USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 743 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 665 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 666 MET CE :methyl -144:sc= 0 (180deg=-0.0391) USER MOD Set 2.1: A 643 THR OG1 : rot 2:sc= 0.681 USER MOD Set 2.2: A 648 THR OG1 : rot -72:sc= 0.278 USER MOD Set 2.3: A 650 CYS SG : rot 59:sc= -0.454 USER MOD Set 2.4: A 710 ASN : amide:sc= -0.161 K(o=1.8,f=0.87) USER MOD Set 2.5: A 714 GLN :FLIP amide:sc= 1.5 F(o=0.16,f=1.8) USER MOD Set 3.1: A 625 HIS : no HE2:sc= 0.447 K(o=1.3,f=-5.5!) USER MOD Set 3.2: A 627 SER OG : rot -38:sc= 0.808 USER MOD Single : A 624 SER OG : rot 180:sc= 0 USER MOD Single : A 626 MET CE :methyl -173:sc= -0.311 (180deg=-0.509) USER MOD Single : A 631 CYS SG : rot -101:sc= 0.799 USER MOD Single : A 632 GLN : amide:sc= -0.1 K(o=-0.1,f=-0.75) USER MOD Single : A 639 HIS : no HE2:sc= 0.996 K(o=1,f=-4.7!) USER MOD Single : A 641 TYR OH : rot 180:sc= 0 USER MOD Single : A 642 ASN : amide:sc= -0.02 X(o=-0.02,f=0) USER MOD Single : A 647 MET CE :methyl 162:sc= -0.119 (180deg=-0.553) USER MOD Single : A 656 TYR OH : rot 180:sc= 0 USER MOD Single : A 659 MET CE :methyl 161:sc= -0.101 (180deg=-0.561) USER MOD Single : A 660 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 667 MET CE :methyl 132:sc= -0.16 (180deg=-0.716) USER MOD Single : A 674 MET CE :methyl -176:sc= -0.128 (180deg=-0.185) USER MOD Single : A 677 THR OG1 : rot 180:sc= 0 USER MOD Single : A 680 TYR OH : rot 180:sc= 0 USER MOD Single : A 684 LYS NZ :NH3+ -156:sc= 1.24 (180deg=0.823) USER MOD Single : A 687 GLN : amide:sc= -0.056 X(o=-0.056,f=-0.56) USER MOD Single : A 689 SER OG : rot 66:sc= 0.925 USER MOD Single : A 693 TYR OH : rot 180:sc= 0 USER MOD Single : A 694 THR OG1 : rot -81:sc= 1.05 USER MOD Single : A 695 GLN : amide:sc= 0.0746 X(o=0.075,f=0) USER MOD Single : A 701 MET CE :methyl 141:sc= -0.242 (180deg=-2.63!) USER MOD Single : A 704 MET CE :methyl 153:sc= -0.177 (180deg=-1.11) USER MOD Single : A 705 LYS NZ :NH3+ -178:sc= 1.24 (180deg=1.18) USER MOD Single : A 711 GLN :FLIP amide:sc= -0.0131 F(o=-1.1,f=-0.013) USER MOD Single : A 712 TYR OH : rot 180:sc= 0 USER MOD Single : A 713 TYR OH : rot 180:sc= 0 USER MOD Single : A 715 LYS NZ :NH3+ 161:sc= 1.11 (180deg=0.854) USER MOD Single : A 722 GLN : amide:sc= -0.504 X(o=-0.5,f=-0.14) USER MOD Single : A 723 MET CE :methyl -125:sc= -0.687 (180deg=-1.41) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 623 -18.090 -8.544 19.184 1.00 15.53 N ATOM 2 CA GLY A 623 -17.524 -7.175 19.232 1.00 15.09 C ATOM 3 C GLY A 623 -17.862 -6.380 17.994 1.00 14.39 C ATOM 4 O GLY A 623 -18.329 -6.937 16.999 1.00 14.22 O ATOM 0 HA2 GLY A 623 -17.905 -6.656 20.112 1.00 15.09 H new ATOM 0 HA3 GLY A 623 -16.441 -7.234 19.341 1.00 15.09 H new ATOM 10 N SER A 624 -17.628 -5.081 18.052 1.00 14.14 N ATOM 11 CA SER A 624 -17.916 -4.203 16.935 1.00 13.65 C ATOM 12 C SER A 624 -16.858 -4.357 15.845 1.00 12.93 C ATOM 13 O SER A 624 -15.658 -4.216 16.101 1.00 12.90 O ATOM 14 CB SER A 624 -17.971 -2.752 17.417 1.00 13.94 C ATOM 15 OG SER A 624 -18.838 -2.618 18.535 1.00 14.35 O ATOM 0 H SER A 624 -17.237 -4.610 18.867 1.00 14.14 H new ATOM 0 HA SER A 624 -18.884 -4.477 16.515 1.00 13.65 H new ATOM 0 HB2 SER A 624 -16.970 -2.417 17.687 1.00 13.94 H new ATOM 0 HB3 SER A 624 -18.315 -2.109 16.607 1.00 13.94 H new ATOM 0 HG SER A 624 -18.855 -1.682 18.826 1.00 14.35 H new ATOM 21 N HIS A 625 -17.301 -4.667 14.637 1.00 12.51 N ATOM 22 CA HIS A 625 -16.396 -4.799 13.506 1.00 11.96 C ATOM 23 C HIS A 625 -16.568 -3.615 12.558 1.00 11.32 C ATOM 24 O HIS A 625 -17.557 -3.514 11.834 1.00 11.18 O ATOM 25 CB HIS A 625 -16.603 -6.138 12.763 1.00 11.96 C ATOM 26 CG HIS A 625 -17.963 -6.324 12.150 1.00 12.45 C ATOM 27 ND1 HIS A 625 -18.219 -6.126 10.808 1.00 12.80 N ATOM 28 CD2 HIS A 625 -19.140 -6.698 12.702 1.00 12.83 C ATOM 29 CE1 HIS A 625 -19.492 -6.369 10.567 1.00 13.34 C ATOM 30 NE2 HIS A 625 -20.075 -6.719 11.698 1.00 13.37 N ATOM 0 H HIS A 625 -18.283 -4.832 14.414 1.00 12.51 H new ATOM 0 HA HIS A 625 -15.375 -4.799 13.887 1.00 11.96 H new ATOM 0 HB2 HIS A 625 -15.853 -6.219 11.976 1.00 11.96 H new ATOM 0 HB3 HIS A 625 -16.422 -6.955 13.461 1.00 11.96 H new ATOM 0 HD1 HIS A 625 -17.531 -5.837 10.112 1.00 12.80 H new ATOM 0 HD2 HIS A 625 -19.312 -6.936 13.741 1.00 12.83 H new ATOM 0 HE1 HIS A 625 -19.977 -6.294 9.605 1.00 13.34 H new ATOM 39 N MET A 626 -15.613 -2.704 12.588 1.00 11.11 N ATOM 40 CA MET A 626 -15.658 -1.540 11.720 1.00 10.60 C ATOM 41 C MET A 626 -15.123 -1.886 10.343 1.00 9.72 C ATOM 42 O MET A 626 -14.022 -1.478 9.974 1.00 9.78 O ATOM 43 CB MET A 626 -14.859 -0.384 12.318 1.00 11.28 C ATOM 44 CG MET A 626 -15.452 0.163 13.604 1.00 11.91 C ATOM 45 SD MET A 626 -17.135 0.782 13.391 1.00 12.79 S ATOM 46 CE MET A 626 -16.879 2.084 12.184 1.00 13.30 C ATOM 0 H MET A 626 -14.799 -2.746 13.201 1.00 11.11 H new ATOM 0 HA MET A 626 -16.698 -1.228 11.627 1.00 10.60 H new ATOM 0 HB2 MET A 626 -13.840 -0.719 12.511 1.00 11.28 H new ATOM 0 HB3 MET A 626 -14.796 0.421 11.585 1.00 11.28 H new ATOM 0 HG2 MET A 626 -15.451 -0.621 14.361 1.00 11.91 H new ATOM 0 HG3 MET A 626 -14.818 0.968 13.977 1.00 11.91 H new ATOM 0 HE1 MET A 626 -17.807 2.640 12.046 1.00 13.30 H new ATOM 0 HE2 MET A 626 -16.100 2.760 12.538 1.00 13.30 H new ATOM 0 HE3 MET A 626 -16.574 1.645 11.234 1.00 13.30 H new ATOM 56 N SER A 627 -15.896 -2.660 9.599 1.00 9.08 N ATOM 57 CA SER A 627 -15.526 -3.024 8.242 1.00 8.35 C ATOM 58 C SER A 627 -15.448 -1.768 7.376 1.00 7.32 C ATOM 59 O SER A 627 -16.329 -0.906 7.443 1.00 7.21 O ATOM 60 CB SER A 627 -16.538 -4.025 7.675 1.00 8.70 C ATOM 61 OG SER A 627 -16.720 -5.120 8.565 1.00 9.26 O ATOM 0 H SER A 627 -16.785 -3.049 9.913 1.00 9.08 H new ATOM 0 HA SER A 627 -14.545 -3.500 8.245 1.00 8.35 H new ATOM 0 HB2 SER A 627 -17.492 -3.527 7.505 1.00 8.70 H new ATOM 0 HB3 SER A 627 -16.192 -4.390 6.708 1.00 8.70 H new ATOM 0 HG SER A 627 -15.862 -5.353 8.976 1.00 9.26 H new ATOM 67 N PRO A 628 -14.378 -1.637 6.575 1.00 6.76 N ATOM 68 CA PRO A 628 -14.112 -0.428 5.786 1.00 5.93 C ATOM 69 C PRO A 628 -15.050 -0.268 4.589 1.00 5.48 C ATOM 70 O PRO A 628 -14.639 -0.409 3.433 1.00 5.24 O ATOM 71 CB PRO A 628 -12.671 -0.624 5.317 1.00 5.90 C ATOM 72 CG PRO A 628 -12.474 -2.099 5.288 1.00 6.58 C ATOM 73 CD PRO A 628 -13.339 -2.662 6.381 1.00 7.14 C ATOM 0 HA PRO A 628 -14.270 0.475 6.375 1.00 5.93 H new ATOM 0 HB2 PRO A 628 -12.513 -0.185 4.332 1.00 5.90 H new ATOM 0 HB3 PRO A 628 -11.966 -0.145 5.996 1.00 5.90 H new ATOM 0 HG2 PRO A 628 -12.756 -2.510 4.319 1.00 6.58 H new ATOM 0 HG3 PRO A 628 -11.427 -2.355 5.450 1.00 6.58 H new ATOM 0 HD2 PRO A 628 -13.772 -3.620 6.094 1.00 7.14 H new ATOM 0 HD3 PRO A 628 -12.769 -2.831 7.295 1.00 7.14 H new ATOM 81 N ASP A 629 -16.313 0.017 4.878 1.00 5.68 N ATOM 82 CA ASP A 629 -17.294 0.299 3.835 1.00 5.52 C ATOM 83 C ASP A 629 -17.012 1.658 3.217 1.00 4.87 C ATOM 84 O ASP A 629 -17.188 1.861 2.016 1.00 4.76 O ATOM 85 CB ASP A 629 -18.719 0.276 4.394 1.00 6.23 C ATOM 86 CG ASP A 629 -19.098 -1.063 4.988 1.00 6.68 C ATOM 87 OD1 ASP A 629 -19.144 -1.175 6.232 1.00 7.07 O ATOM 88 OD2 ASP A 629 -19.334 -2.013 4.212 1.00 6.91 O ATOM 0 H ASP A 629 -16.684 0.059 5.827 1.00 5.68 H new ATOM 0 HA ASP A 629 -17.211 -0.477 3.074 1.00 5.52 H new ATOM 0 HB2 ASP A 629 -18.816 1.047 5.158 1.00 6.23 H new ATOM 0 HB3 ASP A 629 -19.420 0.526 3.598 1.00 6.23 H new ATOM 93 N ARG A 630 -16.579 2.587 4.053 1.00 4.79 N ATOM 94 CA ARG A 630 -16.199 3.912 3.602 1.00 4.57 C ATOM 95 C ARG A 630 -14.680 4.039 3.610 1.00 4.10 C ATOM 96 O ARG A 630 -14.081 4.429 4.611 1.00 4.34 O ATOM 97 CB ARG A 630 -16.827 4.983 4.497 1.00 5.38 C ATOM 98 CG ARG A 630 -16.407 6.397 4.135 1.00 5.89 C ATOM 99 CD ARG A 630 -16.951 7.419 5.118 1.00 6.81 C ATOM 100 NE ARG A 630 -16.327 8.723 4.921 1.00 7.37 N ATOM 101 CZ ARG A 630 -16.817 9.872 5.380 1.00 8.27 C ATOM 102 NH1 ARG A 630 -17.944 9.893 6.083 1.00 8.70 N ATOM 103 NH2 ARG A 630 -16.172 11.003 5.131 1.00 8.95 N ATOM 0 H ARG A 630 -16.482 2.444 5.058 1.00 4.79 H new ATOM 0 HA ARG A 630 -16.565 4.059 2.586 1.00 4.57 H new ATOM 0 HB2 ARG A 630 -17.913 4.907 4.434 1.00 5.38 H new ATOM 0 HB3 ARG A 630 -16.554 4.785 5.533 1.00 5.38 H new ATOM 0 HG2 ARG A 630 -15.319 6.458 4.113 1.00 5.89 H new ATOM 0 HG3 ARG A 630 -16.760 6.635 3.132 1.00 5.89 H new ATOM 0 HD2 ARG A 630 -18.030 7.507 4.995 1.00 6.81 H new ATOM 0 HD3 ARG A 630 -16.773 7.078 6.138 1.00 6.81 H new ATOM 0 HE ARG A 630 -15.454 8.756 4.395 1.00 7.37 H new ATOM 0 HH11 ARG A 630 -18.442 9.024 6.275 1.00 8.70 H new ATOM 0 HH12 ARG A 630 -18.312 10.779 6.431 1.00 8.70 H new ATOM 0 HH21 ARG A 630 -15.307 10.988 4.591 1.00 8.95 H new ATOM 0 HH22 ARG A 630 -16.541 11.888 5.479 1.00 8.95 H new ATOM 117 N CYS A 631 -14.062 3.678 2.502 1.00 3.77 N ATOM 118 CA CYS A 631 -12.617 3.735 2.385 1.00 3.49 C ATOM 119 C CYS A 631 -12.204 4.553 1.165 1.00 3.17 C ATOM 120 O CYS A 631 -11.505 4.063 0.278 1.00 3.32 O ATOM 121 CB CYS A 631 -12.053 2.315 2.313 1.00 3.72 C ATOM 122 SG CYS A 631 -13.005 1.198 1.259 1.00 4.38 S ATOM 0 H CYS A 631 -14.540 3.341 1.667 1.00 3.77 H new ATOM 0 HA CYS A 631 -12.207 4.231 3.265 1.00 3.49 H new ATOM 0 HB2 CYS A 631 -11.028 2.360 1.944 1.00 3.72 H new ATOM 0 HB3 CYS A 631 -12.011 1.900 3.320 1.00 3.72 H new ATOM 0 HG CYS A 631 -13.756 0.437 1.999 1.00 4.38 H new ATOM 128 N GLN A 632 -12.647 5.806 1.125 1.00 3.10 N ATOM 129 CA GLN A 632 -12.345 6.689 0.003 1.00 3.01 C ATOM 130 C GLN A 632 -11.875 8.063 0.475 1.00 2.97 C ATOM 131 O GLN A 632 -11.760 8.996 -0.321 1.00 2.93 O ATOM 132 CB GLN A 632 -13.577 6.845 -0.890 1.00 3.40 C ATOM 133 CG GLN A 632 -13.913 5.599 -1.695 1.00 3.70 C ATOM 134 CD GLN A 632 -12.828 5.241 -2.694 1.00 4.22 C ATOM 135 OE1 GLN A 632 -12.118 6.112 -3.199 1.00 4.67 O ATOM 136 NE2 GLN A 632 -12.688 3.959 -2.983 1.00 4.57 N ATOM 0 H GLN A 632 -13.216 6.233 1.856 1.00 3.10 H new ATOM 0 HA GLN A 632 -11.535 6.233 -0.565 1.00 3.01 H new ATOM 0 HB2 GLN A 632 -14.434 7.107 -0.269 1.00 3.40 H new ATOM 0 HB3 GLN A 632 -13.414 7.676 -1.576 1.00 3.40 H new ATOM 0 HG2 GLN A 632 -14.066 4.761 -1.015 1.00 3.70 H new ATOM 0 HG3 GLN A 632 -14.853 5.755 -2.225 1.00 3.70 H new ATOM 0 HE21 GLN A 632 -13.296 3.268 -2.544 1.00 4.57 H new ATOM 0 HE22 GLN A 632 -11.972 3.661 -3.645 1.00 4.57 H new ATOM 145 N ASP A 633 -11.590 8.186 1.764 1.00 3.23 N ATOM 146 CA ASP A 633 -11.176 9.470 2.330 1.00 3.48 C ATOM 147 C ASP A 633 -9.657 9.566 2.405 1.00 3.00 C ATOM 148 O ASP A 633 -9.092 10.657 2.469 1.00 3.13 O ATOM 149 CB ASP A 633 -11.784 9.665 3.720 1.00 4.11 C ATOM 150 CG ASP A 633 -13.298 9.645 3.700 1.00 4.69 C ATOM 151 OD1 ASP A 633 -13.889 8.557 3.876 1.00 5.22 O ATOM 152 OD2 ASP A 633 -13.907 10.718 3.509 1.00 4.94 O ATOM 0 H ASP A 633 -11.636 7.420 2.436 1.00 3.23 H new ATOM 0 HA ASP A 633 -11.540 10.260 1.673 1.00 3.48 H new ATOM 0 HB2 ASP A 633 -11.422 8.880 4.384 1.00 4.11 H new ATOM 0 HB3 ASP A 633 -11.442 10.614 4.132 1.00 4.11 H new ATOM 157 N TRP A 634 -9.005 8.411 2.367 1.00 2.60 N ATOM 158 CA TRP A 634 -7.547 8.330 2.425 1.00 2.30 C ATOM 159 C TRP A 634 -6.914 8.954 1.182 1.00 1.84 C ATOM 160 O TRP A 634 -5.722 9.269 1.161 1.00 1.69 O ATOM 161 