1027 CG PRO A 683 11.557 -7.088 3.578 1.00 0.38 C ATOM 1028 CD PRO A 683 11.992 -5.853 2.835 1.00 0.28 C ATOM 0 HA PRO A 683 13.663 -8.367 1.891 1.00 0.27 H new ATOM 0 HB2 PRO A 683 10.652 -8.281 2.048 1.00 0.32 H new ATOM 0 HB3 PRO A 683 11.771 -9.157 3.073 1.00 0.32 H new ATOM 0 HG2 PRO A 683 10.554 -6.965 3.987 1.00 0.38 H new ATOM 0 HG3 PRO A 683 12.221 -7.292 4.418 1.00 0.38 H new ATOM 0 HD2 PRO A 683 11.140 -5.300 2.441 1.00 0.28 H new ATOM 0 HD3 PRO A 683 12.545 -5.170 3.480 1.00 0.28 H new ATOM 1036 N ASP A 684 13.025 -9.225 -0.320 1.00 0.37 N ATOM 1037 CA ASP A 684 12.931 -9.496 -1.745 1.00 0.47 C ATOM 1038 C ASP A 684 11.556 -10.018 -2.124 1.00 0.37 C ATOM 1039 O ASP A 684 11.087 -9.785 -3.236 1.00 0.40 O ATOM 1040 CB ASP A 684 14.009 -10.484 -2.184 1.00 0.70 C ATOM 1041 CG ASP A 684 14.046 -10.644 -3.689 1.00 1.52 C ATOM 1042 OD1 ASP A 684 14.503 -9.715 -4.386 1.00 2.24 O ATOM 1043 OD2 ASP A 684 13.612 -11.707 -4.189 1.00 2.04 O ATOM 0 H ASP A 684 13.599 -9.884 0.206 1.00 0.37 H new ATOM 0 HA ASP A 684 13.089 -8.551 -2.266 1.00 0.47 H new ATOM 0 HB2 ASP A 684 14.982 -10.141 -1.831 1.00 0.70 H new ATOM 0 HB3 ASP A 684 13.825 -11.453 -1.720 1.00 0.70 H new ATOM 1048 N ASP A 685 10.917 -10.737 -1.214 1.00 0.36 N ATOM 1049 CA ASP A 685 9.597 -11.289 -1.484 1.00 0.39 C ATOM 1050 C ASP A 685 8.726 -11.308 -0.234 1.00 0.34 C ATOM 1051 O ASP A 685 9.187 -11.058 0.882 1.00 0.31 O ATOM 1052 CB ASP A 685 9.744 -12.691 -2.082 1.00 0.61 C ATOM 1053 CG ASP A 685 8.427 -13.333 -2.469 1.00 1.11 C ATOM 1054 OD1 ASP A 685 7.593 -12.659 -3.109 1.00 1.95 O ATOM 1055 OD2 ASP A 685 8.217 -14.514 -2.112 1.00 1.54 O ATOM 0 H ASP A 685 11.287 -10.951 -0.288 1.00 0.36 H new ATOM 0 HA ASP A 685 9.092 -10.646 -2.205 1.00 0.39 H new ATOM 0 HB2 ASP A 685 10.383 -12.635 -2.963 1.00 0.61 H new ATOM 0 HB3 ASP A 685 10.252 -13.332 -1.361 1.00 0.61 H new ATOM 1060 N LEU A 686 7.460 -11.595 -0.469 1.00 0.39 N ATOM 1061 CA LEU A 686 6.424 -11.602 0.541 1.00 0.39 C ATOM 1062 C LEU A 686 6.634 -12.771 1.507 1.00 0.40 C ATOM 1063 O LEU A 686 6.217 -13.902 1.245 1.00 0.47 O ATOM 1064 CB LEU A 686 5.084 -11.691 -0.205 1.00 0.51 C ATOM 1065 CG LEU A 686 3.823 -11.341 0.578 1.00 0.50 C ATOM 1066 CD1 LEU A 686 3.284 -12.572 1.267 1.00 1.27 C ATOM 1067 CD2 LEU A 686 4.095 -10.218 1.571 1.00 0.94 C ATOM 0 H LEU A 686 7.115 -11.837 -1.398 1.00 0.39 H new ATOM 0 HA LEU A 686 6.445 -10.699 1.152 1.00 0.39 H new ATOM 0 HB2 LEU A 686 5.136 -11.033 -1.072 1.00 0.51 H new ATOM 0 HB3 LEU A 686 4.975 -12.708 -0.583 1.00 0.51 H new ATOM 0 HG LEU A 686 3.065 -10.981 -0.117 1.00 0.50 H new ATOM 0 HD11 LEU A 686 2.384 -12.312 1.824 1.00 1.27 H new ATOM 0 HD12 LEU A 686 3.044 -13.330 0.522 1.00 1.27 H new ATOM 0 HD13 LEU A 686 4.035 -12.963 1.954 1.00 1.27 H new ATOM 0 HD21 LEU A 686 3.181 -9.986 2.117 1.00 0.94 H new ATOM 0 HD22 LEU A 686 