USER MOD reduce.3.24.130724 H: found=0, std=0, add=707, rem=0, adj=21 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 Single : A 625 SER OG : rot -89:sc= 1.26 USER MOD Single : A 626 GLN : amide:sc= -1.57 K(o=-1.6,f=-6.8!) USER MOD Single : A 630 HIS : no HD1:sc= -0.0462 X(o=-0.046,f=0) USER MOD Single : A 631 ASN : amide:sc= -1.43! C(o=-1.4!,f=-2.5!) USER MOD Single : A 633 ASN : amide:sc= -3.76 K(o=-3.8,f=-3.1!) USER MOD Single : A 634 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 638 SER OG : rot 67:sc= 1.26 USER MOD Single : A 642 ASN : amide:sc= -0.262 X(o=-0.26,f=-0.0041) USER MOD Single : A 645 LYS NZ :NH3+ -161:sc= -0.0667 (180deg=-0.424) USER MOD Single : A 646 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 647 ASN : amide:sc= -1.07 K(o=-1.1,f=-5.2!) USER MOD Single : A 649 GLN : amide:sc= -0.0527 K(o=-0.053,f=-7!) USER MOD Single : A 650 SER OG : rot -28:sc= -0.932 USER MOD Single : A 651 LYS NZ :NH3+ 161:sc= -0.0846 (180deg=-0.565) USER MOD Single : A 652 GLN : amide:sc= 0.296 X(o=0.3,f=0) USER MOD Single : A 655 HIS : no HD1:sc= 0 X(o=0,f=-0.0094) USER MOD Single : A 657 ASN : amide:sc= -2.42 K(o=-2.4,f=-5.3) USER MOD Single : A 659 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0293) USER MOD Single : A 660 GLN : amide:sc= -1.1 K(o=-1.1,f=-0.015) USER MOD Single : A 661 CYS SG : rot 55:sc= -0.832 USER MOD Single : A 663 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0584) USER MOD Single : A 667 LYS NZ :NH3+ 158:sc= 0.374 (180deg=0.184) USER MOD Single : A 670 THR OG1 : rot 82:sc= 0.996 USER MOD Single : A 671 THR OG1 : rot 79:sc= 1.32 USER MOD Single : A 672 LYS NZ :NH3+ -170:sc= -0.762 (180deg=-0.98) USER MOD Single : A 675 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 676 LYS NZ :NH3+ -164:sc= 0.662 (180deg=-0.23!) USER MOD Single : A 678 SER OG : rot 180:sc= 0 USER MOD Single : A 679 SER OG : rot -52:sc= 0.114 USER MOD Single : A 687 THR OG1 : rot 180:sc= 0.00158 USER MOD Single : A 688 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 690 LYS NZ :NH3+ -123:sc= 1.19 (180deg=-0.264) USER MOD Single : A 692 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 693 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 695 LYS NZ :NH3+ -117:sc= 0.211 (180deg=0) USER MOD Single : A 699 ASN : amide:sc= -0.187 X(o=-0.19,f=0) USER MOD Single : A 700 SER OG : rot 180:sc= 0 USER MOD Single : A 701 TYR OH : rot 80:sc= -0.0421 USER MOD Single : A 702 MET CE :methyl -114:sc= -5.21! (180deg=-10!) USER MOD Single : A 704 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 45 N SER A 625 18.886 6.329 0.192 1.00 0.89 N ATOM 46 CA SER A 625 17.583 5.775 0.522 1.00 0.85 C ATOM 47 C SER A 625 16.551 6.056 -0.567 1.00 0.73 C ATOM 48 O SER A 625 15.612 5.285 -0.748 1.00 0.72 O ATOM 49 CB SER A 625 17.106 6.361 1.844 1.00 1.01 C ATOM 50 OG SER A 625 18.164 6.399 2.788 1.00 1.35 O ATOM 0 HA SER A 625 17.689 4.693 0.604 1.00 0.85 H new ATOM 0 HB2 SER A 625 16.720 7.367 1.683 1.00 1.01 H new ATOM 0 HB3 SER A 625 16.283 5.763 2.236 1.00 1.01 H new ATOM 0 HG SER A 625 18.184 5.558 3.291 1.00 1.35 H new ATOM 56 N GLN A 626 16.733 7.154 -1.299 1.00 0.72 N ATOM 57 CA GLN A 626 15.755 7.580 -2.298 1.00 0.71 C ATOM 58 C GLN A 626 15.609 6.536 -3.400 1.00 0.60 C ATOM 59 O GLN A 626 14.521 6.323 -3.932 1.00 0.65 O ATOM 60 CB GLN A 626 16.154 8.924 -2.913 1.00 0.81 C ATOM 61 CG GLN A 626 16.387 10.038 -1.898 1.00 1.52 C ATOM 62 CD GLN A 626 15.164 10.380 -1.061 1.00 1.83 C ATOM 63 OE1 GLN A 626 14.332 9.527 -0.755 1.00 2.34 O ATOM 64 NE2 GLN A 626 15.049 11.643 -0.685 1.00 2.37 N ATOM 0 H GLN A 626 17.547 7.763 -1.219 1.00 0.72 H new ATOM 0 HA GLN A 626 14.796 7.693 -1.791 1.00 0.71 H new ATOM 0 HB2 GLN A 626 17.063 8.786 -3.498 1.00 0.81 H new ATOM 0 HB3 GLN A 626 15.374 9.238 -3.606 1.00 0.81 H new ATOM 0 HG2 GLN A 626 17.199 9.745 -1.233 1.00 1.52 H new ATOM 0 HG3 GLN A 626 16.715 10.933 -2.426 1.00 1.52 H new ATOM 0 HE21 GLN A 626 15.759 12.323 -0.958 1.00 2.37 H new ATOM 0 HE22 GLN A 626 14.251 11.937 -0.122 1.00 2.37 H new ATOM 73 N ARG A 627 16.709 5.882 -3.735 1.00 0.56 N ATOM 74 CA ARG A 627 16.695 4.862 -4.773 1.00 0.52 C ATOM 75 C ARG A 627 16.026 3.595 -4.264 1.00 0.40 C ATOM 76 O ARG A 627 15.454 2.826 -5.039 1.00 0.40 O ATOM 77 CB ARG A 627 18.110 4.574 -5.256 1.00 0.66 C ATOM 78 CG ARG A 627 18.790 5.803 -5.826 1.00 1.31 C ATOM 79 CD ARG A 627 20.161 5.485 -6.381 1.00 1.53 C ATOM 80 NE ARG A 627 20.866 6.696 -6.780 1.00 2.41 N ATOM 81 CZ ARG A 627 21.906 6.715 -7.611 1.00 2.91 C ATOM 82 NH1 ARG A 627 22.306 5.598 -8.210 1.00 2.66 N ATOM 83 NH2 ARG A 627 22.521 7.860 -7.868 1.00 4.02 N ATOM 0 H ARG A 627 17.621 6.038 -3.305 1.00 0.56 H new ATOM 0 HA ARG A 627 16.117 5.234 -5.619 1.00 0.52 H new ATOM 0 HB2 ARG A 627 18.702 4.187 -4.427 1.00 0.66 H new ATOM 0 HB3 ARG A 627 18.079 3.794 -6.017 1.00 0.66 H new ATOM 0 HG2 ARG A 627 18.169 6.228 -6.615 1.00 1.31 H new ATOM 0 HG3 ARG A 627 18.881 6.561 -5.048 1.00 1.31 H new ATOM 0 HD2 ARG A 627 20.745 4.953 -5.630 1.00 1.53 H new ATOM 0 HD3 ARG A 627 20.063 4.820 -7.239 1.00 1.53 H new ATOM 0 HE ARG A 627 20.542 7.585 -6.399 1.00 2.41 H new ATOM 0 HH11 ARG A 627 21.816 4.721 -8.034 1.00 2.66 H new ATOM 0 HH12 ARG A 627 23.103 5.618 -8.846 1.00 2.66 H new ATOM 0 HH21 ARG A 627 22.197 8.722 -7.430 1.00 4.02 H new ATOM 0 HH22 ARG A 627 23.318 7.879 -8.504 1.00 4.02 H new ATOM 97 N LEU A 628 16.070 3.403 -2.951 1.00 0.38 N ATOM 98 CA LEU A 628 15.429 2.252 -2.334 1.00 0.36 C ATOM 99 C LEU A 628 13.927 2.349 -2.424 1.00 0.27 C ATOM 100 O LEU A 628 13.246 1.343 -2.328 1.00 0.29 O ATOM 101 CB LEU A 628 15.825 2.079 -0.871 1.00 0.49 C ATOM 102 CG LEU A 628 17.093 1.273 -0.638 1.00 0.62 C ATOM 103 CD1 LEU A 628 17.244 0.948 0.838 1.00 1.13 C ATOM 104 CD2 LEU A 628 17.073 -0.003 -1.460 1.00 1.48 C ATOM 0 H LEU A 628 16.541 4.028 -2.297 1.00 0.38 H new ATOM 0 HA LEU A 628 15.776 1.382 -2.891 1.00 0.36 H new ATOM 0 HB2 LEU A 628 15.953 3.066 -0.426 1.00 0.49 H new ATOM 0 HB3 LEU A 628 15.003 1.595 -0.343 1.00 0.49 H new ATOM 0 HG LEU A 628 17.947 1.872 -0.954 1.00 0.62 H new ATOM 0 HD11 LEU A 628 18.156 0.371 0.992 1.00 1.13 H new ATOM 0 HD12 LEU A 628 17.300 1.874 1.411 1.00 1.13 H new ATOM 0 HD13 LEU A 628 16.385 0.366 1.172 1.00 1.13 H new ATOM 0 HD21 LEU A 628 17.989 -0.566 -1.280 1.00 1.48 H new ATOM 0 HD22 LEU A 628 16.213 -0.607 -1.173 1.00 1.48 H new ATOM 0 HD23 LEU A 628 17.003 0.247 -2.519 1.00 1.48 H new ATOM 116 N GLU A 629 13.408 3.556 -2.600 1.00 0.29 N ATOM 117 CA GLU A 629 11.973 3.731 -2.730 1.00 0.34 C ATOM 118 C GLU A 629 11.468 2.986 -3.954 1.00 0.30 C ATOM 119 O GLU A 629 10.474 2.284 -3.885 1.00 0.33 O ATOM 120 CB GLU A 629 11.603 5.205 -2.828 1.00 0.50 C ATOM 121 CG GLU A 629 11.985 5.997 -1.595 1.00 0.68 C ATOM 122 CD GLU A 629 11.558 7.443 -1.680 1.00 0.94 C ATOM 123 OE1 GLU A 629 11.756 8.067 -2.745 1.00 1.03 O ATOM 124 OE2 GLU A 629 11.018 7.961 -0.680 1.00 1.24 O ATOM 0 H GLU A 629 13.953 4.417 -2.655 1.00 0.29 H new ATOM 0 HA GLU A 629 11.500 3.323 -1.837 1.00 0.34 H new ATOM 0 HB2 GLU A 629 12.095 5.640 -3.698 1.00 0.50 H new ATOM 0 HB3 GLU A 629 10.529 5.294 -2.991 1.00 0.50 H new ATOM 0 HG2 GLU A 629 11.530 5.538 -0.717 1.00 0.68 H new ATOM 0 HG3 GLU A 629 13.065 5.948 -1.456 1.00 0.68 H new ATOM 131 N HIS A 630 12.184 3.125 -5.063 1.00 0.29 N ATOM 132 CA HIS A 630 11.842 2.434 -6.303 1.00 0.35 C ATOM 133 C HIS A 630 12.016 0.924 -6.139 1.00 0.27 C ATOM 134 O HIS A 630 11.231 0.137 -6.668 1.00 0.28 O ATOM 135 CB HIS A 630 12.718 2.941 -7.454 1.00 0.47 C ATOM 136 CG HIS A 630 12.253 2.508 -8.816 1.00 1.05 C ATOM 137 ND1 HIS A 630 11.687 3.372 -9.726 1.00 1.52 N ATOM 138 CD2 HIS A 630 12.282 1.298 -9.423 1.00 1.71 C ATOM 139 CE1 HIS A 630 11.382 2.715 -10.827 1.00 2.20 C ATOM 140 NE2 HIS A 630 11.733 1.454 -10.669 1.00 2.35 N ATOM 0 H HIS A 630 13.013 3.715 -5.130 1.00 0.29 H new ATOM 0 HA HIS A 630 10.798 2.643 -6.536 1.00 0.35 H new ATOM 0 HB2 HIS A 630 12.748 4.030 -7.421 1.00 0.47 H new ATOM 0 HB3 HIS A 630 13.739 2.590 -7.302 1.00 0.47 H new ATOM 0 HD2 HIS A 630 12.666 0.380 -9.003 1.00 1.71 H new ATOM 0 HE1 HIS A 630 10.923 3.138 -11.708 1.00 2.20 H new ATOM 0 HE2 HIS A 630 11.615 0.715 -11.362 1.00 2.35 H new ATOM 149 N ASN A 631 13.051 0.524 -5.412 1.00 0.23 N ATOM 150 CA ASN A 631 13.280 -0.891 -5.131 1.00 0.21 C ATOM 151 C ASN A 631 12.180 -1.416 -4.225 1.00 0.15 C ATOM 152 O ASN A 631 11.648 -2.508 -4.433 1.00 0.17 O ATOM 153 CB ASN A 631 14.650 -1.098 -4.482 1.00 0.25 C ATOM 154 CG ASN A 631 15.793 -0.841 -5.444 1.00 0.35 C ATOM 155 OD1 ASN A 631 16.849 -0.347 -5.053 1.00 0.59 O ATOM 156 ND2 ASN A 631 15.599 -1.199 -6.707 1.00 0.77 N ATOM 0 H ASN A 631 13.743 1.154 -5.007 1.00 0.23 H new ATOM 0 HA ASN A 631 13.264 -1.444 -6.070 1.00 0.21 H new ATOM 0 HB2 ASN A 631 14.746 -0.433 -3.623 1.00 0.25 H new ATOM 0 HB3 ASN A 631 14.719 -2.118 -4.105 1.00 0.25 H new ATOM 0 HD21 ASN A 631 16.341 -1.068 -7.394 1.00 0.77 H new ATOM 0 HD22 ASN A 631 14.708 -1.606 -6.991 1.00 0.77 H new ATOM 163 N TRP A 632 11.842 -0.623 -3.219 1.00 0.15 N ATOM 164 CA TRP A 632 10.704 -0.904 -2.357 1.00 0.16 C ATOM 165 C TRP A 632 9.412 -1.008 -3.172 1.00 0.20 C ATOM 166 O TRP A 632 8.555 -1.848 -2.893 1.00 0.23 O ATOM 167 CB TRP A 632 10.553 0.189 -1.299 1.00 0.21 C ATOM 168 CG TRP A 632 11.109 -0.189 0.039 1.00 0.21 C ATOM 169 CD1 TRP A 632 12.253 0.266 0.624 1.00 0.24 C ATOM 170 CD2 TRP A 632 10.528 -1.113 0.957 1.00 0.21 C ATOM 171 NE1 TRP A 632 12.409 -0.315 1.860 1.00 0.25 N ATOM 172 CE2 TRP A 632 11.361 -1.169 2.084 1.00 0.23 C ATOM 173 CE3 TRP A 632 9.378 -1.895 0.927 1.00 0.24 C ATOM 174 CZ2 TRP A 632 11.075 -1.987 3.176 1.00 0.26 C ATOM 175 CZ3 TRP A 632 9.094 -2.701 2.005 1.00 0.29 C ATOM 176 CH2 TRP A 632 9.934 -2.743 3.115 1.00 0.29 C ATOM 0 H TRP A 632 12.347 0.230 -2.978 1.00 0.15 H new ATOM 0 HA TRP A 632 10.886 -1.859 -1.865 1.00 0.16 H new ATOM 0 HB2 TRP A 632 11.053 1.092 -1.648 1.00 0.21 H new ATOM 0 HB3 TRP A 632 9.496 0.432 -1.188 1.00 0.21 H new ATOM 0 HD1 TRP A 632 