CB TRP A 634 -7.105 6.870 2.578 1.00 2.47 C ATOM 162 CG TRP A 634 -7.552 5.986 1.456 1.00 2.40 C ATOM 163 CD1 TRP A 634 -8.793 5.448 1.288 1.00 2.72 C ATOM 164 CD2 TRP A 634 -6.764 5.532 0.351 1.00 2.37 C ATOM 165 NE1 TRP A 634 -8.830 4.697 0.141 1.00 2.82 N ATOM 166 CE2 TRP A 634 -7.596 4.732 -0.452 1.00 2.72 C ATOM 167 CE3 TRP A 634 -5.437 5.727 -0.040 1.00 2.38 C ATOM 168 CZ2 TRP A 634 -7.145 4.130 -1.621 1.00 3.15 C ATOM 169 CZ3 TRP A 634 -4.991 5.126 -1.200 1.00 2.88 C ATOM 170 CH2 TRP A 634 -5.842 4.339 -1.981 1.00 3.28 C ATOM 0 H TRP A 634 -9.468 7.505 2.295 1.00 2.60 H new ATOM 0 HA TRP A 634 -7.207 8.893 3.294 1.00 2.30 H new ATOM 0 HB2 TRP A 634 -6.018 6.834 2.646 1.00 2.47 H new ATOM 0 HB3 TRP A 634 -7.497 6.477 3.516 1.00 2.47 H new ATOM 0 HD1 TRP A 634 -9.626 5.592 1.960 1.00 2.72 H new ATOM 0 HE1 TRP A 634 -9.644 4.194 -0.213 1.00 2.82 H new ATOM 0 HE3 TRP A 634 -4.772 6.337 0.554 1.00 2.38 H new ATOM 0 HZ2 TRP A 634 -7.800 3.519 -2.224 1.00 3.15 H new ATOM 0 HZ3 TRP A 634 -3.966 5.266 -1.510 1.00 2.88 H new ATOM 0 HH2 TRP A 634 -5.464 3.887 -2.886 1.00 3.28 H new ATOM 181 N LEU A 635 -7.722 9.119 0.139 1.00 1.89 N ATOM 182 CA LEU A 635 -7.267 9.742 -1.099 1.00 2.05 C ATOM 183 C LEU A 635 -6.746 11.151 -0.843 1.00 2.36 C ATOM 184 O LEU A 635 -5.910 11.650 -1.589 1.00 2.50 O ATOM 185 CB LEU A 635 -8.394 9.794 -2.141 1.00 2.45 C ATOM 186 CG LEU A 635 -8.706 8.484 -2.881 1.00 2.54 C ATOM 187 CD1 LEU A 635 -7.463 7.938 -3.568 1.00 2.83 C ATOM 188 CD2 LEU A 635 -9.293 7.446 -1.939 1.00 3.12 C ATOM 0 H LEU A 635 -8.700 8.828 0.127 1.00 1.89 H new ATOM 0 HA LEU A 635 -6.455 9.129 -1.489 1.00 2.05 H new ATOM 0 HB2 LEU A 635 -9.304 10.129 -1.643 1.00 2.45 H new ATOM 0 HB3 LEU A 635 -8.139 10.552 -2.882 1.00 2.45 H new ATOM 0 HG LEU A 635 -9.451 8.707 -3.645 1.00 2.54 H new ATOM 0 HD11 LEU A 635 -7.710 7.011 -4.085 1.00 2.83 H new ATOM 0 HD12 LEU A 635 -7.095 8.668 -4.289 1.00 2.83 H new ATOM 0 HD13 LEU A 635 -6.691 7.744 -2.823 1.00 2.83 H new ATOM 0 HD21 LEU A 635 -9.503 6.530 -2.492 1.00 3.12 H new ATOM 0 HD22 LEU A 635 -8.580 7.233 -1.142 1.00 3.12 H new ATOM 0 HD23 LEU A 635 -10.217 7.829 -1.506 1.00 3.12 H new ATOM 200 N GLU A 636 -7.237 11.780 0.221 1.00 2.71 N ATOM 201 CA GLU A 636 -6.782 13.108 0.604 1.00 3.25 C ATOM 202 C GLU A 636 -5.319 13.061 1.040 1.00 3.07 C ATOM 203 O GLU A 636 -4.561 14.007 0.826 1.00 3.33 O ATOM 204 CB GLU A 636 -7.653 13.659 1.732 1.00 3.85 C ATOM 205 CG GLU A 636 -7.350 15.105 2.096 1.00 4.37 C ATOM 206 CD GLU A 636 -7.557 16.059 0.935 1.00 4.88 C ATOM 207 OE1 GLU A 636 -8.725 16.304 0.564 1.00 5.12 O ATOM 208 OE2 GLU A 636 -6.557 16.583 0.395 1.00 5.37 O ATOM 0 H GLU A 636 -7.952 11.388 0.833 1.00 2.71 H new ATOM 0 HA GLU A 636 -6.867 13.769 -0.259 1.00 3.25 H new ATOM 0 HB2 GLU A 636 -8.700 13.580 1.441 1.00 3.85 H new ATOM 0 HB3 GLU A 636 -7.521 13.037 2.617 1.00 3.85 H new ATOM 0 HG2 GLU A 636 -7.988 15.407 2.927 1.00 4.37 H new ATOM 0 HG3 GLU A 636 -6.319 15.179 2.442 1.00 4.37 H new ATOM 215 N ALA A 637 -4.924 11.945 1.634 1.00 2.79 N ATOM 216 CA ALA A 637 -3.544 11.743 2.048 1.00 2.78 C ATOM 217 C ALA A 637 -2.642 11.608 0.827 1.00 2.28 C ATOM 218 O ALA A 637 -1.537 12.148 0.784 1.00 2.44 O ATOM 219 CB ALA A 637 -3.437 10.511 2.928 1.00 2.89 C ATOM 0 H ALA A 637 -5.544 11.162 1.841 1.00 2.79 H new ATOM 0 HA ALA A 637 -3.218 12.609 2.624 1.00 2.78 H new ATOM 0 HB1 ALA A 637 -2.400 10.370 3.232 1.00 2.89 H new ATOM 0 HB2 ALA A 637 -4.060 10.641 3.813 1.00 2.89 H new ATOM 0 HB3 ALA A 637 -3.775 9.636 2.372 1.00 2.89 H new ATOM 225 N LEU A 638 -3.135 10.896 -0.176 1.00 1.83 N ATOM 226 CA LEU A 638 -2.414 10.750 -1.437 1.00 1.65 C ATOM 227 C LEU A 638 -2.539 12.008 -2.289 1.00 2.09 C ATOM 228 O LEU A 638 -1.864 12.156 -3.304 1.00 2.25 O ATOM 229 CB LEU A 638 -2.926 9.541 -2.223 1.00 1.61 C ATOM 230 CG LEU A 638 -2.223 8.213 -1.930 1.00 1.61 C ATOM 231 CD1 LEU A 638 -2.402 7.799 -0.478 1.00 2.00 C ATOM 232 CD2 LEU A 638 -2.746 7.135 -2.865 1.00 1.99 C ATOM 0 H LEU A 638 -4.031 10.410 -0.143 1.00 1.83 H new ATOM 0 HA LEU A 638 -1.363 10.594 -1.196 1.00 1.65 H new ATOM 0 HB2 LEU A 638 -3.990 9.421 -2.017 1.00 1.61 H new ATOM 0 HB3 LEU A 638 -2.829 9.755 -3.287 1.00 1.61 H new ATOM 0 HG LEU A 638 -1.155 8.345 -2.102 1.00 1.61 H new ATOM 0 HD11 LEU A 638 -1.891 6.852 -0.304 1.00 2.00 H new ATOM 0 HD12 LEU A 638 -1.980 8.564 0.173 1.00 2.00 H new ATOM 0 HD13 LEU A 638 -3.464 7.683 -0.261 1.00 2.00 H new ATOM 0 HD21 LEU A 638 -2.242 6.192 -2.652 1.00 1.99 H new ATOM 0 HD22 LEU A 638 -3.819 7.014 -2.717 1.00 1.99 H new ATOM 0 HD23 LEU A 638 -2.553 7.424 -3.898 1.00 1.99 H new ATOM 244 N HIS A 639 -3.421 12.902 -1.876 1.00 2.51 N ATOM 245 CA HIS A 639 -3.697 14.120 -2.621 1.00 3.15 C ATOM 246 C HIS A 639 -2.511 15.081 -2.559 1.00 3.32 C ATOM 247 O HIS A 639 -2.192 15.740 -3.546 1.00 3.71 O ATOM 248 CB HIS A 639 -4.966 14.777 -2.070 1.00 3.69 C ATOM 249 CG HIS A 639 -5.425 15.994 -2.810 1.00 4.41 C ATOM 250 ND1 HIS A 639 -6.101 17.021 -2.194 1.00 4.97 N ATOM 251 CD2 HIS A 639 -5.332 16.335 -4.116 1.00 4.95 C ATOM 252 CE1 HIS A 639 -6.405 17.943 -3.086 1.00 5.62 C ATOM 253 NE2 HIS A 639 -5.949 17.550 -4.260 1.00 5.61 N ATOM 0 H HIS A 639 -3.964 12.805 -1.018 1.00 2.51 H new ATOM 0 HA HIS A 639 -3.855 13.867 -3.669 1.00 3.15 H new ATOM 0 HB2 HIS A 639 -5.770 14.041 -2.078 1.00 3.69 H new ATOM 0 HB3 HIS A 639 -4.793 15.048 -1.029 1.00 3.69 H new ATOM 0 HD1 HIS A 639 -6.331 17.063 -1.201 1.00 4.97 H new ATOM 0 HD2 HIS A 639 -4.860 15.758 -4.898 1.00 4.95 H new ATOM 0 HE1 HIS A 639 -6.936 18.862 -2.889 1.00 5.62 H new ATOM 262 N TRP A 640 -1.852 15.156 -1.410 1.00 3.17 N ATOM 263 CA TRP A 640 -0.708 16.049 -1.271 1.00 3.45 C ATOM 264 C TRP A 640 0.619 15.300 -1.434 1.00 2.97 C ATOM 265 O TRP A 640 1.602 15.876 -1.903 1.00 3.21 O ATOM 266 CB TRP A 640 -0.758 16.819 0.061 1.00 3.97 C ATOM 267 CG TRP A 640 -0.737 15.961 1.296 1.00 4.43 C ATOM 268 CD1 TRP A 640 -1.723 15.122 1.727 1.00 4.57 C ATOM 269 CD2 TRP A 640 0.306 15.889 2.279 1.00 5.16 C ATOM 270 NE1 TRP A 640 -1.349 14.515 2.901 1.00 5.35 N ATOM 271 CE2 TRP A 640 -0.109 14.970 3.261 1.00 5.75 C ATOM 272 CE3 TRP A 640 1.554 16.504 2.422 1.00 5.54 C ATOM 273 CZ2 TRP A 640 0.677 14.653 4.367 1.00 6.72 C ATOM 274 CZ3 TRP A 640 2.333 16.188 3.520 1.00 6.48 C ATOM 275 CH2 TRP A 640 1.892 15.270 4.478 1.00 7.07 C ATOM 0 H TRP A 640 -2.084 14.620 -0.574 1.00 3.17 H new ATOM 0 HA TRP A 640 -0.767 16.780 -2.078 1.00 3.45 H new ATOM 0 HB2 TRP A 640 0.089 17.504 0.099 1.00 3.97 H new ATOM 0 HB3 TRP A 640 -1.661 17.429 0.076 1.00 3.97 H new ATOM 0 HD1 TRP A 640 -2.662 14.959 1.219 1.00 4.57 H new ATOM 0 HE1 TRP A 640 -1.905 13.836 3.420 1.00 5.35 H new ATOM 0 HE3 TRP A 640 1.904 17.214 1.687 1.00 5.54 H new ATOM 0 HZ2 TRP A 640 0.339 13.946 5.110 1.00 6.72 H new ATOM 0 HZ3 TRP A 640 3.298 16.658 3.640 1.00 6.48 H new ATOM 0 HH2 TRP A 640 2.525 15.044 5.324 1.00 7.07 H new ATOM 286 N TYR A 641 0.632 14.013 -1.067 1.00 2.48 N ATOM 287 CA TYR A 641 1.829 13.167 -1.190 1.00 2.29 C ATOM 288 C TYR A 641 3.015 13.726 -0.401 1.00 2.37 C ATOM 289 O TYR A 641 2.864 14.659 0.386 1.00 2.80 O ATOM 290 CB TYR A 641 2.225 12.980 -2.663 1.00 2.57 C ATOM 291 CG TYR A 641 1.529 11.827 -3.353 1.00 2.91 C ATOM 292 CD1 TYR A 641 1.439 10.581 -2.746 1.00 3.42 C ATOM 293 CD2 TYR A 641 0.952 11.988 -4.608 1.00 3.41 C ATOM 294 CE1 TYR A 641 0.797 9.528 -3.370 1.00 4.14 C ATOM 295 CE2 TYR A 641 0.309 10.939 -5.237 1.00 4.25 C ATOM 296 CZ TYR A 641 0.264 9.703 -4.629 1.00 4.51 C ATOM 297 OH TYR A 641 -0.406 8.663 -5.238 1.00 5.50 O ATOM 0 H TYR A 641 -0.179 13.530 -0.679 1.00 2.48 H new ATOM 0 HA TYR A 641 1.570 12.198 -0.765 1.00 2.29 H new ATOM 0 HB2 TYR A 641 2.005 13.899 -3.206 1.00 2.57 H new ATOM 0 HB3 TYR A 641 3.302 12.826 -2.721 1.00 2.57 H new ATOM 0 HD1 TYR A 641 1.878 10.432 -1.770 1.00 3.42 H new ATOM 0 HD2 TYR A 641 1.007 12.948 -5.099 1.00 3.41 H new ATOM 0 HE1 TYR A 641 0.713 8.573 -2.873 1.00 4.14 H new ATOM 0 HE2 TYR A 641 -0.156 11.087 -6.200 1.00 4.25 H new ATOM 0 HH TYR A 641 -0.721 8.949 -6.121 1.00 5.50 H new ATOM 307 N ASN A 642 4.190 13.134 -0.621 1.00 2.55 N ATOM 308 CA ASN A 642 5.416 13.517 0.085 1.00 2.95 C ATOM 309 C ASN A 642 5.234 13.335 1.587 1.00 2.85 C ATOM 310 O ASN A 642 5.059 14.297 2.338 1.00 3.27 O ATOM 311 CB ASN A 642 5.820 14.961 -0.247 1.00 3.71 C ATOM 312 CG ASN A 642 7.202 15.320 0.277 1.00 4.38 C ATOM 313 OD1 ASN A 642 8.210 15.093 -0.396 1.00 4.86 O ATOM 314 ND2 ASN A 642 7.265 15.886 1.472 1.00 4.90 N ATOM 0 H ASN A 642 4.320 12.377 -1.292 1.00 2.55 H new ATOM 0 HA ASN A 642 6.223 12.865 -0.250 1.00 2.95 H new ATOM 0 HB2 ASN A 642 5.798 15.100 -1.328 1.00 3.71 H new ATOM 0 HB3 ASN A 642 5.086 15.646 0.177 1.00 3.71 H new ATOM 0 HD21 ASN A 642 8.169 16.150 1.864 1.00 4.90 H new ATOM 0 HD22 ASN A 642 6.410 16.059 2.000 1.00 4.90 H new ATOM 321 N THR A 643 5.268 12.085 2.014 1.00 2.87 N ATOM 322 CA THR A 643 5.007 11.745 3.397 1.00 3.35 C ATOM 323 C THR A 643 5.842 10.528 3.814 1.00 3.70 C ATOM 324 O THR A 643 5.317 9.494 4.217 1.00 4.43 O ATOM 325 CB THR A 643 3.487 11.498 3.612 1.00 4.03 C ATOM 326 OG1 THR A 643 3.208 11.131 4.967 1.00 4.46 O ATOM 327 CG2 THR A 643 2.954 10.428 2.666 1.00 4.33 C ATOM 0 H THR A 643 5.476 11.285 1.416 1.00 2.87 H new ATOM 0 HA THR A 643 5.302 12.581 4.032 1.00 3.35 H new ATOM 0 HB THR A 643 2.979 12.437 3.391 1.00 4.03 H new ATOM 0 HG1 THR A 643 4.038 11.146 5.488 1.00 4.46 H new ATOM 0 HG21 THR A 643 1.889 10.282 2.845 1.00 4.33 H new ATOM 0 HG22 THR A 643 3.109 10.745 1.635 1.00 4.33 H new ATOM 0 HG23 THR A 643 3.483 9.491 2.841 1.00 4.33 H new ATOM 335 N ALA A 644 7.156 10.664 3.697 1.00 3.58 N ATOM 336 CA ALA A 644 8.072 9.584 4.042 1.00 4.14 C ATOM 337 C ALA A 644 8.284 9.495 5.547 1.00 5.22 C ATOM 338 O ALA A 644 8.144 8.427 6.141 1.00 5.98 O ATOM 339 CB ALA A 644 9.401 9.775 3.331 1.00 3.76 C ATOM 0 H ALA A 644 7.613 11.513 3.365 1.00 3.58 H new ATOM 0 HA ALA A 644 7.625 8.646 3.713 1.00 4.14 H new ATOM 0 HB1 ALA A 644 10.076 8.962 3.597 1.00 3.76 H new ATOM 0 HB2 ALA A 644 9.240 9.775 2.253 1.00 3.76 H new ATOM 0 HB3 ALA A 644 9.841 10.725 3.632 1.00 3.76 H new ATOM 345 N LEU A 645 8.631 10.618 6.162 1.00 5.58 N ATOM 346 CA LEU A 645 8.842 10.659 7.601 1.00 6.84 C ATOM 347 C LEU A 645 7.591 11.159 8.309 1.00 7.35 C ATOM 348 O LEU A 645 7.340 10.826 9.471 1.00 8.01 O ATOM 349 CB LEU A 645 10.045 11.537 7.948 1.00 7.29 C ATOM 350 CG LEU A 645 11.393 11.026 7.429 1.00 7.38 C ATOM 351 CD1 LEU A 645 12.515 11.958 7.852 1.00 7.91 C ATOM 352 CD2 LEU A 645 11.667 9.613 7.925 1.00 7.94 C ATOM 0 H LEU A 645 8.772 11.510 5.687 1.00 5.58 H new ATOM 0 HA LEU A 645 9.051 9.646 7.945 1.00 6.84 H new ATOM 0 HB2 LEU A 645 9.874 12.536 7.547 1.00 7.29 H new ATOM 0 HB3 LEU A 645 10.104 11.634 9.032 1.00 7.29 H new ATOM 0 HG LEU A 645 11.348 11.004 6.340 1.00 7.38 H new ATOM 0 HD11 LEU A 645 13.465 11.579 7.474 1.00 7.91 H new ATOM 0 HD12 LEU A 645 12.334 12.953 7.446 1.00 7.91 H new ATOM 0 HD13 LEU A 645 12.553 12.012 8.940 1.00 7.91 H new ATOM 0 HD21 LEU A 645 12.630 9.273 7.543 1.00 7.94 H new ATOM 0 HD22 LEU A 645 11.687 9.607 9.015 1.00 7.94 H new ATOM 0 HD23 LEU A 645 10.881 8.945 7.573 1.00 7.94 H new ATOM 364 N GLU A 646 6.809 