USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=31 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 659 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 665 TYR OH : rot 180:sc= 0.643 USER MOD Set 1.3: A 666 MET CE :methyl -163:sc= 0 (180deg=-0.146) USER MOD Set 1.4: A 705 LYS NZ :NH3+ -174:sc= 0.608 (180deg=-0.0411) USER MOD Set 2.1: A 642 ASN : amide:sc= -0.452 K(o=-0.013,f=-4.9!) USER MOD Set 2.2: A 648 THR OG1 : rot 180:sc= 0 USER MOD Set 2.3: A 713 TYR OH : rot 81:sc= 0.438 USER MOD Single : A 624 SER OG : rot 180:sc= 0 USER MOD Single : A 625 HIS : no HD1:sc= 0.361 K(o=0.36,f=-4.7!) USER MOD Single : A 626 MET CE :methyl -135:sc= 0 (180deg=-1.29) USER MOD Single : A 627 SER OG : rot -171:sc= -1.03 USER MOD Single : A 631 CYS SG : rot 110:sc= -2.24! USER MOD Single : A 632 GLN : amide:sc= -0.0721 X(o=-0.072,f=0) USER MOD Single : A 639 HIS : no HE2:sc= 0.739 K(o=0.74,f=-5.1!) USER MOD Single : A 641 TYR OH : rot 180:sc= -0.0421 USER MOD Single : A 643 THR OG1 : rot 74:sc= 1.23 USER MOD Single : A 647 MET CE :methyl -159:sc= -0.119 (180deg=-1.39) USER MOD Single : A 650 CYS SG : rot 50:sc= 0.23 USER MOD Single : A 656 TYR OH : rot 180:sc= 0 USER MOD Single : A 660 GLN : amide:sc= -0.417 K(o=-0.42,f=-3.3) USER MOD Single : A 667 MET CE :methyl 147:sc= -0.839 (180deg=-1.96!) USER MOD Single : A 674 MET CE :methyl 179:sc= -0.775 (180deg=-0.797) USER MOD Single : A 677 THR OG1 : rot -72:sc= 0.855 USER MOD Single : A 680 TYR OH : rot 180:sc= 0 USER MOD Single : A 684 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 687 GLN : amide:sc= -0.0437 X(o=-0.044,f=-0.52) USER MOD Single : A 689 SER OG : rot 81:sc= 1.13 USER MOD Single : A 693 TYR OH : rot 180:sc= 0 USER MOD Single : A 694 THR OG1 : rot -84:sc= 1.19 USER MOD Single : A 695 GLN :FLIP amide:sc= -0.0532 F(o=-1.5,f=-0.053) USER MOD Single : A 701 MET CE :methyl -134:sc= 0 (180deg=-1.3) USER MOD Single : A 704 MET CE :methyl -107:sc= 0 (180deg=-1.59) USER MOD Single : A 710 ASN : amide:sc= 1.15 K(o=1.2,f=-0.11) USER MOD Single : A 711 GLN :FLIP amide:sc= -0.0389 F(o=-1.3!,f=-0.039) USER MOD Single : A 712 TYR OH : rot 30:sc=-0.00312 USER MOD Single : A 714 GLN :FLIP amide:sc= 0 F(o=-0.93,f=0) USER MOD Single : A 715 LYS NZ :NH3+ 175:sc= 0.975 (180deg=0.745) USER MOD Single : A 722 GLN :FLIP amide:sc= -0.0505 F(o=-1.2,f=-0.051) USER MOD Single : A 723 MET CE :methyl -172:sc= -0.248 (180deg=-0.484) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 623 -24.183 -3.907 -13.022 1.00 15.53 N ATOM 2 CA GLY A 623 -22.718 -4.115 -13.110 1.00 15.09 C ATOM 3 C GLY A 623 -21.984 -3.492 -11.943 1.00 14.39 C ATOM 4 O GLY A 623 -22.044 -2.279 -11.741 1.00 14.22 O ATOM 0 HA2 GLY A 623 -22.505 -5.184 -13.143 1.00 15.09 H new ATOM 0 HA3 GLY A 623 -22.347 -3.687 -14.041 1.00 15.09 H new ATOM 10 N SER A 624 -21.296 -4.318 -11.169 1.00 14.14 N ATOM 11 CA SER A 624 -20.592 -3.845 -9.991 1.00 13.65 C ATOM 12 C SER A 624 -19.191 -4.448 -9.895 1.00 12.93 C ATOM 13 O SER A 624 -18.809 -4.999 -8.863 1.00 12.90 O ATOM 14 CB SER A 624 -21.408 -4.168 -8.736 1.00 13.94 C ATOM 15 OG SER A 624 -21.942 -5.484 -8.797 1.00 14.35 O ATOM 0 H SER A 624 -21.211 -5.320 -11.338 1.00 14.14 H new ATOM 0 HA SER A 624 -20.475 -2.764 -10.073 1.00 13.65 H new ATOM 0 HB2 SER A 624 -20.777 -4.069 -7.853 1.00 13.94 H new ATOM 0 HB3 SER A 624 -22.219 -3.448 -8.631 1.00 13.94 H new ATOM 0 HG SER A 624 -22.457 -5.666 -7.983 1.00 14.35 H new ATOM 21 N HIS A 625 -18.426 -4.352 -10.976 1.00 12.51 N ATOM 22 CA HIS A 625 -17.040 -4.806 -10.953 1.00 11.96 C ATOM 23 C HIS A 625 -16.153 -3.702 -10.386 1.00 11.32 C ATOM 24 O HIS A 625 -14.993 -3.924 -10.052 1.00 11.18 O ATOM 25 CB HIS A 625 -16.553 -5.230 -12.354 1.00 11.96 C ATOM 26 CG HIS A 625 -16.426 -4.112 -13.352 1.00 12.45 C ATOM 27 ND1 HIS A 625 -17.330 -3.900 -14.371 1.00 12.80 N ATOM 28 CD2 HIS A 625 -15.475 -3.159 -13.497 1.00 12.83 C ATOM 29 CE1 HIS A 625 -16.941 -2.867 -15.095 1.00 13.34 C ATOM 30 NE2 HIS A 625 -15.819 -2.398 -14.585 1.00 13.37 N ATOM 0 H HIS A 625 -18.736 -3.969 -11.869 1.00 12.51 H new ATOM 0 HA HIS A 625 -16.979 -5.686 -10.313 1.00 11.96 H new ATOM 0 HB2 HIS A 625 -15.583 -5.717 -12.252 1.00 11.96 H new ATOM 0 HB3 HIS A 625 -17.243 -5.974 -12.752 1.00 11.96 H new ATOM 0 HD2 HIS A 625 -14.605 -3.023 -12.871 1.00 12.83 H new ATOM 0 HE1 HIS A 625 -17.455 -2.473 -15.959 1.00 13.34 H new ATOM 0 HE2 HIS A 625 -15.293 -1.600 -14.941 1.00 13.37 H new ATOM 39 N MET A 626 -16.717 -2.503 -10.303 1.00 11.11 N ATOM 40 CA MET A 626 -16.029 -1.361 -9.723 1.00 10.60 C ATOM 41 C MET A 626 -17.046 -0.384 -9.149 1.00 9.72 C ATOM 42 O MET A 626 -17.269 0.697 -9.694 1.00 9.78 O ATOM 43 CB MET A 626 -15.156 -0.656 -10.767 1.00 11.28 C ATOM 44 CG MET A 626 -14.279 0.441 -10.176 1.00 11.91 C ATOM 45 SD MET A 626 -13.071 -0.204 -9.001 1.00 12.79 S ATOM 46 CE MET A 626 -12.318 1.311 -8.416 1.00 13.30 C ATOM 0 H MET A 626 -17.659 -2.298 -10.635 1.00 11.11 H new ATOM 0 HA MET A 626 -15.380 -1.720 -8.924 1.00 10.60 H new ATOM 0 HB2 MET A 626 -14.522 -1.394 -11.258 1.00 11.28 H new ATOM 0 HB3 MET A 626 -15.797 -0.225 -11.536 1.00 11.28 H new ATOM 0 HG2 MET A 626 -13.758 0.959 -10.981 1.00 11.91 H new ATOM 0 HG3 MET A 626 -14.909 1.178 -9.678 1.00 11.91 H new ATOM 0 HE1 MET A 626 -11.235 1.193 -8.392 1.00 13.30 H new ATOM 0 HE2 MET A 626 -12.579 2.130 -9.086 1.00 13.30 H new ATOM 0 HE3 MET A 626 -12.681 1.534 -7.413 1.00 13.30 H new ATOM 56 N SER A 627 -17.679 -0.779 -8.060 1.00 9.08 N ATOM 57 CA SER A 627 -18.680 0.062 -7.423 1.00 8.35 C ATOM 58 C SER A 627 -18.359 0.255 -5.943 1.00 7.32 C ATOM 59 O SER A 627 -19.017 -0.315 -5.075 1.00 7.21 O ATOM 60 CB SER A 627 -20.068 -0.559 -7.592 1.00 8.70 C ATOM 61 OG SER A 627 -20.333 -0.840 -8.958 1.00 9.26 O ATOM 0 H SER A 627 -17.520 -1.674 -7.598 1.00 9.08 H new ATOM 0 HA SER A 627 -18.670 1.040 -7.903 1.00 8.35 H new ATOM 0 HB2 SER A 627 -20.134 -1.477 -7.008 1.00 8.70 H new ATOM 0 HB3 SER A 627 -20.825 0.121 -7.203 1.00 8.70 H new ATOM 0 HG SER A 627 -21.272 -1.102 -9.062 1.00 9.26 H new ATOM 67 N PRO A 628 -17.346 1.079 -5.637 1.00 6.76 N ATOM 68 CA PRO A 628 -16.903 1.309 -4.267 1.00 5.93 C ATOM 69 C PRO A 628 -17.747 2.361 -3.550 1.00 5.48 C ATOM 70 O PRO A 628 -17.218 3.288 -2.939 1.00 5.24 O ATOM 71 CB PRO A 628 -15.469 1.798 -4.456 1.00 5.90 C ATOM 72 CG PRO A 628 -15.481 2.511 -5.767 1.00 6.58 C ATOM 73 CD PRO A 628 -16.552 1.858 -6.605 1.00 7.14 C ATOM 0 HA PRO A 628 -16.990 0.418 -3.645 1.00 5.93 H new ATOM 0 HB2 PRO A 628 -15.167 2.463 -3.647 1.00 5.90 H new ATOM 0 HB3 PRO A 628 -14.765 0.966 -4.464 1.00 5.90 H new ATOM 0 HG2 PRO A 628 -15.691 3.572 -5.629 1.00 6.58 H new ATOM 0 HG3 PRO A 628 -14.509 2.439 -6.256 1.00 6.58 H new ATOM 0 HD2 PRO A 628 -17.165 2.600 -7.117 1.00 7.14 H new ATOM 0 HD3 PRO A 628 -16.120 1.217 -7.373 1.00 7.14 H new ATOM 81 N ASP A 629 -19.063 2.202 -3.616 1.00 5.68 N ATOM 82 CA ASP A 629 -19.987 3.170 -3.026 1.00 5.52 C ATOM 83 C ASP A 629 -19.766 3.300 -1.524 1.00 4.87 C ATOM 84 O ASP A 629 -19.773 4.403 -0.981 1.00 4.76 O ATOM 85 CB ASP A 629 -21.444 2.781 -3.298 1.00 6.23 C ATOM 86 CG ASP A 629 -21.818 2.869 -4.764 1.00 6.68 C ATOM 87 OD1 ASP A 629 -21.929 3.998 -5.288 1.00 7.07 O ATOM 88 OD2 ASP A 629 -21.992 1.811 -5.406 1.00 6.91 O ATOM 0 H ASP A 629 -19.518 1.411 -4.072 1.00 5.68 H new ATOM 0 HA ASP A 629 -19.785 4.133 -3.495 1.00 5.52 H new ATOM 0 HB2 ASP A 629 -21.614 1.764 -2.946 1.00 6.23 H new ATOM 0 HB3 ASP A 629 -22.101 3.432 -2.722 1.00 6.23 H new ATOM 93 N ARG A 630 -19.548 2.175 -0.856 1.00 4.79 N ATOM 94 CA ARG A 630 -19.325 2.184 0.587 1.00 4.57 C ATOM 95 C ARG A 630 -17.876 1.859 0.932 1.00 4.10 C ATOM 96 O ARG A 630 -17.554 1.559 2.084 1.00 4.34 O ATOM 97 CB ARG A 630 -20.249 1.184 1.284 1.00 5.38 C ATOM 98 CG ARG A 630 -20.035 -0.254 0.845 1.00 5.89 C ATOM 99 CD ARG A 630 -20.731 -1.229 1.777 1.00 6.81 C ATOM 100 NE ARG A 630 -20.213 -1.138 3.142 1.00 7.37 N ATOM 101 CZ ARG A 630 -19.861 -2.190 3.883 1.00 8.27 C ATOM 102 NH1 ARG A 630 -19.987 -3.423 3.405 1.00 8.70 N ATOM 103 NH2 ARG A 630 -19.388 -2.006 5.110 1.00 8.95 N ATOM 0 H ARG A 630 -19.521 1.250 -1.285 1.00 4.79 H new ATOM 0 HA ARG A 630 -19.548 3.191 0.940 1.00 4.57 H new ATOM 0 HB2 ARG A 630 -20.097 1.252 2.361 1.00 5.38 H new ATOM 0 HB3 ARG A 630 -21.285 1.463 1.090 1.00 5.38 H new ATOM 0 HG2 ARG A 630 -20.412 -0.386 -0.169 1.00 5.89 H new ATOM 0 HG3 ARG A 630 -18.967 -0.473 0.819 1.00 5.89 H new ATOM 0 HD2 ARG A 630 -21.802 -1.027 1.780 1.00 6.81 H new ATOM 0 HD3 ARG A 630 -20.599 -2.245 1.405 1.00 6.81 H new ATOM 0 HE ARG A 630 -20.115 -0.210 3.554 1.00 7.37 H new ATOM 0 HH11 ARG A 630 -20.355 -3.571 2.465 1.00 8.70 H new ATOM 0 HH12 ARG A 630 -19.716 -4.222 3.978 1.00 8.70 H new ATOM 0 HH21 ARG A 630 -19.294 -1.062 5.484 1.00 8.95 H new ATOM 0 HH22 ARG A 630 -19.118 -2.809 5.678 1.00 8.95 H new ATOM 117 N CYS A 631 -17.003 1.917 -0.061 1.00 3.77 N ATOM 118 CA CYS A 631 -15.601 1.588 0.140 1.00 3.49 C ATOM 119 C CYS A 631 -14.714 2.441 -0.756 1.00 3.17 C ATOM 120 O CYS A 631 -13.861 1.933 -1.478 1.00 3.32 O ATOM 121 CB CYS A 631 -15.368 0.099 -0.123 1.00 3.72 C ATOM 122 SG CYS A 631 -16.126 -0.511 -1.647 1.00 4.38 S ATOM 0 H CYS A 631 -17.241 2.189 -1.015 1.00 3.77 H new ATOM 0 HA CYS A 631 -15.337 1.803 1.175 1.00 3.49 H new ATOM 0 HB2 CYS A 631 -14.295 -0.088 -0.164 1.00 3.72 H new ATOM 0 HB3 CYS A 631 -15.759 -0.473 0.718 1.00 3.72 H new ATOM 0 HG CYS A 631 -15.197 -0.795 -2.510 1.00 4.38 H new ATOM 128 N GLN A 632 -14.923 3.745 -0.696 1.00 3.10 N ATOM 129 CA GLN A 632 -14.139 4.681 -1.486 1.00 3.01 C ATOM 130 C GLN A 632 -13.336 5.590 -0.570 1.00 2.97 C ATOM 131 O GLN A 632 -12.956 6.701 -0.938 1.00 2.93 O ATOM 132 CB GLN A 632 -15.040 5.495 -2.418 1.00 3.40 C ATOM 133 CG GLN A 632 -16.241 6.125 -1.732 1.00 3.70 C ATOM 134 CD GLN A 632 -17.147 6.836 -2.713 1.00 4.22 C ATOM 135 OE1 GLN A 632 -16.994 8.028 -2.970 1.00 4.67 O ATOM 136 NE2 GLN A 632 -18.080 6.099 -3.287 1.00 4.57 N ATOM 0 H GLN A 632 -15.632 4.182 -0.106 1.00 3.10 H new ATOM 0 HA GLN A 632 -13.444 4.117 -2.109 1.00 3.01 H new ATOM 0 HB2 GLN A 632 -14.446 6.283 -2.882 1.00 3.40 H new ATOM 0 HB3 GLN A 632 -15.393 4.847 -3.221 1.00 3.40 H new ATOM 0 HG2 GLN A 632 -16.807 5.353 -1.210 1.00 3.70 H new ATOM 0 HG3 GLN A 632 -15.897 6.833 -0.978 1.00 3.70 H new ATOM 0 HE21 GLN A 632 -18.172 5.113 -3.044 1.00 4.57 H new ATOM 0 HE22 GLN A 632 -18.709 6.516 -3.973 1.00 4.57 H new ATOM 145 N ASP A 633 -13.072 5.090 0.628 1.00 3.23 N ATOM 146 CA ASP A 633 -12.288 5.815 1.617 1.00 3.48 C ATOM 147 C ASP A 633 -10.815 5.843 1.222 1.00 3.00 C ATOM 148 O ASP A 633 -10.055 6.698 1.671 1.00 3.13 O ATOM 149 CB ASP A 633 -12.453 5.161 2.992 1.00 4.11 C ATOM 150 CG ASP A 633 -11.627 5.835 4.070 1.00 4.69 C ATOM 151 OD1 ASP A 633 -12.086 6.850 4.632 1.00 5.22 O ATOM 152 OD2 ASP A 633 -10.521 5.346 4.371 1.00 4.94 O ATOM 0 H ASP A 633 -13.394 4.174 0.941 1.00 3.23 H new ATOM 0 HA ASP A 633 -12.650 6.842 