12.935 0.977 0.182 1.00 0.24 H new ATOM 0 HE1 TRP A 632 13.179 -0.139 2.505 1.00 0.25 H new ATOM 0 HE3 TRP A 632 8.719 -1.870 0.072 1.00 0.24 H new ATOM 0 HZ2 TRP A 632 11.727 -2.023 4.036 1.00 0.26 H new ATOM 0 HZ3 TRP A 632 8.204 -3.312 1.990 1.00 0.29 H new ATOM 0 HH2 TRP A 632 9.681 -3.385 3.945 1.00 0.29 H new ATOM 187 N ASN A 633 9.278 -0.140 -4.176 1.00 0.22 N ATOM 188 CA ASN A 633 8.111 -0.147 -5.058 1.00 0.29 C ATOM 189 C ASN A 633 7.971 -1.499 -5.743 1.00 0.29 C ATOM 190 O ASN A 633 6.878 -2.053 -5.809 1.00 0.33 O ATOM 191 CB ASN A 633 8.194 0.953 -6.129 1.00 0.36 C ATOM 192 CG ASN A 633 8.173 2.372 -5.574 1.00 0.41 C ATOM 193 OD1 ASN A 633 8.698 3.297 -6.197 1.00 0.47 O ATOM 194 ND2 ASN A 633 7.590 2.560 -4.399 1.00 0.42 N ATOM 0 H ASN A 633 9.966 0.579 -4.399 1.00 0.22 H new ATOM 0 HA ASN A 633 7.239 0.046 -4.434 1.00 0.29 H new ATOM 0 HB2 ASN A 633 9.109 0.814 -6.705 1.00 0.36 H new ATOM 0 HB3 ASN A 633 7.360 0.834 -6.821 1.00 0.36 H new ATOM 0 HD21 ASN A 633 7.567 3.492 -3.985 1.00 0.42 H new ATOM 0 HD22 ASN A 633 7.165 1.773 -3.909 1.00 0.42 H new ATOM 201 N LYS A 634 9.090 -2.025 -6.244 1.00 0.30 N ATOM 202 CA LYS A 634 9.104 -3.338 -6.889 1.00 0.36 C ATOM 203 C LYS A 634 8.596 -4.414 -5.939 1.00 0.32 C ATOM 204 O LYS A 634 7.853 -5.311 -6.341 1.00 0.33 O ATOM 205 CB LYS A 634 10.516 -3.710 -7.347 1.00 0.46 C ATOM 206 CG LYS A 634 11.018 -2.932 -8.550 1.00 1.21 C ATOM 207 CD LYS A 634 12.354 -3.486 -9.018 1.00 1.61 C ATOM 208 CE LYS A 634 12.821 -2.847 -10.315 1.00 2.37 C ATOM 209 NZ LYS A 634 14.051 -3.505 -10.838 1.00 3.15 N ATOM 0 H LYS A 634 9.998 -1.561 -6.215 1.00 0.30 H new ATOM 0 HA LYS A 634 8.447 -3.279 -7.757 1.00 0.36 H new ATOM 0 HB2 LYS A 634 11.205 -3.554 -6.517 1.00 0.46 H new ATOM 0 HB3 LYS A 634 10.538 -4.774 -7.584 1.00 0.46 H new ATOM 0 HG2 LYS A 634 10.289 -2.990 -9.359 1.00 1.21 H new ATOM 0 HG3 LYS A 634 11.124 -1.878 -8.292 1.00 1.21 H new ATOM 0 HD2 LYS A 634 13.104 -3.322 -8.244 1.00 1.61 H new ATOM 0 HD3 LYS A 634 12.269 -4.564 -9.156 1.00 1.61 H new ATOM 0 HE2 LYS A 634 12.028 -2.912 -11.060 1.00 2.37 H new ATOM 0 HE3 LYS A 634 13.017 -1.788 -10.150 1.00 2.37 H new ATOM 0 HZ1 LYS A 634 14.342 -3.044 -11.724 1.00 3.15 H new ATOM 0 HZ2 LYS A 634 14.815 -3.421 -10.137 1.00 3.15 H new ATOM 0 HZ3 LYS A 634 13.857 -4.511 -11.019 1.00 3.15 H new ATOM 223 N PHE A 635 9.006 -4.310 -4.680 1.00 0.30 N ATOM 224 CA PHE A 635 8.612 -5.268 -3.657 1.00 0.30 C ATOM 225 C PHE A 635 7.092 -5.329 -3.517 1.00 0.27 C ATOM 226 O PHE A 635 6.493 -6.392 -3.678 1.00 0.27 O ATOM 227 CB PHE A 635 9.262 -4.900 -2.316 1.00 0.32 C ATOM 228 CG PHE A 635 8.827 -5.763 -1.165 1.00 0.32 C ATOM 229 CD1 PHE A 635 9.049 -7.127 -1.189 1.00 0.39 C ATOM 230 CD2 PHE A 635 8.190 -5.210 -0.067 1.00 0.33 C ATOM 231 CE1 PHE A 635 8.646 -7.928 -0.139 1.00 0.42 C ATOM 232 CE2 PHE A 635 7.785 -6.005 0.985 1.00 0.35 C ATOM 233 CZ PHE A 635 8.036 -7.346 0.975 1.00 0.37 C ATOM 0 H PHE A 635 9.616 -3.565 -4.343 1.00 0.30 H new ATOM 0 HA PHE A 635 8.959 -6.256 -3.959 1.00 0.30 H new ATOM 0 HB2 PHE A 635 10.345 -4.969 -2.419 1.00 0.32 H new ATOM 0 HB3 PHE A 635 9.029 -3.861 -2.085 1.00 0.32 H new ATOM 0 HD1 PHE A 635 9.544 -7.572 -2.040 1.00 0.39 H new ATOM 0 HD2 PHE A 635 8.008 -4.146 -0.034 1.00 0.33 H new ATOM 0 HE1 PHE A 635 8.801 -8.996 -0.179 1.00 0.42 H new ATOM 0 HE2 PHE A 635 7.266 -5.563 1.822 1.00 0.35 H new ATOM 0 HZ PHE A 635 7.764 -7.955 1.825 1.00 0.37 H new ATOM 243 N PHE A 636 6.468 -4.188 -3.259 1.00 0.26 N ATOM 244 CA PHE A 636 5.030 -4.147 -3.049 1.00 0.26 C ATOM 245 C PHE A 636 4.277 -4.409 -4.349 1.00 0.24 C ATOM 246 O PHE A 636 3.200 -5.004 -4.339 1.00 0.25 O ATOM 247 CB PHE A 636 4.619 -2.813 -2.417 1.00 0.28 C ATOM 248 CG PHE A 636 5.043 -2.712 -0.980 1.00 0.28 C ATOM 249 CD1 PHE A 636 4.687 -3.708 -0.091 1.00 0.37 C ATOM 250 CD2 PHE A 636 5.802 -1.650 -0.516 1.00 0.31 C ATOM 251 CE1 PHE A 636 5.079 -3.660 1.224 1.00 0.39 C ATOM 252 CE2 PHE A 636 6.191 -1.594 0.805 1.00 0.35 C ATOM 253 CZ PHE A 636 5.832 -2.605 1.674 1.00 0.36 C ATOM 0 H PHE A 636 6.934 -3.283 -3.191 1.00 0.26 H new ATOM 0 HA PHE A 636 4.760 -4.943 -2.355 1.00 0.26 H new ATOM 0 HB2 PHE A 636 5.061 -1.993 -2.983 1.00 0.28 H new ATOM 0 HB3 PHE A 636 3.537 -2.699 -2.484 1.00 0.28 H new ATOM 0 HD1 PHE A 636 4.090 -4.539 -0.437 1.00 0.37 H new ATOM 0 HD2 PHE A 636 6.091 -0.861 -1.194 1.00 0.31 H new ATOM 0 HE1 PHE A 636 4.795 -4.451 1.903 1.00 0.39 H new ATOM 0 HE2 PHE A 636 6.777 -0.759 1.160 1.00 0.35 H new ATOM 0 HZ PHE A 636 6.144 -2.565 2.707 1.00 0.36 H new ATOM 263 N ALA A 637 4.868 -4.001 -5.468 1.00 0.26 N ATOM 264 CA ALA A 637 4.289 -4.254 -6.788 1.00 0.26 C ATOM 265 C ALA A 637 4.203 -5.753 -7.078 1.00 0.24 C ATOM 266 O ALA A 637 3.424 -6.191 -7.925 1.00 0.26 O ATOM 267 CB ALA A 637 5.101 -3.560 -7.873 1.00 0.31 C ATOM 0 H ALA A 637 5.751 -3.491 -5.489 1.00 0.26 H new ATOM 0 HA ALA A 637 3.278 -3.847 -6.788 1.00 0.26 H new ATOM 0 HB1 ALA A 637 4.654 -3.761 -8.847 1.00 0.31 H new ATOM 0 HB2 ALA A 637 5.108 -2.485 -7.691 1.00 0.31 H new ATOM 0 HB3 ALA A 637 6.124 -3.937 -7.859 1.00 0.31 H new ATOM 273 N SER A 638 5.020 -6.533 -6.386 1.00 0.23 N ATOM 274 CA SER A 638 5.069 -7.969 -6.604 1.00 0.25 C ATOM 275 C SER A 638 3.803 -8.666 -6.099 1.00 0.23 C ATOM 276 O SER A 638 3.281 -9.564 -6.756 1.00 0.28 O ATOM 277 CB SER A 638 6.303 -8.567 -5.925 1.00 0.28 C ATOM 278 OG SER A 638 7.493 -7.957 -6.400 1.00 0.96 O ATOM 0 H SER A 638 5.659 -6.194 -5.667 1.00 0.23 H new ATOM 0 HA SER A 638 5.132 -8.134 -7.680 1.00 0.25 H new ATOM 0 HB2 SER A 638 6.228 -8.434 -4.846 1.00 0.28 H new ATOM 0 HB3 SER A 638 6.341 -9.640 -6.112 1.00 0.28 H new ATOM 0 HG SER A 638 7.520 -7.022 -6.109 1.00 0.96 H new ATOM 284 N PHE A 639 3.305 -8.266 -4.934 1.00 0.21 N ATOM 285 CA PHE A 639 2.156 -8.952 -4.345 1.00 0.23 C ATOM 286 C PHE A 639 0.892 -8.108 -4.313 1.00 0.22 C ATOM 287 O PHE A 639 -0.200 -8.633 -4.524 1.00 0.25 O ATOM 288 CB PHE A 639 2.477 -9.472 -2.944 1.00 0.26 C ATOM 289 CG PHE A 639 3.213 -8.509 -2.054 1.00 0.25 C ATOM 290 CD1 PHE A 639 2.536 -7.622 -1.227 1.00 0.24 C ATOM 291 CD2 PHE A 639 4.595 -8.528 -2.015 1.00 0.28 C ATOM 292 CE1 PHE A 639 3.229 -6.782 -0.383 1.00 0.27 C ATOM 293 CE2 PHE A 639 5.290 -7.685 -1.179 1.00 0.32 C ATOM 294 CZ PHE A 639 4.608 -6.816 -0.361 1.00 0.27 C ATOM 0 H PHE A 639 3.669 -7.486 -4.386 1.00 0.21 H new ATOM 0 HA PHE A 639 1.953 -9.796 -5.005 1.00 0.23 H new ATOM 0 HB2 PHE A 639 1.544 -9.752 -2.456 1.00 0.26 H new ATOM 0 HB3 PHE A 639 3.072 -10.380 -3.039 1.00 0.26 H new ATOM 0 HD1 PHE A 639 1.457 -7.590 -1.246 1.00 0.24 H new ATOM 0 HD2 PHE A 639 5.136 -9.214 -2.650 1.00 0.28 H new ATOM 0 HE1 PHE A 639 2.694 -6.099 0.260 1.00 0.27 H new ATOM 0 HE2 PHE A 639 6.370 -7.706 -1.165 1.00 0.32 H new ATOM 0 HZ PHE A 639 5.153 -6.158 0.300 1.00 0.27 H new ATOM 304 N VAL A 640 1.030 -6.816 -4.060 1.00 0.22 N ATOM 305 CA VAL A 640 -0.130 -5.951 -3.864 1.00 0.24 C ATOM 306 C VAL A 640 -1.145 -6.045 -5.019 1.00 0.21 C ATOM 307 O VAL A 640 -2.318 -6.339 -4.776 1.00 0.24 O ATOM 308 CB VAL A 640 0.294 -4.485 -3.629 1.00 0.29 C ATOM 309 CG1 VAL A 640 -0.887 -3.547 -3.804 1.00 0.34 C ATOM 310 CG2 VAL A 640 0.889 -4.331 -2.237 1.00 0.34 C ATOM 0 H VAL A 640 1.930 -6.341 -3.985 1.00 0.22 H new ATOM 0 HA VAL A 640 -0.633 -6.314 -2.967 1.00 0.24 H new ATOM 0 HB VAL A 640 1.050 -4.222 -4.369 1.00 0.29 H new ATOM 0 HG11 VAL A 640 -0.564 -2.520 -3.634 1.00 0.34 H new ATOM 0 HG12 VAL A 640 -1.279 -3.641 -4.817 1.00 0.34 H new ATOM 0 HG13 VAL A 640 -1.667 -3.806 -3.088 1.00 0.34 H new ATOM 0 HG21 VAL A 640 1.185 -3.294 -2.081 1.00 0.34 H new ATOM 0 HG22 VAL A 640 0.146 -4.613 -1.491 1.00 0.34 H new ATOM 0 HG23 VAL A 640 1.762 -4.976 -2.141 1.00 0.34 H new ATOM 320 N PRO A 641 -0.728 -5.836 -6.285 1.00 0.22 N ATOM 321 CA PRO A 641 -1.645 -5.938 -7.426 1.00 0.27 C ATOM 322 C PRO A 641 -2.259 -7.332 -7.561 1.00 0.30 C ATOM 323 O PRO A 641 -3.377 -7.475 -8.043 1.00 0.42 O ATOM 324 CB PRO A 641 -0.763 -5.625 -8.638 1.00 0.36 C ATOM 325 CG PRO A 641 0.404 -4.886 -8.082 1.00 0.56 C ATOM 326 CD PRO A 641 0.631 -5.458 -6.714 1.00 0.24 C ATOM 0 HA PRO A 641 -2.493 -5.262 -7.318 1.00 0.27 H new ATOM 0 HB2 PRO A 641 -0.448 -6.538 -9.144 1.00 0.36 H new ATOM 0 HB3 PRO A 641 -1.299 -5.023 -9.372 1.00 0.36 H new ATOM 0 HG2 PRO A 641 1.285 -5.014 -8.711 1.00 0.56 H new ATOM 0 HG3 PRO A 641 0.202 -3.816 -8.031 1.00 0.56 H new ATOM 0 HD2 PRO A 641 1.300 -6.318 -6.742 1.00 0.24 H new ATOM 0 HD3 PRO A 641 1.079 -4.728 -6.040 1.00 0.24 H new ATOM 334 N ASN A 642 -1.523 -8.350 -7.124 1.00 0.30 N ATOM 335 CA ASN A 642 -1.983 -9.735 -7.229 1.00 0.37 C ATOM 336 C ASN A 642 -3.043 -10.067 -6.179 1.00 0.33 C ATOM 337 O ASN A 642 -4.070 -10.667 -6.497 1.00 0.38 O ATOM 338 CB ASN A 642 -0.802 -10.702 -7.109 1.00 0.49 C ATOM 339 CG ASN A 642 0.073 -10.705 -8.347 1.00 0.98 C ATOM 340 OD1 ASN A 642 -0.131 -11.501 -9.263 1.00 1.70 O ATOM 341 ND2 ASN A 642 1.046 -9.813 -8.390 1.00 0.95 N ATOM 0 H ASN A 642 -0.605 -8.244 -6.693 1.00 0.30 H new ATOM 0 HA ASN A 642 -2.443 -9.850 -8.211 1.00 0.37 H new ATOM 0 HB2 ASN A 642 -0.199 -10.429 -6.243 1.00 0.49 H new ATOM 0 HB3 ASN A 642 -1.178 -11.710 -6.931 1.00 0.49 H new ATOM 0 HD21 ASN A 642 1.660 -9.767 -9.203 1.00 0.95 H new ATOM 0 HD22 ASN A 642 1.183 -9.170 -7.610 1.00 0.95 H new ATOM 348 N LEU A 643 -2.790 -9.684 -4.931 1.00 0.29 N ATOM 349 CA LEU A 643 -3.732 -9.941 -3.842 1.00 0.31 C ATOM 350 C LEU A 643 -5.076 -9.271 -4.127 1.00 0.28 C ATOM 351 O LEU A 643 -6.126 -9.902 -4.061 1.00 0.33 O ATOM 352 CB LEU A 643 -3.152 -9.457 -2.495 1.00 0.33 C ATOM 353 CG LEU A 643 -2.305 -10.483 -1.732 1.00 0.57 C ATOM 354 CD1 LEU A 643 -1.101 -10.924 -2.548 1.00 1.37 C ATOM 355 CD2 LEU A 643 -1.858 -9.913 -0.397 1.00 1.24 C ATOM 0 H LEU A 643 -1.941 -9.195 -4.647 1.00 0.29 H new ATOM 0 HA LEU A 643 -3.895 -11.017 -3.774 1.00 0.31 H new ATOM 0 HB2 LEU A 643 -2.541 -8.573 -2.679 1.00 0.33 H new ATOM 0 HB3 LEU A 643 -3.978 -9.146 -1.855 1.00 0.33 H new ATOM 0 HG LEU A 643 -2.926 -11.360 -1.551 1.00 