4.868 -10.532 2.273 1.00 0.94 H new ATOM 0 HD23 LEU A 686 4.432 -9.331 1.034 1.00 0.94 H new ATOM 1079 N THR A 687 7.298 -12.480 2.620 1.00 0.40 N ATOM 1080 CA THR A 687 7.592 -13.483 3.630 1.00 0.47 C ATOM 1081 C THR A 687 6.363 -13.748 4.489 1.00 0.42 C ATOM 1082 O THR A 687 5.396 -12.992 4.418 1.00 0.46 O ATOM 1083 CB THR A 687 8.766 -13.040 4.527 1.00 0.58 C ATOM 1084 OG1 THR A 687 8.455 -11.791 5.158 1.00 0.76 O ATOM 1085 CG2 THR A 687 10.047 -12.890 3.719 1.00 1.00 C ATOM 0 H THR A 687 7.645 -11.547 2.844 1.00 0.40 H new ATOM 0 HA THR A 687 7.876 -14.401 3.115 1.00 0.47 H new ATOM 0 HB THR A 687 8.920 -13.809 5.284 1.00 0.58 H new ATOM 0 HG1 THR A 687 9.204 -11.517 5.727 1.00 0.76 H new ATOM 0 HG21 THR A 687 10.858 -12.577 4.377 1.00 1.00 H new ATOM 0 HG22 THR A 687 10.301 -13.845 3.259 1.00 1.00 H new ATOM 0 HG23 THR A 687 9.901 -12.140 2.941 1.00 1.00 H new ATOM 1093 N LYS A 688 6.388 -14.792 5.307 1.00 0.42 N ATOM 1094 CA LYS A 688 5.213 -15.144 6.096 1.00 0.41 C ATOM 1095 C LYS A 688 4.881 -14.036 7.100 1.00 0.35 C ATOM 1096 O LYS A 688 3.713 -13.775 7.388 1.00 0.34 O ATOM 1097 CB LYS A 688 5.394 -16.502 6.807 1.00 0.54 C ATOM 1098 CG LYS A 688 6.027 -16.445 8.197 1.00 1.39 C ATOM 1099 CD LYS A 688 7.516 -16.144 8.156 1.00 1.84 C ATOM 1100 CE LYS A 688 8.135 -16.232 9.544 1.00 2.44 C ATOM 1101 NZ LYS A 688 7.521 -15.266 10.496 1.00 2.94 N ATOM 0 H LYS A 688 7.195 -15.402 5.441 1.00 0.42 H new ATOM 0 HA LYS A 688 4.372 -15.245 5.411 1.00 0.41 H new ATOM 0 HB2 LYS A 688 4.418 -16.979 6.892 1.00 0.54 H new ATOM 0 HB3 LYS A 688 6.008 -17.143 6.175 1.00 0.54 H new ATOM 0 HG2 LYS A 688 5.523 -15.681 8.789 1.00 1.39 H new ATOM 0 HG3 LYS A 688 5.868 -17.397 8.703 1.00 1.39 H new ATOM 0 HD2 LYS A 688 8.013 -16.847 7.488 1.00 1.84 H new ATOM 0 HD3 LYS A 688 7.677 -15.147 7.746 1.00 1.84 H new ATOM 0 HE2 LYS A 688 8.016 -17.245 9.929 1.00 2.44 H new ATOM 0 HE3 LYS A 688 9.206 -16.041 9.475 1.00 2.44 H new ATOM 0 HZ1 LYS A 688 8.070 -15.252 11.379 1.00 2.94 H new ATOM 0 HZ2 LYS A 688 7.520 -14.316 10.074 1.00 2.94 H new ATOM 0 HZ3 LYS A 688 6.543 -15.555 10.701 1.00 2.94 H new ATOM 1115 N GLY A 689 5.911 -13.357 7.590 1.00 0.43 N ATOM 1116 CA GLY A 689 5.710 -12.317 8.577 1.00 0.48 C ATOM 1117 C GLY A 689 5.291 -11.008 7.950 1.00 0.39 C ATOM 1118 O GLY A 689 4.348 -10.361 8.414 1.00 0.44 O ATOM 0 H GLY A 689 6.883 -13.509 7.320 1.00 0.43 H new ATOM 0 HA2 GLY A 689 4.949 -12.637 9.289 1.00 0.48 H new ATOM 0 HA3 GLY A 689 6.632 -12.170 9.140 1.00 0.48 H new ATOM 1122 N LYS A 690 5.975 -10.619 6.882 1.00 0.37 N ATOM 1123 CA LYS A 690 5.653 -9.379 6.200 1.00 0.34 C ATOM 1124 C LYS A 690 4.299 -9.505 5.508 1.00 0.23 C ATOM 1125 O LYS A 690 3.620 -8.508 5.277 1.00 0.24 O ATOM 1126 CB LYS A 690 6.741 -9.006 5.188 1.00 0.48 C ATOM 1127 CG LYS A 690 6.812 -7.512 4.897 1.00 0.73 C ATOM 1128 CD LYS A 690 