11.967 7.608 1.00 7.22 N ATOM 365 CA GLU A 646 5.527 12.409 8.122 1.00 7.76 C ATOM 366 C GLU A 646 4.518 11.283 7.961 1.00 8.33 C ATOM 367 O GLU A 646 4.629 10.487 7.036 1.00 8.43 O ATOM 368 CB GLU A 646 5.056 13.663 7.379 1.00 7.59 C ATOM 369 CG GLU A 646 3.800 14.282 7.968 1.00 7.98 C ATOM 370 CD GLU A 646 3.934 14.559 9.452 1.00 8.43 C ATOM 371 OE1 GLU A 646 4.487 15.616 9.816 1.00 8.62 O ATOM 372 OE2 GLU A 646 3.478 13.724 10.263 1.00 8.80 O ATOM 0 H GLU A 646 7.042 12.328 6.683 1.00 7.22 H new ATOM 0 HA GLU A 646 5.624 12.662 9.178 1.00 7.76 H new ATOM 0 HB2 GLU A 646 5.856 14.404 7.390 1.00 7.59 H new ATOM 0 HB3 GLU A 646 4.871 13.409 6.335 1.00 7.59 H new ATOM 0 HG2 GLU A 646 3.578 15.213 7.446 1.00 7.98 H new ATOM 0 HG3 GLU A 646 2.956 13.613 7.801 1.00 7.98 H new ATOM 379 N MET A 647 3.546 11.213 8.851 1.00 8.91 N ATOM 380 CA MET A 647 2.578 10.128 8.826 1.00 9.60 C ATOM 381 C MET A 647 1.213 10.632 8.381 1.00 9.81 C ATOM 382 O MET A 647 0.720 11.644 8.880 1.00 10.24 O ATOM 383 CB MET A 647 2.479 9.478 10.208 1.00 10.34 C ATOM 384 CG MET A 647 1.496 8.316 10.278 1.00 10.82 C ATOM 385 SD MET A 647 1.921 6.957 9.170 1.00 11.51 S ATOM 386 CE MET A 647 3.521 6.470 9.817 1.00 12.08 C ATOM 0 H MET A 647 3.404 11.892 9.599 1.00 8.91 H new ATOM 0 HA MET A 647 2.917 9.381 8.108 1.00 9.60 H new ATOM 0 HB2 MET A 647 3.467 9.123 10.503 1.00 10.34 H new ATOM 0 HB3 MET A 647 2.183 10.235 10.934 1.00 10.34 H new ATOM 0 HG2 MET A 647 1.457 7.943 11.301 1.00 10.82 H new ATOM 0 HG3 MET A 647 0.498 8.678 10.032 1.00 10.82 H new ATOM 0 HE1 MET A 647 3.767 5.468 9.464 1.00 12.08 H new ATOM 0 HE2 MET A 647 4.281 7.172 9.474 1.00 12.08 H new ATOM 0 HE3 MET A 647 3.489 6.473 10.907 1.00 12.08 H new ATOM 396 N THR A 648 0.615 9.933 7.430 1.00 9.65 N ATOM 397 CA THR A 648 -0.720 10.261 6.964 1.00 9.89 C ATOM 398 C THR A 648 -1.770 9.457 7.723 1.00 10.52 C ATOM 399 O THR A 648 -2.312 8.477 7.209 1.00 10.68 O ATOM 400 CB THR A 648 -0.861 9.999 5.451 1.00 9.58 C ATOM 401 OG1 THR A 648 -0.277 8.731 5.107 1.00 9.43 O ATOM 402 CG2 THR A 648 -0.203 11.104 4.643 1.00 9.40 C ATOM 0 H THR A 648 1.037 9.130 6.964 1.00 9.65 H new ATOM 0 HA THR A 648 -0.881 11.323 7.151 1.00 9.89 H new ATOM 0 HB THR A 648 -1.924 9.981 5.211 1.00 9.58 H new ATOM 0 HG1 THR A 648 0.699 8.795 5.161 1.00 9.43 H new ATOM 0 HG21 THR A 648 -0.317 10.894 3.579 1.00 9.40 H new ATOM 0 HG22 THR A 648 -0.676 12.057 4.878 1.00 9.40 H new ATOM 0 HG23 THR A 648 0.857 11.154 4.891 1.00 9.40 H new ATOM 410 N ASP A 649 -2.051 9.871 8.953 1.00 11.04 N ATOM 411 CA ASP A 649 -3.027 9.173 9.787 1.00 11.77 C ATOM 412 C ASP A 649 -4.450 9.508 9.368 1.00 11.96 C ATOM 413 O ASP A 649 -5.168 10.215 10.074 1.00 12.46 O ATOM 414 CB ASP A 649 -2.848 9.510 11.271 1.00 12.46 C ATOM 415 CG ASP A 649 -1.605 8.893 11.876 1.00 13.07 C ATOM 416 OD1 ASP A 649 -0.649 9.642 12.170 1.00 13.39 O ATOM 417 OD2 ASP A 649 -1.567 7.654 12.033 1.00 13.37 O ATOM 0 H ASP A 649 -1.620 10.683 9.395 1.00 11.04 H new ATOM 0 HA ASP A 649 -2.852 8.107 9.645 1.00 11.77 H new ATOM 0 HB2 ASP A 649 -2.803 10.593 11.388 1.00 12.46 H new ATOM 0 HB3 ASP A 649 -3.722 9.166 11.823 1.00 12.46 H new ATOM 422 N CYS A 650 -4.863 8.987 8.224 1.00 11.69 N ATOM 423 CA CYS A 650 -6.231 9.156 7.759 1.00 11.94 C ATOM 424 C CYS A 650 -7.112 8.038 8.313 1.00 12.07 C ATOM 425 O CYS A 650 -8.107 7.640 7.705 1.00 12.15 O ATOM 426 CB CYS A 650 -6.270 9.174 6.229 1.00 11.96 C ATOM 427 SG CYS A 650 -5.442 7.764 5.462 1.00 12.13 S ATOM 0 H CYS A 650 -4.269 8.442 7.599 1.00 11.69 H new ATOM 0 HA CYS A 650 -6.616 10.109 8.121 1.00 11.94 H new ATOM 0 HB2 CYS A 650 -7.309 9.195 5.902 1.00 11.96 H new ATOM 0 HB3 CYS A 650 -5.805 10.094 5.874 1.00 11.96 H new ATOM 0 HG CYS A 650 -5.992 6.661 5.875 1.00 12.13 H new ATOM 433 N ASP A 651 -6.727 7.546 9.484 1.00 12.25 N ATOM 434 CA ASP A 651 -7.441 6.472 10.157 1.00 12.49 C ATOM 435 C ASP A 651 -8.696 7.010 10.830 1.00 12.81 C ATOM 436 O ASP A 651 -8.659 7.466 11.972 1.00 12.82 O ATOM 437 CB ASP A 651 -6.525 5.803 11.185 1.00 12.51 C ATOM 438 CG ASP A 651 -7.258 4.824 12.080 1.00 12.95 C ATOM 439 OD1 ASP A 651 -7.924 3.912 11.549 1.00 13.19 O ATOM 440 OD2 ASP A 651 -7.164 4.955 13.315 1.00 13.19 O ATOM 0 H ASP A 651 -5.910 7.882 9.993 1.00 12.25 H new ATOM 0 HA ASP A 651 -7.741 5.729 9.418 1.00 12.49 H new ATOM 0 HB2 ASP A 651 -5.723 5.280 10.664 1.00 12.51 H new ATOM 0 HB3 ASP A 651 -6.057 6.571 11.801 1.00 12.51 H new ATOM 445 N GLU A 652 -9.800 6.981 10.102 1.00 13.23 N ATOM 446 CA GLU A 652 -11.063 7.498 10.602 1.00 13.69 C ATOM 447 C GLU A 652 -12.194 6.528 10.277 1.00 13.73 C ATOM 448 O GLU A 652 -13.253 6.922 9.781 1.00 14.19 O ATOM 449 CB GLU A 652 -11.346 8.874 9.993 1.00 14.37 C ATOM 450 CG GLU A 652 -10.301 9.922 10.346 1.00 14.63 C ATOM 451 CD GLU A 652 -10.534 11.237 9.643 1.00 15.07 C ATOM 452 OE1 GLU A 652 -10.144 11.357 8.465 1.00 15.16 O ATOM 453 OE2 GLU A 652 -11.107 12.157 10.263 1.00 15.45 O ATOM 0 H GLU A 652 -9.847 6.602 9.156 1.00 13.23 H new ATOM 0 HA GLU A 652 -10.998 7.604 11.685 1.00 13.69 H new ATOM 0 HB2 GLU A 652 -11.401 8.778 8.909 1.00 14.37 H new ATOM 0 HB3 GLU A 652 -12.323 9.218 10.332 1.00 14.37 H new ATOM 0 HG2 GLU A 652 -10.306 10.085 11.424 1.00 14.63 H new ATOM 0 HG3 GLU A 652 -9.312 9.545 10.085 1.00 14.63 H new ATOM 460 N GLY A 653 -11.964 5.258 10.562 1.00 13.37 N ATOM 461 CA GLY A 653 -12.948 4.242 10.267 1.00 13.46 C ATOM 462 C GLY A 653 -12.820 3.046 11.179 1.00 12.98 C ATOM 463 O GLY A 653 -13.683 2.801 12.024 1.00 13.22 O ATOM 0 H GLY A 653 -11.108 4.911 10.995 1.00 13.37 H new ATOM 0 HA2 GLY A 653 -13.947 4.666 10.365 1.00 13.46 H new ATOM 0 HA3 GLY A 653 -12.838 3.921 9.231 1.00 13.46 H new ATOM 467 N GLY A 654 -11.737 2.308 11.018 1.00 12.43 N ATOM 468 CA GLY A 654 -11.521 1.119 11.810 1.00 12.06 C ATOM 469 C GLY A 654 -10.892 0.028 10.983 1.00 11.36 C ATOM 470 O GLY A 654 -9.950 -0.634 11.421 1.00 11.43 O ATOM 0 H GLY A 654 -10.997 2.513 10.347 1.00 12.43 H new ATOM 0 HA2 GLY A 654 -10.878 1.354 12.658 1.00 12.06 H new ATOM 0 HA3 GLY A 654 -12.470 0.771 12.217 1.00 12.06 H new ATOM 474 N GLU A 655 -11.436 -0.150 9.783 1.00 10.85 N ATOM 475 CA GLU A 655 -10.874 -1.045 8.778 1.00 10.24 C ATOM 476 C GLU A 655 -10.695 -2.460 9.316 1.00 9.73 C ATOM 477 O GLU A 655 -9.651 -3.091 9.127 1.00 9.57 O ATOM 478 CB GLU A 655 -9.547 -0.490 8.253 1.00 10.26 C ATOM 479 CG GLU A 655 -9.700 0.647 7.247 1.00 10.19 C ATOM 480 CD GLU A 655 -10.560 1.792 7.752 1.00 10.69 C ATOM 481 OE1 GLU A 655 -10.165 2.441 8.745 1.00 10.96 O ATOM 482 OE2 GLU A 655 -11.625 2.053 7.156 1.00 10.98 O ATOM 0 H GLU A 655 -12.285 0.326 9.479 1.00 10.85 H new ATOM 0 HA GLU A 655 -11.582 -1.102 7.951 1.00 10.24 H new ATOM 0 HB2 GLU A 655 -8.954 -0.137 9.097 1.00 10.26 H new ATOM 0 HB3 GLU A 655 -8.986 -1.300 7.787 1.00 10.26 H new ATOM 0 HG2 GLU A 655 -8.712 1.031 6.991 1.00 10.19 H new ATOM 0 HG3 GLU A 655 -10.136 0.253 6.329 1.00 10.19 H new ATOM 489 N TYR A 656 -11.725 -2.956 9.979 1.00 9.64 N ATOM 490 CA TYR A 656 -11.717 -4.314 10.484 1.00 9.25 C ATOM 491 C TYR A 656 -12.433 -5.224 9.499 1.00 8.16 C ATOM 492 O TYR A 656 -13.660 -5.314 9.494 1.00 8.22 O ATOM 493 CB TYR A 656 -12.378 -4.398 11.865 1.00 10.13 C ATOM 494 CG TYR A 656 -12.241 -5.764 12.511 1.00 10.38 C ATOM 495 CD1 TYR A 656 -11.259 -6.002 13.462 1.00 10.66 C ATOM 496 CD2 TYR A 656 -13.079 -6.821 12.159 1.00 10.57 C ATOM 497 CE1 TYR A 656 -11.115 -7.246 14.044 1.00 11.10 C ATOM 498 CE2 TYR A 656 -12.941 -8.066 12.740 1.00 10.97 C ATOM 499 CZ TYR A 656 -11.957 -8.273 13.681 1.00 11.23 C ATOM 500 OH TYR A 656 -11.810 -9.514 14.254 1.00 11.80 O ATOM 0 H TYR A 656 -12.579 -2.435 10.180 1.00 9.64 H new ATOM 0 HA TYR A 656 -10.682 -4.638 10.593 1.00 9.25 H new ATOM 0 HB2 TYR A 656 -11.934 -3.648 12.519 1.00 10.13 H new ATOM 0 HB3 TYR A 656 -13.436 -4.153 11.770 1.00 10.13 H new ATOM 0 HD1 TYR A 656 -10.596 -5.200 13.752 1.00 10.66 H new ATOM 0 HD2 TYR A 656 -13.850 -6.663 11.419 1.00 10.57 H new ATOM 0 HE1 TYR A 656 -10.344 -7.413 14.782 1.00 11.10 H new ATOM 0 HE2 TYR A 656 -13.601 -8.873 12.458 1.00 10.97 H new ATOM 0 HH TYR A 656 -12.484 -10.125 13.889 1.00 11.80 H new ATOM 510 N ASP A 657 -11.661 -5.869 8.649 1.00 7.39 N ATOM 511 CA ASP A 657 -12.205 -6.812 7.688 1.00 6.44 C ATOM 512 C ASP A 657 -11.416 -8.107 7.725 1.00 6.09 C ATOM 513 O ASP A 657 -11.924 -9.141 8.164 1.00 6.31 O ATOM 514 CB ASP A 657 -12.178 -6.212 6.283 1.00 6.14 C ATOM 515 CG ASP A 657 -12.709 -7.168 5.235 1.00 5.90 C ATOM 516 OD1 ASP A 657 -13.944 -7.334 5.149 1.00 5.94 O ATOM 517 OD2 ASP A 657 -11.896 -7.743 4.486 1.00 6.00 O ATOM 0 H ASP A 657 -10.648 -5.758 8.603 1.00 7.39 H new ATOM 0 HA ASP A 657 -13.241 -7.026 7.953 1.00 6.44 H new ATOM 0 HB2 ASP A 657 -12.771 -5.298 6.270 1.00 6.14 H new ATOM 0 HB3 ASP A 657 -11.155 -5.932 6.030 1.00 6.14 H new ATOM 522 N GLY A 658 -10.167 -8.035 7.287 1.00 5.88 N ATOM 523 CA GLY A 658 -9.300 -9.193 7.314 1.00 5.75 C ATOM 524 C GLY A 658 -9.824 -10.324 6.459 1.00 4.80 C ATOM 525 O GLY A 658 -10.050 -11.428 6.957 1.00 5.02 O ATOM 0 H GLY A 658 -9.738 -7.189 6.911 1.00 5.88 H new ATOM 0 HA2 GLY A 658 -8.307 -8.908 6.967 1.00 5.75 H new ATOM 0 HA3 GLY A 658 -9.191 -9.538 8.342 1.00 5.75 H new ATOM 529 N MET A 659 -10.051 -10.035 5.182 1.00 3.98 N ATOM 530 CA MET A 659 -10.472 -11.042 4.216 1.00 3.13 C ATOM 531 C MET A 659 -9.426 -12.147 4.102 1.00 2.86 C ATOM 532 O MET A 659 -8.515 -12.075 3.275 1.00 2.97 O ATOM 533 CB MET A 659 -10.698 -10.398 2.844 1.00 2.88 C ATOM 534 CG MET A 659 -11.204 -11.364 1.780 1.00 2.45 C ATOM 535 SD MET A 659 -11.271 -10.619 0.138 1.00 2.41 S ATOM 536 CE MET A 659 -9.527 -10.398 -0.210 1.00 2.25 C ATOM 0 H MET A 659 -9.949 -9.099 4.789 1.00 3.98 H new ATOM 0 HA MET A 659 -11.408 -11.480 4.564 1.00 3.13 H new ATOM 0 HB2 MET A 659 -11.414 -9.583 2.950 1.00 2.88 H new ATOM 0 HB3 MET A 659 -9.762 -9.956 2.503 1.00 2.88 H new ATOM 0 HG2 MET A 659 -10.555 -12.239 1.751 1.00 2.45 H new ATOM 0 HG3 MET A 659 -12.199 -11.714 2.056 1.00 2.45 H new ATOM 0 HE1 MET A 659 -9.383 -10.272 -1.283 1.00 2.25 H new ATOM 0 HE2 MET A 659 -9.161 -9.513 0.311 1.00 2.25 H new ATOM 0 HE3 MET A 659 -8.974 -11.274 0.130 1.00 2.25 H new ATOM 546 N GLN A 660 -9.562 -13.171 4.930 1.00 3.00 N ATOM 547 CA GLN A 660 -8.606 -14.263 4.953 1.00 3.07 C ATOM 548 C GLN A 660 -9.009 -15.335 3.946 1.00 2.63 C ATOM 549 O GLN A 660 -9.123 -16.519 4.269 1.00 3.22 O ATOM 550 CB GLN A 660 -8.491 -14.845 6.363 1.00 3.99 C ATOM 551 CG GLN A 660 -7.232 -15.667 6.581 1.00 4.68 C ATOM 552 CD GLN A 660 -7.033 -16.059 8.031 1.00 5.55 C ATOM 553 OE1 GLN A 660 -6.413 -15.326 8.800 1.00 6.02 O ATOM 554 NE2 GLN A 660 -7.550 -17.214 8.414 1.00 6.10 N ATOM 0 H GLN A 660 -10.328 -13.267 5.596 1.00 3.00 H new ATOM 0 HA GLN A 660 -7.626 -13.880 4.669 1.00 3.07 H new ATOM 0 HB2 GLN A 660 -8.512 -14.030 7.086 1.00 3.99 H new ATOM 0 HB3 GLN A 660 -9.362 -15.470 6.561 1.00 3.99 H new ATOM 0 HG2 GLN A 660 -7.281 -16.568 5.969 1.00 4.68 H new ATOM 0 HG3 GLN A 660 -6.367 -15.097 6.241 1.00 4.68 H new ATOM 0 HE21 GLN A 660 -8.057 -17.793 7.745 1.00 6.10 H new ATOM 0 HE22 GLN A 660 -7.441 -17.526 9.379 1.00 6.10 H new ATOM 563 N ASP A 661 -9.248 -14.894 2.725 1.00 2.13 N ATOM 564 CA ASP A 661 -9.539 -15.795 1.625 1.00 2.09 C ATOM 565 C ASP A 661 -8.299 -15.889 0.745 1.00 1.75 C ATOM 566 O ASP A 661 -7.428 -16.723 0.987 1.00 1.98 O ATOM 567 CB ASP A 661 -10.763 -15.311 0.836 1.00 2.69 C ATOM 568 CG ASP A 661 -11.124 -16.224 -0.318 1.00 3.26 C ATOM 569 OD1 ASP A 661 -10.757 -15.903 -1.465 1.00 3.86 O ATOM 570 OD2 ASP A 661 -11.785 -17.255 -0.089 1.00 3.59 O ATOM 0 H ASP A 661 -9.246 -13.907 2.468 1.00 2.13 H new ATOM 0 HA ASP A 661 -9.785 -16.787 2.004 1.00 2.09 H new ATOM 0 HB2 ASP A 661 -11.616 -15.233 1.511 1.00 2.69 H new ATOM 0 HB3 ASP A 661 -10.568 -14.310 0.452 1.00 2.69 H new ATOM 575 N GLU A 662 -8.201 -15.031 -0.263 1.00 1.44 N ATOM 576 CA GLU A 662 -6.935 -14.837 -0.951 1.00 1.24 C ATOM 577 C GLU A 662 -6.586 -13.349 -1.031 1.00 1.00 C ATOM 578 O GLU A 662 -6.877 -12.681 -2.025 1.00 1.01 O ATOM 579 CB GLU A 662 -6.967 -15.469 -2.351 1.00 1.40 C ATOM 580 CG GLU A 662 -8.110 -14.984 -3.229 1.00 1.93 C ATOM 581 CD GLU A 662 -8.090 -15.614 -4.604 1.00 2.45 C ATOM 582 OE1 GLU A 662 -7.322 -15.142 -5.471 1.00 2.64 O ATOM 583 OE2 GLU A 662 -8.847 -16.585 -4.827 1.00 3.19 O ATOM 0 H GLU A 662 -8.973 -14.466 -0.617 1.00 1.44 H new ATOM 0 HA GLU A 662 -6.157 -15.338 -0.376 1.00 1.24 H new ATOM 0 HB2 GLU A 662 -6.023 -15.258 -2.854 1.00 1.40 H new ATOM 0 HB3 GLU A 662 -7.038 -16.552 -2.247 1.00 1.40 H new ATOM 0 HG2 GLU A 662 -9.059 -15.210 -2.743 1.00 1.93 H new ATOM 0 HG3 GLU A 662 -8.053 -13.900 -3.328 1.00 1.93 H new ATOM 590 N PRO A 663 -5.965 -12.788 0.015 1.00 0.86 N ATOM 591 CA PRO A 663 -5.463 -11.425 -0.049 1.00 0.68 C ATOM 592 C PRO A 663 -4.111 -11.371 -0.753 1.00 0.57 C ATOM 593 O PRO A 663 -3.125 -11.921 -0.263 1.00 0.62 O ATOM 594 CB PRO A 663 -5.330 -11.043 1.425 1.00 0.69 C ATOM 595 CG PRO A 663 -5.038 -12.331 2.126 1.00 0.86 C ATOM 596 CD PRO A 663 -5.722 -13.418 1.328 1.00 0.97 C ATOM 0 HA PRO A 663 -6.110 -10.753 -0.612 1.00 0.68 H new ATOM 0 HB2 PRO A 663 -4.529 -10.320 1.576 1.00 0.69 H new ATOM 0 HB3 PRO A 663 -6.246 -10.587 1.800 1.00 0.69 H new ATOM 0 HG2 PRO A 663 -3.964 -12.508 2.181 1.00 0.86 H new ATOM 0 HG3 PRO A 663 -5.411 -12.309 3.150 1.00 0.86 H new ATOM 0 HD2 PRO A 663 -5.093 -14.304 1.237 1.00 0.97 H new ATOM 0 HD3 PRO A 663 -6.653 -13.735 1.799 1.00 0.97 H new ATOM 604 N ARG A 664 -4.045 -10.693 -1.886 1.00 0.52 N ATOM 605 CA ARG A 664 -2.786 -10.582 -2.607 1.00 0.49 C ATOM 606 C ARG A 664 -1.924 -9.460 -2.040 1.00 0.35 C ATOM 607 O ARG A 664 -0.697 -9.503 -2.139 1.00 0.34 O ATOM 608 CB ARG A 664 -3.016 -10.404 -4.109 1.00 0.65 C ATOM 609 CG ARG A 664 -3.618 -9.073 -4.506 1.00 1.17 C ATOM 610 CD ARG A 664 -4.088 -9.095 -5.947 1.00 1.16 C ATOM 611 NE ARG A 664 -5.191 -10.035 -6.140 1.00 1.69 N ATOM 612 CZ ARG A 664 -6.394 -9.684 -6.587 1.00 2.17 C ATOM 613 NH1 ARG A 664 -6.640 -8.422 -6.907 1.00 2.20 N ATOM 614 NH2 ARG A 664 -7.345 -10.597 -6.713 1.00 3.16 N ATOM 0 H ARG A 664 -4.835 -10.217 -2.322 1.00 0.52 H new ATOM 0 HA ARG A 664 -2.244 -11.517 -2.469 1.00 0.49 H new ATOM 0 HB2 ARG A 664 -2.063 -10.524 -4.625 1.00 0.65 H new ATOM 0 HB3 ARG A 664 -3.671 -11.202 -4.459 1.00 0.65 H new ATOM 0 HG2 ARG A 664 -4.457 -8.840 -3.850 1.00 1.17 H new ATOM 0 HG3 ARG A 664 -2.880 -8.282 -4.373 1.00 1.17 H new ATOM 0 HD2 ARG A 664 -4.406 -8.095 -6.242 1.00 1.16 H new ATOM 0 HD3 ARG A 664 -3.257 -9.370 -6.597 1.00 1.16 H new ATOM 0 HE ARG A 664 -5.029 -11.017 -5.919 1.00 1.69 H new ATOM 0 HH11 ARG A 664 -5.907 -7.719 -6.811 1.00 2.20 H new ATOM 0 HH12 ARG A 664 -7.562 -8.153 -7.250 1.00 2.20 H new ATOM 0 HH21 ARG A 664 -7.155 -11.569 -6.467 1.00 3.16 H new ATOM 0 HH22 ARG A 664 -8.267 -10.329 -7.056 1.00 3.16 H new ATOM 628 N TYR A 665 -2.562 -8.468 -1.417 1.00 0.30 N ATOM 629 CA TYR A 665 -1.837 -7.306 -0.913 1.00 0.25 C ATOM 630 C TYR A 665 -0.905 -7.700 0.227 1.00 0.22 C ATOM 631 O TYR A 665 0.151 -7.101 0.406 1.00 0.22 O ATOM 632 CB TYR A 665 -2.793 -6.178 -0.481 1.00 0.27 C ATOM 633 CG TYR A 665 -3.759 -6.517 0.640 1.00 0.35 C ATOM 634 CD1 TYR A 665 -5.083 -6.844 0.374 1.00 0.48 C ATOM 635 CD2 TYR A 665 -3.333 -6.541 1.960 1.00 0.42 C ATOM 636 CE1 TYR A 665 -5.953 -7.179 1.394 1.00 0.62 C ATOM 637 CE2 TYR A 665 -4.201 -6.873 2.985 1.00 0.56 C ATOM 638 CZ TYR A 665 -5.549 -7.085 2.692 1.00 0.64 C ATOM 639 OH TYR A 665 -6.370 -7.525 3.715 1.00 0.81 O ATOM 0 H TYR A 665 -3.568 -8.447 -1.252 1.00 0.30 H new ATOM 0 HA TYR A 665 -1.230 -6.919 -1.732 1.00 0.25 H new ATOM 0 HB2 TYR A 665 -2.195 -5.321 -0.172 1.00 0.27 H new ATOM 0 HB3 TYR A 665 -3.372 -5.866 -1.351 1.00 0.27 H new ATOM 0 HD1 TYR A 665 -5.438 -6.836 -0.646 1.00 0.48 H new ATOM 0 HD2 TYR A 665 -2.307 -6.296 2.191 1.00 0.42 H new ATOM 0 HE1 TYR A 665 -6.953 -7.515 1.163 1.00 0.62 H new ATOM 0 HE2 TYR A 665 -3.840 -6.967 3.999 1.00 0.56 H new ATOM 0 HH TYR A 665 -5.924 -7.384 4.576 1.00 0.81 H new ATOM 649 N MET A 666 -1.278 -8.735 0.970 1.00 0.25 N ATOM 650 CA MET A 666 -0.453 -9.214 2.071 1.00 0.28 C ATOM 651 C MET A 666 0.799 -9.884 1.528 1.00 0.25 C ATOM 652 O MET A 666 1.886 -9.741 2.086 1.00 0.25 O ATOM 653 CB MET A 666 -1.235 -10.193 2.951 1.00 0.37 C ATOM 654 CG MET A 666 -2.365 -9.545 3.737 1.00 0.48 C ATOM 655 SD MET A 666 -3.331 -10.739 4.681 1.00 1.17 S ATOM 656 CE MET A 666 -4.646 -9.691 5.296 1.00 1.14 C ATOM 0 H MET A 666 -2.143 -9.257 0.831 1.00 0.25 H new ATOM 0 HA MET A 666 -0.165 -8.359 2.683 1.00 0.28 H new ATOM 0 HB2 MET A 666 -1.648 -10.982 2.322 1.00 0.37 H new ATOM 0 HB3 MET A 666 -0.546 -10.669 3.649 1.00 0.37 H new ATOM 0 HG2 MET A 666 -1.949 -8.802 4.417 1.00 0.48 H new ATOM 0 HG3 MET A 666 -3.023 -9.015 3.049 1.00 0.48 H new ATOM 0 HE1 MET A 666 -4.923 -10.007 6.302 1.00 1.14 H new ATOM 0 HE2 MET A 666 -4.305 -8.656 5.322 1.00 1.14 H new ATOM 0 HE3 MET A 666 -5.512 -9.771 4.639 1.00 1.14 H new ATOM 666 N MET A 667 0.638 -10.588 0.416 1.00 0.26 N ATOM 667 CA MET A 667 1.751 -11.265 -0.234 1.00 0.27 C ATOM 668 C MET A 667 2.696 -10.236 -0.841 1.00 0.23 C ATOM 669 O MET A 667 3.912 -10.299 -0.654 1.00 0.23 O ATOM 670 CB MET A 667 1.230 -12.204 -1.326 1.00 0.34 C ATOM 671 CG MET A 667 2.319 -12.972 -2.062 1.00 0.47 C ATOM 672 SD MET A 667 1.678 -13.886 -3.481 1.00 1.20 S ATOM 673 CE MET A 667 1.182 -12.541 -4.557 1.00 1.10 C ATOM 0 H MET A 667 -0.258 -10.705 -0.057 1.00 0.26 H new ATOM 0 HA MET A 667 2.291 -11.853 0.508 1.00 0.27 H new ATOM 0 HB2 MET A 667 0.539 -12.917 -0.877 1.00 0.34 H new ATOM 0 HB3 MET A 667 0.660 -11.621 -2.049 1.00 0.34 H new ATOM 0 HG2 MET A 667 3.087 -12.275 -2.399 1.00 0.47 H new ATOM 0 HG3 MET A 667 2.799 -13.667 -1.373 1.00 0.47 H new ATOM 0 HE1 MET A 667 1.565 -12.719 -5.562 1.00 1.10 H new ATOM 0 HE2 MET A 667 0.094 -12.482 -4.588 1.00 1.10 H new ATOM 0 HE3 MET A 667 1.585 -11.603 -4.176 1.00 1.10 H new ATOM 683 N LEU A 668 2.116 -9.271 -1.544 1.00 0.21 N ATOM 684 CA LEU A 668 2.892 -8.227 -2.197 1.00 0.19 C ATOM 685 C LEU A 668 3.607 -7.354 -1.169 1.00 0.17 C ATOM 686 O LEU A 668 4.740 -6.921 -1.392 1.00 0.17 O ATOM 687 CB LEU A 668 1.989 -7.368 -3.091 1.00 0.21 C ATOM 688 CG LEU A 668 1.262 -8.120 -4.212 1.00 0.30 C ATOM 689 CD1 LEU A 668 0.426 -7.162 -5.049 1.00 0.82 C ATOM 690 CD2 LEU A 668 2.251 -8.873 -5.092 1.00 0.80 C ATOM 0 H LEU A 668 1.108 -9.191 -1.676 1.00 0.21 H new ATOM 0 HA LEU A 668 3.647 -8.706 -2.820 1.00 0.19 H new ATOM 0 HB2 LEU A 668 1.244 -6.879 -2.463 1.00 0.21 H new ATOM 0 HB3 LEU A 668 2.594 -6.580 -3.539 1.00 0.21 H new ATOM 0 HG LEU A 668 0.594 -8.847 -3.751 1.00 0.30 H new ATOM 0 HD11 LEU A 668 -0.081 -7.716 -5.839 1.00 0.82 H new ATOM 0 HD12 LEU A 668 -0.314 -6.675 -4.414 1.00 0.82 H new ATOM 0 HD13 LEU A 668 1.074 -6.407 -5.494 1.00 0.82 H new ATOM 0 HD21 LEU A 668 1.711 -9.398 -5.880 1.00 0.80 H new ATOM 0 HD22 LEU A 668 2.950 -8.167 -5.540 1.00 0.80 H new ATOM 0 HD23 LEU A 668 2.801 -9.594 -4.487 1.00 0.80 H new ATOM 702 N ALA A 669 2.966 -7.121 -0.026 1.00 0.18 N ATOM 703 CA ALA A 669 3.567 -6.312 1.023 1.00 0.19 C ATOM 704 C ALA A 669 4.624 -7.114 1.769 1.00 0.20 C ATOM 705 O ALA A 669 5.622 -6.563 2.236 1.00 0.22 O ATOM 706 CB ALA A 669 2.505 -5.804 1.986 1.00 0.23 C ATOM 0 H ALA A 669 2.037 -7.480 0.193 1.00 0.18 H new ATOM 0 HA ALA A 669 4.047 -5.450 0.560 1.00 0.19 H new ATOM 0 HB1 ALA A 669 2.976 -5.201 2.762 1.00 0.23 H new ATOM 0 HB2 ALA A 669 1.782 -5.195 1.443 1.00 0.23 H new ATOM 0 HB3 ALA A 669 1.994 -6.651 2.444 1.00 0.23 H new ATOM 712 N ARG A 670 4.406 -8.422 1.876 1.00 0.22 N ATOM 713 CA ARG A 670 5.385 -9.309 2.485 1.00 0.26 C ATOM 714 C ARG A 670 6.650 -9.332 1.644 1.00 0.23 C ATOM 715 O ARG A 670 7.764 -9.267 2.169 1.00 0.25 O ATOM 716 CB ARG A 670 4.821 -10.723 2.624 1.00 0.33 C ATOM 717 CG ARG A 670 5.789 -11.705 3.262 1.00 0.41 C ATOM 718 CD ARG A 670 5.147 -13.064 3.479 1.00 0.83 C ATOM 719 NE ARG A 670 6.090 -14.029 4.042 1.00 1.62 N ATOM 720 CZ ARG A 670 5.733 -15.188 4.597 1.00 2.33 C ATOM 721 NH1 ARG A 670 4.451 -15.514 4.705 1.00 2.41 N ATOM 722 NH2 ARG A 670 6.663 -16.014 5.061 1.00 3.33 N ATOM 0 H ARG A 670 3.560 -8.888 1.548 1.00 0.22 H new ATOM 0 HA ARG A 670 5.622 -8.936 3.481 1.00 0.26 H new ATOM 0 HB2 ARG A 670 3.910 -10.684 3.221 1.00 0.33 H new ATOM 0 HB3 ARG A 670 4.540 -11.092 1.637 1.00 0.33 H new ATOM 0 HG2 ARG A 670 6.668 -11.815 2.627 1.00 0.41 H new ATOM 0 HG3 ARG A 670 6.134 -11.308 4.217 1.00 0.41 H new ATOM 0 HD2 ARG A 670 4.292 -12.959 4.147 1.00 0.83 H new ATOM 0 HD3 ARG A 670 4.765 -13.441 2.530 1.00 0.83 H new ATOM 0 HE ARG A 670 7.084 -13.801 4.008 1.00 1.62 H new ATOM 0 HH11 ARG A 670 3.732 -14.877 4.362 1.00 2.41 H new ATOM 0 HH12 ARG A 670 4.185 -16.402 5.130 1.00 2.41 H new ATOM 0 HH21 ARG A 670 7.649 -15.762 4.993 1.00 3.33 H new ATOM 0 HH22 ARG A 670 6.392 -16.901 5.486 1.00 3.33 H new ATOM 736 N GLU A 671 6.471 -9.388 0.330 1.00 0.22 N ATOM 737 CA GLU A 671 7.592 -9.367 -0.586 1.00 0.23 C ATOM 738 C GLU A 671 8.295 -8.019 -0.495 1.00 0.19 C ATOM 739 O GLU A 671 9.518 -7.953 -0.412 1.00 0.21 O ATOM 740 CB GLU A 671 7.120 -9.648 -2.017 1.00 0.30 C ATOM 741 CG GLU A 671 8.221 -9.545 -3.057 1.00 0.38 C ATOM 742 CD GLU A 671 7.850 -10.204 -4.366 1.00 0.99 C ATOM 743 OE1 GLU A 671 7.316 -9.518 -5.259 1.00 1.89 O ATOM 744 OE2 GLU A 671 8.103 -11.418 -4.517 1.00 1.11 O ATOM 0 H GLU A 671 5.558 -9.448 -0.120 1.00 0.22 H new ATOM 0 HA GLU A 671 8.299 -10.150 -0.311 1.00 0.23 H new ATOM 0 HB2 GLU A 671 6.688 -10.648 -2.057 1.00 0.30 H new ATOM 0 HB3 GLU A 671 6.326 -8.947 -2.272 1.00 0.30 H new ATOM 0 HG2 GLU A 671 8.449 -8.494 -3.236 1.00 0.38 H new ATOM 0 HG3 GLU A 671 9.128 -10.006 -2.667 1.00 0.38 H new ATOM 751 N ALA A 672 7.506 -6.951 -0.481 1.00 0.17 N ATOM 752 CA ALA A 672 8.034 -5.604 -0.301 1.00 0.18 C ATOM 753 C ALA A 672 8.894 -5.500 0.958 1.00 0.20 C ATOM 754 O ALA A 672 9.973 -4.900 0.938 1.00 0.23 O ATOM 755 CB ALA A 672 6.896 -4.601 -0.239 1.00 0.21 C ATOM 0 H ALA A 672 6.493 -6.993 -0.593 1.00 0.17 H new ATOM 0 HA ALA A 672 8.669 -5.378 -1.158 1.00 0.18 H new ATOM 0 HB1 ALA A 672 7.302 -3.598 -0.104 1.00 0.21 H new ATOM 0 HB2 ALA A 672 6.326 -4.640 -1.167 1.00 0.21 H new ATOM 0 HB3 ALA A 672 6.243 -4.843 0.599 1.00 0.21 H new ATOM 761 N GLU A 673 8.418 -6.093 2.048 1.00 0.22 N ATOM 762 CA GLU A 673 9.148 -6.080 3.310 1.00 0.28 C ATOM 763 C GLU A 673 10.445 -6.879 3.176 1.00 0.28 C ATOM 764 O GLU A 673 11.487 -6.490 3.707 1.00 0.31 O ATOM 765 CB GLU A 673 8.279 -6.658 4.430 1.00 0.34 C ATOM 766 CG GLU A 673 8.861 -6.472 5.823 1.00 0.70 C ATOM 767 CD GLU A 673 8.909 -5.019 6.254 1.00 1.08 C ATOM 768 OE1 GLU A 673 7.891 -4.512 6.772 1.00 1.16 O ATOM 769 OE2 GLU A 673 9.964 -4.376 6.082 1.00 1.76 O ATOM 0 H GLU A 673 7.528 -6.590 2.082 1.00 0.22 H new ATOM 0 HA GLU A 673 9.398 -5.049 3.561 1.00 0.28 H new ATOM 0 HB2 GLU A 673 7.296 -6.188 4.392 1.00 0.34 H new ATOM 0 HB3 GLU A 673 8.131 -7.723 4.248 1.00 0.34 H new ATOM 0 HG2 GLU A 673 8.265 -7.038 6.539 1.00 0.70 H new ATOM 0 HG3 GLU A 673 9.869 -6.887 5.848 1.00 0.70 H new ATOM 776 N MET A 674 10.385 -7.980 2.434 1.00 0.27 N ATOM 777 CA MET A 674 11.564 -8.815 2.213 1.00 0.31 C ATOM 778 C MET A 674 12.536 -8.137 1.253 1.00 0.29 C ATOM 779 O MET A 674 13.730 -8.429 1.257 1.00 0.34 O ATOM 780 CB MET A 674 11.181 -10.197 1.674 1.00 0.36 C ATOM 781 CG MET A 674 10.409 -11.056 2.663 1.00 0.54 C ATOM 782 SD MET A 674 10.311 -12.787 2.159 1.00 0.60 S ATOM 783 CE MET A 674 9.444 -12.648 0.597 1.00 0.79 C ATOM 0 H MET A 674 9.537 -8.315 1.977 1.00 0.27 H new ATOM 0 HA MET A 674 12.052 -8.947 3.179 1.00 0.31 H new ATOM 0 HB2 MET A 674 10.581 -10.070 0.773 1.00 0.36 H new ATOM 0 HB3 MET A 674 12.088 -10.725 1.381 1.00 0.36 H new ATOM 0 HG2 MET A 674 10.886 -10.994 3.641 1.00 0.54 H new ATOM 0 HG3 MET A 674 9.401 -10.657 2.774 1.00 0.54 H new ATOM 0 HE1 MET A 674 9.247 -13.644 0.200 1.00 0.79 H new ATOM 0 HE2 MET A 674 8.500 -12.125 0.750 1.00 0.79 H new ATOM 0 HE3 MET A 674 10.057 -12.090 -0.111 1.00 0.79 H new ATOM 793 N LEU A 675 12.024 -7.225 0.440 1.00 0.26 N ATOM 794 CA LEU A 675 12.855 -6.463 -0.487 1.00 0.27 C ATOM 795 C LEU A 675 13.423 -5.235 0.209 1.00 0.30 C ATOM 796 O LEU A 675 14.338 -4.590 -0.291 1.00 0.39 O ATOM 797 CB LEU A 675 12.037 -6.028 -1.714 1.00 0.27 C ATOM 798 CG LEU A 675 12.105 -6.947 -2.941 1.00 0.32 C ATOM 799 CD1 LEU A 675 13.510 -6.977 -3.509 1.00 0.53 C ATOM 800 CD2 LEU A 675 11.641 -8.354 -2.605 1.00 0.47 C ATOM 0 H LEU A 675 11.032 -6.992 0.402 1.00 0.26 H new ATOM 0 HA LEU A 675 13.674 -7.102 -0.818 1.00 0.27 H new ATOM 0 HB2 LEU A 675 10.993 -5.936 -1.414 1.00 0.27 H new ATOM 0 HB3 LEU A 675 12.371 -5.034 -2.013 1.00 0.27 H new ATOM 0 HG LEU A 675 11.431 -6.542 -3.696 1.00 0.32 H new ATOM 0 HD11 LEU A 675 13.537 -7.634 -4.378 1.00 0.53 H new ATOM 0 HD12 LEU A 675 13.804 -5.970 -3.806 1.00 0.53 H new ATOM 0 HD13 LEU A 675 14.201 -7.348 -2.752 1.00 0.53 H new ATOM 0 HD21 LEU A 675 11.701 -8.979 -3.496 1.00 0.47 H new ATOM 0 HD22 LEU A 675 12.278 -8.771 -1.825 1.00 0.47 H new ATOM 0 HD23 LEU A 675 10.610 -8.323 -2.253 1.00 0.47 H new ATOM 812 N PHE A 676 12.869 -4.922 1.369 1.00 0.30 N ATOM 813 CA PHE A 676 13.258 -3.735 2.111 1.00 0.37 C ATOM 814 C PHE A 676 14.604 -3.928 2.810 1.00 0.42 C ATOM 815 O PHE A 676 15.554 -3.192 2.551 1.00 0.46 O ATOM 816 CB PHE A 676 12.162 -3.385 3.123 1.00 0.44 C ATOM 817 CG PHE A 676 12.390 -2.100 3.866 1.00 0.56 C ATOM 818 CD1 PHE A 676 12.459 -2.085 5.249 1.00 0.68 C ATOM 819 CD2 PHE A 676 12.559 -0.911 3.177 1.00 0.69 C ATOM 820 CE1 PHE A 676 12.689 -0.906 5.928 1.00 0.78 C ATOM 821 CE2 PHE A 676 12.786 0.270 3.852 1.00 0.82 C ATOM 822 CZ PHE A 676 12.768 0.276 5.248 1.00 0.82 C ATOM 0 H PHE A 676 12.143 -5.479 1.820 1.00 0.30 H new ATOM 0 HA PHE A 676 13.377 -2.909 1.410 1.00 0.37 H new ATOM 0 HB2 PHE A 676 11.208 -3.323 2.600 1.00 0.44 H new ATOM 0 HB3 PHE A 676 12.078 -4.198 3.845 1.00 0.44 H new ATOM 0 HD1 PHE A 676 12.332 -3.004 5.801 1.00 0.68 H new ATOM 0 HD2 PHE A 676 12.512 -0.908 2.098 1.00 0.69 H new ATOM 0 HE1 PHE A 676 12.807 -0.918 7.001 1.00 0.78 H new ATOM 0 HE2 PHE A 676 12.976 1.182 3.306 1.00 0.82 H new ATOM 0 HZ PHE A 676 12.816 1.210 5.787 1.00 0.82 H new ATOM 832 N THR A 677 14.692 -4.924 3.682 1.00 0.47 N ATOM 833 CA THR A 677 15.907 -5.138 4.457 1.00 0.57 C ATOM 834 C THR A 677 16.601 -6.446 4.092 1.00 0.65 C ATOM 835 O THR A 677 17.555 -6.858 4.753 1.00 0.89 O ATOM 836 CB THR A 677 15.596 -5.140 5.962 1.00 0.77 C ATOM 837 OG1 THR A 677 14.436 -5.945 6.217 1.00 1.45 O ATOM 838 CG2 THR A 677 15.368 -3.728 6.468 1.00 0.97 C ATOM 0 H THR A 677 13.944 -5.591 3.869 1.00 0.47 H new ATOM 0 HA THR A 677 16.579 -4.314 4.216 1.00 0.57 H new ATOM 0 HB THR A 677 16.451 -5.560 6.491 1.00 0.77 H new ATOM 0 HG1 THR A 677 14.242 -5.945 7.178 1.00 1.45 H new ATOM 0 HG21 THR A 677 15.150 -3.755 7.536 1.00 0.97 H new ATOM 0 HG22 THR A 677 16.263 -3.131 6.296 1.00 0.97 H new ATOM 0 HG23 THR A 677 14.527 -3.282 5.937 1.00 0.97 H new ATOM 846 N GLY A 678 16.126 -7.091 3.038 1.00 0.61 N ATOM 847 CA GLY A 678 16.692 -8.366 2.648 1.00 0.76 C ATOM 848 C GLY A 678 16.134 -9.499 3.483 1.00 1.01 C ATOM 849 O GLY A 678 16.706 -9.862 4.512 1.00 1.40 O ATOM 0 H GLY A 678 15.363 -6.758 2.448 1.00 0.61 H new ATOM 0 HA2 GLY A 678 16.482 -8.551 1.595 1.00 0.76 H new ATOM 0 HA3 GLY A 678 17.776 -8.332 2.756 1.00 0.76 H new ATOM 853 N GLY A 679 15.010 -10.047 3.050 1.00 1.33 N ATOM 854 CA GLY A 679 14.349 -11.099 3.797 1.00 1.95 C ATOM 855 C GLY A 679 14.947 -12.467 3.550 1.00 1.80 C ATOM 856 O GLY A 679 14.225 -13.411 3.229 1.00 2.07 O ATOM 0 H GLY A 679 14.539 -9.780 2.186 1.00 1.33 H new ATOM 0 HA2 GLY A 679 14.405 -10.871 4.861 1.00 1.95 H new ATOM 0 HA3 GLY A 679 13.292 -11.117 3.530 1.00 1.95 H new ATOM 860 N TYR A 680 16.269 -12.561 3.688 1.00 1.93 N ATOM 861 CA TYR A 680 16.988 -13.829 3.556 1.00 2.05 C ATOM 862 C TYR A 680 16.666 -14.519 2.232 1.00 1.75 C ATOM 863 O TYR A 680 16.020 -15.568 2.203 1.00 2.00 O ATOM 864 CB TYR A 680 16.662 -14.751 4.739 1.00 2.63 C ATOM 865 CG TYR A 680 17.288 -14.306 6.044 1.00 3.13 C ATOM 866 CD1 TYR A 680 18.258 -15.081 6.662 1.00 3.63 C ATOM 867 CD2 TYR A 680 16.920 -13.109 6.652 1.00 3.37 C ATOM 868 CE1 TYR A 680 18.843 -14.682 7.846 1.00 4.26 C ATOM 869 CE2 TYR A 680 17.502 -12.704 7.838 1.00 3.94 C ATOM 870 CZ TYR A 680 18.462 -13.495 8.430 1.00 4.36 C ATOM 871 OH TYR A 680 19.051 -13.093 9.607 1.00 5.05 O ATOM 0 H TYR A 680 16.871 -11.764 3.894 1.00 1.93 H new ATOM 0 HA TYR A 680 18.056 -13.612 3.563 1.00 2.05 H new ATOM 0 HB2 TYR A 680 15.580 -14.801 4.863 1.00 2.63 H new ATOM 0 HB3 TYR A 680 17.003 -15.760 4.507 1.00 2.63 H new ATOM 0 HD1 TYR A 680 18.561 -16.013 6.208 1.00 3.63 H new ATOM 0 HD2 TYR A 680 16.168 -12.487 6.189 1.00 3.37 H new ATOM 0 HE1 TYR A 680 19.597 -15.298 8.313 1.00 4.26 H new ATOM 0 HE2 TYR A 680 17.206 -11.773 8.298 1.00 3.94 H new ATOM 0 HH TYR A 680 18.671 -12.234 9.886 1.00 5.05 H new ATOM 881 N GLY A 681 17.116 -13.920 1.141 1.00 1.41 N ATOM 882 CA GLY A 681 16.874 -14.487 -0.169 1.00 1.29 C ATOM 883 C GLY A 681 16.512 -13.434 -1.190 1.00 1.11 C ATOM 884 O GLY A 681 16.705 -13.626 -2.389 1.00 1.20 O ATOM 0 H GLY A 681 17.646 -13.049 1.139 1.00 1.41 H new ATOM 0 HA2 GLY A 681 17.764 -15.022 -0.501 1.00 1.29 H new ATOM 0 HA3 GLY A 681 16.069 -15.218 -0.103 1.00 1.29 H new ATOM 888 N LEU A 682 15.983 -12.316 -0.716 1.00 0.95 N ATOM 889 CA LEU A 682 15.590 -11.230 -1.596 1.00 0.84 C ATOM 890 C LEU A 682 16.607 -10.097 -1.516 1.00 0.76 C ATOM 891 O LEU A 682 16.993 -9.674 -0.423 1.00 0.82 O ATOM 892 CB LEU A 682 14.191 -10.707 -1.238 1.00 0.88 C ATOM 893 CG LEU A 682 12.999 -11.619 -1.589 1.00 1.02 C ATOM 894 CD1 LEU A 682 13.011 -11.995 -3.063 1.00 1.10 C ATOM 895 CD2 LEU A 682 12.977 -12.870 -0.720 1.00 1.38 C ATOM 0 H LEU A 682 15.817 -12.139 0.275 1.00 0.95 H new ATOM 0 HA LEU A 682 15.559 -11.614 -2.616 1.00 0.84 H new ATOM 0 HB2 LEU A 682 14.165 -10.511 -0.166 1.00 0.88 H new ATOM 0 HB3 LEU A 682 14.047 -9.750 -1.740 1.00 0.88 H new ATOM 0 HG LEU A 682 12.089 -11.054 -1.386 1.00 1.02 H new ATOM 0 HD11 LEU A 682 12.159 -12.639 -3.281 1.00 1.10 H new ATOM 0 HD12 LEU A 682 12.948 -11.091 -3.669 1.00 1.10 H new ATOM 0 HD13 LEU A 682 13.935 -12.525 -3.296 1.00 1.10 H new ATOM 0 HD21 LEU A 682 12.123 -13.489 -0.995 1.00 1.38 H new ATOM 0 HD22 LEU A 682 13.898 -13.434 -0.870 1.00 1.38 H new ATOM 0 HD23 LEU A 682 12.894 -12.583 0.328 1.00 1.38 H new ATOM 907 N GLU A 683 17.043 -9.627 -2.674 1.00 0.78 N ATOM 908 CA GLU A 683 18.012 -8.544 -2.761 1.00 0.79 C ATOM 909 C GLU A 683 17.409 -7.248 -2.233 1.00 0.68 C ATOM 910 O GLU A 683 16.456 -6.727 -2.809 1.00 0.78 O ATOM 911 CB GLU A 683 18.452 -8.368 -4.218 1.00 0.99 C ATOM 912 CG GLU A 683 19.455 -7.250 -4.442 1.00 1.48 C ATOM 913 CD GLU A 683 19.847 -7.117 -5.898 1.00 2.22 C ATOM 914 OE1 GLU A 683 20.814 -7.779 -6.326 1.00 2.83 O ATOM 915 OE2 GLU A 683 19.197 -6.340 -6.627 1.00 2.76 O ATOM 0 H GLU A 683 16.736 -9.984 -3.579 1.00 0.78 H new ATOM 0 HA GLU A 683 18.880 -8.792 -2.150 1.00 0.79 H new ATOM 0 HB2 GLU A 683 18.886 -9.304 -4.569 1.00 0.99 H new ATOM 0 HB3 GLU A 683 17.571 -8.176 -4.830 1.00 0.99 H new ATOM 0 HG2 GLU A 683 19.030 -6.308 -4.094 1.00 1.48 H new ATOM 0 HG3 GLU A 683 20.346 -7.438 -3.843 1.00 1.48 H new ATOM 922 N LYS A 684 17.954 -6.742 -1.130 1.00 0.64 N ATOM 923 CA LYS A 684 17.449 -5.507 -0.540 1.00 0.59 C ATOM 924 C LYS A 684 17.521 -4.370 -1.551 1.00 0.52 C ATOM 925 O LYS A 684 18.588 -4.057 -2.087 1.00 0.69 O ATOM 926 CB LYS A 684 18.203 -5.132 0.748 1.00 0.70 C ATOM 927 CG LYS A 684 19.691 -4.871 0.558 1.00 0.85 C ATOM 928 CD LYS A 684 20.348 -4.386 1.842 1.00 0.94 C ATOM 929 CE LYS A 684 20.053 -2.916 2.118 1.00 1.09 C ATOM 930 NZ LYS A 684 20.689 -2.020 1.113 1.00 1.72 N ATOM 0 H LYS A 684 18.738 -7.163 -0.631 1.00 0.64 H new ATOM 0 HA LYS A 684 16.407 -5.676 -0.267 1.00 0.59 H new ATOM 0 HB2 LYS A 684 17.743 -4.241 1.176 1.00 0.70 H new ATOM 0 HB3 LYS A 684 18.078 -5.936 1.474 1.00 0.70 H new ATOM 0 HG2 LYS A 684 20.180 -5.785 0.222 1.00 0.85 H new ATOM 0 HG3 LYS A 684 19.832 -4.127 -0.226 1.00 0.85 H new ATOM 0 HD2 LYS A 684 19.996 -4.989 2.679 1.00 0.94 H new ATOM 0 HD3 LYS A 684 21.426 -4.532 1.775 1.00 0.94 H new ATOM 0 HE2 LYS A 684 18.975 -2.756 2.115 1.00 1.09 H new ATOM 0 HE3 LYS A 684 20.411 -2.655 3.114 1.00 1.09 H new ATOM 0 HZ1 LYS A 684 20.822 -1.075 1.526 1.00 1.72 H new ATOM 0 HZ2 LYS A 684 21.612 -2.410 0.835 1.00 1.72 H new ATOM 0 HZ3 LYS A 684 20.077 -1.949 0.275 1.00 1.72 H new ATOM 944 N ASP A 685 16.373 -3.785 -1.826 1.00 0.36 N ATOM 945 CA ASP A 685 16.265 -2.699 -2.782 1.00 0.32 C ATOM 946 C ASP A 685 15.062 -1.828 -2.435 1.00 0.27 C ATOM 947 O ASP A 685 13.926 -2.168 -2.773 1.00 0.26 O ATOM 948 CB ASP A 685 16.127 -3.249 -4.206 1.00 0.35 C ATOM 949 CG ASP A 685 16.114 -2.147 -5.245 1.00 0.95 C ATOM 950 OD1 ASP A 685 17.181 -1.566 -5.515 1.00 1.09 O ATOM 951 OD2 ASP A 685 15.032 -1.860 -5.799 1.00 1.68 O ATOM 0 H ASP A 685 15.488 -4.048 -1.393 1.00 0.36 H new ATOM 0 HA ASP A 685 17.171 -2.095 -2.734 1.00 0.32 H new ATOM 0 HB2 ASP A 685 16.952 -3.931 -4.412 1.00 0.35 H new ATOM 0 HB3 ASP A 685 15.207 -3.829 -4.282 1.00 0.35 H new ATOM 956 N PRO A 686 15.294 -0.709 -1.722 1.00 0.29 N ATOM 957 CA PRO A 686 14.228 0.220 -1.313 1.00 0.29 C ATOM 958 C PRO A 686 13.335 0.665 -2.472 1.00 0.25 C ATOM 959 O PRO A 686 12.152 0.953 -2.278 1.00 0.25 O ATOM 960 CB PRO A 686 15.002 1.412 -0.745 1.00 0.37 C ATOM 961 CG PRO A 686 16.275 0.824 -0.252 1.00 0.42 C ATOM 962 CD PRO A 686 16.617 -0.274 -1.227 1.00 0.37 C ATOM 0 HA PRO A 686 13.541 -0.246 -0.607 1.00 0.29 H new ATOM 0 HB2 PRO A 686 15.183 