0.57 H new ATOM 0 HD11 LEU A 643 -0.522 -11.651 -1.978 1.00 1.37 H new ATOM 0 HD12 LEU A 643 -1.439 -11.379 -3.479 1.00 1.37 H new ATOM 0 HD13 LEU A 643 -0.477 -10.059 -2.772 1.00 1.37 H new ATOM 0 HD21 LEU A 643 -1.258 -10.653 0.132 1.00 1.24 H new ATOM 0 HD22 LEU A 643 -1.262 -9.016 -0.566 1.00 1.24 H new ATOM 0 HD23 LEU A 643 -2.733 -9.660 0.202 1.00 1.24 H new ATOM 367 N ILE A 644 -5.028 -7.998 -4.471 1.00 0.26 N ATOM 368 CA ILE A 644 -6.231 -7.215 -4.720 1.00 0.29 C ATOM 369 C ILE A 644 -6.834 -7.493 -6.092 1.00 0.36 C ATOM 370 O ILE A 644 -8.005 -7.212 -6.320 1.00 0.47 O ATOM 371 CB ILE A 644 -5.967 -5.720 -4.502 1.00 0.33 C ATOM 372 CG1 ILE A 644 -5.656 -5.491 -3.045 1.00 0.51 C ATOM 373 CG2 ILE A 644 -7.142 -4.851 -4.898 1.00 0.41 C ATOM 374 CD1 ILE A 644 -4.301 -4.877 -2.822 1.00 0.67 C ATOM 0 H ILE A 644 -4.159 -7.476 -4.586 1.00 0.26 H new ATOM 0 HA ILE A 644 -6.978 -7.531 -3.992 1.00 0.29 H new ATOM 0 HB ILE A 644 -5.128 -5.439 -5.139 1.00 0.33 H new ATOM 0 HG12 ILE A 644 -6.418 -4.842 -2.614 1.00 0.51 H new ATOM 0 HG13 ILE A 644 -5.710 -6.441 -2.514 1.00 0.51 H new ATOM 0 HG21 ILE A 644 -6.896 -3.804 -4.721 1.00 0.41 H new ATOM 0 HG22 ILE A 644 -7.364 -4.998 -5.955 1.00 0.41 H new ATOM 0 HG23 ILE A 644 -8.014 -5.124 -4.303 1.00 0.41 H new ATOM 0 HD11 ILE A 644 -4.136 -4.737 -1.754 1.00 0.67 H new ATOM 0 HD12 ILE A 644 -3.532 -5.536 -3.224 1.00 0.67 H new ATOM 0 HD13 ILE A 644 -4.251 -3.912 -3.326 1.00 0.67 H new ATOM 386 N LYS A 645 -6.036 -8.011 -7.018 1.00 0.42 N ATOM 387 CA LYS A 645 -6.554 -8.442 -8.320 1.00 0.60 C ATOM 388 C LYS A 645 -7.844 -9.258 -8.160 1.00 0.68 C ATOM 389 O LYS A 645 -8.696 -9.271 -9.053 1.00 0.81 O ATOM 390 CB LYS A 645 -5.503 -9.277 -9.061 1.00 0.73 C ATOM 391 CG LYS A 645 -5.988 -9.835 -10.391 1.00 1.14 C ATOM 392 CD LYS A 645 -4.909 -10.641 -11.096 1.00 1.61 C ATOM 393 CE LYS A 645 -3.791 -9.755 -11.627 1.00 2.44 C ATOM 394 NZ LYS A 645 -4.290 -8.759 -12.613 1.00 3.24 N ATOM 0 H LYS A 645 -5.032 -8.144 -6.897 1.00 0.42 H new ATOM 0 HA LYS A 645 -6.781 -7.548 -8.902 1.00 0.60 H new ATOM 0 HB2 LYS A 645 -4.621 -8.661 -9.236 1.00 0.73 H new ATOM 0 HB3 LYS A 645 -5.193 -10.104 -8.422 1.00 0.73 H new ATOM 0 HG2 LYS A 645 -6.861 -10.466 -10.223 1.00 1.14 H new ATOM 0 HG3 LYS A 645 -6.307 -9.015 -11.034 1.00 1.14 H new ATOM 0 HD2 LYS A 645 -4.493 -11.374 -10.404 1.00 1.61 H new ATOM 0 HD3 LYS A 645 -5.353 -11.198 -11.921 1.00 1.61 H new ATOM 0 HE2 LYS A 645 -3.315 -9.235 -10.796 1.00 2.44 H new ATOM 0 HE3 LYS A 645 -3.027 -10.376 -12.094 1.00 2.44 H new ATOM 0 HZ1 LYS A 645 -3.494 -8.403 -13.180 1.00 3.24 H new ATOM 0 HZ2 LYS A 645 -4.987 -9.210 -13.239 1.00 3.24 H new ATOM 0 HZ3 LYS A 645 -4.738 -7.967 -12.110 1.00 3.24 H new ATOM 408 N LYS A 646 -7.994 -9.896 -6.999 1.00 0.65 N ATOM 409 CA LYS A 646 -9.150 -10.737 -6.724 1.00 0.80 C ATOM 410 C LYS A 646 -9.138 -11.201 -5.271 1.00 0.82 C ATOM 411 O LYS A 646 -8.679 -12.305 -4.966 1.00 0.97 O ATOM 412 CB LYS A 646 -9.164 -11.946 -7.662 1.00 0.99 C ATOM 413 CG LYS A 646 -10.401 -12.816 -7.517 1.00 1.22 C ATOM 414 CD LYS A 646 -10.399 -13.935 -8.540 1.00 1.85 C ATOM 415 CE LYS A 646 -11.641 -14.803 -8.416 1.00 2.19 C ATOM 416 NZ LYS A 646 -11.654 -15.905 -9.413 1.00 2.88 N ATOM 0 H LYS A 646 -7.323 -9.843 -6.233 1.00 0.65 H new ATOM 0 HA LYS A 646 -10.052 -10.149 -6.895 1.00 0.80 H new ATOM 0 HB2 LYS A 646 -9.095 -11.597 -8.692 1.00 0.99 H new ATOM 0 HB3 LYS A 646 -8.279 -12.553 -7.471 1.00 0.99 H new ATOM 0 HG2 LYS A 646 -10.439 -13.237 -6.512 1.00 1.22 H new ATOM 0 HG3 LYS A 646 -11.296 -12.206 -7.641 1.00 1.22 H new ATOM 0 HD2 LYS A 646 -10.347 -13.512 -9.543 1.00 1.85 H new ATOM 0 HD3 LYS A 646 -9.509 -14.550 -8.407 1.00 1.85 H new ATOM 0 HE2 LYS A 646 -11.691 -15.223 -7.411 1.00 2.19 H new ATOM 0 HE3 LYS A 646 -12.529 -14.185 -8.547 1.00 2.19 H new ATOM 0 HZ1 LYS A 646 -12.518 -16.472 -9.293 1.00 2.88 H new ATOM 0 HZ2 LYS A 646 -11.633 -15.505 -10.373 1.00 2.88 H new ATOM 0 HZ3 LYS A 646 -10.820 -16.511 -9.272 1.00 2.88 H new ATOM 430 N ASN A 647 -9.608 -10.355 -4.364 1.00 0.74 N ATOM 431 CA ASN A 647 -9.744 -10.765 -2.974 1.00 0.85 C ATOM 432 C ASN A 647 -11.134 -10.417 -2.459 1.00 0.79 C ATOM 433 O ASN A 647 -11.835 -9.631 -3.094 1.00 0.68 O ATOM 434 CB ASN A 647 -8.671 -10.090 -2.113 1.00 0.92 C ATOM 435 CG ASN A 647 -7.677 -11.076 -1.518 1.00 1.47 C ATOM 436 OD1 ASN A 647 -8.005 -12.231 -1.250 1.00 2.38 O ATOM 437 ND2 ASN A 647 -6.453 -10.625 -1.292 1.00 1.39 N ATOM 0 H ASN A 647 -9.897 -9.397 -4.561 1.00 0.74 H new ATOM 0 HA ASN A 647 -9.609 -11.845 -2.912 1.00 0.85 H new ATOM 0 HB2 ASN A 647 -8.133 -9.361 -2.719 1.00 0.92 H new ATOM 0 HB3 ASN A 647 -9.154 -9.539 -1.306 1.00 0.92 H new ATOM 0 HD21 ASN A 647 -5.750 -11.241 -0.884 1.00 1.39 H new ATOM 0 HD22 ASN A 647 -6.213 -9.662 -1.526 1.00 1.39 H new ATOM 444 N PRO A 648 -11.577 -10.999 -1.327 1.00 0.89 N ATOM 445 CA PRO A 648 -12.848 -10.622 -0.697 1.00 0.90 C ATOM 446 C PRO A 648 -12.994 -9.108 -0.541 1.00 0.81 C ATOM 447 O PRO A 648 -14.097 -8.566 -0.633 1.00 0.82 O ATOM 448 CB PRO A 648 -12.773 -11.295 0.674 1.00 1.08 C ATOM 449 CG PRO A 648 -11.915 -12.491 0.455 1.00 1.30 C ATOM 450 CD PRO A 648 -10.919 -12.106 -0.607 1.00 1.04 C ATOM 0 HA PRO A 648 -13.707 -10.929 -1.294 1.00 0.90 H new ATOM 0 HB2 PRO A 648 -12.341 -10.628 1.420 1.00 1.08 H new ATOM 0 HB3 PRO A 648 -13.763 -11.577 1.033 1.00 1.08 H new ATOM 0 HG2 PRO A 648 -11.409 -12.781 1.376 1.00 1.30 H new ATOM 0 HG3 PRO A 648 -12.512 -13.345 0.137 1.00 1.30 H new ATOM 0 HD2 PRO A 648 -9.971 -11.791 -0.170 1.00 1.04 H new ATOM 0 HD3 PRO A 648 -10.701 -12.942 -1.272 1.00 1.04 H new ATOM 458 N GLN A 649 -11.873 -8.424 -0.342 1.00 0.80 N ATOM 459 CA GLN A 649 -11.882 -6.982 -0.197 1.00 0.82 C ATOM 460 C GLN A 649 -12.011 -6.313 -1.558 1.00 0.68 C ATOM 461 O GLN A 649 -12.626 -5.268 -1.686 1.00 0.71 O ATOM 462 CB GLN A 649 -10.609 -6.523 0.498 1.00 1.02 C ATOM 463 CG GLN A 649 -9.370 -7.282 0.048 1.00 0.92 C ATOM 464 CD GLN A 649 -8.998 -8.399 1.007 1.00 1.44 C ATOM 465 OE1 GLN A 649 -9.437 -9.537 0.854 1.00 2.04 O ATOM 466 NE2 GLN A 649 -8.192 -8.078 2.004 1.00 1.83 N ATOM 0 H GLN A 649 -10.948 -8.850 -0.278 1.00 0.80 H new ATOM 0 HA GLN A 649 -12.740 -6.695 0.411 1.00 0.82 H new ATOM 0 HB2 GLN A 649 -10.464 -5.459 0.309 1.00 1.02 H new ATOM 0 HB3 GLN A 649 -10.728 -6.642 1.575 1.00 1.02 H new ATOM 0 HG2 GLN A 649 -9.543 -7.700 -0.944 1.00 0.92 H new ATOM 0 HG3 GLN A 649 -8.534 -6.588 -0.040 1.00 0.92 H new ATOM 0 HE21 GLN A 649 -7.850 -7.122 2.095 1.00 1.83 H new ATOM 0 HE22 GLN A 649 -7.912 -8.787 2.682 1.00 1.83 H new ATOM 475 N SER A 650 -11.435 -6.944 -2.566 1.00 0.63 N ATOM 476 CA SER A 650 -11.463 -6.441 -3.927 1.00 0.61 C ATOM 477 C SER A 650 -12.849 -6.564 -4.532 1.00 0.63 C ATOM 478 O SER A 650 -13.245 -5.760 -5.375 1.00 0.67 O ATOM 479 CB SER A 650 -10.477 -7.231 -4.758 1.00 0.70 C ATOM 480 OG SER A 650 -9.272 -7.418 -4.041 1.00 1.56 O ATOM 0 H SER A 650 -10.932 -7.825 -2.462 1.00 0.63 H new ATOM 0 HA SER A 650 -11.194 -5.385 -3.915 1.00 0.61 H new ATOM 0 HB2 SER A 650 -10.905 -8.198 -5.022 1.00 0.70 H new ATOM 0 HB3 SER A 650 -10.275 -6.706 -5.692 1.00 0.70 H new ATOM 0 HG SER A 650 -9.147 -6.677 -3.412 1.00 1.56 H new ATOM 486 N LYS A 651 -13.584 -7.578 -4.108 1.00 0.66 N ATOM 487 CA LYS A 651 -14.944 -7.776 -4.580 1.00 0.74 C ATOM 488 C LYS A 651 -15.857 -6.727 -3.947 1.00 0.72 C ATOM 489 O LYS A 651 -17.001 -6.540 -4.359 1.00 0.78 O ATOM 490 CB LYS A 651 -15.417 -9.192 -4.244 1.00 0.87 C ATOM 491 CG LYS A 651 -16.572 -9.669 -5.108 1.00 1.53 C ATOM 492 CD LYS A 651 -16.858 -11.146 -4.890 1.00 1.63 C ATOM 493 CE LYS A 651 -17.859 -11.677 -5.903 1.00 2.38 C ATOM 494 NZ LYS A 651 -17.382 -11.495 -7.301 1.00 3.08 N ATOM 0 H LYS A 651 -13.262 -8.277 -3.438 1.00 0.66 H new ATOM 0 HA LYS A 651 -14.977 -7.660 -5.663 1.00 0.74 H new ATOM 0 HB2 LYS A 651 -14.581 -9.882 -4.357 1.00 0.87 H new ATOM 0 HB3 LYS A 651 -15.719 -9.226 -3.197 1.00 0.87 H new ATOM 0 HG2 LYS A 651 -17.464 -9.087 -4.878 1.00 1.53 H new ATOM 0 HG3 LYS A 651 -16.339 -9.494 -6.158 1.00 1.53 H new ATOM 0 HD2 LYS A 651 -15.929 -11.712 -4.964 1.00 1.63 H new ATOM 0 HD3 LYS A 651 -17.244 -11.298 -3.882 1.00 1.63 H new ATOM 0 HE2 LYS A 651 -18.039 -12.736 -5.715 1.00 2.38 H new ATOM 0 HE3 LYS A 651 -18.812 -11.164 -5.775 1.00 2.38 H new ATOM 0 HZ1 LYS A 651 -17.907 -12.133 -7.933 1.00 3.08 H new ATOM 0 HZ2 LYS A 651 -17.539 -10.510 -7.596 1.00 3.08 H new ATOM 0 HZ3 LYS A 651 -16.367 -11.715 -7.353 1.00 3.08 H new ATOM 508 N GLN A 652 -15.320 -6.037 -2.948 1.00 0.69 N ATOM 509 CA GLN A 652 -16.013 -4.940 -2.293 1.00 0.76 C ATOM 510 C GLN A 652 -15.360 -3.630 -2.703 1.00 0.71 C ATOM 511 O GLN A 652 -15.937 -2.550 -2.568 1.00 0.87 O ATOM 512 CB GLN A 652 -15.953 -5.111 -0.777 1.00 0.84 C ATOM 513 CG GLN A 652 -16.504 -6.442 -0.307 1.00 1.34 C ATOM 514 CD GLN A 652 -16.464 -6.593 1.198 1.00 1.94 C ATOM 515 OE1 GLN A 652 -17.399 -6.206 1.899 1.00 2.22 O ATOM 516 NE2 GLN A 652 -15.392 -7.183 1.703 1.00 2.75 N ATOM 0 H GLN A 652 -14.391 -6.224 -2.571 1.00 0.69 H new ATOM 0 HA GLN A 652 -17.060 -4.935 -2.595 1.00 0.76 H new ATOM 0 HB2 GLN A 652 -14.918 -5.016 -0.447 1.00 0.84 H new ATOM 0 HB3 GLN A 652 -16.514 -4.305 -0.304 1.00 0.84 H new ATOM 0 HG2 GLN A 652 -17.533 -6.546 -0.651 1.00 1.34 H new ATOM 0 HG3 GLN A 652 -15.932 -7.249 -0.764 1.00 1.34 H new ATOM 0 HE21 GLN A 652 -14.640 -7.489 1.086 1.00 2.75 H new ATOM 0 HE22 GLN A 652 -15.318 -7.332 2.709 1.00 2.75 H new ATOM 525 N PHE A 653 -14.148 -3.759 -3.221 1.00 0.56 N ATOM 526 CA PHE A 653 -13.390 -2.646 -3.740 1.00 0.51 C ATOM 527 C PHE A 653 -14.012 -2.135 -5.031 1.00 0.61 C ATOM 528 O PHE A 653 -14.453 -2.919 -5.873 1.00 0.87 O ATOM 529 CB PHE A 653 -11.971 -3.123 -4.036 1.00 0.44 C ATOM 530 CG PHE A 653 -10.913 -2.665 -3.070 1.00 0.43 C ATOM 531 CD1 PHE A 653 -11.095 -1.515 -2.307 1.00 0.58 C ATOM 532 CD2 PHE A 653 -9.761 -3.399 -2.887 1.00 0.52 C ATOM 533 CE1 PHE A 653 -10.155 -1.127 -1.387 1.00 0.66 C ATOM 534 CE2 PHE A 653 -8.811 -3.003 -1.972 