1.663 1.00 3.48 H new ATOM 0 HB2 ASP A 633 -13.505 5.188 3.277 1.00 4.11 H new ATOM 0 HB3 ASP A 633 -12.167 4.111 2.926 1.00 4.11 H new ATOM 157 N TRP A 634 -10.427 4.921 0.343 1.00 2.60 N ATOM 158 CA TRP A 634 -9.029 4.772 -0.043 1.00 2.30 C ATOM 159 C TRP A 634 -8.515 6.008 -0.781 1.00 1.84 C ATOM 160 O TRP A 634 -7.322 6.326 -0.715 1.00 1.69 O ATOM 161 CB TRP A 634 -8.815 3.495 -0.873 1.00 2.47 C ATOM 162 CG TRP A 634 -9.750 3.333 -2.039 1.00 2.40 C ATOM 163 CD1 TRP A 634 -10.951 2.688 -2.035 1.00 2.72 C ATOM 164 CD2 TRP A 634 -9.546 3.791 -3.381 1.00 2.37 C ATOM 165 NE1 TRP A 634 -11.516 2.732 -3.285 1.00 2.82 N ATOM 166 CE2 TRP A 634 -10.671 3.399 -4.131 1.00 2.72 C ATOM 167 CE3 TRP A 634 -8.525 4.498 -4.021 1.00 2.38 C ATOM 168 CZ2 TRP A 634 -10.802 3.690 -5.487 1.00 3.15 C ATOM 169 CZ3 TRP A 634 -8.655 4.785 -5.366 1.00 2.88 C ATOM 170 CH2 TRP A 634 -9.786 4.382 -6.087 1.00 3.28 C ATOM 0 H TRP A 634 -11.062 4.267 -0.114 1.00 2.60 H new ATOM 0 HA TRP A 634 -8.445 4.675 0.872 1.00 2.30 H new ATOM 0 HB2 TRP A 634 -7.790 3.488 -1.244 1.00 2.47 H new ATOM 0 HB3 TRP A 634 -8.922 2.631 -0.217 1.00 2.47 H new ATOM 0 HD1 TRP A 634 -11.394 2.211 -1.173 1.00 2.72 H new ATOM 0 HE1 TRP A 634 -12.419 2.333 -3.542 1.00 2.82 H new ATOM 0 HE3 TRP A 634 -7.649 4.815 -3.474 1.00 2.38 H new ATOM 0 HZ2 TRP A 634 -11.674 3.381 -6.044 1.00 3.15 H new ATOM 0 HZ3 TRP A 634 -7.871 5.330 -5.870 1.00 2.88 H new ATOM 0 HH2 TRP A 634 -9.857 4.622 -7.137 1.00 3.28 H new ATOM 181 N LEU A 635 -9.415 6.725 -1.453 1.00 1.89 N ATOM 182 CA LEU A 635 -9.040 7.973 -2.108 1.00 2.05 C ATOM 183 C LEU A 635 -8.572 8.974 -1.064 1.00 2.36 C ATOM 184 O LEU A 635 -7.583 9.677 -1.257 1.00 2.50 O ATOM 185 CB LEU A 635 -10.202 8.575 -2.909 1.00 2.45 C ATOM 186 CG LEU A 635 -10.634 7.794 -4.151 1.00 2.54 C ATOM 187 CD1 LEU A 635 -11.665 6.737 -3.797 1.00 2.83 C ATOM 188 CD2 LEU A 635 -11.177 8.739 -5.210 1.00 3.12 C ATOM 0 H LEU A 635 -10.396 6.466 -1.556 1.00 1.89 H new ATOM 0 HA LEU A 635 -8.234 7.751 -2.808 1.00 2.05 H new ATOM 0 HB2 LEU A 635 -11.062 8.671 -2.247 1.00 2.45 H new ATOM 0 HB3 LEU A 635 -9.922 9.583 -3.217 1.00 2.45 H new ATOM 0 HG LEU A 635 -9.758 7.287 -4.556 1.00 2.54 H new ATOM 0 HD11 LEU A 635 -11.955 6.196 -4.698 1.00 2.83 H new ATOM 0 HD12 LEU A 635 -11.238 6.039 -3.076 1.00 2.83 H new ATOM 0 HD13 LEU A 635 -12.543 7.216 -3.363 1.00 2.83 H new ATOM 0 HD21 LEU A 635 -11.480 8.167 -6.087 1.00 3.12 H new ATOM 0 HD22 LEU A 635 -12.038 9.276 -4.812 1.00 3.12 H new ATOM 0 HD23 LEU A 635 -10.403 9.453 -5.492 1.00 3.12 H new ATOM 200 N GLU A 636 -9.278 9.007 0.057 1.00 2.71 N ATOM 201 CA GLU A 636 -8.917 9.884 1.154 1.00 3.25 C ATOM 202 C GLU A 636 -7.722 9.329 1.914 1.00 3.07 C ATOM 203 O GLU A 636 -6.906 10.082 2.434 1.00 3.33 O ATOM 204 CB GLU A 636 -10.098 10.097 2.098 1.00 3.85 C ATOM 205 CG GLU A 636 -11.086 11.136 1.595 1.00 4.37 C ATOM 206 CD GLU A 636 -10.397 12.420 1.179 1.00 4.88 C ATOM 207 OE1 GLU A 636 -10.328 12.695 -0.035 1.00 5.12 O ATOM 208 OE2 GLU A 636 -9.892 13.148 2.059 1.00 5.37 O ATOM 0 H GLU A 636 -10.105 8.435 0.228 1.00 2.71 H new ATOM 0 HA GLU A 636 -8.641 10.851 0.733 1.00 3.25 H new ATOM 0 HB2 GLU A 636 -10.618 9.149 2.239 1.00 3.85 H new ATOM 0 HB3 GLU A 636 -9.724 10.404 3.075 1.00 3.85 H new ATOM 0 HG2 GLU A 636 -11.639 10.730 0.748 1.00 4.37 H new ATOM 0 HG3 GLU A 636 -11.814 11.352 2.377 1.00 4.37 H new ATOM 215 N ALA A 637 -7.619 8.012 1.958 1.00 2.79 N ATOM 216 CA ALA A 637 -6.496 7.346 2.604 1.00 2.78 C ATOM 217 C ALA A 637 -5.167 7.835 2.037 1.00 2.28 C ATOM 218 O ALA A 637 -4.223 8.105 2.779 1.00 2.44 O ATOM 219 CB ALA A 637 -6.624 5.844 2.437 1.00 