7.241 -6.729 6.131 1.00 0.83 C ATOM 1129 CE LYS A 690 7.189 -5.226 5.903 1.00 0.84 C ATOM 1130 NZ LYS A 690 7.686 -4.470 7.087 1.00 0.95 N ATOM 0 H LYS A 690 6.750 -11.142 6.474 1.00 0.37 H new ATOM 0 HA LYS A 690 5.602 -8.581 6.941 1.00 0.34 H new ATOM 0 HB2 LYS A 690 7.707 -9.341 5.565 1.00 0.48 H new ATOM 0 HB3 LYS A 690 6.559 -9.542 4.256 1.00 0.48 H new ATOM 0 HG2 LYS A 690 7.516 -7.330 4.085 1.00 0.73 H new ATOM 0 HG3 LYS A 690 5.838 -7.158 4.559 1.00 0.73 H new ATOM 0 HD2 LYS A 690 6.594 -6.991 6.968 1.00 0.83 H new ATOM 0 HD3 LYS A 690 8.255 -7.018 6.409 1.00 0.83 H new ATOM 0 HE2 LYS A 690 7.789 -4.970 5.030 1.00 0.84 H new ATOM 0 HE3 LYS A 690 6.164 -4.927 5.684 1.00 0.84 H new ATOM 0 HZ1 LYS A 690 6.998 -3.733 7.342 1.00 0.95 H new ATOM 0 HZ2 LYS A 690 7.808 -5.121 7.889 1.00 0.95 H new ATOM 0 HZ3 LYS A 690 8.599 -4.028 6.858 1.00 0.95 H new ATOM 1144 N ARG A 691 3.913 -10.742 5.192 1.00 0.24 N ATOM 1145 CA ARG A 691 2.596 -11.022 4.637 1.00 0.26 C ATOM 1146 C ARG A 691 1.504 -10.502 5.553 1.00 0.28 C ATOM 1147 O ARG A 691 0.600 -9.801 5.113 1.00 0.34 O ATOM 1148 CB ARG A 691 2.407 -12.523 4.443 1.00 0.40 C ATOM 1149 CG ARG A 691 0.979 -12.914 4.085 1.00 0.53 C ATOM 1150 CD ARG A 691 0.835 -14.412 3.890 1.00 0.76 C ATOM 1151 NE ARG A 691 1.173 -15.167 5.095 1.00 1.38 N ATOM 1152 CZ ARG A 691 1.861 -16.307 5.079 1.00 1.90 C ATOM 1153 NH1 ARG A 691 2.296 -16.801 3.925 1.00 2.02 N ATOM 1154 NH2 ARG A 691 2.120 -16.945 6.212 1.00 2.83 N ATOM 0 H ARG A 691 4.500 -11.567 5.313 1.00 0.24 H new ATOM 0 HA ARG A 691 2.528 -10.517 3.673 1.00 0.26 H new ATOM 0 HB2 ARG A 691 3.078 -12.867 3.656 1.00 0.40 H new ATOM 0 HB3 ARG A 691 2.698 -13.039 5.358 1.00 0.40 H new ATOM 0 HG2 ARG A 691 0.303 -12.584 4.874 1.00 0.53 H new ATOM 0 HG3 ARG A 691 0.679 -12.399 3.173 1.00 0.53 H new ATOM 0 HD2 ARG A 691 -0.190 -14.640 3.597 1.00 0.76 H new ATOM 0 HD3 ARG A 691 1.479 -14.732 3.071 1.00 0.76 H new ATOM 0 HE ARG A 691 0.866 -14.801 5.996 1.00 1.38 H new ATOM 0 HH11 ARG A 691 2.103 -16.307 3.054 1.00 2.02 H new ATOM 0 HH12 ARG A 691 2.823 -17.674 3.910 1.00 2.02 H new ATOM 0 HH21 ARG A 691 1.792 -16.563 7.099 1.00 2.83 H new ATOM 0 HH22 ARG A 691 2.647 -17.818 6.197 1.00 2.83 H new ATOM 1168 N HIS A 692 1.602 -10.831 6.830 1.00 0.31 N ATOM 1169 CA HIS A 692 0.609 -10.388 7.789 1.00 0.41 C ATOM 1170 C HIS A 692 0.716 -8.885 7.989 1.00 0.40 C ATOM 1171 O HIS A 692 -0.284 -8.208 8.194 1.00 0.48 O ATOM 1172 CB HIS A 692 0.761 -11.121 9.125 1.00 0.54 C ATOM 1173 CG HIS A 692 -0.233 -10.677 10.155 1.00 0.90 C ATOM 1174 ND1 HIS A 692 0.133 -10.161 11.373 1.00 1.60 N ATOM 1175 CD2 HIS A 692 -1.586 -10.639 10.123 1.00 1.58 C ATOM 1176 CE1 HIS A 692 -0.947 -9.822 12.048 1.00 1.90 C ATOM 1177 NE2 HIS A 692 -2.009 -10.096 11.312 1.00 1.83 N ATOM 0 H HIS A 692 2.353 -11.399 7.223 1.00 0.31 H new ATOM 0 HA HIS A 692 -0.379 -10.624 7.393 1.00 0.41 H new ATOM 0 HB2 HIS A 692 0.650 -12.193 8.959 1.00 0.54 H new ATOM 0 HB3 HIS A 692 1.769 -10.961 9.508 1.00 0.54 H new ATOM 0 HD2 HIS A 692 -2.216 -10.974 9.312 1.00 1.58 H new ATOM 0 HE1 HIS A 692 -0.961 -9.392 13.038 1.00 1.90 H new ATOM 0 HE2 HIS A 692 -2.979 -9.932 11.581 1.00 1.83 H new ATOM 1186 N LYS A 693 1.933 -8.371 7.899 1.00 0.34 N ATOM 1187 CA LYS A 693 2.179 -6.948 8.068 1.00 0.38 C ATOM 1188 C LYS A 693 1.486 -6.144 6.966 1.00 0.30 C ATOM 1189 O LYS A 693 0.789 -5.169 7.248 1.00 0.35 O ATOM 1190 CB LYS A 693 3.686 -6.672 8.070 1.00 0.45 C ATOM 1191 CG LYS A 693 4.055 -5.252 8.476 1.00 1.15 C ATOM 1192 CD LYS A 693 3.570 -4.921 9.881 1.00 1.51 C ATOM 1193 CE LYS A 693 4.118 -5.895 10.915 1.00 1.69 C ATOM 1194 NZ LYS A 693 3.604 -5.606 12.279 1.00 1.99 N ATOM 0 H LYS A 693 2.770 -8.922 7.709 1.00 0.34 H new ATOM 0 HA LYS A 693 1.764 -6.635 9.026 1.00 0.38 H new ATOM 0 HB2 LYS A 693 4.172 -7.371 8.750 1.00 0.45 H new ATOM 0 HB3 LYS A 693 4.082 -6.869 7.074 1.00 0.45 H new ATOM 0 HG2 LYS A 693 5.137 -5.130 8.427 1.00 1.15 H new ATOM 0 HG3 LYS A 693 3.622 -4.547 7.766 1.00 1.15 H new ATOM 0 HD2 LYS A 693 3.874 -3.907 10.141 1.00 1.51 H new ATOM 0 HD3 LYS A 693 2.480 -4.943 9.903 1.00 1.51 H new ATOM 0 HE2 LYS A 693 3.847 -6.913 10.634 1.00 1.69 H new ATOM 0 HE3 LYS A 693 5.207 -5.844 10.920 1.00 1.69 H new ATOM 0 HZ1 LYS A 693 4.001 -6.292 12.952 1.00 1.99 H new ATOM 0 HZ2 LYS A 693 3.884 -4.644 12.559 1.00 1.99 H new ATOM 0 HZ3 LYS A 693 2.567 -5.679 12.282 1.00 1.99 H new ATOM 1208 N VAL A 694 1.665 -6.567 5.716 1.00 0.22 N ATOM 1209 CA VAL A 694 1.041 -5.884 4.586 1.00 0.20 C ATOM 1210 C VAL A 694 -0.467 -6.159 4.552 1.00 0.22 C ATOM 1211 O VAL A 694 -1.263 -5.263 4.270 1.00 0.25 O ATOM 1212 CB VAL A 694 1.685 -6.276 3.229 1.00 0.19 C ATOM 1213 CG1 VAL A 694 3.174 -5.976 3.243 1.00 0.24 C ATOM 1214 CG2 VAL A 694 1.440 -7.740 2.886 1.00 0.19 C ATOM 0 H VAL A 694 2.234 -7.375 5.462 1.00 0.22 H new ATOM 0 HA VAL A 694 1.209 -4.817 4.731 1.00 0.20 H new ATOM 0 HB VAL A 694 1.209 -5.675 2.454 1.00 0.19 H new ATOM 0 HG11 VAL A 694 3.611 -6.257 2.285 1.00 0.24 H new ATOM 0 HG12 VAL A 694 3.329 -4.911 3.415 1.00 0.24 H new ATOM 0 HG13 VAL A 694 3.652 -6.545 4.040 1.00 0.24 H new ATOM 0 HG21 VAL A 694 1.907 -7.973 1.929 1.00 0.19 H new ATOM 0 HG22 VAL A 694 1.870 -8.373 3.663 1.00 0.19 H new ATOM 0 HG23 VAL A 694 0.368 -7.924 2.820 1.00 0.19 H new ATOM 1224 N LYS A 695 -0.848 -7.395 4.880 1.00 0.22 N ATOM 1225 CA LYS A 695 -2.248 -7.819 4.872 1.00 0.27 C ATOM 1226 C LYS A 695 -3.057 -7.064 5.925 1.00 0.31 C ATOM 1227 O LYS A 695 -4.133 -6.543 5.641 1.00 0.36 O ATOM 1228 CB LYS A 695 -2.330 -9.322 5.160 1.00 0.30 C ATOM 1229 CG LYS A 695 -3.735 -9.902 5.124 1.00 0.98 C ATOM 1230 CD LYS A 695 -3.781 -11.248 5.831 1.00 1.59 C ATOM 1231 CE LYS A 695 -5.140 -11.916 5.704 1.00 2.05 C ATOM 1232 NZ LYS A 695 -5.359 -12.487 4.350 1.00 2.49 N ATOM 0 H LYS A 695 -0.196 -8.128 5.158 1.00 0.22 H new ATOM 0 HA LYS A 695 -2.664 -7.600 3.889 1.00 0.27 H new ATOM 0 HB2 LYS A 695 -1.715 -9.851 4.432 1.00 0.30 H new ATOM 0 HB3 LYS A 695 -1.898 -9.514 6.142 1.00 0.30 H new ATOM 0 HG2 LYS A 695 -4.431 -9.212 5.601 1.00 0.98 H new ATOM 0 HG3 LYS A 695 -4.059 -10.018 4.090 1.00 0.98 H new ATOM 0 HD2 LYS A 695 -3.016 -11.902 5.413 1.00 1.59 H new ATOM 0 HD3 LYS A 695 -3.542 -11.111 6.886 1.00 1.59 H new ATOM 0 HE2 LYS A 695 -5.225 -12.707 6.449 1.00 2.05 H new ATOM 0 HE3 LYS A 695 -5.922 -11.189 5.921 1.00 2.05 H new ATOM 0 HZ1 LYS A 695 -6.298 -12.932 4.309 1.00 2.49 H new ATOM 0 HZ2 LYS A 695 -5.304 -11.729 3.640 1.00 2.49 H new ATOM 0 HZ3 LYS A 695 -4.629 -13.200 4.152 1.00 2.49 H new ATOM 1246 N GLU A 696 -2.528 -7.013 7.141 1.00 0.34 N ATOM 1247 CA GLU A 696 -3.226 -6.398 8.266 1.00 0.43 C ATOM 1248 C GLU A 696 -3.340 -4.891 8.062 1.00 0.36 C ATOM 1249 O GLU A 696 -4.384 -4.292 8.327 1.00 0.39 O ATOM 1250 CB GLU A 696 -2.478 -6.697 9.567 1.00 0.55 C ATOM 1251 CG GLU A 696 -3.309 -6.495 10.821 1.00 1.22 C ATOM 1252 CD GLU A 696 -4.459 -7.474 10.924 1.00 1.97 C ATOM 1253 OE1 GLU A 696 -4.216 -8.647 11.270 1.00 2.62 O ATOM 1254 OE2 GLU A 696 -5.610 -7.076 10.644 1.00 2.45 O ATOM 0 H GLU A 696 -1.611 -7.393 7.376 1.00 0.34 H new ATOM 0 HA GLU A 696 -4.231 -6.816 8.327 1.00 0.43 H new ATOM 0 HB2 GLU A 696 -2.124 -7.728 9.541 1.00 0.55 H new ATOM 0 HB3 GLU A 696 -1.596 -6.058 9.622 1.00 0.55 H new ATOM 0 HG2 GLU A 696 -2.669 -6.600 11.697 1.00 1.22 H new ATOM 0 HG3 GLU A 696 -3.701 -5.478 10.832 1.00 1.22 H new ATOM 1261 N PHE A 697 -2.257 -4.289 7.588 1.00 0.31 N ATOM 1262 CA PHE A 697 -2.237 -2.868 7.284 1.00 0.31 C ATOM 1263 C PHE A 697 -3.259 -2.541 6.208 1.00 0.27 C ATOM 1264 O PHE A 697 -4.078 -1.631 6.366 1.00 0.30 O ATOM 1265 CB PHE A 697 -0.834 -2.446 6.829 1.00 0.37 C ATOM 1266 CG PHE A 697 -0.807 -1.156 6.054 1.00 0.36 C ATOM 1267 CD1 PHE A 697 -1.062 0.055 6.677 1.00 0.52 C ATOM 1268 CD2 PHE A 697 -0.531 -1.160 4.695 1.00 0.30 C ATOM 1269 CE1 PHE A 697 -1.045 1.236 5.959 1.00 0.59 C ATOM 1270 CE2 PHE A 697 -0.511 0.016 3.972 1.00 0.34 C ATOM 1271 CZ PHE A 697 -0.769 1.214 4.604 1.00 0.49 C ATOM 0 H PHE A 697 -1.376 -4.769 7.405 1.00 0.31 H new ATOM 0 HA PHE A 697 -2.496 -2.315 8.187 1.00 0.31 H new ATOM 0 HB2 PHE A 697 -0.193 -2.346 7.705 1.00 0.37 H new ATOM 0 HB3 PHE A 697 -0.409 -3.238 6.212 1.00 0.37 H new ATOM 0 HD1 PHE A 697 -1.276 0.076 7.735 1.00 0.52 H new ATOM 0 HD2 PHE A 697 -0.329 -2.096 4.195 1.00 0.30 H new ATOM 0 HE1 PHE A 697 -1.247 2.174 6.455 1.00 0.59 H new ATOM 0 HE2 PHE A 697 -0.294 -0.002 2.914 1.00 0.34 H new ATOM 0 HZ PHE A 697 -0.756 2.135 4.041 1.00 0.49 H new ATOM 1281 N ILE A 698 -3.219 -3.296 5.119 1.00 0.24 N ATOM 1282 CA