1.00 0.58 C ATOM 535 CZ PHE A 653 -8.919 -1.772 -1.371 1.00 0.58 C ATOM 0 H PHE A 653 -13.663 -4.654 -3.291 1.00 0.56 H new ATOM 0 HA PHE A 653 -13.385 -1.841 -3.005 1.00 0.51 H new ATOM 0 HB2 PHE A 653 -11.971 -4.213 -4.056 1.00 0.44 H new ATOM 0 HB3 PHE A 653 -11.695 -2.785 -5.035 1.00 0.44 H new ATOM 0 HD1 PHE A 653 -11.987 -0.921 -2.441 1.00 0.58 H new ATOM 0 HD2 PHE A 653 -9.601 -4.295 -3.468 1.00 0.52 H new ATOM 0 HE1 PHE A 653 -10.369 -0.334 -0.686 1.00 0.66 H new ATOM 0 HE2 PHE A 653 -7.986 -3.656 -1.728 1.00 0.58 H new ATOM 0 HZ PHE A 653 -8.064 -1.314 -0.896 1.00 0.58 H new ATOM 545 N ASP A 654 -14.066 -0.823 -5.170 1.00 0.53 N ATOM 546 CA ASP A 654 -14.445 -0.212 -6.435 1.00 0.58 C ATOM 547 C ASP A 654 -13.272 -0.290 -7.399 1.00 0.58 C ATOM 548 O ASP A 654 -12.146 -0.571 -6.988 1.00 0.63 O ATOM 549 CB ASP A 654 -14.852 1.257 -6.257 1.00 0.65 C ATOM 550 CG ASP A 654 -16.302 1.449 -5.862 1.00 1.07 C ATOM 551 OD1 ASP A 654 -17.193 1.237 -6.713 1.00 1.47 O ATOM 552 OD2 ASP A 654 -16.560 1.767 -4.681 1.00 1.77 O ATOM 0 H ASP A 654 -13.853 -0.159 -4.425 1.00 0.53 H new ATOM 0 HA ASP A 654 -15.304 -0.756 -6.828 1.00 0.58 H new ATOM 0 HB2 ASP A 654 -14.216 1.711 -5.497 1.00 0.65 H new ATOM 0 HB3 ASP A 654 -14.666 1.791 -7.189 1.00 0.65 H new ATOM 557 N HIS A 655 -13.515 -0.017 -8.662 1.00 0.63 N ATOM 558 CA HIS A 655 -12.436 -0.020 -9.647 1.00 0.67 C ATOM 559 C HIS A 655 -11.508 1.161 -9.384 1.00 0.63 C ATOM 560 O HIS A 655 -10.283 1.027 -9.391 1.00 0.65 O ATOM 561 CB HIS A 655 -12.990 0.032 -11.072 1.00 0.83 C ATOM 562 CG HIS A 655 -11.924 0.025 -12.130 1.00 1.61 C ATOM 563 ND1 HIS A 655 -11.744 1.056 -13.025 1.00 2.50 N ATOM 564 CD2 HIS A 655 -10.972 -0.894 -12.426 1.00 2.36 C ATOM 565 CE1 HIS A 655 -10.734 0.774 -13.824 1.00 3.36 C ATOM 566 NE2 HIS A 655 -10.246 -0.404 -13.484 1.00 3.28 N ATOM 0 H HIS A 655 -14.437 0.209 -9.036 1.00 0.63 H new ATOM 0 HA HIS A 655 -11.873 -0.948 -9.550 1.00 0.67 H new ATOM 0 HB2 HIS A 655 -13.651 -0.821 -11.228 1.00 0.83 H new ATOM 0 HB3 HIS A 655 -13.597 0.930 -11.185 1.00 0.83 H new ATOM 0 HD2 HIS A 655 -10.814 -1.837 -11.923 1.00 2.36 H new ATOM 0 HE1 HIS A 655 -10.367 1.402 -14.623 1.00 3.36 H new ATOM 0 HE2 HIS A 655 -9.459 -0.873 -13.933 1.00 3.28 H new ATOM 575 N GLU A 656 -12.118 2.311 -9.131 1.00 0.64 N ATOM 576 CA GLU A 656 -11.401 3.513 -8.722 1.00 0.64 C ATOM 577 C GLU A 656 -10.651 3.262 -7.414 1.00 0.50 C ATOM 578 O GLU A 656 -9.548 3.765 -7.196 1.00 0.54 O ATOM 579 CB GLU A 656 -12.406 4.655 -8.536 1.00 0.75 C ATOM 580 CG GLU A 656 -13.525 4.310 -7.560 1.00 0.82 C ATOM 581 CD GLU A 656 -14.738 5.201 -7.715 1.00 1.30 C ATOM 582 OE1 GLU A 656 -15.633 4.871 -8.515 1.00 1.32 O ATOM 583 OE2 GLU A 656 -14.792 6.248 -7.036 1.00 2.14 O ATOM 0 H GLU A 656 -13.127 2.438 -9.204 1.00 0.64 H new ATOM 0 HA GLU A 656 -10.676 3.782 -9.491 1.00 0.64 H new ATOM 0 HB2 GLU A 656 -11.880 5.540 -8.179 1.00 0.75 H new ATOM 0 HB3 GLU A 656 -12.840 4.911 -9.503 1.00 0.75 H new ATOM 0 HG2 GLU A 656 -13.822 3.272 -7.708 1.00 0.82 H new ATOM 0 HG3 GLU A 656 -13.149 4.392 -6.540 1.00 0.82 H new ATOM 590 N ASN A 657 -11.266 2.457 -6.568 1.00 0.44 N ATOM 591 CA ASN A 657 -10.785 2.198 -5.231 1.00 0.41 C ATOM 592 C ASN A 657 -9.536 1.323 -5.262 1.00 0.32 C ATOM 593 O ASN A 657 -8.533 1.626 -4.615 1.00 0.33 O ATOM 594 CB ASN A 657 -11.902 1.480 -4.499 1.00 0.57 C ATOM 595 CG ASN A 657 -11.762 1.472 -3.009 1.00 0.89 C ATOM 596 OD1 ASN A 657 -10.681 1.651 -2.461 1.00 1.88 O ATOM 597 ND2 ASN A 657 -12.875 1.230 -2.347 1.00 0.72 N ATOM 0 H ASN A 657 -12.126 1.959 -6.797 1.00 0.44 H new ATOM 0 HA ASN A 657 -10.516 3.130 -4.734 1.00 0.41 H new ATOM 0 HB2 ASN A 657 -12.851 1.949 -4.760 1.00 0.57 H new ATOM 0 HB3 ASN A 657 -11.948 0.450 -4.853 1.00 0.57 H new ATOM 0 HD21 ASN A 657 -12.863 1.184 -1.328 1.00 0.72 H new ATOM 0 HD22 ASN A 657 -13.749 1.088 -2.853 1.00 0.72 H new ATOM 604 N ILE A 658 -9.604 0.252 -6.043 1.00 0.32 N ATOM 605 CA ILE A 658 -8.497 -0.690 -6.164 1.00 0.32 C ATOM 606 C ILE A 658 -7.247 -0.006 -6.727 1.00 0.31 C ATOM 607 O ILE A 658 -6.124 -0.296 -6.301 1.00 0.34 O ATOM 608 CB ILE A 658 -8.905 -1.911 -7.035 1.00 0.39 C ATOM 609 CG1 ILE A 658 -9.528 -3.002 -6.153 1.00 0.37 C ATOM 610 CG2 ILE A 658 -7.719 -2.469 -7.817 1.00 0.46 C ATOM 611 CD1 ILE A 658 -9.922 -4.254 -6.901 1.00 0.43 C ATOM 0 H ILE A 658 -10.420 0.013 -6.606 1.00 0.32 H new ATOM 0 HA ILE A 658 -8.254 -1.053 -5.165 1.00 0.32 H new ATOM 0 HB ILE A 658 -9.644 -1.572 -7.761 1.00 0.39 H new ATOM 0 HG12 ILE A 658 -8.819 -3.269 -5.369 1.00 0.37 H new ATOM 0 HG13 ILE A 658 -10.410 -2.594 -5.659 1.00 0.37 H new ATOM 0 HG21 ILE A 658 -8.045 -3.321 -8.413 1.00 0.46 H new ATOM 0 HG22 ILE A 658 -7.321 -1.696 -8.475 1.00 0.46 H new ATOM 0 HG23 ILE A 658 -6.943 -2.788 -7.122 1.00 0.46 H new ATOM 0 HD11 ILE A 658 -10.354 -4.973 -6.205 1.00 0.43 H new ATOM 0 HD12 ILE A 658 -10.657 -4.004 -7.667 1.00 0.43 H new ATOM 0 HD13 ILE A 658 -9.041 -4.689 -7.372 1.00 0.43 H new ATOM 623 N LYS A 659 -7.450 0.918 -7.662 1.00 0.32 N ATOM 624 CA LYS A 659 -6.347 1.680 -8.241 1.00 0.37 C ATOM 625 C LYS A 659 -5.607 2.468 -7.166 1.00 0.34 C ATOM 626 O LYS A 659 -4.374 2.511 -7.148 1.00 0.37 O ATOM 627 CB LYS A 659 -6.862 2.640 -9.316 1.00 0.48 C ATOM 628 CG LYS A 659 -7.373 1.945 -10.567 1.00 1.37 C ATOM 629 CD LYS A 659 -7.964 2.942 -11.554 1.00 1.85 C ATOM 630 CE LYS A 659 -6.940 3.974 -12.005 1.00 2.61 C ATOM 631 NZ LYS A 659 -5.835 3.370 -12.795 1.00 3.38 N ATOM 0 H LYS A 659 -8.369 1.157 -8.035 1.00 0.32 H new ATOM 0 HA LYS A 659 -5.656 0.971 -8.696 1.00 0.37 H new ATOM 0 HB2 LYS A 659 -7.665 3.245 -8.895 1.00 0.48 H new ATOM 0 HB3 LYS A 659 -6.060 3.323 -9.594 1.00 0.48 H new ATOM 0 HG2 LYS A 659 -6.557 1.401 -11.042 1.00 1.37 H new ATOM 0 HG3 LYS A 659 -8.130 1.210 -10.293 1.00 1.37 H new ATOM 0 HD2 LYS A 659 -8.347 2.408 -12.423 1.00 1.85 H new ATOM 0 HD3 LYS A 659 -8.811 3.450 -11.093 1.00 1.85 H new ATOM 0 HE2 LYS A 659 -7.437 4.736 -12.605 1.00 2.61 H new ATOM 0 HE3 LYS A 659 -6.525 4.476 -11.131 1.00 2.61 H new ATOM 0 HZ1 LYS A 659 -5.220 4.123 -13.164 1.00 3.38 H new ATOM 0 HZ2 LYS A 659 -5.279 2.736 -12.186 1.00 3.38 H new ATOM 0 HZ3 LYS A 659 -6.232 2.827 -13.588 1.00 3.38 H new ATOM 645 N GLN A 660 -6.370 3.075 -6.266 1.00 0.34 N ATOM 646 CA GLN A 660 -5.805 3.901 -5.210 1.00 0.38 C ATOM 647 C GLN A 660 -5.025 3.049 -4.217 1.00 0.31 C ATOM 648 O GLN A 660 -3.872 3.349 -3.910 1.00 0.31 O ATOM 649 CB GLN A 660 -6.912 4.666 -4.486 1.00 0.50 C ATOM 650 CG GLN A 660 -6.400 5.581 -3.385 1.00 1.28 C ATOM 651 CD GLN A 660 -7.510 6.364 -2.710 1.00 1.78 C ATOM 652 OE1 GLN A 660 -7.424 6.680 -1.525 1.00 1.90 O ATOM 653 NE2 GLN A 660 -8.550 6.704 -3.459 1.00 2.71 N ATOM 0 H GLN A 660 -7.388 3.009 -6.248 1.00 0.34 H new ATOM 0 HA GLN A 660 -5.120 4.616 -5.666 1.00 0.38 H new ATOM 0 HB2 GLN A 660 -7.466 5.260 -5.212 1.00 0.50 H new ATOM 0 HB3 GLN A 660 -7.614 3.952 -4.056 1.00 0.50 H new ATOM 0 HG2 GLN A 660 -5.875 4.985 -2.638 1.00 1.28 H new ATOM 0 HG3 GLN A 660 -5.674 6.277 -3.805 1.00 1.28 H new ATOM 0 HE21 GLN A 660 -8.586 6.424 -4.439 1.00 2.71 H new ATOM 0 HE22 GLN A 660 -9.314 7.246 -3.055 1.00 2.71 H new ATOM 662 N CYS A 661 -5.657 1.979 -3.738 1.00 0.27 N ATOM 663 CA CYS A 661 -5.051 1.113 -2.735 1.00 0.26 C ATOM 664 C CYS A 661 -3.694 0.601 -3.191 1.00 0.23 C ATOM 665 O CYS A 661 -2.712 0.712 -2.461 1.00 0.25 O ATOM 666 CB CYS A 661 -5.967 -0.067 -2.408 1.00 0.28 C ATOM 667 SG CYS A 661 -5.272 -1.229 -1.215 1.00 0.30 S ATOM 0 H CYS A 661 -6.591 1.693 -4.031 1.00 0.27 H new ATOM 0 HA CYS A 661 -4.909 1.711 -1.835 1.00 0.26 H new ATOM 0 HB2 CYS A 661 -6.911 0.316 -2.019 1.00 0.28 H new ATOM 0 HB3 CYS A 661 -6.196 -0.602 -3.330 1.00 0.28 H new ATOM 0 HG CYS A 661 -4.928 -0.590 -0.137 1.00 0.30 H new ATOM 673 N ALA A 662 -3.639 0.061 -4.403 1.00 0.23 N ATOM 674 CA ALA A 662 -2.414 -0.530 -4.923 1.00 0.25 C ATOM 675 C ALA A 662 -1.289 0.497 -5.017 1.00 0.24 C ATOM 676 O ALA A 662 -0.185 0.284 -4.509 1.00 0.24 O ATOM 677 CB ALA A 662 -2.671 -1.156 -6.286 1.00 0.32 C ATOM 0 H ALA A 662 -4.431 0.021 -5.044 1.00 0.23 H new ATOM 0 HA ALA A 662 -2.097 -1.305 -4.226 1.00 0.25 H new ATOM 0 HB1 ALA A 662 -1.748 -1.595 -6.665 1.00 0.32 H new ATOM 0 HB2 ALA A 662 -3.430 -1.933 -6.192 1.00 0.32 H new ATOM 0 HB3 ALA A 662 -3.019 -0.390 -6.978 1.00 0.32 H new ATOM 683 N LYS A 663 -1.570 1.618 -5.654 1.00 0.27 N ATOM 684 CA LYS A 663 -0.549 2.628 -5.872 1.00 0.30 C ATOM 685 C LYS A 663 -0.137 3.307 -4.568 1.00 0.26 C ATOM 686 O LYS A 663 1.039 3.623 -4.367 1.00 0.29 O ATOM 687 CB LYS A 663 -1.034 3.658 -6.890 1.00 0.40 C ATOM 688 CG LYS A 663 -0.981 3.152 -8.323 1.00 1.19 C ATOM 689 CD LYS A 663 -1.564 4.157 -9.300 1.00 1.51 C ATOM 690 CE LYS A 663 -1.202 3.820 -10.739 1.00 2.61 C ATOM 691 NZ LYS A 663 -1.624 2.445 -11.125 1.00 3.57 N ATOM 0 H LYS A 663 -2.490 1.852 -6.028 1.00 0.27 H new ATOM 0 HA LYS A 663 0.335 2.129 -6.269 1.00 0.30 H new ATOM 0 HB2 LYS A 663 -2.058 3.943 -6.649 1.00 0.40 H new ATOM 0 HB3 LYS A 663 -0.424 4.558 -6.806 1.00 0.40 H new ATOM 0 HG2 LYS A 663 0.053 2.939 -8.595 1.00 1.19 H new ATOM 0 HG3 LYS A 663 -1.530 2.213 -8.397 1.00 1.19 H new ATOM 0 HD2 LYS A 663 -2.649 4.180 -9.194 1.00 1.51 H new ATOM 0 HD3 LYS A 663 -1.198 5.155 -9.057 1.00 1.51 H new ATOM 0 HE2 LYS A 663 -1.672 4.542 -11.407 1.00 2.61 H new ATOM 0 HE3 LYS A 663 -0.124 3.917 -10.872 1.00 2.61 H new ATOM 0 HZ1 LYS A 663 -1.463 2.305 -12.143 1.00 3.57 H new ATOM 0 HZ2 LYS A 663 -1.069 1.748 -10.588 1.00 3.57 H new ATOM 0 HZ3 LYS A 663 -2.635 2.320 -10.914 1.00 3.57 H new ATOM 705 N ASP A 664 -1.091 3.524 -3.679 1.00 0.25 N ATOM 706 CA ASP A 664 -0.808 4.244 -2.445 1.00 0.29 C ATOM 707 C ASP A 664 -0.154 3.365 -1.390 1.00 0.25 C ATOM 708 O ASP A 664 0.634 3.865 -0.595 1.00 0.30 O ATOM 709 CB ASP A 664 -2.064 4.917 -1.896 1.00 0.38 C ATOM 710 CG ASP A 664 -2.298 6.271 -2.534 1.00 1.03 C ATOM 711 OD1 ASP A 664 -1.999 6.433 -3.737 1.00 1.72 O ATOM 712 OD2 ASP A 664 -2.823 7.175 -1.845 1.00 1.60 O ATOM 0 H ASP A 664 -2.058 3.217 -3.784 1.00 0.25 H new ATOM 0 HA ASP A 664 -0.086 5.021 -2.698 1.00 0.29 H new ATOM 0 HB2 ASP A 664 -2.928 4.276 -2.074 1.00 0.38 H new ATOM 0 HB3 ASP A 664 -1.972 5.034 -0.816 1.00 0.38 H new ATOM 717 N ILE A 665 -0.453 2.067 -1.373 1.00 0.23 N ATOM 718 CA ILE A 665 0.226 1.166 -0.438 1.00 0.24 C ATOM 719 C ILE A 665 1.704 1.083 -0.793 1.00 0.25 C ATOM 720 O ILE A 665 2.565 1.057 0.088 1.00 0.29 O ATOM 721 CB ILE A 665 -0.389 -0.259 -0.394 1.00 0.24 C ATOM 722 CG1 ILE A 665 0.323 -1.133 0.646 1.00 0.29 C ATOM 723 CG2 ILE A 665 -0.319 -0.927 -1.753 1.00 0.23 C ATOM 724 CD1 ILE A 665 -0.499 -2.318 1.086 1.00 0.38 C ATOM 0 H ILE A 665 -1.143 1.622 -1.979 1.00 0.23 H new ATOM 0 HA ILE A 665 0.094 1.588 0.558 1.00 0.24 H new ATOM 0 HB ILE A 665 -1.436 -0.152 -0.109 1.00 0.24 H new ATOM 0 HG12 ILE A 665 1.266 -1.487 0.230 1.00 0.29 H new ATOM 0 HG13 ILE A 665 0.567 -0.525 1.517 1.00 0.29 H new ATOM 0 HG21 ILE A 665 -0.757 -1.923 -1.692 1.00 0.23 H new ATOM 0 HG22 ILE A 665 -0.872 -0.332 -2.480 1.00 0.23 H new ATOM 0 HG23 ILE A 665 0.722 -1.007 -2.066 1.00 0.23 H new ATOM 0 HD11 ILE A 665 0.060 -2.896 1.822 1.00 0.38 H new ATOM 0 HD12 ILE A 665 -1.431 -1.969 1.531 1.00 0.38 H new ATOM 0 HD13 ILE A 665 -0.722 -2.947 0.224 1.00 0.38 H new ATOM 736 N VAL A 666 1.991 1.084 -2.094 1.00 0.24 N ATOM 737 CA VAL A 666 3.359 1.092 -2.571 1.00 0.27 C ATOM 738 C VAL A 666 4.071 2.378 -2.141 1.00 0.31 C ATOM 739 O VAL A 666 5.267 2.365 -1.864 1.00 0.40 O ATOM 740 CB VAL A 666 3.402 0.924 -4.109 1.00 0.27 C ATOM 741 CG1 VAL A 666 4.818 1.029 -4.641 1.00 0.34 C ATOM 742 CG2 VAL A 666 2.793 -0.412 -4.510 1.00 0.26 C ATOM 0 H VAL A 666 1.287 1.079 -2.832 1.00 0.24 H new ATOM 0 HA VAL A 666 3.884 0.248 -2.125 1.00 0.27 H new ATOM 0 HB VAL A 666 2.817 1.733 -4.547 1.00 0.27 H new ATOM 0 HG11 VAL A 666 4.810 0.906 -5.724 1.00 0.34 H new ATOM 0 HG12 VAL A 666 5.230 2.007 -4.390 1.00 0.34 H new ATOM 0 HG13 VAL A 666 5.434 0.250 -4.192 1.00 0.34 H new ATOM 0 HG21 VAL A 666 2.829 -0.518 -5.594 1.00 0.26 H new ATOM 0 HG22 VAL A 666 3.356 -1.222 -4.047 1.00 0.26 H new ATOM 0 HG23 VAL A 666 1.756 -0.454 -4.176 1.00 0.26 H new ATOM 752 N LYS A 667 3.328 3.486 -2.072 1.00 0.31 N ATOM 753 CA LYS A 667 3.893 4.756 -1.601 1.00 0.38 C ATOM 754 C LYS A 667 4.083 4.775 -0.082 1.00 0.31 C ATOM 755 O LYS A 667 5.179 5.027 0.422 1.00 0.37 O ATOM 756 CB LYS A 667 2.985 5.936 -1.959 1.00 0.53 C ATOM 757 CG LYS A 667 2.660 6.081 -3.431 1.00 0.94 C ATOM 758 CD LYS A 667 1.883 7.365 -3.675 1.00 1.55 C ATOM 759 CE LYS A 667 1.317 7.442 -5.081 1.00 2.46 C ATOM 760 NZ LYS A 667 0.222 6.462 -5.297 1.00 3.48 N ATOM 0 H LYS A 667 2.343 3.531 -2.333 1.00 0.31 H new ATOM 0 HA LYS A 667 4.860 4.849 -2.096 1.00 0.38 H new ATOM 0 HB2 LYS A 667 2.051 5.835 -1.406 1.00 0.53 H new ATOM 0 HB3 LYS A 667 3.460 6.855 -1.617 1.00 0.53 H new ATOM 0 HG2 LYS A 667 3.580 6.088 -4.015 1.00 0.94 H new ATOM 0 HG3 LYS A 667 2.076 5.225 -3.768 1.00 0.94 H new ATOM 0 HD2 LYS A 667 1.068 7.436 -2.954 1.00 1.55 H new ATOM 0 HD3 LYS A 667 2.537 8.220 -3.502 1.00 1.55 H new ATOM 0 HE2 LYS A 667 0.943 8.449 -5.266 1.00 2.46 H new ATOM 0 HE3 LYS A 667 2.114 7.260 -5.802 1.00 2.46 H new ATOM 0 HZ1 LYS A 667 -0.373 6.775 -6.090 1.00 3.48 H new ATOM 0 HZ2 LYS A 667 0.628 5.530 -5.516 1.00 3.48 H new ATOM 0 HZ3 LYS A 667 -0.357 6.393 -4.436 1.00 3.48 H new ATOM 774 N ILE A 668 3.010 4.503 0.648 1.00 0.25 N ATOM 775 CA ILE A 668 2.988 4.763 2.081 1.00 0.26 C ATOM 776 C ILE A 668 3.803 3.744 2.874 1.00 0.27 C ATOM 777 O ILE A 668 4.531 4.120 3.794 1.00 0.32 O ATOM 778 CB ILE A 668 1.545 4.832 2.645 1.00 0.30 C ATOM 779 CG1 ILE A 668 1.576 5.206 4.131 1.00 1.14 C ATOM 780 CG2 ILE A 668 0.807 3.515 2.441 1.00 0.87 C ATOM 781 CD1 ILE A 668 0.204 5.369 4.746 1.00 1.73 C ATOM 0 H ILE A 668 2.148 4.105 0.275 1.00 0.25 H new ATOM 0 HA ILE A 668 3.454 5.741 2.204 1.00 0.26 H new ATOM 0 HB ILE A 668 1.004 5.604 2.097 1.00 0.30 H new ATOM 0 HG12 ILE A 668 2.121 4.437 4.679 1.00 1.14 H new ATOM 0 HG13 ILE A 668 2.131 6.136 4.251 1.00 1.14 H new ATOM 0 HG21 ILE A 668 -0.201 3.596 2.847 1.00 0.87 H new ATOM 0 HG22 ILE A 668 0.752 3.290 1.376 1.00 0.87 H new ATOM 0 HG23 ILE A 668 1.341 2.715 2.954 1.00 0.87 H new ATOM 0 HD11 ILE A 668 0.306 5.633 5.799 1.00 1.73 H new ATOM 0 HD12 ILE A 668 -0.337 6.158 4.224 1.00 1.73 H new ATOM 0 HD13 ILE A 668 -0.347 4.433 4.659 1.00 1.73 H new ATOM 793 N LEU A 669 3.715 2.469 2.512 1.00 0.25 N ATOM 794 CA LEU A 669 4.358 1.436 3.308 1.00 0.29 C ATOM 795 C LEU A 669 5.875 1.592 3.258 1.00 0.30 C ATOM 796 O LEU A 669 6.550 1.425 4.272 1.00 0.37 O ATOM 797 CB LEU A 669 3.923 0.035 2.861 1.00 0.29 C ATOM 798 CG LEU A 669 3.566 -0.926 4.005 1.00 0.35 C ATOM 799 CD1 LEU A 669 2.948 -2.200 3.457 1.00 0.37 C ATOM 800 CD2 LEU A 669 4.792 -1.246 4.851 1.00 0.39 C ATOM 0 H LEU A 669 3.215 2.132 1.689 1.00 0.25 H new ATOM 0 HA LEU A 669 4.039 1.556 4.343 1.00 0.29 H new ATOM 0 HB2 LEU A 669 3.059 0.131 2.203 1.00 0.29 H new ATOM 0 HB3 LEU A 669 4.725 -0.408 2.271 1.00 0.29 H new ATOM 0 HG LEU A 669 2.834 -0.434 4.645 1.00 0.35 H new ATOM 0 HD11 LEU A 669 2.702 -2.869 4.282 1.00 0.37 H new ATOM 0 HD12 LEU A 669 2.041 -1.956 2.904 1.00 0.37 H new ATOM 0 HD13 LEU A 669 3.657 -2.691 2.791 1.00 0.37 H new ATOM 0 HD21 LEU A 669 4.512 -1.928 5.654 1.00 0.39 H new ATOM 0 HD22 LEU A 669 5.553 -1.714 4.226 1.00 0.39 H new ATOM 0 HD23 LEU A 669 5.189 -0.326 5.279 1.00 0.39 H new ATOM 812 N THR A 670 6.410 1.956 2.097 1.00 0.27 N ATOM 813 CA THR A 670 7.841 2.198 1.984 1.00 0.30 C ATOM 814 C THR A 670 8.233 3.459 2.750 1.00 0.33 C ATOM 815 O THR A 670 9.314 3.521 3.329 1.00 0.37 O ATOM 816 CB THR A 670 8.322 2.306 0.518 1.00 0.33 C ATOM 817 OG1 THR A 670 9.728 2.576 0.482 1.00 0.34 O ATOM 818 CG2 THR A 670 7.594 3.399 -0.239 1.00 0.37 C ATOM 0 H THR A 670 5.882 2.088 1.234 1.00 0.27 H new ATOM 0 HA THR A 670 8.335 1.331 2.422 1.00 0.30 H new ATOM 0 HB THR A 670 8.106 1.352 0.037 1.00 0.33 H new ATOM 0 HG1 THR A 670 10.225 1.738 0.588 1.00 0.34 H new ATOM 0 HG21 THR A 670 7.963 3.440 -1.264 1.00 0.37 H new ATOM 0 HG22 THR A 670 6.525 3.186 -0.246 1.00 0.37 H new ATOM 0 HG23 THR A 670 7.770 4.358 0.248 1.00 0.37 H new ATOM 826 N THR A 671 7.346 4.451 2.776 1.00 0.36 N ATOM 827 CA THR A 671 7.614 5.681 3.507 1.00 0.43 C ATOM 828 C THR A 671 7.702 5.400 5.010 1.00 0.45 C ATOM 829 O THR A 671 8.544 5.960 5.708 1.00 0.48 O ATOM 830 CB THR A 671 6.526 6.742 3.231 1.00 0.55 C ATOM 831 OG1 THR A 671 6.419 6.984 1.818 1.00 0.61 O ATOM 832 CG2 THR A 671 6.839 8.051 3.944 1.00 0.64 C ATOM 0 H THR A 671 6.443 4.426 2.302 1.00 0.36 H new ATOM 0 HA THR A 671 8.570 6.074 3.161 1.00 0.43 H new ATOM 0 HB THR A 671 5.580 6.356 3.611 1.00 0.55 H new ATOM 0 HG1 THR A 671 5.906 6.261 1.400 1.00 0.61 H new ATOM 0 HG21 THR A 671 6.055 8.778 3.731 1.00 0.64 H new ATOM 0 HG22 THR A 671 6.889 7.877 5.019 1.00 0.64 H new ATOM 0 HG23 THR A 671 7.797 8.436 3.594 1.00 0.64 H new ATOM 840 N LYS A 672 6.846 4.507 5.499 1.00 0.48 N ATOM 841 CA LYS A 672 6.862 4.136 6.908 1.00 0.58 C ATOM 842 C LYS A 672 8.129 3.354 7.238 1.00 0.51 C ATOM 843 O LYS A 672 8.750 3.566 8.279 1.00 0.56 O ATOM 844 CB LYS A 672 5.633 3.297 7.262 1.00 0.74 C ATOM 845 CG LYS A 672 4.309 3.980 6.957 1.00 1.19 C ATOM 846 CD LYS A 672 3.126 3.102 7.338 1.00 1.39 C ATOM 847 CE LYS A 672 2.644 3.364 8.759 1.00 1.74 C ATOM 848 NZ LYS A 672 3.717 3.195 9.776 1.00 2.10 N ATOM 0 H LYS A 672 6.137 4.030 4.943 1.00 0.48 H new ATOM 0 HA LYS A 672 6.843 5.052 7.498 1.00 0.58 H new ATOM 0 HB2 LYS A 672 5.679 2.355 6.715 1.00 0.74 H new ATOM 0 HB3 LYS A 672 5.667 3.051 8.323 1.00 0.74 H new ATOM 0 HG2 LYS A 672 4.252 4.924 7.499 1.00 1.19 H new ATOM 0 HG3 LYS A 672 4.258 4.219 5.895 1.00 1.19 H new ATOM 0 HD2 LYS A 672 2.307 3.278 6.641 1.00 1.39 H new ATOM 0 HD3 LYS A 672 3.408 2.054 7.240 1.00 1.39 H new ATOM 0 HE2 LYS A 672 2.248 4.378 8.822 1.00 1.74 H new ATOM 0 HE3 LYS A 672 1.822 2.686 8.989 1.00 1.74 H new ATOM 0 HZ1 LYS A 672 3.299 3.218 10.728 1.00 2.10 H new ATOM 0 HZ2 LYS A 672 4.194 2.283 9.629 1.00 2.10 H new ATOM 0 HZ3 LYS A 672 4.408 3.966 9.683 1.00 2.10 H new ATOM 862 N GLU A 673 8.513 2.459 6.335 1.00 0.46 N ATOM 863 CA GLU A 673 9.713 1.648 6.512 1.00 0.54 C ATOM 864 C GLU A 673 10.963 2.518 6.478 1.00 0.40 C ATOM 865 O GLU A 673 11.875 2.337 7.280 1.00 0.38 O ATOM 866 CB GLU A 673 9.789 0.582 5.419 1.00 0.79 C ATOM 867 CG GLU A 673 8.646 -0.420 5.464 1.00 0.39 C ATOM 868 CD GLU A 673 8.813 -1.468 6.545 1.00 0.66 C ATOM 869 OE1 GLU A 673 9.147 -1.088 7.693 1.00 1.30 O ATOM 870 OE2 GLU A 673 8.582 -2.663 6.272 1.00 1.22 O ATOM 0 H GLU A 673 8.008 2.276 5.468 1.00 0.46 H new ATOM 0 HA GLU A 673 9.659 1.161 7.486 1.00 0.54 H new ATOM 0 HB2 GLU A 673 9.793 1.072 4.445 1.00 0.79 H new ATOM 0 HB3 GLU A 673 10.734 0.047 5.511 1.00 0.79 H new ATOM 0 HG2 GLU A 673 7.710 0.114 5.626 1.00 0.39 H new ATOM 0 HG3 GLU A 673 8.567 -0.915 4.496 1.00 0.39 H new ATOM 877 N LEU A 674 10.982 3.469 5.551 1.00 0.37 N ATOM 878 CA LEU A 674 12.106 4.387 5.392 1.00 0.38 C ATOM 879 C LEU A 674 12.143 5.416 6.516 1.00 0.38 C ATOM 880 O LEU A 674 13.182 6.022 6.784 1.00 0.44 O ATOM 881 CB LEU A 674 12.017 5.087 4.035 1.00 0.48 C ATOM 882 CG LEU A 674 13.054 4.653 2.998 1.00 0.56 C ATOM 883 CD1 LEU A 674 14.459 4.788 3.556 1.00 0.85 C ATOM 884 CD2 LEU A 674 12.792 3.227 2.538 1.00 1.06 C ATOM 0 H LEU A 674 10.221 3.626 4.890 1.00 0.37 H new ATOM 0 HA LEU A 674 13.029 3.809 5.439 1.00 0.38 H new ATOM 0 HB2 LEU A 674 11.023 4.915 3.622 1.00 0.48 H new ATOM 0 HB3 LEU A 674 12.115 6.161 4.193 1.00 0.48 H new ATOM 0 HG LEU A 674 12.966 5.310 2.133 1.00 0.56 H new ATOM 0 HD11 LEU A 674 15.181 4.474 2.803 1.00 0.85 H new ATOM 0 HD12 LEU A 674 14.645 5.827 3.826 1.00 0.85 H new ATOM 0 HD13 LEU A 674 14.561 4.159 4.441 1.00 0.85 H new ATOM 0 HD21 LEU A 674 13.541 2.939 1.801 1.00 1.06 H new ATOM 0 HD22 LEU A 674 12.846 2.553 3.393 1.00 1.06 H new ATOM 0 HD23 LEU A 674 11.800 3.166 2.090 1.00 1.06 H new ATOM 896 N LYS A 675 11.008 5.623 7.164 1.00 0.39 N