2.89 C ATOM 0 H ALA A 637 -8.305 7.376 1.551 1.00 2.79 H new ATOM 0 HA ALA A 637 -6.514 7.590 3.666 1.00 2.78 H new ATOM 0 HB1 ALA A 637 -5.782 5.351 2.922 1.00 2.89 H new ATOM 0 HB2 ALA A 637 -7.554 5.505 2.893 1.00 2.89 H new ATOM 0 HB3 ALA A 637 -6.628 5.595 1.376 1.00 2.89 H new ATOM 225 N LEU A 638 -5.103 7.959 0.716 1.00 1.83 N ATOM 226 CA LEU A 638 -3.906 8.478 0.056 1.00 1.65 C ATOM 227 C LEU A 638 -3.920 10.009 0.004 1.00 2.09 C ATOM 228 O LEU A 638 -2.922 10.638 -0.343 1.00 2.25 O ATOM 229 CB LEU A 638 -3.764 7.893 -1.355 1.00 1.61 C ATOM 230 CG LEU A 638 -3.090 6.513 -1.435 1.00 1.61 C ATOM 231 CD1 LEU A 638 -3.892 5.458 -0.687 1.00 2.00 C ATOM 232 CD2 LEU A 638 -2.894 6.098 -2.885 1.00 1.99 C ATOM 0 H LEU A 638 -5.861 7.709 0.081 1.00 1.83 H new ATOM 0 HA LEU A 638 -3.043 8.169 0.646 1.00 1.65 H new ATOM 0 HB2 LEU A 638 -4.756 7.820 -1.801 1.00 1.61 H new ATOM 0 HB3 LEU A 638 -3.192 8.593 -1.964 1.00 1.61 H new ATOM 0 HG LEU A 638 -2.114 6.593 -0.957 1.00 1.61 H new ATOM 0 HD11 LEU A 638 -3.387 4.495 -0.764 1.00 2.00 H new ATOM 0 HD12 LEU A 638 -3.976 5.741 0.362 1.00 2.00 H new ATOM 0 HD13 LEU A 638 -4.888 5.381 -1.123 1.00 2.00 H new ATOM 0 HD21 LEU A 638 -2.416 5.119 -2.922 1.00 1.99 H new ATOM 0 HD22 LEU A 638 -3.862 6.048 -3.383 1.00 1.99 H new ATOM 0 HD23 LEU A 638 -2.263 6.829 -3.391 1.00 1.99 H new ATOM 244 N HIS A 639 -5.058 10.600 0.341 1.00 2.51 N ATOM 245 CA HIS A 639 -5.215 12.053 0.320 1.00 3.15 C ATOM 246 C HIS A 639 -4.707 12.674 1.622 1.00 3.32 C ATOM 247 O HIS A 639 -4.065 13.722 1.610 1.00 3.71 O ATOM 248 CB HIS A 639 -6.689 12.407 0.106 1.00 3.69 C ATOM 249 CG HIS A 639 -6.977 13.874 -0.033 1.00 4.41 C ATOM 250 ND1 HIS A 639 -8.031 14.487 0.607 1.00 4.97 N ATOM 251 CD2 HIS A 639 -6.369 14.840 -0.763 1.00 4.95 C ATOM 252 CE1 HIS A 639 -8.062 15.763 0.279 1.00 5.62 C ATOM 253 NE2 HIS A 639 -7.065 16.005 -0.551 1.00 5.61 N ATOM 0 H HIS A 639 -5.893 10.094 0.635 1.00 2.51 H new ATOM 0 HA HIS A 639 -4.623 12.457 -0.501 1.00 3.15 H new ATOM 0 HB2 HIS A 639 -7.043 11.896 -0.790 1.00 3.69 H new ATOM 0 HB3 HIS A 639 -7.266 12.017 0.945 1.00 3.69 H new ATOM 0 HD1 HIS A 639 -8.686 14.025 1.237 1.00 4.97 H new ATOM 0 HD2 HIS A 639 -5.500 14.717 -1.393 1.00 4.95 H new ATOM 0 HE1 HIS A 639 -8.782 16.488 0.630 1.00 5.62 H new ATOM 262 N TRP A 640 -5.001 12.022 2.744 1.00 3.17 N ATOM 263 CA TRP A 640 -4.585 12.518 4.055 1.00 3.45 C ATOM 264 C TRP A 640 -3.075 12.409 4.241 1.00 2.97 C ATOM 265 O TRP A 640 -2.466 13.232 4.928 1.00 3.21 O ATOM 266 CB TRP A 640 -5.292 11.753 5.182 1.00 3.97 C ATOM 267 CG TRP A 640 -6.730 12.139 5.385 1.00 4.43 C ATOM 268 CD1 TRP A 640 -7.807 11.682 4.685 1.00 4.57 C ATOM 269 CD2 TRP A 640 -7.251 13.047 6.370 1.00 5.16 C ATOM 270 NE1 TRP A 640 -8.961 12.249 5.162 1.00 5.35 N ATOM 271 CE2 TRP A 640 -8.648 13.093 6.194 1.00 5.75 C ATOM 272 CE3 TRP A 640 -6.676 13.828 7.379 1.00 5.54 C ATOM 273 CZ2 TRP A 640 -9.474 13.883 6.987 1.00 6.72 C ATOM 274 CZ3 TRP A 640 -7.502 14.613 8.165 1.00 6.48 C ATOM 275 CH2 TRP A 640 -8.885 14.635 7.965 1.00 7.07 C ATOM 0 H TRP A 640 -5.526 11.148 2.773 1.00 3.17 H new ATOM 0 HA TRP A 640 -4.868 13.570 4.102 1.00 3.45 H new ATOM 0 HB2 TRP A 640 -5.241 10.685 4.968 1.00 3.97 H new ATOM 0 HB3 TRP A 640 -4.749 11.917 6.113 1.00 3.97 H new ATOM 0 HD1 TRP A 640 -7.758 10.974 3.871 1.00 4.57 H new ATOM 0 HE1 TRP A 640 -9.900 12.071 4.806 1.00 5.35 H new ATOM 0 HE3 TRP A 640 -5.608 13.818 7.541 1.00 5.54 H new ATOM 0 HZ2 TRP A 640 -10.543 13.902 6.835 1.00 6.72 H new ATOM 0 HZ3 TRP A 640 -7.070 15.220 8.947 1.00 6.48 H new ATOM 0 HH2 TRP A 640 -9.501 15.259 8.596 1.00 7.07 H new ATOM 286 N TYR A 641 -2.468 11.405 3.622 1.00 2.48 N ATOM 287 CA TYR A 641 -1.045 11.163 3.803 1.00 2.29 C ATOM 288 C TYR A 641 -0.329 11.082 2.461 1.00 2.37 C ATOM 289 O TYR A 641 -0.559 10.158 1.682 1.00 2.80 O ATOM 290 CB TYR A 641 -0.812 9.871 4.597 1.00 2.57 C ATOM 291 CG TYR A 641 0.629 9.671 5.015 1.00 2.91 C ATOM 292 CD1 TYR A 641 1.070 10.047 6.278 1.00 3.42 C ATOM 293 CD2 TYR A 641 1.547 9.100 4.145 1.00 3.41 C ATOM 294 CE1 TYR A 641 2.383 9.856 6.661 1.00 4.14 C ATOM 295 CE2 TYR A 641 2.861 8.908 4.520 1.00 4.25 C ATOM 296 CZ TYR A 641 3.276 9.320 5.789 1.00 4.51 C ATOM 297 OH TYR A 641 4.585 9.095 6.155 1.00 5.50 O ATOM 0 H TYR A 641 -2.935 10.750 2.995 1.00 2.48 H new ATOM 0 HA TYR A 641 -0.635 12.002 4.365 1.00 2.29 H new ATOM 0 HB2 TYR A 641 -1.442 9.882 5.487 1.00 2.57 H new ATOM 0 HB3 TYR A 641 -1.128 9.021 3.993 1.00 2.57 H new ATOM 0 HD1 TYR A 641 0.374 10.496 6.972 1.00 3.42 H new ATOM 0 HD2 TYR A 641 1.228 8.801 3.158 1.00 3.41 H new ATOM 0 HE1 TYR A 641 2.700 10.133 7.655 1.00 4.14 H new ATOM 0 HE2 TYR A 641 3.561 8.445 3.840 1.00 4.25 H new ATOM 0 HH TYR A 641 5.074 8.706 5.400 1.00 5.50 H new ATOM 307 N ASN A 642 0.525 12.061 2.204 1.00 2.55 N ATOM 308 CA ASN A 642 1.378 12.056 1.025 1.00 2.95 C ATOM 309 C ASN A 642 2.535 13.029 1.220 1.00 2.85 C ATOM 310 O ASN A 642 2.372 14.244 1.087 1.00 3.27 O ATOM 311 CB ASN A 642 0.582 12.426 -0.229 1.00 3.71 C ATOM 312 CG ASN A 642 1.426 12.406 -1.495 1.00 4.38 C ATOM 313 OD1 ASN A 642 1.181 13.178 -2.421 1.00 4.86 O ATOM 314 ND2 ASN A 642 2.418 11.523 -1.555 1.00 4.90 N ATOM 0 H ASN A 642 0.646 12.877 2.803 1.00 2.55 H new ATOM 0 HA ASN A 642 1.774 11.049 0.890 1.00 2.95 H new ATOM 0 HB2 ASN A 642 -0.250 11.731 -0.343 1.00 3.71 H new ATOM 0 HB3 ASN A 642 0.153 13.420 -0.100 1.00 3.71 H new ATOM 0 HD21 ASN A 642 3.004 11.471 -2.388 1.00 4.90 H new ATOM 0 HD22 ASN A 642 2.593 10.898 -0.768 1.00 4.90 H new ATOM 321 N THR A 643 3.697 12.491 1.554 1.00 2.87 N ATOM 322 CA THR A 643 4.870 13.305 1.823 1.00 3.35 C ATOM 323 C THR A 643 5.640 13.588 0.537 1.00 3.70 C ATOM 324 O THR A 643 5.877 14.745 0.180 1.00 4.43 O ATOM 325 CB THR A 643 5.810 12.600 2.819 1.00 4.03 C ATOM 326 OG1 THR A 643 5.036 11.862 3.772 1.00 4.46 O ATOM 327 CG2 THR A 643 6.690 13.606 3.546 1.00 4.33 C ATOM 0 H THR A 643 3.853 11.487 1.646 1.00 2.87 H new ATOM 0 HA THR A 643 4.523 14.244 2.254 1.00 3.35 H new ATOM 0 HB THR A 643 6.454 11.921 2.260 1.00 4.03 H new ATOM 0 HG1 THR A 643 4.672 11.058 3.346 1.00 4.46 H new ATOM 0 HG21 THR A 643 7.344 13.081 4.243 1.00 4.33 H new ATOM 0 HG22 THR A 643 7.295 14.151 2.821 1.00 4.33 H new ATOM 0 HG23 THR A 643 6.063 14.308 4.096 1.00 4.33 H new ATOM 335 N ALA A 644 6.016 12.527 -0.163 1.00 3.58 N ATOM 336 CA ALA A 644 6.823 12.646 -1.363 1.00 4.14 C ATOM 337 C ALA A 644 6.173 11.905 -2.516 1.00 5.22 C ATOM 338 O ALA A 644 5.590 10.840 -2.315 1.00 5.98 O ATOM 339 CB ALA A 644 8.221 12.100 -1.115 1.00 3.76 C ATOM 0 H ALA A 644 5.771 11.568 0.084 1.00 3.58 H new ATOM 0 HA ALA A 644 6.898 13.702 -1.624 1.00 4.14 H new ATOM 0 HB1 ALA A 644 8.815 12.196 -2.024 1.00 3.76 H new ATOM 0 HB2 ALA A 644 8.694 12.663 -0.311 1.00 3.76 H new ATOM 0 HB3 ALA A 644 8.156 11.049 -0.833 1.00 3.76 H new ATOM 345 N LEU A 645 6.270 12.484 -3.712 1.00 5.58 N ATOM 346 CA LEU A 645 5.752 11.865 -4.930 1.00 6.84 C ATOM 347 C LEU A 645 4.241 11.688 -4.857 1.00 7.35 C ATOM 348 O LEU A 645 3.734 10.679 -4.362 1.00 8.01 O ATOM 349 CB LEU A 645 6.447 10.526 -5.191 1.00 7.29 C ATOM 350 CG LEU A 645 7.934 10.635 -5.530 1.00 7.38 C ATOM 351 CD1 LEU A 645 8.596 9.270 -5.484 1.00 7.91 C ATOM 352 CD2 LEU A 645 8.123 11.268 -6.901 1.00 7.94 C ATOM 0 H