ILE A 698 -4.082 -3.024 3.991 1.00 0.24 C ATOM 1283 C ILE A 698 -5.538 -3.309 4.342 1.00 0.25 C ATOM 1284 O ILE A 698 -6.427 -2.608 3.887 1.00 0.29 O ATOM 1285 CB ILE A 698 -3.653 -3.790 2.715 1.00 0.26 C ATOM 1286 CG1 ILE A 698 -4.233 -3.107 1.482 1.00 0.38 C ATOM 1287 CG2 ILE A 698 -4.081 -5.252 2.758 1.00 0.31 C ATOM 1288 CD1 ILE A 698 -3.934 -1.627 1.423 1.00 1.25 C ATOM 0 H ILE A 698 -2.599 -4.097 4.998 1.00 0.24 H new ATOM 0 HA ILE A 698 -3.983 -1.963 3.763 1.00 0.24 H new ATOM 0 HB ILE A 698 -2.564 -3.771 2.665 1.00 0.26 H new ATOM 0 HG12 ILE A 698 -3.835 -3.587 0.588 1.00 0.38 H new ATOM 0 HG13 ILE A 698 -5.313 -3.253 1.468 1.00 0.38 H new ATOM 0 HG21 ILE A 698 -3.760 -5.752 1.844 1.00 0.31 H new ATOM 0 HG22 ILE A 698 -3.623 -5.740 3.618 1.00 0.31 H new ATOM 0 HG23 ILE A 698 -5.166 -5.311 2.842 1.00 0.31 H new ATOM 0 HD11 ILE A 698 -4.375 -1.202 0.521 1.00 1.25 H new ATOM 0 HD12 ILE A 698 -4.356 -1.135 2.300 1.00 1.25 H new ATOM 0 HD13 ILE A 698 -2.855 -1.474 1.406 1.00 1.25 H new ATOM 1300 N ASN A 699 -5.770 -4.330 5.160 1.00 0.26 N ATOM 1301 CA ASN A 699 -7.118 -4.654 5.625 1.00 0.31 C ATOM 1302 C ASN A 699 -7.793 -3.424 6.235 1.00 0.33 C ATOM 1303 O ASN A 699 -8.914 -3.062 5.862 1.00 0.37 O ATOM 1304 CB ASN A 699 -7.046 -5.781 6.664 1.00 0.35 C ATOM 1305 CG ASN A 699 -8.360 -6.019 7.382 1.00 0.42 C ATOM 1306 OD1 ASN A 699 -9.186 -6.820 6.946 1.00 0.49 O ATOM 1307 ND2 ASN A 699 -8.556 -5.322 8.491 1.00 0.47 N ATOM 0 H ASN A 699 -5.042 -4.950 5.516 1.00 0.26 H new ATOM 0 HA ASN A 699 -7.712 -4.982 4.772 1.00 0.31 H new ATOM 0 HB2 ASN A 699 -6.738 -6.702 6.170 1.00 0.35 H new ATOM 0 HB3 ASN A 699 -6.277 -5.540 7.398 1.00 0.35 H new ATOM 0 HD21 ASN A 699 -9.420 -5.439 9.021 1.00 0.47 H new ATOM 0 HD22 ASN A 699 -7.843 -4.669 8.815 1.00 0.47 H new ATOM 1314 N SER A 700 -7.092 -2.781 7.161 1.00 0.34 N ATOM 1315 CA SER A 700 -7.587 -1.570 7.799 1.00 0.39 C ATOM 1316 C SER A 700 -7.639 -0.398 6.815 1.00 0.38 C ATOM 1317 O SER A 700 -8.613 0.355 6.789 1.00 0.45 O ATOM 1318 CB SER A 700 -6.697 -1.221 8.991 1.00 0.44 C ATOM 1319 OG SER A 700 -6.593 -2.322 9.878 1.00 1.42 O ATOM 0 H SER A 700 -6.174 -3.081 7.488 1.00 0.34 H new ATOM 0 HA SER A 700 -8.604 -1.755 8.143 1.00 0.39 H new ATOM 0 HB2 SER A 700 -5.705 -0.936 8.640 1.00 0.44 H new ATOM 0 HB3 SER A 700 -7.108 -0.360 9.518 1.00 0.44 H new ATOM 0 HG SER A 700 -5.948 -2.969 9.523 1.00 1.42 H new ATOM 1325 N TYR A 701 -6.595 -0.252 6.003 1.00 0.33 N ATOM 1326 CA TYR A 701 -6.516 0.841 5.032 1.00 0.36 C ATOM 1327 C TYR A 701 -7.695 0.797 4.051 1.00 0.35 C ATOM 1328 O TYR A 701 -8.362 1.806 3.822 1.00 0.42 O ATOM 1329 CB TYR A 701 -5.177 0.771 4.285 1.00 0.38 C ATOM 1330 CG TYR A 701 -4.970 1.844 3.230 1.00 0.45 C ATOM 1331 CD1 TYR A 701 -5.579 3.086 3.359 1.00 1.37 C ATOM 1332 CD2 TYR A 701 -4.173 1.621 2.113 1.00 0.95 C ATOM 1333 CE1 TYR A 