2.169 -1.508 1.00 0.37 H new ATOM 0 HB3 PRO A 686 14.450 1.897 0.060 1.00 0.37 H new ATOM 0 HG2 PRO A 686 17.065 1.574 -0.213 1.00 0.42 H new ATOM 0 HG3 PRO A 686 16.160 0.430 0.758 1.00 0.42 H new ATOM 0 HD2 PRO A 686 17.251 0.089 -2.036 1.00 0.37 H new ATOM 0 HD3 PRO A 686 17.154 -1.090 -0.743 1.00 0.37 H new ATOM 970 N GLN A 687 13.895 0.697 -3.678 1.00 0.25 N ATOM 971 CA GLN A 687 13.136 1.098 -4.855 1.00 0.27 C ATOM 972 C GLN A 687 12.063 0.060 -5.165 1.00 0.23 C ATOM 973 O GLN A 687 10.883 0.395 -5.300 1.00 0.24 O ATOM 974 CB GLN A 687 14.058 1.284 -6.063 1.00 0.35 C ATOM 975 CG GLN A 687 13.333 1.769 -7.311 1.00 0.65 C ATOM 976 CD GLN A 687 12.712 3.147 -7.136 1.00 1.23 C ATOM 977 OE1 GLN A 687 13.241 3.993 -6.415 1.00 2.21 O ATOM 978 NE2 GLN A 687 11.572 3.370 -7.776 1.00 1.23 N ATOM 0 H GLN A 687 14.867 0.451 -3.864 1.00 0.25 H new ATOM 0 HA GLN A 687 12.656 2.053 -4.644 1.00 0.27 H new ATOM 0 HB2 GLN A 687 14.840 1.998 -5.806 1.00 0.35 H new ATOM 0 HB3 GLN A 687 14.551 0.337 -6.283 1.00 0.35 H new ATOM 0 HG2 GLN A 687 14.034 1.795 -8.145 1.00 0.65 H new ATOM 0 HG3 GLN A 687 12.552 1.055 -7.573 1.00 0.65 H new ATOM 0 HE21 GLN A 687 11.167 2.642 -8.364 1.00 1.23 H new ATOM 0 HE22 GLN A 687 11.101 4.270 -7.680 1.00 1.23 H new ATOM 987 N ARG A 688 12.468 -1.205 -5.242 1.00 0.22 N ATOM 988 CA ARG A 688 11.540 -2.287 -5.521 1.00 0.23 C ATOM 989 C ARG A 688 10.614 -2.489 -4.331 1.00 0.18 C ATOM 990 O ARG A 688 9.454 -2.864 -4.493 1.00 0.20 O ATOM 991 CB ARG A 688 12.295 -3.584 -5.824 1.00 0.29 C ATOM 992 CG ARG A 688 11.409 -4.703 -6.349 1.00 0.70 C ATOM 993 CD ARG A 688 12.213 -5.953 -6.665 1.00 0.78 C ATOM 994 NE ARG A 688 13.276 -5.690 -7.634 1.00 1.67 N ATOM 995 CZ ARG A 688 14.427 -6.363 -7.685 1.00 2.16 C ATOM 996 NH1 ARG A 688 14.658 -7.365 -6.843 1.00 1.85 N ATOM 997 NH2 ARG A 688 15.344 -6.041 -8.587 1.00 3.24 N ATOM 0 H ARG A 688 13.435 -1.502 -5.114 1.00 0.22 H new ATOM 0 HA ARG A 688 10.949 -2.022 -6.398 1.00 0.23 H new ATOM 0 HB2 ARG A 688 13.075 -3.377 -6.557 1.00 0.29 H new ATOM 0 HB3 ARG A 688 12.793 -3.924 -4.916 1.00 0.29 H new ATOM 0 HG2 ARG A 688 10.644 -4.939 -5.609 1.00 0.70 H new ATOM 0 HG3 ARG A 688 10.891 -4.366 -7.247 1.00 0.70 H new ATOM 0 HD2 ARG A 688 12.649 -6.346 -5.746 1.00 0.78 H new ATOM 0 HD3 ARG A 688 11.548 -6.723 -7.056 1.00 0.78 H new ATOM 0 HE ARG A 688 13.128 -4.945 -8.314 1.00 1.67 H new ATOM 0 HH11 ARG A 688 13.953 -7.624 -6.152 1.00 1.85 H new ATOM 0 HH12 ARG A 688 15.540 -7.875 -6.887 1.00 1.85 H new ATOM 0 HH21 ARG A 688 15.170 -5.279 -9.242 1.00 3.24 H new ATOM 0 HH22 ARG A 688 16.224 -6.556 -8.626 1.00 3.24 H new ATOM 1011 N SER A 689 11.138 -2.240 -3.137 1.00 0.16 N ATOM 1012 CA SER A 689 10.336 -2.291 -1.926 1.00 0.17 C ATOM 1013 C SER A 689 9.122 -1.376 -2.061 1.00 0.15 C ATOM 1014 O SER A 689 7.986 -1.806 -1.838 1.00 0.16 O ATOM 1015 CB SER A 689 11.172 -1.890 -0.709 1.00 0.21 C ATOM 1016 OG SER A 689 10.473 -2.138 0.498 1.00 1.11 O ATOM 0 H SER A 689 12.118 -2.000 -2.984 1.00 0.16 H new ATOM 0 HA SER A 689 9.990 -3.315 -1.782 1.00 0.17 H new ATOM 0 HB2 SER A 689 12.110 -2.446 -0.710 1.00 0.21 H new ATOM 0 HB3 SER A 689 11.428 -0.832 -0.773 1.00 0.21 H new ATOM 0 HG SER A 689 10.340 -3.103 0.607 1.00 1.11 H new ATOM 1022 N GLY A 690 9.348 -0.127 -2.470 1.00 0.16 N ATOM 1023 CA GLY A 690 8.248 0.797 -2.640 1.00 0.18 C ATOM 1024 C GLY A 690 7.404 0.446 -3.843 1.00 0.17 C ATOM 1025 O GLY A 690 6.200 0.702 -3.868 1.00 0.19 O ATOM 0 H GLY A 690 10.269 0.255 -2.684 1.00 0.16 H new ATOM 0 HA2 GLY A 690 7.626 0.791 -1.745 1.00 0.18 H new ATOM 0 HA3 GLY A 690 8.637 1.809 -2.751 1.00 0.18 H new ATOM 1029 N ASP A 691 8.038 -0.157 -4.838 1.00 0.17 N ATOM 1030 CA ASP A 691 7.342 -0.577 -6.048 1.00 0.20 C ATOM 1031 C ASP A 691 6.326 -1.667 -5.709 1.00 0.18 C ATOM 1032 O ASP A 691 5.208 -1.682 -6.225 1.00 0.22 O ATOM 1033 CB ASP A 691 8.346 -1.090 -7.085 1.00 0.26 C ATOM 1034 CG ASP A 691 7.762 -1.167 -8.477 1.00 0.82 C ATOM 1035 OD1 ASP A 691 7.712 -0.132 -9.169 1.00 0.84 O ATOM 1036 OD2 ASP A 691 7.333 -2.267 -8.883 1.00 1.54 O ATOM 0 H ASP A 691 9.036 -0.367 -4.832 1.00 0.17 H new ATOM 0 HA ASP A 691 6.815 0.279 -6.470 1.00 0.20 H new ATOM 0 HB2 ASP A 691 9.216 -0.434 -7.097 1.00 0.26 H new ATOM 0 HB3 ASP A 691 8.696 -2.079 -6.787 1.00 0.26 H new ATOM 1041 N LEU A 692 6.713 -2.564 -4.812 1.00 0.16 N ATOM 1042 CA LEU A 692 5.825 -3.627 -4.363 1.00 0.16 C ATOM 1043 C LEU A 692 4.791 -3.097 -3.377 1.00 0.15 C ATOM 1044 O LEU A 692 3.647 -3.540 -3.382 1.00 0.16 O ATOM 1045 CB LEU A 692 6.616 -4.774 -3.727 1.00 0.20 C ATOM 1046 CG LEU A 692 6.985 -5.930 -4.657 1.00 0.48 C ATOM 1047 CD1 LEU A 692 5.739 -6.695 -5.064 1.00 1.35 C ATOM 1048 CD2 LEU A 692 7.730 -5.431 -5.885 1.00 0.73 C ATOM 0 H LEU A 692 7.637 -2.576 -4.381 1.00 0.16 H new ATOM 0 HA LEU A 692 5.304 -4.010 -5.240 1.00 0.16 H new ATOM 0 HB2 LEU A 692 7.534 -4.366 -3.305 1.00 0.20 H new ATOM 0 HB3 LEU A 692 6.034 -5.174 -2.896 1.00 0.20 H new ATOM 0 HG LEU A 692 7.649 -6.603 -4.115 1.00 0.48 H new ATOM 0 HD11 LEU A 692 6.016 -7.515 -5.726 1.00 1.35 H new ATOM 0 HD12 LEU A 692 5.251 -7.095 -4.175 1.00 1.35 H new ATOM 0 HD13 LEU A 692 5.054 -6.025 -5.583 1.00 1.35 H new ATOM 0 HD21 LEU A 692 7.979 -6.275 -6.528 1.00 0.73 H new ATOM 0 HD22 LEU A 692 7.100 -4.731 -6.434 1.00 0.73 H new ATOM 0 HD23 LEU A 692 8.646 -4.928 -5.575 1.00 0.73 H new ATOM 1060 N TYR A 693 5.188 -2.140 -2.541 1.00 0.15 N ATOM 1061 CA TYR A 693 4.257 -1.542 -1.584 1.00 0.17 C ATOM 1062 C TYR A 693 3.168 -0.754 -2.299 1.00 0.18 C ATOM 1063 O TYR A 693 2.013 -0.760 -1.882 1.00 0.20 O ATOM 1064 CB TYR A 693 4.979 -0.647 -0.570 1.00 0.21 C ATOM 1065 CG TYR A 693 5.445 -1.399 0.655 1.00 0.48 C ATOM 1066 CD1 TYR A 693 4.540 -2.109 1.434 1.00 0.59 C ATOM 1067 CD2 TYR A 693 6.781 -1.405 1.034 1.00 0.69 C ATOM 1068 CE1 TYR A 693 4.952 -2.806 2.551 1.00 0.86 C ATOM 1069 CE2 TYR A 693 7.201 -2.099 2.150 1.00 0.96 C ATOM 1070 CZ TYR A 693 6.283 -2.800 2.904 1.00 1.05 C ATOM 1071 OH TYR A 693 6.698 -3.501 4.011 1.00 1.33 O ATOM 0 H TYR A 693 6.136 -1.765 -2.505 1.00 0.15 H new ATOM 0 HA TYR A 693 3.793 -2.362 -1.036 1.00 0.17 H new ATOM 0 HB2 TYR A 693 5.838 -0.181 -1.052 1.00 0.21 H new ATOM 0 HB3 TYR A 693 4.311 0.158 -0.263 1.00 0.21 H new ATOM 0 HD1 TYR A 693 3.495 -2.115 1.160 1.00 0.59 H new ATOM 0 HD2 TYR A 693 7.503 -0.858 0.446 1.00 0.69 H new ATOM 0 HE1 TYR A 693 4.235 -3.353 3.145 1.00 0.86 H new ATOM 0 HE2 TYR A 693 8.244 -2.093 2.432 1.00 0.96 H new ATOM 0 HH TYR A 693 7.666 -3.395 4.122 1.00 1.33 H new ATOM 1081 N THR A 694 3.532 -0.099 -3.391 1.00 0.19 N ATOM 1082 CA THR A 694 2.562 0.658 -4.166 1.00 0.22 C ATOM 1083 C THR A 694 1.628 -0.290 -4.914 1.00 0.20 C ATOM 1084 O THR A 694 0.424 -0.043 -5.014 1.00 0.21 O ATOM 1085 CB THR A 694 3.250 1.625 -5.150 1.00 0.26 C ATOM 1086 OG1 THR A 694 4.291 0.947 -5.860 1.00 0.27 O ATOM 1087 CG2 THR A 694 3.832 2.822 -4.415 1.00 0.31 C ATOM 0 H THR A 694 4.483 -0.076 -3.758 1.00 0.19 H new ATOM 0 HA THR A 694 1.976 1.259 -3.471 1.00 0.22 H new ATOM 0 HB THR A 694 2.500 1.980 -5.857 1.00 0.26 H new ATOM 0 HG1 THR A 694 5.095 0.906 -5.301 1.00 0.27 H new ATOM 0 HG21 THR A 694 4.312 3.490 -5.130 1.00 0.31 H new ATOM 0 HG22 THR A 694 3.034 3.356 -3.899 1.00 0.31 H new ATOM 0 HG23 THR A 694 4.568 2.480 -3.688 1.00 0.31 H new ATOM 1095 N GLN A 695 2.182 -1.400 -5.398 1.00 0.19 N ATOM 1096 CA GLN A 695 1.375 -2.428 -6.041 1.00 0.20 C ATOM 1097 C GLN A 695 0.446 -3.075 -5.022 1.00 0.17 C ATOM 1098 O GLN A 695 -0.736 -3.309 -5.297 1.00 0.18 O ATOM 1099 CB GLN A 695 2.262 -3.491 -6.688 1.00 0.25 C ATOM 1100 CG GLN A 695 2.960 -3.022 -7.952 1.00 0.85 C ATOM 1101 CD GLN A 695 3.807 -4.112 -8.578 1.00 1.44 C ATOM 1102 OE1 GLN A 695 3.315 -4.902 -9.382 1.00 2.09 O ATOM 1103 NE2 GLN A 695 5.085 -4.155 -8.226 1.00 2.13 N ATOM 0 H GLN A 695 3.180 -1.607 -5.356 1.00 0.19 H new ATOM 0 HA GLN A 695 0.779 -1.957 -6.822 1.00 0.20 H new ATOM 0 HB2 GLN A 695 3.014 -3.811 -5.967 1.00 0.25 H new ATOM 0 HB3 GLN A 695 1.654 -4.364 -6.923 1.00 0.25 H new ATOM 0 HG2 GLN A 695 2.215 -2.685 -8.672 1.00 0.85 H new ATOM 0 HG3 GLN A 695 3.590 -2.163 -7.720 1.00 0.85 H new ATOM 0 HE21 GLN A 695 5.452 -3.480 -7.555 1.00 2.13 H new ATOM 0 HE22 GLN A 695 5.701 -4.863 -8.626 1.00 2.13 H new ATOM 1112 N ALA A 696 0.987 -3.353 -3.839 1.00 0.16 N ATOM 1113 CA ALA A 696 0.207 -3.911 -2.748 1.00 0.16 C ATOM 1114 C ALA A 696 -0.908 -2.963 -2.345 1.00 0.16 C ATOM 1115 O ALA A 696 -2.020 -3.396 -2.051 1.00 0.16 O ATOM 1116 CB ALA A 696 1.098 -4.214 -1.552 1.00 0.18 C ATOM 0 H ALA A 696 1.970 -3.198 -3.615 1.00 0.16 H new ATOM 0 HA ALA A 696 -0.240 -4.843 -3.094 1.00 0.16 H new ATOM 0 HB1 ALA A 696 0.495 -4.631 -0.745 1.00 0.18 H new ATOM 0 HB2 ALA A 696 1.864 -4.933 -1.842 1.00 0.18 H new ATOM 0 HB3 ALA A 696 1.574 -3.295 -1.211 1.00 0.18 H new ATOM 1122 N ALA A 697 -0.617 -1.667 -2.351 1.00 0.16 N ATOM 1123 CA ALA A 697 -1.609 -0.666 -2.006 1.00 0.17 C ATOM 1124 C ALA A 697 -2.717 -0.625 -3.042 1.00 0.16 C ATOM 1125 O ALA A 697 -3.884 -0.425 -2.708 1.00 0.16 O ATOM 1126 CB ALA A 697 -0.957 0.700 -1.881 1.00 0.20 C ATOM 0 H ALA A 697 0.299 -1.289 -2.592 1.00 0.16 H new ATOM 0 HA ALA A 697 -2.048 -0.937 -1.046 1.00 0.17 H new ATOM 0 HB1 ALA A 697 -1.713 1.442 -1.622 1.00 0.20 H new ATOM 0 HB2 ALA A 697 -0.196 0.670 -1.101 1.00 0.20 H new ATOM 0 HB3 ALA A 697 -0.494 0.970 -2.830 1.00 0.20 H new ATOM 1132 N GLU A 698 -2.350 -0.823 -4.303 1.00 0.17 N ATOM 1133 CA GLU A 698 -3.328 -0.885 -5.372 1.00 0.20 C ATOM 1134 C GLU A 698 -4.268 -2.068 -5.156 1.00 0.18 C ATOM 1135 O GLU A 698 -5.484 -1.956 -5.341 1.00 0.20 O ATOM 1136 CB GLU A 698 -2.633 -0.992 -6.731 1.00 0.26 C ATOM 1137 CG GLU A 698 -3.593 -1.189 -7.891 1.00 1.02 C ATOM 1138 CD GLU A 698 -2.897 -1.169 -9.230 1.00 1.22 C ATOM 1139 OE1 GLU A 698 -2.391 -2.226 -9.654 1.00 1.84 O ATOM 1140 OE2 GLU A 698 -2.861 -0.095 -9.865 1.00 1.40 O ATOM 0 H GLU A 698 -1.383 -0.943 -4.605 1.00 0.17 H new ATOM 0 HA GLU A 698 -3.915 0.033 -5.361 1.00 0.20 H new ATOM 0 HB2 GLU A 698 -2.049 -0.088 -6.903 1.00 0.26 H new ATOM 0 HB3 GLU A 698 -1.931 -1.825 -6.706 1.00 0.26 H new ATOM 0 HG2 GLU A 698 -4.113 -2.139 -7.770 1.00 1.02 H new ATOM 0 HG3 GLU A 698 -4.351 -0.406 -7.868 1.00 1.02 H new ATOM 1147 N ALA A 699 -3.701 -3.189 -4.731 1.00 0.17 N ATOM 1148 CA ALA A 699 -4.486 -4.381 -4.450 1.00 0.18 C ATOM 1149 C ALA A 699 -5.305 -4.195 -3.178 1.00 0.15 C ATOM 1150 O ALA A 699 -6.379 -4.775 -3.022 1.00 0.17 O ATOM 1151 CB ALA A 699 -3.571 -5.589 -4.330 1.00 0.21 C ATOM 0 H ALA A 699 -2.699 -3.297 -4.573 1.00 0.17 H new ATOM 0 HA ALA A 699 -5.178 -4.549 -5.275 1.00 0.18 H new ATOM 0 HB1 ALA A 699 -4.167 -6.477 -4.120 1.00 0.21 H new ATOM 0 HB2 ALA A 699 -3.029 -5.729 -5.265 1.00 0.21 H new ATOM 0 HB3 ALA A 699 -2.861 -5.428 -3.519 1.00 0.21 H new ATOM 1157 N ALA A 700 -4.789 -3.373 -2.276 1.00 0.13 N ATOM 1158 CA ALA A 700 -5.478 -3.069 -1.034 1.00 0.13 C ATOM 1159 C ALA A 700 -6.685 -2.183 -1.300 1.00 0.13 C ATOM 1160 O ALA A 700 -7.785 -2.467 -0.833 1.00 0.16 O ATOM 1161 CB ALA A 700 -4.533 -2.408 -0.043 1.00 0.14 C ATOM 0 H ALA A 700 -3.890 -2.903 -2.384 1.00 0.13 H new ATOM 0 HA ALA A 700 -5.828 -4.004 -0.596 1.00 0.13 H new ATOM 0 HB1 ALA A 700 -5.069 -2.189 0.880 1.00 0.14 H new ATOM 0 HB2 ALA A 700 -3.702 -3.080 0.171 1.00 0.14 H new ATOM 0 HB3 ALA A 700 -4.150 -1.481 -0.469 1.00 0.14 H new ATOM 1167 N MET A 701 -6.486 -1.120 -2.070 1.00 0.15 N ATOM 1168 CA MET A 701 -7.578 -0.211 -2.392 1.00 0.20 C ATOM 1169 C MET A 701 -8.614 -0.907 -3.268 1.00 0.23 C ATOM 1170 O MET A 701 -9.795 -0.567 -3.229 1.00 0.28 O ATOM 1171 CB MET A 701 -7.068 1.065 -3.074 1.00 0.27 C ATOM 1172 CG MET A 701 -6.525 0.863 -4.479 1.00 0.44 C ATOM 1173 SD MET A 701 -6.008 2.412 -5.247 1.00 0.74 S ATOM 1174 CE MET A 701 -5.534 1.844 -6.878 1.00 0.76 C ATOM 0 H MET A 701 -5.587 -0.868 -2.480 1.00 0.15 H new ATOM 0 HA MET A 701 -8.051 0.081 -1.454 1.00 0.20 H new ATOM 0 HB2 MET A 701 -7.882 1.789 -3.115 1.00 0.27 H new ATOM 0 HB3 MET A 701 -6.284 1.502 -2.456 1.00 0.27 H new ATOM 0 HG2 MET A 701 -5.678 0.178 -4.443 1.00 0.44 H new ATOM 0 HG3 MET A 701 -7.290 0.392 -5.097 1.00 0.44 H new ATOM 0 HE1 MET A 701 -5.850 2.574 -7.623 1.00 0.76 H new ATOM 0 HE2 MET A 701 -4.451 1.726 -6.922 1.00 0.76 H new ATOM 0 HE3 MET A 701 -6.012 0.886 -7.083 1.00 0.76 H new ATOM 1184 N GLU A 702 -8.172 -1.899 -4.041 1.00 0.24 N ATOM 1185 CA GLU A 702 -9.087 -2.708 -4.836 1.00 0.31 C ATOM 1186 C GLU A 702 -10.010 -3.499 -3.914 1.00 0.29 C ATOM 1187 O GLU A 702 -11.212 -3.621 -4.162 1.00 0.36 O ATOM 1188 CB GLU A 702 -8.308 -3.670 -5.738 1.00 0.42 C ATOM 1189 CG GLU A 702 -9.202 -4.535 -6.618 1.00 1.14 C ATOM 1190 CD GLU A 702 -8.451 -5.657 -7.304 1.00 1.75 C ATOM 1191 OE1 GLU A 702 -7.563 -5.361 -8.137 1.00 1.95 O ATOM 1192 OE2 GLU A 702 -8.745 -6.839 -7.023 1.00 2.58 O ATOM 0 H GLU A 702 -7.190 -2.159 -4.131 1.00 0.24 H new ATOM 0 HA GLU A 702 -9.682 -2.046 -5.464 1.00 0.31 H new ATOM 0 HB2 GLU A 702 -7.634 -3.095 -6.373 1.00 0.42 H new ATOM 0 HB3 GLU A 702 -7.688 -4.316 -5.117 1.00 0.42 H new ATOM 0 HG2 GLU A 702 -10.001 -4.959 -6.009 1.00 1.14 H new ATOM 0 HG3 GLU A 702 -9.676 -3.908 -7.373 1.00 1.14 H new ATOM 1199 N ALA A 703 -9.435 -4.008 -2.833 1.00 0.27 N ATOM 1200 CA ALA A 703 -10.160 -4.846 -1.892 1.00 0.32 C ATOM 1201 C ALA A 703 -10.782 -4.020 -0.768 1.00 0.33 C ATOM 1202 O ALA A 703 -11.028 -4.536 0.323 1.00 0.45 O ATOM 1203 CB ALA A 703 -9.228 -5.904 -1.318 1.00 0.39 C ATOM 0 H ALA A 703 -8.458 -3.852 -2.586 1.00 0.27 H new ATOM 0 HA ALA A 703 -10.973 -5.334 -2.430 1.00 0.32 H new ATOM 0 HB1 ALA A 703 -9.777 -6.529 -0.614 1.00 0.39 H new ATOM 0 HB2 ALA A 703 -8.839 -6.524 -2.126 1.00 0.39 H new ATOM 0 HB3 ALA A 703 -8.399 -5.418 -0.803 1.00 0.39 H new ATOM 1209 N MET A 704 -11.012 -2.733 -1.040 1.00 0.33 N ATOM 1210 CA MET A 704 -11.659 -1.827 -0.085 1.00 0.44 C ATOM 1211 C MET A 704 -10.881 -1.749 1.227 1.00 0.41 C ATOM 1212 O MET A 704 -11.460 -1.718 2.311 1.00 0.58 O ATOM 1213 CB MET A 704 -13.105 -2.262 0.190 1.00 0.61 C ATOM 1214 CG MET A 704 -14.011 -2.217 -1.032 1.00 1.01 C ATOM 1215 SD MET A 704 -15.728 -2.614 -0.642 1.00 2.03 S ATOM 1216 CE MET A 704 -16.136 -1.282 0.485 1.00 2.61 C ATOM 0 H MET A 704 -10.757 -2.291 -1.923 1.00 0.33 H new ATOM 0 HA MET A 704 -11.669 -0.835 -0.537 1.00 0.44 H new ATOM 0 HB2 MET A 704 -13.098 -3.277 0.587 1.00 0.61 H new ATOM 0 HB3 MET A 704 -13.525 -1.620 0.964 1.00 0.61 H new ATOM 0 HG2 MET A 704 -13.964 -1.223 -1.477 1.00 1.01 H new ATOM 0 HG3 MET A 704 -13.641 -2.919 -1.779 1.00 1.01 H new ATOM 0 HE1 MET A 704 -17.208 -1.087 0.445 1.00 2.61 H new ATOM 0 HE2 MET A 704 -15.857 -1.566 1.500 1.00 2.61 H new ATOM 0 HE3 MET A 704 -15.592 -0.382 0.197 1.00 2.61 H new ATOM 1226 N LYS A 705 -9.565 -1.728 1.119 1.00 0.30 N ATOM 1227 CA LYS A 705 -8.698 -1.626 2.283 1.00 0.34 C ATOM 1228 C LYS A 705 -7.978 -0.277 2.271 1.00 0.31 C ATOM 1229 O LYS A 705 -6.755 -0.217 2.144 1.00 0.30 O ATOM 1230 CB LYS A 705 -7.682 -2.775 2.283 1.00 0.42 C ATOM 1231 CG LYS A 705 -8.311 -4.160 2.240 1.00 0.65 C ATOM 1232 CD LYS A 705 -9.020 -4.500 3.541 1.00 0.70 C ATOM 1233 CE LYS A 705 -9.644 -5.887 3.489 1.00 1.02 C ATOM 1234 NZ LYS A 705 -10.870 -5.926 2.643 1.00 1.59 N ATOM 0 H LYS A 705 -9.068 -1.781 0.230 1.00 0.30 H new ATOM 0 HA LYS A 705 -9.300 -1.697 3.189 1.00 0.34 H new ATOM 0 HB2 LYS A 705 -7.021 -2.661 1.424 1.00 0.42 H new ATOM 0 HB3 LYS A 705 -7.061 -2.697 3.176 1.00 0.42 H new ATOM 0 HG2 LYS A 705 -9.022 -4.211 1.415 1.00 0.65 H new ATOM 0 HG3 LYS A 705 -7.539 -4.904 2.042 1.00 0.65 H new ATOM 0 HD2 LYS A 705 -8.311 -4.449 4.367 1.00 0.70 H new ATOM 0 HD3 LYS A 705 -9.794 -3.759 3.740 1.00 0.70 H new ATOM 0 HE2 LYS A 705 -8.914 -6.597 3.099 1.00 1.02 H new ATOM 0 HE3 LYS A 705 -9.893 -6.209 4.500 1.00 1.02 H new ATOM 0 HZ1 LYS A 705 -11.277 -6.883 2.666 1.00 1.59 H new ATOM 0 HZ2 LYS A 705 -11.566 -5.244 3.008 1.00 1.59 H new ATOM 0 HZ3 LYS A 705 -10.624 -5.678 1.663 1.00 1.59 H new ATOM 1248 N GLY A 706 -8.757 0.794 2.406 1.00 0.40 N ATOM 1249 CA GLY A 706 -8.235 2.150 2.283 1.00 0.47 C ATOM 1250 C GLY A 706 -7.052 2.455 3.188 1.00 0.42 C ATOM 1251 O GLY A 706 -5.984 2.828 2.703 1.00 0.40 O ATOM 0 H GLY A 706 -9.757 0.746 2.602 1.00 0.40 H new ATOM 0 HA2 GLY A 706 -7.937 2.319 1.248 1.00 0.47 H new ATOM 0 HA3 GLY A 706 -9.036 2.856 2.503 1.00 0.47 H new ATOM 1255 N ARG A 707 -7.234 2.306 4.499 1.00 0.44 N ATOM 1256 CA ARG A 707 -6.165 2.608 5.458 1.00 0.47 C ATOM 1257 C ARG A 707 -4.923 1.764 5.177 1.00 0.38 C ATOM 1258 O ARG A 707 -3.795 2.230 5.332 1.00 0.38 O ATOM 1259 CB ARG A 707 -6.634 2.374 6.895 1.00 0.60 C ATOM 1260 CG ARG A 707 -5.643 2.857 7.943 1.00 0.72 C ATOM 1261 CD ARG A 707 -6.125 2.543 9.350 1.00 1.28 C ATOM 1262 NE ARG A 707 -6.198 1.104 9.595 1.00 2.07 N ATOM 1263 CZ ARG A 707 -6.979 0.540 10.515 1.00 2.91 C ATOM 1264 NH1 ARG A 707 -7.753 1.290 11.294 1.00 3.16 N ATOM 1265 NH2 ARG A 707 -6.980 -0.779 10.665 1.00 3.90 N ATOM 0 H ARG A 707 -8.103 1.981 4.922 1.00 0.44 H new ATOM 0 HA ARG A 707 -5.908 3.661 5.340 1.00 0.47 H new ATOM 0 HB2 ARG A 707 -7.586 2.883 7.045 1.00 0.60 H new ATOM 0 HB3 ARG A 707 -6.815 1.309 7.041 1.00 0.60 H new ATOM 0 HG2 ARG A 707 -4.675 2.385 7.775 1.00 0.72 H new ATOM 0 HG3 ARG A 707 -5.496 3.932 7.839 1.00 0.72 H new ATOM 0 HD2 ARG A 707 -5.451 3.000 10.075 1.00 1.28 H new ATOM 0 HD3 ARG A 707 -7.108 2.987 9.504 1.00 1.28 H new ATOM 0 HE ARG A 707 -5.614 0.492 9.025 1.00 2.07 H new ATOM 0 HH11 ARG A 707 -7.751 2.305 11.189 1.00 3.16 H new ATOM 0 HH12 ARG A 707 -8.348 0.851 11.996 1.00 3.16 H new ATOM 0 HH21 ARG A 707 -6.383 -1.360 10.076 1.00 3.90 H new ATOM 0 HH22 ARG A 707 -7.578 -1.212 11.369 1.00 3.90 H new ATOM 1279 N LEU A 708 -5.140 0.524 4.750 1.00 0.32 N ATOM 1280 CA LEU A 708 -4.041 -0.373 4.421 1.00 0.30 C ATOM 1281 C LEU A 708 -3.291 0.149 3.205 1.00 0.23 C ATOM 1282 O LEU A 708 -2.063 0.203 3.196 1.00 0.22 O ATOM 1283 CB LEU A 708 -4.547 -1.794 4.143 1.00 0.34 C ATOM 1284 CG LEU A 708 -5.049 -2.586 5.359 1.00 0.45 C ATOM 1285 CD1 LEU A 708 -6.361 -2.026 5.894 1.00 0.91 C ATOM 1286 CD2 LEU A 708 -5.207 -4.054 4.997 1.00 1.02 C ATOM 0 H LEU A 708 -6.068 0.119 4.624 1.00 0.32 H new ATOM 0 HA LEU A 708 -3.369 -0.410 5.278 1.00 0.30 H new ATOM 0 HB2 LEU A 708 -5.357 -1.733 3.416 1.00 0.34 H new ATOM 0 HB3 LEU A 708 -3.741 -2.359 3.675 1.00 0.34 H new ATOM 0 HG LEU A 708 -4.305 -2.490 6.150 1.00 0.45 H new ATOM 0 HD11 LEU A 708 -6.683 -2.613 6.754 1.00 0.91 H new ATOM 0 HD12 LEU A 708 -6.217 -0.989 6.196 1.00 0.91 H new ATOM 0 HD13 LEU A 708 -7.122 -2.075 5.115 1.00 0.91 H new ATOM 0 HD21 LEU A 708 -5.563 -4.607 5.866 1.00 1.02 H new ATOM 0 HD22 LEU A 708 -5.926 -4.153 4.184 1.00 1.02 H new ATOM 0 HD23 LEU A 708 -4.245 -4.456 4.681 1.00 1.02 H new ATOM 1298 N ALA A 709 -4.050 0.533 2.185 1.00 0.20 N ATOM 1299 CA ALA A 709 -3.485 1.120 0.982 1.00 0.18 C ATOM 1300 C ALA A 709 -2.669 2.360 1.326 1.00 0.19 C ATOM 1301 O ALA A 709 -1.527 2.502 0.885 1.00 0.19 O ATOM 1302 CB ALA A 709 -4.585 1.456 -0.012 1.00 0.21 C ATOM 0 H ALA A 709 -5.066 0.446 2.171 1.00 0.20 H new ATOM 0 HA ALA A 709 -2.819 0.391 0.520 1.00 0.18 H new ATOM 0 HB1 ALA A 709 -4.145 1.895 -0.907 1.00 0.21 H new ATOM 0 HB2 ALA A 709 -5.123 0.547 -0.280 1.00 0.21 H new ATOM 0 HB3 ALA A 709 -5.277 2.168 0.438 1.00 0.21 H new ATOM 1308 N ASN A 710 -3.252 3.239 2.136 1.00 0.25 N ATOM 1309 CA ASN A 710 -2.559 4.443 2.583 1.00 0.29 C ATOM 1310 C ASN A 710 -1.282 4.086 3.329 1.00 0.25 C ATOM 1311 O ASN A 710 -0.236 4.673 3.081 1.00 0.24 O ATOM 1312 CB ASN A 710 -3.461 5.298 3.478 1.00 0.38 C ATOM 1313 CG ASN A 710 -2.726 6.488 4.083 1.00 0.81 C ATOM 1314 OD1 ASN A 710 -2.625 7.547 3.466 1.00 1.60 O ATOM 1315 ND2 ASN A 710 -2.221 6.334 5.300 1.00 1.45 N ATOM 0 H ASN A 710 -4.201 3.140 2.496 1.00 0.25 H new ATOM 0 HA ASN A 710 -2.300 5.022 1.696 1.00 0.29 H new ATOM 0 HB2 ASN A 710 -4.309 5.657 2.896 1.00 0.38 H new ATOM 0 HB3 ASN A 710 -3.864 4.679 4.279 1.00 0.38 H new ATOM 0 HD21 ASN A 710 -1.732 7.107 5.751 1.00 1.45 H new ATOM 0 HD22 ASN A 710 -2.322 5.442 5.785 1.00 1.45 H new ATOM 1322 N GLN A 711 -1.375 3.124 4.242 1.00 0.25 N ATOM 1323 CA GLN A 711 -0.216 2.669 5.000 1.00 0.26 C ATOM 1324 C GLN A 711 0.888 2.178 4.067 1.00 0.22 C ATOM 1325 O GLN A 711 2.043 2.569 4.200 1.00 0.22 O ATOM 1326 CB GLN A 711 -0.621 1.548 5.959 1.00 0.32 C ATOM 1327 CG GLN A 711 0.510 1.069 6.854 1.00 1.24 C ATOM 1328 CD GLN A 711 0.120 -0.121 7.716 1.00 1.30 C ATOM 1329 OE1 GLN A 711 -0.764 -0.973 7.208 1.00 1.83 O flip ATOM 1330 NE2 GLN A 711 0.614 -0.279 8.831 1.00 1.09 N flip ATOM 0 H GLN A 711 -2.244 2.644 4.475 1.00 0.25 H new ATOM 0 HA GLN A 711 0.167 3.513 5.574 1.00 0.26 H new ATOM 0 HB2 GLN A 711 -1.444 1.896 6.584 1.00 0.32 H new ATOM 0 HB3 GLN A 711 -0.996 0.704 5.380 1.00 0.32 H new ATOM 0 HG2 GLN A 711 1.366 0.798 6.236 1.00 1.24 H new ATOM 0 HG3 GLN A 711 0.829 1.889 7.498 1.00 1.24 H new ATOM 0 HE21 GLN A 711 1.290 0.395 9.190 1.00 1.09 H new ATOM 0 HE22 GLN A 711 0.348 -1.084 9.397 1.00 1.09 H new ATOM 1339 N TYR A 712 0.531 1.300 3.142 1.00 0.20 N ATOM 1340 CA TYR A 712 1.500 0.773 2.186 1.00 0.20 C ATOM 1341 C TYR A 712 2.072 1.877 1.288 1.00 0.20 C ATOM 1342 O TYR A 712 3.238 1.817 0.901 1.00 0.21 O ATOM 1343 CB TYR A 712 0.890 -0.371 1.370 1.00 0.22 C ATOM 1344 CG TYR A 712 0.453 -1.548 2.230 1.00 0.24 C ATOM 1345 CD1 TYR A 712 0.992 -1.751 3.499 1.00 0.31 C ATOM 1346 CD2 TYR A 712 -0.499 -2.451 1.777 1.00 0.33 C ATOM 1347 CE1 TYR A 712 0.591 -2.812 4.287 1.00 0.36 C ATOM 1348 CE2 TYR A 712 -0.904 -3.517 2.560 1.00 0.38 C ATOM 1349 CZ TYR A 712 -0.357 -3.692 3.814 1.00 0.36 C ATOM 1350 OH TYR A 712 -0.760 -4.748 4.601 1.00 0.44 O ATOM 0 H TYR A 712 -0.416 0.938 3.031 1.00 0.20 H new ATOM 0 HA TYR A 712 2.339 0.366 2.750 1.00 0.20 H new ATOM 0 HB2 TYR A 712 0.031 0.004 0.814 1.00 0.22 H new ATOM 0 HB3 TYR A 712 1.619 -0.715 0.636 1.00 0.22 H new ATOM 0 HD1 TYR A 712 1.738 -1.065 3.873 1.00 0.31 H new ATOM 0 HD2 TYR A 712 -0.931 -2.319 0.796 1.00 0.33 H new ATOM 0 HE1 TYR A 712 1.019 -2.951 5.269 1.00 0.36 H new ATOM 0 HE2 TYR A 712 -1.646 -4.210 2.191 1.00 0.38 H new ATOM 0 HH TYR A 712 -1.434 -5.274 4.122 1.00 0.44 H new ATOM 1360 N TYR A 713 1.276 2.905 0.982 1.00 0.21 N ATOM 1361 CA TYR A 713 1.806 4.080 0.281 1.00 0.25 C ATOM 1362 C TYR A 713 2.740 4.861 1.204 1.00 0.23 C ATOM 1363 O TYR A 713 3.803 5.327 0.788 1.00 0.25 O ATOM 1364 CB TYR A 713 0.682 5.000 -0.220 1.00 0.32 C ATOM 