ATOM 897 CA LYS A 675 10.958 6.485 8.331 1.00 0.48 C ATOM 898 C LYS A 675 11.413 5.704 9.558 1.00 0.48 C ATOM 899 O LYS A 675 12.099 6.237 10.430 1.00 0.57 O ATOM 900 CB LYS A 675 9.550 7.039 8.545 1.00 0.59 C ATOM 901 CG LYS A 675 9.476 8.077 9.648 1.00 1.04 C ATOM 902 CD LYS A 675 8.078 8.640 9.799 1.00 1.53 C ATOM 903 CE LYS A 675 8.036 9.715 10.870 1.00 2.44 C ATOM 904 NZ LYS A 675 6.665 10.249 11.068 1.00 3.00 N ATOM 0 H LYS A 675 10.114 5.208 6.903 1.00 0.39 H new ATOM 0 HA LYS A 675 11.627 7.331 8.170 1.00 0.48 H new ATOM 0 HB2 LYS A 675 9.196 7.482 7.614 1.00 0.59 H new ATOM 0 HB3 LYS A 675 8.876 6.217 8.783 1.00 0.59 H new ATOM 0 HG2 LYS A 675 9.791 7.629 10.590 1.00 1.04 H new ATOM 0 HG3 LYS A 675 10.173 8.887 9.432 1.00 1.04 H new ATOM 0 HD2 LYS A 675 7.745 9.056 8.848 1.00 1.53 H new ATOM 0 HD3 LYS A 675 7.385 7.839 10.056 1.00 1.53 H new ATOM 0 HE2 LYS A 675 8.405 9.305 11.810 1.00 2.44 H new ATOM 0 HE3 LYS A 675 8.706 10.529 10.593 1.00 2.44 H new ATOM 0 HZ1 LYS A 675 6.681 10.980 11.807 1.00 3.00 H new ATOM 0 HZ2 LYS A 675 6.322 10.664 10.178 1.00 3.00 H new ATOM 0 HZ3 LYS A 675 6.030 9.478 11.357 1.00 3.00 H new ATOM 918 N LYS A 676 11.025 4.434 9.611 1.00 0.43 N ATOM 919 CA LYS A 676 11.446 3.543 10.681 1.00 0.48 C ATOM 920 C LYS A 676 12.956 3.340 10.611 1.00 0.42 C ATOM 921 O LYS A 676 13.662 3.474 11.613 1.00 0.50 O ATOM 922 CB LYS A 676 10.717 2.198 10.556 1.00 0.55 C ATOM 923 CG LYS A 676 10.838 1.312 11.785 1.00 1.42 C ATOM 924 CD LYS A 676 9.994 0.048 11.659 1.00 1.94 C ATOM 925 CE LYS A 676 10.749 -1.091 10.985 1.00 2.50 C ATOM 926 NZ LYS A 676 11.048 -0.828 9.550 1.00 3.41 N ATOM 0 H LYS A 676 10.415 3.998 8.919 1.00 0.43 H new ATOM 0 HA LYS A 676 11.194 3.986 11.644 1.00 0.48 H new ATOM 0 HB2 LYS A 676 9.662 2.386 10.359 1.00 0.55 H new ATOM 0 HB3 LYS A 676 11.112 1.661 9.694 1.00 0.55 H new ATOM 0 HG2 LYS A 676 11.882 1.038 11.934 1.00 1.42 H new ATOM 0 HG3 LYS A 676 10.526 1.871 12.668 1.00 1.42 H new ATOM 0 HD2 LYS A 676 9.671 -0.270 12.650 1.00 1.94 H new ATOM 0 HD3 LYS A 676 9.093 0.272 11.087 1.00 1.94 H new ATOM 0 HE2 LYS A 676 11.684 -1.265 11.518 1.00 2.50 H new ATOM 0 HE3 LYS A 676 10.161 -2.006 11.065 1.00 2.50 H new ATOM 0 HZ1 LYS A 676 11.310 -1.719 9.081 1.00 3.41 H new ATOM 0 HZ2 LYS A 676 10.207 -0.428 9.088 1.00 3.41 H new ATOM 0 HZ3 LYS A 676 11.837 -0.154 9.478 1.00 3.41 H new ATOM 940 N ASP A 677 13.434 3.036 9.413 1.00 0.37 N ATOM 941 CA ASP A 677 14.854 2.853 9.156 1.00 0.44 C ATOM 942 C ASP A 677 15.211 3.535 7.847 1.00 0.38 C ATOM 943 O ASP A 677 14.657 3.202 6.801 1.00 0.33 O ATOM 944 CB ASP A 677 15.213 1.368 9.044 1.00 0.60 C ATOM 945 CG ASP A 677 14.782 0.540 10.233 1.00 1.40 C ATOM 946 OD1 ASP A 677 13.597 0.163 10.300 1.00 2.13 O ATOM 947 OD2 ASP A 677 15.622 0.291 11.126 1.00 1.68 O ATOM 0 H ASP A 677 12.846 2.909 8.590 1.00 0.37 H new ATOM 0 HA ASP A 677 15.410 3.286 9.988 1.00 0.44 H new ATOM 0 HB2 ASP A 677 14.752 0.960 8.144 1.00 0.60 H new ATOM 0 HB3 ASP A 677 16.292 1.274 8.921 1.00 0.60 H new ATOM 952 N SER A 678 16.134 4.478 7.895 1.00 0.47 N ATOM 953 CA SER A 678 16.513 5.212 6.698 1.00 0.52 C ATOM 954 C SER A 678 17.333 4.328 5.760 1.00 0.47 C ATOM 955 O SER A 678 17.458 4.613 4.572 1.00 0.52 O ATOM 956 CB SER A 678 17.298 6.473 7.071 1.00 0.72 C ATOM 957 OG SER A 678 18.426 6.157 7.870 1.00 0.83 O ATOM 0 H SER A 678 16.632 4.753 8.741 1.00 0.47 H new ATOM 0 HA SER A 678 15.604 5.512 6.176 1.00 0.52 H new ATOM 0 HB2 SER A 678 17.623 6.984 6.165 1.00 0.72 H new ATOM 0 HB3 SER A 678 16.649 7.163 7.610 1.00 0.72 H new ATOM 0 HG SER A 678 18.910 6.980 8.092 1.00 0.83 H new ATOM 963 N SER A 679 17.892 3.255 6.299 1.00 0.45 N ATOM 964 CA SER A 679 18.624 2.299 5.491 1.00 0.48 C ATOM 965 C SER A 679 17.884 0.962 5.488 1.00 0.42 C ATOM 966 O SER A 679 18.492 -0.108 5.609 1.00 0.58 O ATOM 967 CB SER A 679 20.053 2.141 6.027 1.00 0.64 C ATOM 968 OG SER A 679 20.882 1.441 5.109 1.00 1.54 O ATOM 0 H SER A 679 17.851 3.027 7.292 1.00 0.45 H new ATOM 0 HA SER A 679 18.690 2.660 4.465 1.00 0.48 H new ATOM 0 HB2 SER A 679 20.479 3.125 6.225 1.00 0.64 H new ATOM 0 HB3 SER A 679 20.029 1.607 6.977 1.00 0.64 H new ATOM 0 HG SER A 679 20.446 0.603 4.847 1.00 1.54 H new ATOM 974 N ARG A 680 16.560 1.022 5.354 1.00 0.35 N ATOM 975 CA ARG A 680 15.756 -0.187 5.379 1.00 0.45 C ATOM 976 C ARG A 680 15.625 -0.757 3.979 1.00 0.34 C ATOM 977 O ARG A 680 14.802 -0.301 3.187 1.00 0.34 O ATOM 978 CB ARG A 680 14.366 0.085 5.954 1.00 0.64 C ATOM 979 CG ARG A 680 13.890 -0.973 6.940 1.00 0.66 C ATOM 980 CD ARG A 680 13.883 -2.368 6.336 1.00 1.09 C ATOM 981 NE ARG A 680 13.304 -3.344 7.258 1.00 1.07 N ATOM 982 CZ ARG A 680 12.028 -3.710 7.234 1.00 1.63 C ATOM 983 NH1 ARG A 680 11.237 -3.242 6.285 1.00 2.62 N ATOM 984 NH2 ARG A 680 11.550 -4.550 8.143 1.00 1.71 N ATOM 0 H ARG A 680 16.032 1.886 5.229 1.00 0.35 H new ATOM 0 HA ARG A 680 16.259 -0.910 6.021 1.00 0.45 H new ATOM 0 HB2 ARG A 680 14.372 1.055 6.451 1.00 0.64 H new ATOM 0 HB3 ARG A 680 13.651 0.152 5.134 1.00 0.64 H new ATOM 0 HG2 ARG A 680 14.536 -0.964 7.818 1.00 0.66 H new ATOM 0 HG3 ARG A 680 12.885 -0.723 7.280 1.00 0.66 H new ATOM 0 HD2 ARG A 680 13.314 -2.361 5.406 1.00 1.09 H new ATOM 0 HD3 ARG A 680 14.902 -2.663 6.084 1.00 1.09 H new ATOM 0 HE ARG A 680 13.914 -3.767 7.958 1.00 1.07 H new ATOM 0 HH11 ARG A 680 11.608 -2.606 5.580 1.00 2.62 H new ATOM 0 HH12 ARG A 680 10.255 -3.517 6.258 1.00 2.62 H new ATOM 0 HH21 ARG A 680 12.164 -4.920 8.868 1.00 1.71 H new ATOM 0 HH22 ARG A 680 10.568 -4.825 8.117 1.00 1.71 H new ATOM 998 N ALA A 681 16.450 -1.745 3.681 1.00 0.36 N ATOM 999 CA ALA A 681 16.385 -2.432 2.407 1.00 0.31 C ATOM 1000 C ALA A 681 15.108 -3.260 2.331 1.00 0.27 C ATOM 1001 O ALA A 681 14.754 -3.953 3.289 1.00 0.34 O ATOM 1002 CB ALA A 681 17.610 -3.315 2.223 1.00 0.40 C ATOM 0 H ALA A 681 17.176 -2.090 4.309 1.00 0.36 H new ATOM 0 HA ALA A 681 16.371 -1.695 1.604 1.00 0.31 H new ATOM 0 HB1 ALA A 681 17.549 -3.826 1.262 1.00 0.40 H new ATOM 0 HB2 ALA A 681 18.509 -2.700 2.251 1.00 0.40 H new ATOM 0 HB3 ALA A 681 17.650 -4.053 3.024 1.00 0.40 H new ATOM 1008 N PRO A 682 14.383 -3.172 1.208 1.00 0.24 N ATOM 1009 CA PRO A 682 13.165 -3.949 0.998 1.00 0.23 C ATOM 1010 C PRO A 682 13.460 -5.439 0.999 1.00 0.25 C ATOM 1011 O PRO A 682 14.378 -5.892 0.309 1.00 0.31 O ATOM 1012 CB PRO A 682 12.672 -3.509 -0.387 1.00 0.27 C ATOM 1013 CG PRO A 682 13.849 -2.875 -1.046 1.00 0.29 C ATOM 1014 CD PRO A 682 14.697 -2.312 0.059 1.00 0.31 C ATOM 0 HA PRO A 682 12.430 -3.781 1.785 1.00 0.23 H new ATOM 0 HB2 PRO A 682 12.311 -4.361 -0.964 1.00 0.27 H new ATOM 0 HB3 PRO A 682 11.843 -2.806 -0.303 1.00 0.27 H new ATOM 0 HG2 PRO A 682 14.407 -3.606 -1.631 1.00 0.29 H new ATOM 0 HG3 PRO A 682 13.534 -2.090 -1.733 1.00 0.29 H new ATOM 0 HD2 PRO A 682 15.757 -2.348 -0.191 1.00 0.31 H new ATOM 0 HD3 PRO A 682 14.453 -1.269 0.260 1.00 0.31 H new ATOM 1022 N PRO A 683 12.710 -6.225 1.790 1.00 0.25 N ATOM 1023 CA PRO A 683 12.883 -7.675 1.823 1.00 0.27 C ATOM 1024 C PRO A 683 12.685 -8.271 0.438 1.00 0.29 C ATOM 1025 O PRO A 683 11.970 -7.691 -0.381 1.00 0.38 O ATOM 1026 CB PRO A 683 11.796 -8.164 2.787 1.00 0.32 C ATOM 1027 CG PRO A 683 10.837 -7.029 2.901 1.00 0.38 C ATOM 1028 CD PRO A 683 11.642 -5.777 2.699 1.00 0.28 C ATOM 0 HA PRO A 683 13.883 -7.969 2.141 1.00 0.27 H new ATOM 0 HB2 PRO A 683 11.304 -9.059 2.405 1.00 0.32 H new ATOM 0 HB3 PRO A 683 12.218 -8.422 3.758 1.00 0.32 H new ATOM 0 HG2 PRO A 683 10.048 -7.109 2.153 1.00 0.38 H new ATOM 0 HG3 PRO A 683 10.352 -7.026 3.877 1.00 0.38 H new ATOM 0 HD2 PRO A 683 11.045 -4.978 2.260 1.00 0.28 H new ATOM 0 HD3 PRO A 683 12.043 -5.397 3.639 1.00 0.28 H new ATOM 1036 N ASP A 684 13.325 -9.402 0.179 1.00 0.37 N ATOM 1037 CA ASP A 684 13.315 -10.014 -1.148 1.00 0.47 C ATOM 1038 C ASP A 684 11.903 -10.110 -1.723 1.00 0.37 C ATOM 1039 O ASP A 684 11.604 -9.513 -2.759 1.00 0.40 O ATOM 1040 CB ASP A 684 13.962 -11.402 -1.101 1.00 0.70 C ATOM 1041 CG ASP A 684 15.462 -11.341 -0.894 1.00 1.52 C ATOM 1042 OD1 ASP A 684 16.207 -11.275 -1.899 1.00 2.04 O ATOM 1043 OD2 ASP A 684 15.907 -11.362 0.273 1.00 2.24 O ATOM 0 H ASP A 684 13.862 -9.920 0.874 1.00 0.37 H new ATOM 0 HA ASP A 684 13.896 -9.369 -1.807 1.00 0.47 H new ATOM 0 HB2 ASP A 684 13.511 -11.981 -0.295 1.00 0.70 H new ATOM 0 HB3 ASP A 684 13.749 -11.930 -2.031 1.00 0.70 H new ATOM 1048 N ASP A 685 11.048 -10.880 -1.075 1.00 0.36 N ATOM 1049 CA ASP A 685 9.666 -11.021 -1.517 1.00 0.39 C ATOM 1050 C ASP A 685 8.734 -11.207 -0.344 1.00 0.34 C ATOM 1051 O ASP A 685 9.157 -11.227 0.812 1.00 0.31 O ATOM 1052 CB ASP A 685 9.516 -12.173 -2.519 1.00 0.61 C ATOM 1053 CG ASP A 685 9.921 -13.521 -1.953 1.00 1.11 C ATOM 1054 OD1 ASP A 685 11.137 -13.809 -1.902 1.00 1.95 O ATOM 1055 OD2 ASP A 685 9.026 -14.310 -1.585 1.00 1.54 O ATOM 0 H ASP A 685 11.283 -11.418 -0.241 1.00 0.36 H new ATOM 0 HA ASP A 685 9.389 -10.097 -2.025 1.00 0.39 H new ATOM 0 HB2 ASP A 685 8.479 -12.223 -2.851 1.00 0.61 H new ATOM 0 HB3 ASP A 685 10.122 -11.960 -3.399 1.00 0.61 H new ATOM 1060 N LEU A 686 7.464 -11.326 -0.666 1.00 0.39 N ATOM 1061 CA LEU A 686 6.415 -11.434 0.321 1.00 0.39 C ATOM 1062 C LEU A 686 6.486 -12.783 1.026 1.00 0.40 C ATOM 1063 O LEU A 686 5.977 -13.792 0.529 1.00 0.47 O ATOM 1064 CB LEU A 686 5.072 -11.233 -0.386 1.00 0.51 C ATOM 1065 CG LEU A 686 3.875 -10.904 0.503 1.00 0.50 C ATOM 1066 CD1 LEU A 686 3.305 -12.166 1.100 1.00 1.27 C ATOM 1067 CD2 LEU A 686 4.271 -9.917 1.597 1.00 0.94 C ATOM 0 H LEU A 686 7.129 -11.351 -1.629 1.00 0.39 H new ATOM 0 HA LEU A 686 6.532 -10.670 1.089 1.00 0.39 H new ATOM 0 HB2 LEU A 686 5.187 -10.430 -1.114 1.00 0.51 H new ATOM 0 HB3 LEU A 686 4.842 -12.140 -0.945 1.00 0.51 H new ATOM 0 HG LEU A 686 3.106 -10.435 -0.111 1.00 0.50 H new ATOM 0 HD11 LEU A 686 2.452 -11.917 1.732 1.00 1.27 H new ATOM 0 HD12 LEU A 686 2.982 -12.833 0.301 1.00 1.27 H new ATOM 0 HD13 LEU A 686 4.068 -12.662 1.700 1.00 1.27 H new ATOM 0 HD21 LEU A 686 3.404 -9.696 2.219 1.00 0.94 H new ATOM 