701 -5.404 4.074 2.412 1.00 1.43 C ATOM 1334 CE2 TYR A 701 -3.990 2.605 1.160 1.00 0.98 C ATOM 1335 CZ TYR A 701 -4.578 3.793 1.279 1.00 0.65 C ATOM 1336 OH TYR A 701 -4.426 4.811 0.363 1.00 0.75 O ATOM 0 H TYR A 701 -5.789 -0.877 5.997 1.00 0.33 H new ATOM 0 HA TYR A 701 -6.574 1.789 5.567 1.00 0.36 H new ATOM 0 HB2 TYR A 701 -4.369 0.839 5.013 1.00 0.38 H new ATOM 0 HB3 TYR A 701 -5.095 -0.206 3.808 1.00 0.38 H new ATOM 0 HD1 TYR A 701 -6.203 3.282 4.219 1.00 1.37 H new ATOM 0 HD2 TYR A 701 -3.689 0.664 1.988 1.00 0.95 H new ATOM 0 HE1 TYR A 701 -5.880 5.037 2.524 1.00 1.43 H new ATOM 0 HE2 TYR A 701 -3.360 2.407 0.305 1.00 0.98 H new ATOM 0 HH TYR A 701 -3.474 4.939 0.171 1.00 0.75 H new ATOM 1346 N MET A 702 -7.948 -0.383 3.498 1.00 0.31 N ATOM 1347 CA MET A 702 -9.044 -0.595 2.555 1.00 0.36 C ATOM 1348 C MET A 702 -10.380 -0.242 3.188 1.00 0.42 C ATOM 1349 O MET A 702 -11.227 0.406 2.571 1.00 0.48 O ATOM 1350 CB MET A 702 -9.083 -2.052 2.112 1.00 0.44 C ATOM 1351 CG MET A 702 -7.868 -2.478 1.320 1.00 0.56 C ATOM 1352 SD MET A 702 -7.958 -4.199 0.828 1.00 0.87 S ATOM 1353 CE MET A 702 -6.638 -4.277 -0.373 1.00 1.08 C ATOM 0 H MET A 702 -7.400 -1.222 3.690 1.00 0.31 H new ATOM 0 HA MET A 702 -8.871 0.051 1.694 1.00 0.36 H new ATOM 0 HB2 MET A 702 -9.173 -2.688 2.992 1.00 0.44 H new ATOM 0 HB3 MET A 702 -9.975 -2.215 1.508 1.00 0.44 H new ATOM 0 HG2 MET A 702 -7.775 -1.852 0.433 1.00 0.56 H new ATOM 0 HG3 MET A 702 -6.971 -2.318 1.918 1.00 0.56 H new ATOM 0 HE1 MET A 702 -7.005 -4.743 -1.287 1.00 1.08 H new ATOM 0 HE2 MET A 702 -6.288 -3.269 -0.595 1.00 1.08 H new ATOM 0 HE3 MET A 702 -5.814 -4.866 0.030 1.00 1.08 H new ATOM 1363 N ASP A 703 -10.548 -0.674 4.433 1.00 0.46 N ATOM 1364 CA ASP A 703 -11.787 -0.473 5.172 1.00 0.59 C ATOM 1365 C ASP A 703 -12.124 1.012 5.276 1.00 0.64 C ATOM 1366 O ASP A 703 -13.287 1.411 5.177 1.00 0.77 O ATOM 1367 CB ASP A 703 -11.650 -1.075 6.572 1.00 0.66 C ATOM 1368 CG ASP A 703 -12.977 -1.208 7.285 1.00 0.93 C ATOM 1369 OD1 ASP A 703 -13.398 -0.246 7.960 1.00 1.06 O ATOM 1370 OD2 ASP A 703 -13.602 -2.286 7.175 1.00 1.11 O ATOM 0 H ASP A 703 -9.829 -1.173 4.957 1.00 0.46 H new ATOM 0 HA ASP A 703 -12.596 -0.970 4.637 1.00 0.59 H new ATOM 0 HB2 ASP A 703 -11.183 -2.057 6.496 1.00 0.66 H new ATOM 0 HB3 ASP A 703 -10.984 -0.451 7.167 1.00 0.66 H new ATOM 1375 N LYS A 704 -11.087 1.826 5.447 1.00 0.58 N ATOM 1376 CA LYS A 704 -11.252 3.265 5.589 1.00 0.66 C ATOM 1377 C LYS A 704 -11.651 3.923 4.270 1.00 0.66 C ATOM 1378 O LYS A 704 -12.338 4.939 4.273 1.00 0.76 O ATOM 1379 CB LYS A 704 -9.970 3.911 6.119 1.00 0.69 C ATOM 1380 CG LYS A 704 -9.557 3.407 7.493 1.00 1.15 C ATOM 1381 CD LYS A 704 -8.375 4.190 8.043 1.00 1.49 C ATOM 1382 CE LYS A 704 -8.744 5.642 8.320 1.00 2.15 C ATOM 1383 NZ LYS A 704 -9.726 5.768 9.433 1.00 2.95 N ATOM 0 H LYS A 704 -10.118 1.509 