1365 CG TYR A 713 0.116 4.615 -1.572 1.00 0.73 C ATOM 1366 CD1 TYR A 713 0.875 4.739 -2.728 1.00 1.81 C ATOM 1367 CD2 TYR A 713 -1.177 4.121 -1.689 1.00 0.96 C ATOM 1368 CE1 TYR A 713 0.363 4.382 -3.961 1.00 2.50 C ATOM 1369 CE2 TYR A 713 -1.697 3.763 -2.921 1.00 1.50 C ATOM 1370 CZ TYR A 713 -0.921 3.925 -4.061 1.00 2.20 C ATOM 1371 OH TYR A 713 -1.437 3.540 -5.278 1.00 2.95 O ATOM 0 H TYR A 713 0.281 2.950 1.203 1.00 0.21 H new ATOM 0 HA TYR A 713 2.360 3.725 -0.588 1.00 0.25 H new ATOM 0 HB2 TYR A 713 -0.125 4.999 0.512 1.00 0.32 H new ATOM 0 HB3 TYR A 713 1.061 6.020 -0.275 1.00 0.32 H new ATOM 0 HD1 TYR A 713 1.883 5.121 -2.662 1.00 1.81 H new ATOM 0 HD2 TYR A 713 -1.787 4.014 -0.804 1.00 0.96 H new ATOM 0 HE1 TYR A 713 0.977 4.464 -4.845 1.00 2.50 H new ATOM 0 HE2 TYR A 713 -2.697 3.361 -2.995 1.00 1.50 H new ATOM 0 HH TYR A 713 -2.363 3.241 -5.161 1.00 2.95 H new ATOM 1381 N GLN A 714 2.333 4.976 2.463 1.00 0.24 N ATOM 1382 CA GLN A 714 3.125 5.628 3.500 1.00 0.28 C ATOM 1383 C GLN A 714 4.460 4.912 3.677 1.00 0.23 C ATOM 1384 O GLN A 714 5.497 5.532 3.928 1.00 0.26 O ATOM 1385 CB GLN A 714 2.332 5.617 4.818 1.00 0.36 C ATOM 1386 CG GLN A 714 3.137 6.000 6.048 1.00 0.65 C ATOM 1387 CD GLN A 714 3.543 7.460 6.071 1.00 1.26 C ATOM 1388 OE1 GLN A 714 2.697 8.333 5.537 1.00 1.94 O flip ATOM 1389 NE2 GLN A 714 4.598 7.801 6.598 1.00 1.98 N flip ATOM 0 H GLN A 714 1.438 4.617 2.795 1.00 0.24 H new ATOM 0 HA GLN A 714 3.329 6.658 3.208 1.00 0.28 H new ATOM 0 HB2 GLN A 714 1.489 6.302 4.725 1.00 0.36 H new ATOM 0 HB3 GLN A 714 1.917 4.620 4.968 1.00 0.36 H new ATOM 0 HG2 GLN A 714 2.551 5.780 6.940 1.00 0.65 H new ATOM 0 HG3 GLN A 714 4.033 5.381 6.094 1.00 0.65 H new ATOM 0 HE21 GLN A 714 5.220 7.097 6.997 1.00 1.98 H new ATOM 0 HE22 GLN A 714 4.853 8.788 6.637 1.00 1.98 H new ATOM 1398 N LYS A 715 4.436 3.605 3.479 1.00 0.21 N ATOM 1399 CA LYS A 715 5.616 2.793 3.687 1.00 0.22 C ATOM 1400 C LYS A 715 6.461 2.810 2.424 1.00 0.20 C ATOM 1401 O LYS A 715 7.675 2.649 2.480 1.00 0.23 O ATOM 1402 CB LYS A 715 5.230 1.358 4.058 1.00 0.27 C ATOM 1403 CG LYS A 715 6.398 0.509 4.544 1.00 0.61 C ATOM 1404 CD LYS A 715 6.909 0.980 5.898 1.00 0.86 C ATOM 1405 CE LYS A 715 8.031 0.096 6.417 1.00 1.16 C ATOM 1406 NZ LYS A 715 9.247 0.183 5.571 1.00 1.67 N ATOM 0 H LYS A 715 3.612 3.087 3.175 1.00 0.21 H new ATOM 0 HA LYS A 715 6.194 3.205 4.515 1.00 0.22 H new ATOM 0 HB2 LYS A 715 4.467 1.387 4.836 1.00 0.27 H new ATOM 0 HB3 LYS A 715 4.781 0.877 3.189 1.00 0.27 H new ATOM 0 HG2 LYS A 715 6.086 -0.533 4.615 1.00 0.61 H new ATOM 0 HG3 LYS A 715 7.207 0.551 3.815 1.00 0.61 H new ATOM 0 HD2 LYS A 715 7.264 2.007 5.815 1.00 0.86 H new ATOM 0 HD3 LYS A 715 6.088 0.984 6.615 1.00 0.86 H new ATOM 0 HE2 LYS A 715 8.279 0.387 7.438 1.00 1.16 H new ATOM 0 HE3 LYS A 715 7.689 -0.938 6.454 1.00 1.16 H new ATOM 0 HZ1 LYS A 715 10.069 -0.159 6.108 1.00 1.67 H new ATOM 0 HZ2 LYS A 715 9.121 -0.403 4.721 1.00 1.67 H new ATOM 0 HZ3 LYS A 715 9.404 1.172 5.290 1.00 1.67 H new ATOM 1420 N ALA A 716 5.802 3.003 1.285 1.00 0.17 N ATOM 1421 CA ALA A 716 6.494 3.195 0.021 1.00 0.18 C ATOM 1422 C ALA A 716 7.323 4.471 0.067 1.00 0.21 C ATOM 1423 O ALA A 716 8.492 4.479 -0.324 1.00 0.25 O ATOM 1424 CB ALA A 716 5.496 3.245 -1.128 1.00 0.21 C ATOM 0 H ALA A 716 4.785 3.030 1.215 1.00 0.17 H new ATOM 0 HA ALA A 716 7.164 2.351 -0.145 1.00 0.18 H new ATOM 0 HB1 ALA A 716 6.030 3.389 -2.067 1.00 0.21 H new ATOM 0 HB2 ALA A 716 4.939 2.309 -1.167 1.00 0.21 H new ATOM 0 HB3 ALA A 716 4.804 4.073 -0.973 1.00 0.21 H new ATOM 1430 N GLU A 717 6.712 5.544 0.562 1.00 0.24 N ATOM 1431 CA GLU A 717 7.406 6.809 0.750 1.00 0.32 C ATOM 1432 C GLU A 717 8.604 6.623 1.673 1.00 0.31 C ATOM 1433 O GLU A 717 9.719 7.055 1.361 1.00 0.33 O ATOM 1434 CB GLU A 717 6.451 7.852 1.332 1.00 0.45 C ATOM 1435 CG GLU A 717 5.420 8.367 0.339 1.00 1.26 C ATOM 1436 CD GLU A 717 6.023 9.306 -0.683 1.00 1.60 C ATOM 1437 OE1 GLU A 717 6.156 10.511 -0.381 1.00 2.16 O ATOM 1438 OE2 GLU A 717 6.369 8.851 -1.794 1.00 2.04 O ATOM 0 H GLU A 717 5.731 5.559 0.841 1.00 0.24 H new ATOM 0 HA GLU A 717 7.762 7.159 -0.219 1.00 0.32 H new ATOM 0 HB2 GLU A 717 5.932 7.418 2.187 1.00 0.45 H new ATOM 0 HB3 GLU A 717 7.033 8.694 1.706 1.00 0.45 H new ATOM 0 HG2 GLU A 717 4.960 7.522 -0.174 1.00 1.26 H new ATOM 0 HG3 GLU A 717 4.626 8.883 0.879 1.00 1.26 H new ATOM 1445 N GLU A 718 8.364 5.967 2.804 1.00 0.31 N ATOM 1446 CA GLU A 718 9.415 5.681 3.769 1.00 0.36 C ATOM 1447 C GLU A 718 10.514 4.836 3.124 1.00 0.33 C ATOM 1448 O GLU A 718 11.696 5.117 3.294 1.00 0.36 O ATOM 1449 CB GLU A 718 8.808 4.974 4.989 1.00 0.43 C ATOM 1450 CG GLU A 718 9.745 4.833 6.183 1.00 1.06 C ATOM 1451 CD GLU A 718 10.738 3.698 6.037 1.00 1.46 C ATOM 1452 OE1 GLU A 718 11.953 3.946 6.156 1.00 1.75 O ATOM 1453 OE2 GLU A 718 10.300 2.550 5.816 1.00 2.20 O ATOM 0 H GLU A 718 7.443 5.622 3.074 1.00 0.31 H new ATOM 0 HA GLU A 718 9.871 6.614 4.101 1.00 0.36 H new ATOM 0 HB2 GLU A 718 7.921 5.524 5.305 1.00 0.43 H new ATOM 0 HB3 GLU A 718 8.476 3.981 4.687 1.00 0.43 H new ATOM 0 HG2 GLU A 718 10.290 5.767 6.320 1.00 1.06 H new ATOM 0 HG3 GLU A 718 9.152 4.674 7.084 1.00 1.06 H new ATOM 1460 N ALA A 719 10.113 3.821 2.364 1.00 0.28 N ATOM 1461 CA ALA A 719 11.060 2.947 1.675 1.00 0.29 C ATOM 1462 C ALA A 719 11.991 3.740 0.761 1.00 0.30 C ATOM 1463 O ALA A 719 13.202 3.527 0.761 1.00 0.37 O ATOM 1464 CB ALA A 719 10.322 1.883 0.877 1.00 0.28 C ATOM 0 H ALA A 719 9.134 3.582 2.209 1.00 0.28 H new ATOM 0 HA ALA A 719 11.670 2.460 2.435 1.00 0.29 H new ATOM 0 HB1 ALA A 719 11.044 1.242 0.371 1.00 0.28 H new ATOM 0 HB2 ALA A 719 9.712 1.281 1.550 1.00 0.28 H new ATOM 0 HB3 ALA A 719 9.681 2.362 0.137 1.00 0.28 H new ATOM 1470 N TRP A 720 11.424 4.659 -0.011 1.00 0.26 N ATOM 1471 CA TRP A 720 12.226 5.482 -0.915 1.00 0.28 C ATOM 1472 C TRP A 720 13.069 6.497 -0.142 1.00 0.33 C ATOM 1473 O TRP A 720 14.086 6.981 -0.638 1.00 0.36 O ATOM 1474 CB TRP A 720 11.345 6.187 -1.951 1.00 0.29 C ATOM 1475 CG TRP A 720 10.686 5.235 -2.912 1.00 0.28 C ATOM 1476 CD1 TRP A 720 11.197 4.050 -3.369 1.00 0.31 C ATOM 1477 CD2 TRP A 720 9.406 5.389 -3.546 1.00 0.32 C ATOM 1478 NE1 TRP A 720 10.313 3.456 -4.235 1.00 0.34 N ATOM 1479 CE2 TRP A 720 9.210 4.257 -4.363 1.00 0.33 C ATOM 1480 CE3 TRP A 720 8.405 6.368 -3.504 1.00 0.40 C ATOM 1481 CZ2 TRP A 720 8.059 4.080 -5.126 1.00 0.40 C ATOM 1482 CZ3 TRP A 720 7.265 6.189 -4.263 1.00 0.47 C ATOM 1483 CH2 TRP A 720 7.099 5.053 -5.063 1.00 0.45 C ATOM 0 H TRP A 720 10.423 4.854 -0.032 1.00 0.26 H new ATOM 0 HA TRP A 720 12.906 4.816 -1.446 1.00 0.28 H new ATOM 0 HB2 TRP A 720 10.577 6.762 -1.434 1.00 0.29 H new ATOM 0 HB3 TRP A 720 11.952 6.898 -2.512 1.00 0.29 H new ATOM 0 HD1 TRP A 720 12.157 3.642 -3.089 1.00 0.31 H new ATOM 0 HE1 TRP A 720 10.455 2.563 -4.707 1.00 0.34 H new ATOM 0 HE3 TRP A 720 8.523 7.248 -2.889 1.00 0.40 H new ATOM 0 HZ2 TRP A 720 7.928 3.205 -5.746 1.00 0.40 H new ATOM 0 HZ3 TRP A 720 6.488 6.939 -4.239 1.00 0.47 H new ATOM 0 HH2 TRP A 720 6.195 4.942 -5.643 1.00 0.45 H new ATOM 1494 N ALA A 721 12.650 6.818 1.071 1.00 0.39 N ATOM 1495 CA ALA A 721 13.443 7.676 1.944 1.00 0.49 C ATOM 1496 C ALA A 721 14.569 6.872 2.586 1.00 0.57 C ATOM 1497 O ALA A 721 15.646 7.394 2.877 1.00 0.64 O ATOM 1498 CB ALA A 721 12.568 8.306 3.014 1.00 0.58 C ATOM 0 H ALA A 721 11.769 6.500 1.475 1.00 0.39 H new ATOM 0 HA ALA A 721 13.878 8.475 1.343 1.00 0.49 H new ATOM 0 HB1 ALA A 721 13.178 8.942 3.655 1.00 0.58 H new ATOM 0 HB2 ALA A 721 11.790 8.906 2.541 1.00 0.58 H new ATOM 0 HB3 ALA A 721 12.106 7.522 3.615 1.00 0.58 H new ATOM 1504 N GLN A 722 14.310 5.588 2.775 1.00 0.64 N ATOM 1505 CA GLN A 722 15.237 4.683 3.434 1.00 0.84 C ATOM 1506 C GLN A 722 16.354 4.215 2.494 1.00 0.87 C ATOM 1507 O GLN A 722 17.078 3.274 2.809 1.00 1.25 O ATOM 1508 CB GLN A 722 14.477 3.479 3.997 1.00 1.18 C ATOM 1509 CG GLN A 722 15.254 2.707 5.051 1.00 1.44 C ATOM 1510 CD GLN A 722 15.556 3.537 6.285 1.00 1.91 C ATOM 1511 OE1 GLN A 722 16.580 3.344 6.937 1.00 2.38 O ATOM 1512 NE2 GLN A 722 14.655 4.442 6.632 1.00 2.33 N ATOM 0 H GLN A 722 13.444 5.142 2.473 1.00 0.64 H new ATOM 0 HA GLN A 722 15.710 5.230 4.249 1.00 0.84 H new ATOM 0 HB2 GLN A 722 13.538 3.823 4.430 1.00 1.18 H new ATOM 0 HB3 GLN A 722 14.223 2.805 3.179 1.00 1.18 H new ATOM 0 HG2 GLN A 722 14.684 1.825 5.343 1.00 1.44 H new ATOM 0 HG3 GLN A 722 16.190 2.353 4.619 1.00 1.44 H new ATOM 0 HE21 GLN A 722 13.818 4.572 6.064 1.00 2.33 H new ATOM 0 HE22 GLN A 722 14.798 5.010 7.467 1.00 2.33 H new ATOM 1521 N MET A 723 16.495 4.859 1.337 1.00 0.99 N ATOM 1522 CA MET A 723 17.565 4.509 0.389 1.00 1.31 C ATOM 1523 C MET A 723 18.955 4.699 1.006 1.00 1.98 C ATOM 1524 O MET A 723 19.970 4.354 0.399 1.00 2.42 O ATOM 1525 CB MET A 723 17.456 5.324 -0.903 1.00 1.25 C ATOM 1526 CG MET A 723 16.265 4.944 -1.771 1.00 0.96 C ATOM 1527 SD MET A 723 16.282 5.752 -3.384 1.00 1.60 S ATOM 1528 CE MET A 723 16.264 7.477 -2.906 1.00 2.19 C ATOM 0 H MET A 723 15.890 5.621 1.030 1.00 0.99 H new ATOM 0 HA MET A 723 17.437 3.453 0.149 1.00 1.31 H new ATOM 0 HB2 MET A 723 17.386 6.382 -0.649 1.00 1.25 H new ATOM 0 HB3 MET A 723 18.371 5.195 -1.481 1.00 1.25 H new ATOM 0 HG2 MET A 723 16.256 3.863 -1.912 1.00 0.96 H new ATOM 0 HG3 MET A 723 15.344 5.205 -1.249 1.00 0.96 H new ATOM 0 HE1 MET A 723 15.426 7.979 -3.388 1.00 2.19 H new ATOM 0 HE2 MET A 723 16.159 7.554 -1.824 1.00 2.19 H new ATOM 0 HE3 MET A 723 17.196 7.950 -3.214 1.00 2.19 H new ATOM 1538 N GLU A 724 18.989 5.245 2.213 1.00 2.33 N ATOM 1539 CA GLU A 724 20.218 5.374 2.984 1.00 3.03 C ATOM 1540 C GLU A 724 20.661 4.015 3.541 1.00 3.35 C ATOM 1541 O GLU A 724 21.789 3.862 4.010 1.00 3.82 O ATOM 1542 CB GLU A 724 19.998 6.373 4.123 1.00 3.31 C ATOM 1543 CG GLU A 724 18.768 6.066 4.965 1.00 3.60 C ATOM 1544 CD GLU A 724 18.498 7.119 6.019 1.00 4.24 C ATOM 1545 OE1 GLU A 724 18.855 6.889 7.194 1.00 4.88 O ATOM 1546 OE2 GLU A 724 17.924 8.174 5.680 1.00 4.47 O ATOM 0 H GLU A 724 18.164 5.612 2.687 1.00 2.33 H new ATOM 0 HA GLU A 724 21.010 5.739 2.329 1.00 3.03 H new ATOM 0 HB2 GLU A 724 20.878 6.379 4.766 1.00 3.31 H new ATOM 0 HB3 GLU A 724 19.902 7.375 3.705 1.00 3.31 H new ATOM 0 HG2 GLU A 724 17.899 5.981 4.312 1.00 3.60 H new ATOM 0 HG3 GLU A 724 18.898 5.099 5.450 1.00 3.60 H new ATOM 1553 N GLU A 725 19.762 3.039 3.486 1.00 3.48 N ATOM 1554 CA GLU A 725 20.039 1.687 3.967 1.00 4.01 C ATOM 1555 C GLU A 725 20.971 0.957 2.998 1.00 4.63 C ATOM 1556 O GLU A 725 20.504 0.549 1.912 1.00 5.05 O ATOM 1557 CB GLU A 725 18.722 0.912 4.128 1.00 4.09 C ATOM 1558 CG GLU A 725 18.873 -0.485 4.713 1.00 4.80 C ATOM 1559 CD GLU A 725 19.355 -0.480 6.149 1.00 5.11 C ATOM 1560 OE1 GLU A 725 18.586 -0.060 7.042 1.00 5.31 O ATOM 1561 OE2 GLU A 725 20.498 -0.918 6.399 1.00 5.52 O ATOM 1562 OXT GLU A 725 22.165 0.787 3.326 1.00 5.02 O ATOM 0 H GLU A 725 18.822 3.160 3.108 1.00 3.48 H new ATOM 0 HA GLU A 725 20.533 1.751 4.936 1.00 4.01 H new ATOM 0 HB2 GLU A 725 18.053 1.488 4.767 1.00 4.09 H new ATOM 0 HB3 GLU A 725 18.241 0.833 3.153 1.00 4.09 H new ATOM 0 HG2 GLU A 725 17.914 -1.000 4.660 1.00 4.80 H new ATOM 0 HG3 GLU A 725 19.574 -1.054 4.103 1.00 4.80 H new TER 1569 GLU A 725