0 HD22 LEU A 686 5.058 -10.353 2.213 1.00 0.94 H new ATOM 0 HD23 LEU A 686 4.635 -8.996 1.142 1.00 0.94 H new ATOM 1079 N THR A 687 7.147 -12.790 2.169 1.00 0.40 N ATOM 1080 CA THR A 687 7.212 -13.962 3.013 1.00 0.47 C ATOM 1081 C THR A 687 6.046 -13.950 3.991 1.00 0.42 C ATOM 1082 O THR A 687 5.419 -12.909 4.172 1.00 0.46 O ATOM 1083 CB THR A 687 8.544 -14.011 3.782 1.00 0.58 C ATOM 1084 OG1 THR A 687 8.743 -12.781 4.495 1.00 0.76 O ATOM 1085 CG2 THR A 687 9.712 -14.246 2.837 1.00 1.00 C ATOM 0 H THR A 687 7.652 -11.983 2.535 1.00 0.40 H new ATOM 0 HA THR A 687 7.151 -14.849 2.383 1.00 0.47 H new ATOM 0 HB THR A 687 8.498 -14.840 4.488 1.00 0.58 H new ATOM 0 HG1 THR A 687 9.592 -12.820 4.984 1.00 0.76 H new ATOM 0 HG21 THR A 687 10.641 -14.276 3.407 1.00 1.00 H new ATOM 0 HG22 THR A 687 9.574 -15.194 2.317 1.00 1.00 H new ATOM 0 HG23 THR A 687 9.759 -13.436 2.109 1.00 1.00 H new ATOM 1093 N LYS A 688 5.753 -15.076 4.625 1.00 0.42 N ATOM 1094 CA LYS A 688 4.600 -15.160 5.522 1.00 0.41 C ATOM 1095 C LYS A 688 4.719 -14.166 6.683 1.00 0.35 C ATOM 1096 O LYS A 688 3.709 -13.687 7.208 1.00 0.34 O ATOM 1097 CB LYS A 688 4.432 -16.587 6.047 1.00 0.54 C ATOM 1098 CG LYS A 688 5.643 -17.117 6.790 1.00 1.39 C ATOM 1099 CD LYS A 688 5.528 -18.611 7.035 1.00 1.84 C ATOM 1100 CE LYS A 688 6.759 -19.158 7.736 1.00 2.44 C ATOM 1101 NZ LYS A 688 6.810 -20.643 7.692 1.00 2.94 N ATOM 0 H LYS A 688 6.290 -15.939 4.539 1.00 0.42 H new ATOM 0 HA LYS A 688 3.712 -14.893 4.949 1.00 0.41 H new ATOM 0 HB2 LYS A 688 3.568 -16.620 6.711 1.00 0.54 H new ATOM 0 HB3 LYS A 688 4.215 -17.249 5.208 1.00 0.54 H new ATOM 0 HG2 LYS A 688 6.545 -16.909 6.215 1.00 1.39 H new ATOM 0 HG3 LYS A 688 5.745 -16.597 7.742 1.00 1.39 H new ATOM 0 HD2 LYS A 688 4.644 -18.814 7.639 1.00 1.84 H new ATOM 0 HD3 LYS A 688 5.390 -19.127 6.085 1.00 1.84 H new ATOM 0 HE2 LYS A 688 7.655 -18.750 7.267 1.00 2.44 H new ATOM 0 HE3 LYS A 688 6.763 -18.826 8.774 1.00 2.44 H new ATOM 0 HZ1 LYS A 688 7.665 -20.976 8.181 1.00 2.94 H new ATOM 0 HZ2 LYS A 688 5.968 -21.033 8.162 1.00 2.94 H new ATOM 0 HZ3 LYS A 688 6.832 -20.960 6.702 1.00 2.94 H new ATOM 1115 N GLY A 689 5.953 -13.848 7.064 1.00 0.43 N ATOM 1116 CA GLY A 689 6.183 -12.891 8.129 1.00 0.48 C ATOM 1117 C GLY A 689 5.705 -11.497 7.769 1.00 0.39 C ATOM 1118 O GLY A 689 4.886 -10.909 8.480 1.00 0.44 O ATOM 0 H GLY A 689 6.800 -14.239 6.651 1.00 0.43 H new ATOM 0 HA2 GLY A 689 5.671 -13.226 9.031 1.00 0.48 H new ATOM 0 HA3 GLY A 689 7.248 -12.858 8.360 1.00 0.48 H new ATOM 1122 N LYS A 690 6.197 -10.970 6.652 1.00 0.37 N ATOM 1123 CA LYS A 690 5.815 -9.634 6.218 1.00 0.34 C ATOM 1124 C LYS A 690 4.421 -9.659 5.595 1.00 0.23 C ATOM 1125 O LYS A 690 3.753 -8.629 5.515 1.00 0.24 O ATOM 1126 CB LYS A 690 6.846 -9.053 5.237 1.00 0.48 C ATOM 1127 CG LYS A 690 6.627 -7.576 4.927 1.00 0.73 C ATOM 1128 CD LYS A 690 6.641 -6.734 6.194 1.00 0.83 C ATOM 1129 CE LYS A 690 6.154 -5.313 5.937 1.00 0.84 C ATOM 1130 NZ LYS A 690 7.120 -4.516 5.134 1.00 0.95 N ATOM 0 H LYS A 690 6.856 -11.445 6.036 1.00 0.37 H new ATOM 0 HA LYS A 690 5.791 -8.984 7.093 1.00 0.34 H new ATOM 0 HB2 LYS A 690 7.845 -9.184 5.653 1.00 0.48 H new ATOM 0 HB3 LYS A 690 6.810 -9.620 4.307 1.00 0.48 H new ATOM 0 HG2 LYS A 690 7.404 -7.226 4.248 1.00 0.73 H new ATOM 0 HG3 LYS A 690 5.674 -7.448 4.414 1.00 0.73 H new ATOM 0 HD2 LYS A 690 6.010 -7.203 6.949 1.00 0.83 H new ATOM 0 HD3 LYS A 690 7.653 -6.704 6.599 1.00 0.83 H new ATOM 0 HE2 LYS A 690 5.197 -5.349 5.417 1.00 0.84 H new ATOM 0 HE3 LYS A 690 5.980 -4.814 6.890 1.00 0.84 H new ATOM 0 HZ1 LYS A 690 7.385 -3.659 5.660 1.00 0.95 H new ATOM 0 HZ2 LYS A 690 7.971 -5.085 4.949 1.00 0.95 H new ATOM 0 HZ3 LYS A 690 6.681 -4.246 4.231 1.00 0.95 H new ATOM 1144 N ARG A 691 3.987 -10.844 5.167 1.00 0.24 N ATOM 1145 CA ARG A 691 2.634 -11.036 4.651 1.00 0.26 C ATOM 1146 C ARG A 691 1.607 -10.602 5.683 1.00 0.28 C ATOM 1147 O ARG A 691 0.670 -9.867 5.375 1.00 0.34 O ATOM 1148 CB ARG A 691 2.402 -12.507 4.287 1.00 0.40 C ATOM 1149 CG ARG A 691 0.960 -12.821 3.915 1.00 0.53 C ATOM 1150 CD ARG A 691 0.737 -14.307 3.666 1.00 0.76 C ATOM 1151 NE ARG A 691 1.407 -14.789 2.457 1.00 1.38 N ATOM 1152 CZ ARG A 691 0.763 -15.172 1.352 1.00 1.90 C ATOM 1153 NH1 ARG A 691 -0.563 -15.072 1.275 1.00 2.02 N ATOM 1154 NH2 ARG A 691 1.446 -15.641 0.315 1.00 2.83 N ATOM 0 H ARG A 691 4.557 -11.690 5.168 1.00 0.24 H new ATOM 0 HA ARG A 691 2.523 -10.425 3.755 1.00 0.26 H new ATOM 0 HB2 ARG A 691 3.050 -12.773 3.452 1.00 0.40 H new ATOM 0 HB3 ARG A 691 2.696 -13.132 5.130 1.00 0.40 H new ATOM 0 HG2 ARG A 691 0.300 -12.486 4.715 1.00 0.53 H new ATOM 0 HG3 ARG A 691 0.688 -12.260 3.021 1.00 0.53 H new ATOM 0 HD2 ARG A 691 1.098 -14.872 4.525 1.00 0.76 H new ATOM 0 HD3 ARG A 691 -0.333 -14.500 3.584 1.00 0.76 H new ATOM 0 HE ARG A 691 2.426 -14.835 2.459 1.00 1.38 H new ATOM 0 HH11 ARG A 691 -1.093 -14.701 2.063 1.00 2.02 H new ATOM 0 HH12 ARG A 691 -1.048 -15.367 0.428 1.00 2.02 H new ATOM 0 HH21 ARG A 691 2.463 -15.709 0.362 1.00 2.83 H new ATOM 0 HH22 ARG A 691 0.954 -15.934 -0.529 1.00 2.83 H new ATOM 1168 N HIS A 692 1.805 -11.057 6.912 1.00 0.31 N ATOM 1169 CA HIS A 692 0.925 -10.706 8.012 1.00 0.41 C ATOM 1170 C HIS A 692 0.911 -9.193 8.211 1.00 0.40 C ATOM 1171 O HIS A 692 -0.133 -8.604 8.468 1.00 0.48 O ATOM 1172 CB HIS A 692 1.381 -11.415 9.293 1.00 0.54 C ATOM 1173 CG HIS A 692 0.484 -11.187 10.473 1.00 0.90 C ATOM 1174 ND1 HIS A 692 0.882 -10.500 11.597 1.00 1.60 N ATOM 1175 CD2 HIS A 692 -0.794 -11.568 10.704 1.00 1.58 C ATOM 1176 CE1 HIS A 692 -0.107 -10.473 12.468 1.00 1.90 C ATOM 1177 NE2 HIS A 692 -1.136 -11.112 11.952 1.00 1.83 N ATOM 0 H HIS A 692 2.574 -11.675 7.171 1.00 0.31 H new ATOM 0 HA HIS A 692 -0.088 -11.031 7.776 1.00 0.41 H new ATOM 0 HB2 HIS A 692 1.444 -12.486 9.100 1.00 0.54 H new ATOM 0 HB3 HIS A 692 2.386 -11.077 9.544 1.00 0.54 H new ATOM 0 HD2 HIS A 692 -1.427 -12.127 10.031 1.00 1.58 H new ATOM 0 HE1 HIS A 692 -0.078 -10.005 13.441 1.00 1.90 H new ATOM 0 HE2 HIS A 692 -2.040 -11.246 12.406 1.00 1.83 H new ATOM 1186 N LYS A 693 2.074 -8.572 8.058 1.00 0.34 N ATOM 1187 CA LYS A 693 2.209 -7.131 8.248 1.00 0.38 C ATOM 1188 C LYS A 693 1.484 -6.350 7.151 1.00 0.30 C ATOM 1189 O LYS A 693 0.723 -5.428 7.438 1.00 0.35 O ATOM 1190 CB LYS A 693 3.687 -6.733 8.277 1.00 0.45 C ATOM 1191 CG LYS A 693 4.465 -7.313 9.450 1.00 1.15 C ATOM 1192 CD LYS A 693 3.937 -6.804 10.783 1.00 1.51 C ATOM 1193 CE LYS A 693 4.788 -7.295 11.946 1.00 1.69 C ATOM 1194 NZ LYS A 693 4.276 -6.802 13.252 1.00 1.99 N ATOM 0 H LYS A 693 2.941 -9.045 7.802 1.00 0.34 H new ATOM 0 HA LYS A 693 1.749 -6.881 9.204 1.00 0.38 H new ATOM 0 HB2 LYS A 693 4.157 -7.056 7.348 1.00 0.45 H new ATOM 0 HB3 LYS A 693 3.759 -5.646 8.310 1.00 0.45 H new ATOM 0 HG2 LYS A 693 4.403 -8.401 9.426 1.00 1.15 H new ATOM 0 HG3 LYS A 693 5.519 -7.052 9.352 1.00 1.15 H new ATOM 0 HD2 LYS A 693 3.922 -5.714 10.777 1.00 1.51 H new ATOM 0 HD3 LYS A 693 2.908 -7.136 10.918 1.00 1.51 H new ATOM 0 HE2 LYS A 693 4.804 -8.385 11.950 1.00 1.69 H new ATOM 0 HE3 LYS A 693 5.817 -6.962 11.810 1.00 1.69 H new ATOM 0 HZ1 LYS A 693 4.882 -7.158 14.019 1.00 1.99 H new ATOM 0 HZ2 LYS A 693 4.284 -5.762 13.258 1.00 1.99 H new ATOM 0 HZ3 LYS A 693 3.303 -7.141 13.394 1.00 1.99 H new ATOM 1208 N VAL A 694 1.723 -6.721 5.895 1.00 0.22 N ATOM 1209 CA VAL A 694 1.142 -5.991 4.771 1.00 0.20 C ATOM 1210 C VAL A 694 -0.370 -6.215 4.688 1.00 0.22 C ATOM 1211 O VAL A 694 -1.116 -5.298 4.345 1.00 0.25 O ATOM 1212 CB VAL A 694 1.805 -6.353 3.419 1.00 0.19 C ATOM 1213 CG1 VAL A 694 3.301 -6.103 3.477 1.00 0.24 C ATOM 1214 CG2 VAL A 694 1.518 -7.793 3.017 1.00 0.19 C ATOM 0 H VAL A 694 2.308 -7.514 5.632 1.00 0.22 H new ATOM 0 HA VAL A 694 1.336 -4.935 4.960 1.00 0.20 H new ATOM 0 HB VAL A 694 1.370 -5.708 2.656 1.00 0.19 H new ATOM 0 HG11 VAL A 694 3.751 -6.363 2.519 1.00 0.24 H new ATOM 0 HG12 VAL A 694 3.486 -5.050 3.691 1.00 0.24 H new ATOM 0 HG13 VAL A 694 3.742 -6.716 4.263 1.00 0.24 H new ATOM 0 HG21 VAL A 694 2.000 -8.008 2.063 1.00 0.19 H new ATOM 0 HG22 VAL A 694 1.906 -8.468 3.780 1.00 0.19 H new ATOM 0 HG23 VAL A 694 0.442 -7.936 2.919 1.00 0.19 H new ATOM 1224 N LYS A 695 -0.820 -7.426 5.032 1.00 0.22 N ATOM 1225 CA LYS A 695 -2.240 -7.762 4.961 1.00 0.27 C ATOM 1226 C LYS A 695 -3.029 -6.975 6.007 1.00 0.31 C ATOM 1227 O LYS A 695 -4.091 -6.433 5.708 1.00 0.36 O ATOM 1228 CB LYS A 695 -2.468 -9.261 5.188 1.00 0.30 C ATOM 1229 CG LYS A 695 -3.812 -9.754 4.663 1.00 0.98 C ATOM 1230 CD LYS A 695 -4.573 -10.581 5.694 1.00 1.59 C ATOM 1231 CE LYS A 695 -5.157 -9.707 6.797 1.00 2.05 C ATOM 1232 NZ LYS A 695 -5.984 -10.486 7.757 1.00 2.49 N ATOM 0 H LYS A 695 -0.222 -8.185 5.360 1.00 0.22 H new ATOM 0 HA LYS A 695 -2.588 -7.498 3.962 1.00 0.27 H new ATOM 0 HB2 LYS A 695 -1.669 -9.820 4.702 1.00 0.30 H new ATOM 0 HB3 LYS A 695 -2.403 -9.474 6.255 1.00 0.30 H new ATOM 0 HG2 LYS A 695 -4.419 -8.898 4.368 1.00 0.98 H new ATOM 0 HG3 LYS A 695 -3.651 -10.354 3.768 1.00 0.98 H new ATOM 0 HD2 LYS A 695 -5.376 -11.129 5.200 1.00 1.59 H new ATOM 0 HD3 LYS A 695 -3.904 -11.322 6.132 1.00 1.59 H new ATOM 0 HE2 LYS A 695 -4.347 -9.215 7.335 1.00 2.05 H new ATOM 0 HE3 LYS A 695 -5.766 -8.921 6.350 1.00 2.05 H new ATOM 0 HZ1 LYS A 695 -6.967 -10.150 7.721 1.00 2.49 H new ATOM 0 HZ2 LYS A 695 -5.953 -11.494 7.503 1.00 2.49 H new ATOM 0 HZ3 LYS A 695 -5.610 -10.360 8.719 1.00 2.49 H new ATOM 1246 N GLU A 696 -2.508 -6.919 7.238 1.00 0.34 N ATOM 1247 CA GLU A 696 -3.186 -6.215 8.329 1.00 0.43 C ATOM 1248 C GLU A 696 -3.366 -4.741 7.995 1.00 0.36 C ATOM 1249 O GLU A 696 -4.443 -4.174 8.181 1.00 0.39 O ATOM 1250 CB GLU A 696 -2.408 -6.344 9.644 1.00 0.55 C ATOM 1251 CG GLU A 696 -2.377 -7.752 10.213 1.00 1.22 C ATOM 1252 CD GLU A 696 -3.758 -8.325 10.436 1.00 1.97 C ATOM 1253 OE1 GLU A 696 -4.540 -7.726 11.206 1.00 2.45 O ATOM 1254 OE2 GLU A 696 -4.069 -9.376 9.843 1.00 2.62 O ATOM 0 H GLU A 696 -1.623 -7.351 7.502 1.00 0.34 H new ATOM 0 HA GLU A 696 -4.165 -6.679 8.452 