5.491 1.00 0.58 H new ATOM 0 HA LYS A 704 -12.057 3.423 6.307 1.00 0.66 H new ATOM 0 HB2 LYS A 704 -9.160 3.723 5.414 1.00 0.69 H new ATOM 0 HB3 LYS A 704 -10.109 4.991 6.164 1.00 0.69 H new ATOM 0 HG2 LYS A 704 -10.400 3.488 8.180 1.00 1.15 H new ATOM 0 HG3 LYS A 704 -9.297 2.350 7.431 1.00 1.15 H new ATOM 0 HD2 LYS A 704 -8.024 3.722 8.962 1.00 1.49 H new ATOM 0 HD3 LYS A 704 -7.550 4.153 7.331 1.00 1.49 H new ATOM 0 HE2 LYS A 704 -7.843 6.204 8.567 1.00 2.15 H new ATOM 0 HE3 LYS A 704 -9.161 6.088 7.417 1.00 2.15 H new ATOM 0 HZ1 LYS A 704 -9.808 6.766 9.712 1.00 2.95 H new ATOM 0 HZ2 LYS A 704 -10.654 5.419 9.119 1.00 2.95 H new ATOM 0 HZ3 LYS A 704 -9.402 5.207 10.247 1.00 2.95 H new ATOM 1397 N ILE A 705 -11.218 3.348 3.148 1.00 0.58 N ATOM 1398 CA ILE A 705 -11.480 3.942 1.839 1.00 0.64 C ATOM 1399 C ILE A 705 -12.980 4.036 1.564 1.00 0.70 C ATOM 1400 O ILE A 705 -13.472 5.063 1.092 1.00 0.83 O ATOM 1401 CB ILE A 705 -10.812 3.141 0.701 1.00 0.60 C ATOM 1402 CG1 ILE A 705 -9.294 3.072 0.886 1.00 0.60 C ATOM 1403 CG2 ILE A 705 -11.149 3.761 -0.645 1.00 0.68 C ATOM 1404 CD1 ILE A 705 -8.608 4.424 0.869 1.00 0.66 C ATOM 0 H ILE A 705 -10.688 2.477 3.120 1.00 0.58 H new ATOM 0 HA ILE A 705 -11.051 4.944 1.864 1.00 0.64 H new ATOM 0 HB ILE A 705 -11.201 2.123 0.733 1.00 0.60 H new ATOM 0 HG12 ILE A 705 -9.076 2.577 1.833 1.00 0.60 H new ATOM 0 HG13 ILE A 705 -8.870 2.451 0.097 1.00 0.60 H new ATOM 0 HG21 ILE A 705 -10.672 3.187 -1.440 1.00 0.68 H new ATOM 0 HG22 ILE A 705 -12.229 3.752 -0.789 1.00 0.68 H new ATOM 0 HG23 ILE A 705 -10.788 4.789 -0.673 1.00 0.68 H new ATOM 0 HD11 ILE A 705 -7.535 4.289 1.006 1.00 0.66 H new ATOM 0 HD12 ILE A 705 -8.793 4.914 -0.087 1.00 0.66 H new ATOM 0 HD13 ILE A 705 -9.002 5.042 1.676 1.00 0.66 H new ATOM 1416 N ILE A 706 -13.707 2.966 1.867 1.00 0.67 N ATOM 1417 CA ILE A 706 -15.152 2.950 1.673 1.00 0.79 C ATOM 1418 C ILE A 706 -15.812 3.920 2.652 1.00 0.99 C ATOM 1419 O ILE A 706 -16.772 4.621 2.312 1.00 1.17 O ATOM 1420 CB ILE A 706 -15.752 1.525 1.844 1.00 0.83 C ATOM 1421 CG1 ILE A 706 -15.355 0.612 0.672 1.00 1.18 C ATOM 1422 CG2 ILE A 706 -17.269 1.580 1.965 1.00 1.43 C ATOM 1423 CD1 ILE A 706 -13.912 0.157 0.694 1.00 1.75 C ATOM 0 H ILE A 706 -13.321 2.101 2.247 1.00 0.67 H new ATOM 0 HA ILE A 706 -15.353 3.263 0.649 1.00 0.79 H new ATOM 0 HB ILE A 706 -15.343 1.109 2.765 1.00 0.83 H new ATOM 0 HG12 ILE A 706 -16.000 -0.267 0.677 1.00 1.18 H new ATOM 0 HG13 ILE A 706 -15.543 1.140 -0.263 1.00 1.18 H new ATOM 0 HG21 ILE A 706 -17.661 0.570 2.083 1.00 1.43 H new ATOM 0 HG22 ILE A 706 -17.543 2.180 2.833 1.00 1.43 H new ATOM 0 HG23 ILE A 706 -17.690 2.029 1.066 1.00 1.43 H new ATOM 0 HD11 ILE A 706 -13.719 -0.482 -0.168 1.00 1.75 H new ATOM 0 HD12 ILE A 706 -13.256 1.026 0.655 1.00 1.75 H new ATOM 0 HD13 ILE A 706 -13.721 -0.402 1.610 1.00 1.75 H new