1.00 0.43 H new ATOM 0 HB2 GLU A 696 -1.384 -6.007 9.482 1.00 0.55 H new ATOM 0 HB3 GLU A 696 -2.851 -5.675 10.382 1.00 0.55 H new ATOM 0 HG2 GLU A 696 -1.825 -8.401 9.534 1.00 1.22 H new ATOM 0 HG3 GLU A 696 -1.835 -7.745 11.158 1.00 1.22 H new ATOM 1261 N PHE A 697 -2.306 -4.128 7.488 1.00 0.31 N ATOM 1262 CA PHE A 697 -2.344 -2.728 7.122 1.00 0.31 C ATOM 1263 C PHE A 697 -3.319 -2.508 5.979 1.00 0.27 C ATOM 1264 O PHE A 697 -4.192 -1.639 6.052 1.00 0.30 O ATOM 1265 CB PHE A 697 -0.948 -2.233 6.727 1.00 0.37 C ATOM 1266 CG PHE A 697 -0.979 -0.978 5.904 1.00 0.36 C ATOM 1267 CD1 PHE A 697 -1.278 0.245 6.483 1.00 0.52 C ATOM 1268 CD2 PHE A 697 -0.732 -1.029 4.542 1.00 0.30 C ATOM 1269 CE1 PHE A 697 -1.329 1.393 5.715 1.00 0.59 C ATOM 1270 CE2 PHE A 697 -0.778 0.112 3.773 1.00 0.34 C ATOM 1271 CZ PHE A 697 -1.078 1.324 4.358 1.00 0.49 C ATOM 0 H PHE A 697 -1.409 -4.584 7.322 1.00 0.31 H new ATOM 0 HA PHE A 697 -2.681 -2.158 7.988 1.00 0.31 H new ATOM 0 HB2 PHE A 697 -0.364 -2.054 7.630 1.00 0.37 H new ATOM 0 HB3 PHE A 697 -0.437 -3.016 6.166 1.00 0.37 H new ATOM 0 HD1 PHE A 697 -1.473 0.302 7.544 1.00 0.52 H new ATOM 0 HD2 PHE A 697 -0.500 -1.976 4.077 1.00 0.30 H new ATOM 0 HE1 PHE A 697 -1.564 2.342 6.174 1.00 0.59 H new ATOM 0 HE2 PHE A 697 -0.579 0.058 2.713 1.00 0.34 H new ATOM 0 HZ PHE A 697 -1.117 2.219 3.755 1.00 0.49 H new ATOM 1281 N ILE A 698 -3.184 -3.313 4.934 1.00 0.24 N ATOM 1282 CA ILE A 698 -3.977 -3.115 3.741 1.00 0.24 C ATOM 1283 C ILE A 698 -5.447 -3.404 3.999 1.00 0.25 C ATOM 1284 O ILE A 698 -6.292 -2.711 3.480 1.00 0.29 O ATOM 1285 CB ILE A 698 -3.466 -3.941 2.544 1.00 0.26 C ATOM 1286 CG1 ILE A 698 -4.045 -3.374 1.248 1.00 0.38 C ATOM 1287 CG2 ILE A 698 -3.815 -5.417 2.686 1.00 0.31 C ATOM 1288 CD1 ILE A 698 -3.281 -3.809 0.032 1.00 1.25 C ATOM 0 H ILE A 698 -2.537 -4.101 4.893 1.00 0.24 H new ATOM 0 HA ILE A 698 -3.871 -2.063 3.475 1.00 0.24 H new ATOM 0 HB ILE A 698 -2.379 -3.869 2.519 1.00 0.26 H new ATOM 0 HG12 ILE A 698 -5.084 -3.689 1.151 1.00 0.38 H new ATOM 0 HG13 ILE A 698 -4.046 -2.285 1.301 1.00 0.38 H new ATOM 0 HG21 ILE A 698 -3.438 -5.965 1.823 1.00 0.31 H new ATOM 0 HG22 ILE A 698 -3.360 -5.813 3.594 1.00 0.31 H new ATOM 0 HG23 ILE A 698 -4.898 -5.531 2.743 1.00 0.31 H new ATOM 0 HD11 ILE A 698 -3.737 -3.376 -0.858 1.00 1.25 H new ATOM 0 HD12 ILE A 698 -2.248 -3.471 0.111 1.00 1.25 H new ATOM 0 HD13 ILE A 698 -3.302 -4.896 -0.041 1.00 1.25 H new ATOM 1300 N ASN A 699 -5.745 -4.402 4.822 1.00 0.26 N ATOM 1301 CA ASN A 699 -7.133 -4.776 5.097 1.00 0.31 C ATOM 1302 C ASN A 699 -7.921 -3.605 5.687 1.00 0.33 C ATOM 1303 O ASN A 699 -8.990 -3.249 5.186 1.00 0.37 O ATOM 1304 CB ASN A 699 -7.173 -5.971 6.054 1.00 0.35 C ATOM 1305 CG ASN A 699 -8.573 -6.287 6.534 1.00 0.42 C ATOM 1306 OD1 ASN A 699 -9.296 -7.069 5.914 1.00 0.49 O ATOM 1307 ND2 ASN A 699 -8.960 -5.687 7.646 1.00 0.47 N ATOM 0 H ASN A 699 -5.050 -4.967 5.310 1.00 0.26 H new ATOM 0 HA ASN A 699 -7.601 -5.052 4.152 1.00 0.31 H new ATOM 0 HB2 ASN A 699 -6.758 -6.846 5.554 1.00 0.35 H new ATOM 0 HB3 ASN A 699 -6.536 -5.764 6.914 1.00 0.35 H new ATOM 0 HD21 ASN A 699 -9.891 -5.864 8.024 1.00 0.47 H new ATOM 0 HD22 ASN A 699 -8.328 -5.047 8.127 1.00 0.47 H new ATOM 1314 N SER A 700 -7.383 -3.003 6.736 1.00 0.34 N ATOM 1315 CA SER A 700 -7.998 -1.832 7.346 1.00 0.39 C ATOM 1316 C SER A 700 -8.046 -0.666 6.356 1.00 0.38 C ATOM 1317 O SER A 700 -9.036 0.067 6.293 1.00 0.45 O ATOM 1318 CB SER A 700 -7.214 -1.432 8.593 1.00 0.44 C ATOM 1319 OG SER A 700 -7.862 -0.395 9.309 1.00 1.42 O ATOM 0 H SER A 700 -6.519 -3.306 7.185 1.00 0.34 H new ATOM 0 HA SER A 700 -9.021 -2.081 7.627 1.00 0.39 H new ATOM 0 HB2 SER A 700 -7.092 -2.300 9.241 1.00 0.44 H new ATOM 0 HB3 SER A 700 -6.214 -1.106 8.305 1.00 0.44 H new ATOM 0 HG SER A 700 -7.334 -0.165 10.102 1.00 1.42 H new ATOM 1325 N TYR A 701 -6.976 -0.506 5.581 1.00 0.33 N ATOM 1326 CA TYR A 701 -6.905 0.545 4.565 1.00 0.36 C ATOM 1327 C TYR A 701 -8.013 0.361 3.515 1.00 0.35 C ATOM 1328 O TYR A 701 -8.692 1.316 3.141 1.00 0.42 O ATOM 1329 CB TYR A 701 -5.504 0.535 3.930 1.00 0.38 C ATOM 1330 CG TYR A 701 -5.304 1.486 2.765 1.00 0.45 C ATOM 1331 CD1 TYR A 701 -5.964 2.708 2.738 1.00 1.37 C ATOM 1332 CD2 TYR A 701 -4.460 1.175 1.705 1.00 0.95 C ATOM 1333 CE1 TYR A 701 -5.787 3.594 1.696 1.00 1.43 C ATOM 1334 CE2 TYR A 701 -4.282 2.057 0.654 1.00 0.98 C ATOM 1335 CZ TYR A 701 -4.930 3.199 0.604 1.00 0.65 C ATOM 1336 OH TYR A 701 -4.763 4.152 -0.380 1.00 0.75 O ATOM 0 H TYR A 701 -6.143 -1.092 5.636 1.00 0.33 H new ATOM 0 HA TYR A 701 -7.068 1.518 5.028 1.00 0.36 H new ATOM 0 HB2 TYR A 701 -4.773 0.776 4.702 1.00 0.38 H new ATOM 0 HB3 TYR A 701 -5.286 -0.478 3.590 1.00 0.38 H new ATOM 0 HD1 TYR A 701 -6.628 2.969 3.548 1.00 1.37 H new ATOM 0 HD2 TYR A 701 -3.936 0.231 1.702 1.00 0.95 H new ATOM 0 HE1 TYR A 701 -6.276 4.557 1.697 1.00 1.43 H new ATOM 0 HE2 TYR A 701 -3.597 1.802 -0.141 1.00 0.98 H new ATOM 0 HH TYR A 701 -4.100 4.812 -0.087 1.00 0.75 H new ATOM 1346 N MET A 702 -8.199 -0.879 3.080 1.00 0.31 N ATOM 1347 CA MET A 702 -9.242 -1.244 2.122 1.00 0.36 C ATOM 1348 C MET A 702 -10.614 -0.892 2.673 1.00 0.42 C ATOM 1349 O MET A 702 -11.424 -0.239 2.013 1.00 0.48 O ATOM 1350 CB MET A 702 -9.209 -2.756 1.873 1.00 0.44 C ATOM 1351 CG MET A 702 -7.930 -3.267 1.238 1.00 0.56 C ATOM 1352 SD MET A 702 -7.705 -5.035 1.488 1.00 0.87 S ATOM 1353 CE MET A 702 -6.463 -5.394 0.255 1.00 1.08 C ATOM 0 H MET A 702 -7.627 -1.668 3.383 1.00 0.31 H new ATOM 0 HA MET A 702 -9.060 -0.697 1.197 1.00 0.36 H new ATOM 0 HB2 MET A 702 -9.357 -3.270 2.823 1.00 0.44 H new ATOM 0 HB3 MET A 702 -10.049 -3.023 1.231 1.00 0.44 H new ATOM 0 HG2 MET A 702 -7.946 -3.052 0.169 1.00 0.56 H new ATOM 0 HG3 MET A 702 -7.079 -2.731 1.658 1.00 0.56 H new ATOM 0 HE1 MET A 702 -6.887 -6.044 -0.510 1.00 1.08 H new ATOM 0 HE2 MET A 702 -6.127 -4.464 -0.204 1.00 1.08 H new ATOM 0 HE3 MET A 702 -5.616 -5.893 0.726 1.00 1.08 H new ATOM 1363 N ASP A 703 -10.847 -1.327 3.906 1.00 0.46 N ATOM 1364 CA ASP A 703 -12.131 -1.147 4.570 1.00 0.59 C ATOM 1365 C ASP A 703 -12.441 0.331 4.734 1.00 0.64 C ATOM 1366 O ASP A 703 -13.591 0.758 4.613 1.00 0.77 O ATOM 1367 CB ASP A 703 -12.113 -1.819 5.946 1.00 0.66 C ATOM 1368 CG ASP A 703 -13.507 -2.049 6.499 1.00 0.93 C ATOM 1369 OD1 ASP A 703 -14.306 -2.747 5.839 1.00 1.11 O ATOM 1370 OD2 ASP A 703 -13.813 -1.542 7.600 1.00 1.06 O ATOM 0 H ASP A 703 -10.152 -1.814 4.472 1.00 0.46 H new ATOM 0 HA ASP A 703 -12.903 -1.607 3.953 1.00 0.59 H new ATOM 0 HB2 ASP A 703 -11.592 -2.774 5.874 1.00 0.66 H new ATOM 0 HB3 ASP A 703 -11.547 -1.199 6.642 1.00 0.66 H new ATOM 1375 N LYS A 704 -11.392 1.106 4.988 1.00 0.58 N ATOM 1376 CA LYS A 704 -11.518 2.534 5.243 1.00 0.66 C ATOM 1377 C LYS A 704 -12.075 3.279 4.031 1.00 0.66 C ATOM 1378 O LYS A 704 -12.814 4.251 4.182 1.00 0.76 O ATOM 1379 CB LYS A 704 -10.157 3.112 5.649 1.00 0.69 C ATOM 1380 CG LYS A 704 -10.204 4.574 6.064 1.00 1.15 C ATOM 1381 CD LYS A 704 -8.861 5.035 6.604 1.00 1.49 C ATOM 1382 CE LYS A 704 -8.905 6.492 7.024 1.00 2.15 C ATOM 1383 NZ LYS A 704 -7.641 6.923 7.675 1.00 2.95 N ATOM 0 H LYS A 704 -10.433 0.761 5.023 1.00 0.58 H new ATOM 0 HA LYS A 704 -12.226 2.669 6.061 1.00 0.66 H new ATOM 0 HB2 LYS A 704 -9.756 2.524 6.474 1.00 0.69 H new ATOM 0 HB3 LYS A 704 -9.465 3.004 4.814 1.00 0.69 H new ATOM 0 HG2 LYS A 704 -10.486 5.189 5.209 1.00 1.15 H new ATOM 0 HG3 LYS A 704 -10.972 4.714 6.824 1.00 1.15 H new ATOM 0 HD2 LYS A 704 -8.578 4.417 7.456 1.00 1.49 H new ATOM 0 HD3 LYS A 704 -8.094 4.897 5.842 1.00 1.49 H new ATOM 0 HE2 LYS A 704 -9.093 7.115 6.150 1.00 2.15 H new ATOM 0 HE3 LYS A 704 -9.737 6.646 7.711 1.00 2.15 H new ATOM 0 HZ1 LYS A 704 -7.714 7.924 7.946 1.00 2.95 H new ATOM 0 HZ2 LYS A 704 -7.473 6.346 8.524 1.00 2.95 H new ATOM 0 HZ3 LYS A 704 -6.850 6.801 7.011 1.00 2.95 H new ATOM 1397 N ILE A 705 -11.749 2.815 2.830 1.00 0.58 N ATOM 1398 CA ILE A 705 -12.209 3.483 1.628 1.00 0.64 C ATOM 1399 C ILE A 705 -13.661 3.114 1.369 1.00 0.70 C ATOM 1400 O ILE A 705 -14.464 3.938 0.933 1.00 0.83 O ATOM 1401 CB ILE A 705 -11.363 3.098 0.400 1.00 0.60 C ATOM 1402 CG1 ILE A 705 -9.874 3.062 0.761 1.00 0.60 C ATOM 1403 CG2 ILE A 705 -11.613 4.088 -0.732 1.00 0.68 C ATOM 1404 CD1 ILE A 705 -9.283 4.422 1.078 1.00 0.66 C ATOM 0 H ILE A 705 -11.174 1.988 2.668 1.00 0.58 H new ATOM 0 HA ILE A 705 -12.109 4.557 1.784 1.00 0.64 H new ATOM 0 HB ILE A 705 -11.657 2.102 0.070 1.00 0.60 H new ATOM 0 HG12 ILE A 705 -9.735 2.407 1.621 1.00 0.60 H new ATOM 0 HG13 ILE A 705 -9.320 2.621 -0.068 1.00 0.60 H new ATOM 0 HG21 ILE A 705 -11.012 3.810 -1.598 1.00 0.68 H new ATOM 0 HG22 ILE A 705 -12.669 4.072 -1.003 1.00 0.68 H new ATOM 0 HG23 ILE A 705 -11.338 5.091 -0.406 1.00 0.68 H new ATOM 0 HD11 ILE A 705 -8.227 4.311 1.323 1.00 0.66 H new ATOM 0 HD12 ILE A 705 -9.388 5.075 0.212 1.00 0.66 H new ATOM 0 HD13 ILE A 705 -9.809 4.858 1.927 1.00 0.66 H new ATOM 1416 N ILE A 706 -13.992 1.868 1.680 1.00 0.67 N ATOM 1417 CA ILE A 706 -15.327 1.347 1.452 1.00 0.79 C ATOM 1418 C ILE A 706 -16.316 1.963 2.435 1.00 0.99 C ATOM 1419 O ILE A 706 -17.435 2.311 2.064 1.00 1.17 O ATOM 1420 CB ILE A 706 -15.354 -0.191 1.574 1.00 0.83 C ATOM 1421 CG1 ILE A 706 -14.299 -0.809 0.650 1.00 1.18 C ATOM 1422 CG2 ILE A 706 -16.738 -0.728 1.233 1.00 1.43 C ATOM 1423 CD1 ILE A 706 -14.185 -2.312 0.774 1.00 1.75 C ATOM 0 H ILE A 706 -13.346 1.196 2.094 1.00 0.67 H new ATOM 0 HA ILE A 706 -15.619 1.616 0.437 1.00 0.79 H new ATOM 0 HB ILE A 706 -15.124 -0.465 2.604 1.00 0.83 H new ATOM 0 HG12 ILE A 706 -14.541 -0.556 -0.382 1.00 1.18 H new ATOM 0 HG13 ILE A 706 -13.330 -0.361 0.869 1.00 1.18 H new ATOM 0 HG21 ILE A 706 -16.739 -1.814 1.324 1.00 1.43 H new ATOM 0 HG22 ILE A 706 -17.472 -0.305 1.920 1.00 1.43 H new ATOM 0 HG23 ILE A 706 -16.995 -0.449 0.211 1.00 1.43 H new ATOM 0 HD11 ILE A 706 -13.419 -2.676 0.090 1.00 1.75 H new ATOM 0 HD12 ILE A 706 -13.912 -2.573 1.797 1.00 1.75 H new ATOM 0 HD13 ILE A 706 -15.142 -2.771 0.525 1.00 1.75 H new