LEU A 645 6.708 13.392 -3.863 1.00 5.58 H new ATOM 0 HA LEU A 645 5.968 12.531 -5.765 1.00 6.84 H new ATOM 0 HB2 LEU A 645 6.334 9.895 -4.309 1.00 7.29 H new ATOM 0 HB3 LEU A 645 5.937 10.021 -6.011 1.00 7.29 H new ATOM 0 HG LEU A 645 8.408 11.273 -4.784 1.00 7.38 H new ATOM 0 HD11 LEU A 645 9.654 9.370 -5.728 1.00 7.91 H new ATOM 0 HD12 LEU A 645 8.493 8.849 -4.484 1.00 7.91 H new ATOM 0 HD13 LEU A 645 8.118 8.609 -6.207 1.00 7.91 H new ATOM 0 HD21 LEU A 645 9.187 11.338 -7.126 1.00 7.94 H new ATOM 0 HD22 LEU A 645 7.632 10.654 -7.656 1.00 7.94 H new ATOM 0 HD23 LEU A 645 7.685 12.266 -6.904 1.00 7.94 H new ATOM 364 N GLU A 646 3.526 12.686 -5.344 1.00 7.22 N ATOM 365 CA GLU A 646 2.076 12.656 -5.346 1.00 7.76 C ATOM 366 C GLU A 646 1.562 11.711 -6.426 1.00 8.33 C ATOM 367 O GLU A 646 1.211 12.136 -7.528 1.00 8.43 O ATOM 368 CB GLU A 646 1.520 14.062 -5.561 1.00 7.59 C ATOM 369 CG GLU A 646 0.007 14.142 -5.482 1.00 7.98 C ATOM 370 CD GLU A 646 -0.507 15.531 -5.774 1.00 8.43 C ATOM 371 OE1 GLU A 646 -0.627 16.336 -4.829 1.00 8.62 O ATOM 372 OE2 GLU A 646 -0.788 15.828 -6.953 1.00 8.80 O ATOM 0 H GLU A 646 3.930 13.532 -5.746 1.00 7.22 H new ATOM 0 HA GLU A 646 1.735 12.289 -4.378 1.00 7.76 H new ATOM 0 HB2 GLU A 646 1.949 14.730 -4.814 1.00 7.59 H new ATOM 0 HB3 GLU A 646 1.843 14.425 -6.537 1.00 7.59 H new ATOM 0 HG2 GLU A 646 -0.430 13.438 -6.191 1.00 7.98 H new ATOM 0 HG3 GLU A 646 -0.320 13.837 -4.488 1.00 7.98 H new ATOM 379 N MET A 647 1.547 10.427 -6.114 1.00 8.91 N ATOM 380 CA MET A 647 0.994 9.434 -7.014 1.00 9.60 C ATOM 381 C MET A 647 -0.523 9.433 -6.891 1.00 9.81 C ATOM 382 O MET A 647 -1.220 9.895 -7.792 1.00 10.24 O ATOM 383 CB MET A 647 1.562 8.049 -6.700 1.00 10.34 C ATOM 384 CG MET A 647 1.071 6.955 -7.635 1.00 10.82 C ATOM 385 SD MET A 647 1.718 5.329 -7.198 1.00 11.51 S ATOM 386 CE MET A 647 3.481 5.602 -7.379 1.00 12.08 C ATOM 0 H MET A 647 1.913 10.048 -5.241 1.00 8.91 H new ATOM 0 HA MET A 647 1.270 9.684 -8.039 1.00 9.60 H new ATOM 0 HB2 MET A 647 2.650 8.094 -6.749 1.00 10.34 H new ATOM 0 HB3 MET A 647 1.299 7.783 -5.676 1.00 10.34 H new ATOM 0 HG2 MET A 647 -0.018 6.926 -7.614 1.00 10.82 H new ATOM 0 HG3 MET A 647 1.364 7.196 -8.657 1.00 10.82 H new ATOM 0 HE1 MET A 647 3.985 4.645 -7.513 1.00 12.08 H new ATOM 0 HE2 MET A 647 3.664 6.234 -8.248 1.00 12.08 H new ATOM 0 HE3 MET A 647 3.867 6.093 -6.486 1.00 12.08 H new ATOM 396 N THR A 648 -1.015 8.945 -5.749 1.00 9.65 N ATOM 397 CA THR A 648 -2.445 8.937 -5.447 1.00 9.89 C ATOM 398 C THR A 648 -3.266 8.412 -6.629 1.00 10.52 C ATOM 399 O THR A 648 -4.004 9.165 -7.271 1.00 10.68 O ATOM 400 CB THR A 648 -2.921 10.353 -5.066 1.00 9.58 C ATOM 401 OG1 THR A 648 -1.950 10.967 -4.206 1.00 9.43 O ATOM 402 CG2 THR A 648 -4.265 10.308 -4.354 1.00 9.40 C ATOM 0 H THR A 648 -0.434 8.546 -5.012 1.00 9.65 H new ATOM 0 HA THR A 648 -2.599 8.266 -4.602 1.00 9.89 H new ATOM 0 HB THR A 648 -3.035 10.934 -5.981 1.00 9.58 H new ATOM 0 HG1 THR A 648 -2.250 11.868 -3.964 1.00 9.43 H new ATOM 0 HG21 THR A 648 -4.575 11.321 -4.098 1.00 9.40 H new ATOM 0 HG22 THR A 648 -5.009 9.856 -5.010 1.00 9.40 H new ATOM 0 HG23 THR A 648 -4.175 9.715 -3.444 1.00 9.40 H new ATOM 410 N ASP A 649 -3.131 7.122 -6.913 1.00 11.04 N ATOM 411 CA ASP A 649 -3.794 6.526 -8.067 1.00 11.77 C ATOM 412 C ASP A 649 -5.280 6.354 -7.789 1.00 11.96 C ATOM 413 O ASP A 649 -5.705 5.356 -7.210 1.00 12.46 O ATOM 414 CB ASP A 649 -3.173 5.174 -8.429 1.00 12.46 C ATOM 415 CG ASP A 649 -3.580 4.708 -9.816 1.00 13.07 C ATOM 416 OD1 ASP A 649 -4.634 4.053 -9.957 1.00 13.39 O ATOM 417 OD2 ASP A 649 -2.835 5.002 -10.781 1.00 13.37 O ATOM 0 H ASP A 649 -2.571 6.471 -6.363 1.00 11.04 H new ATOM 0 HA ASP A 649 -3.660 7.200 -8.913 1.00 11.77 H new ATOM 0 HB2 ASP A 649 -2.087 5.250 -8.377 1.00 12.46 H new ATOM 0 HB3 ASP A 649 -3.476 4.429 -7.694 1.00 12.46 H new ATOM 422 N CYS A 650 -6.063 7.343 -8.182 1.00 11.69 N ATOM 423 CA CYS A 650 -7.501 7.299 -7.987 1.00 11.94 C ATOM 424 C CYS A 650 -8.160 6.460 -9.079 1.00 12.07 C ATOM 425 O CYS A 650 -8.903 6.982 -9.914 1.00 12.15 O ATOM 426 CB CYS A 650 -8.073 8.718 -7.974 1.00 11.96 C ATOM 427 SG CYS A 650 -7.270 9.812 -6.779 1.00 12.13 S ATOM 0 H CYS A 650 -5.725 8.190 -8.640 1.00 11.69 H new ATOM 0 HA CYS A 650 -7.713 6.832 -7.025 1.00 11.94 H new ATOM 0 HB2 CYS A 650 -7.976 9.149 -8.971 1.00 11.96 H new ATOM 0 HB3 CYS A 650 -9.139 8.669 -7.750 1.00 11.96 H new ATOM 0 HG CYS A 650 -5.980 9.745 -6.927 1.00 12.13 H new ATOM 433 N ASP A 651 -7.848 5.164 -9.074 1.00 12.25 N ATOM 434 CA ASP A 651 -8.397 4.208 -10.038 1.00 12.49 C ATOM 435 C ASP A 651 -8.021 4.593 -11.469 1.00 12.81 C ATOM 436 O ASP A 651 -8.841 5.102 -12.239 1.00 12.82 O ATOM 437 CB ASP A 651 -9.923 4.089 -9.889 1.00 12.51 C ATOM 438 CG ASP A 651 -10.550 3.176 -10.928 1.00 12.95 C ATOM 439 OD1 ASP A 651 -11.546 3.577 -11.562 1.00 13.19 O ATOM 440 OD2 ASP A 651 -10.042 2.047 -11.114 1.00 13.19 O ATOM 0 H ASP A 651 -7.206 4.746 -8.400 1.00 12.25 H new ATOM 0 HA ASP A 651 -7.959 3.233 -9.825 1.00 12.49 H new ATOM 0 HB2 ASP A 651 -10.157 3.712 -8.893 1.00 12.51 H new ATOM 0 HB3 ASP A 651 -10.369 5.081 -9.968 1.00 12.51 H new ATOM 445 N GLU A 652 -6.763 4.374 -11.813 1.00 13.23 N ATOM 446 CA GLU A 652 -6.299 4.602 -13.172 1.00 13.69 C ATOM 447 C GLU A 652 -6.070 3.271 -13.877 1.00 13.73 C ATOM 448 O GLU A 652 -5.031 2.632 -13.700 1.00 14.19 O ATOM 449 CB GLU A 652 -5.016 5.426 -13.167 1.00 14.37 C ATOM 450 CG GLU A 652 -4.467 5.706 -14.554 1.00 14.63 C ATOM 451 CD GLU A 652 -3.129 6.399 -14.509 1.00 15.07 C ATOM 452 OE1 GLU A 652 -3.100 7.647 -14.496 1.00 15.16 O ATOM 453 OE2 GLU A 652 -2.096 5.702 -14.480 1.00 15.45 O ATOM 0 H GLU A 652 -6.045 4.039 -11.171 1.00 13.23 H new ATOM 0 HA GLU A 652 -7.064 5.159 -13.712 1.00 13.69 H new ATOM 0 HB2 GLU A 652 -5.205 6.373 -12.662 1.00 14.37 H new ATOM 0 HB3 GLU A 652 -4.259 4.900 -12.585 1.00 14.37 H new ATOM 0 HG2 GLU A 652 -4.370 4.768 -15.100 1.00 14.63 H new ATOM 0 HG3 GLU A 652 -5.176 6.324 -15.105 1.00 14.63 H new ATOM 460 N GLY A 653 -7.050 2.851 -14.665 1.00 13.37 N ATOM 461 CA GLY A 653 -6.960 1.579 -15.353 1.00 13.46 C ATOM 462 C GLY A 653 -7.230 0.410 -14.430 1.00 12.98 C ATOM 463 O GLY A 653 -6.888 -0.731 -14.741 1.00 13.22 O ATOM 0 H GLY A 653 -7.910 3.371 -14.841 1.00 13.37 H new ATOM 0 HA2 GLY A 653 -7.674 1.562 -16.177 1.00 13.46 H new ATOM 0 HA3 GLY A 653 -5.967 1.473 -15.790 1.00 13.46 H new ATOM 467 N GLY A 654 -7.856 0.694 -13.298 1.00 12.43 N ATOM 468 CA GLY A 654 -8.113 -0.332 -12.312 1.00 12.06 C ATOM 469 C GLY A 654 -9.418 -1.056 -12.558 1.00 11.36 C ATOM 470 O GLY A 654 -9.461 -2.014 -13.335 1.00 11.43 O ATOM 0 H GLY A 654 -8.192 1.623 -13.045 1.00 12.43 H new ATOM 0 HA2 GLY A 654 -7.295 -1.052 -12.319 1.00 12.06 H new ATOM 0 HA3 GLY A 654 -8.132 0.119 -11.320 1.00 12.06 H new ATOM 474 N GLU A 655 -10.479 -0.578 -11.915 1.00 10.85 N ATOM 475 CA GLU A 655 -11.798 -1.200 -12.001 1.00 10.24 C ATOM 476 C GLU A 655 -11.770 -2.656 -11.553 1.00 9.73 C ATOM 477 O GLU A 655 -11.810 -3.572 -12.377 1.00 9.57 O ATOM 478 CB GLU A 655 -12.355 -1.107 -13.419 1.00 10.26 C ATOM 479 CG GLU A 655 -12.745 0.297 -13.838 1.00 10.19 C ATOM 480 CD GLU A 655 -13.435 0.313 -15.180 1.00 10.69 C ATOM 481 OE1 GLU A 655 -12.797 0.692 -16.182 1.00 10.96 O ATOM 482 OE2 GLU A 655 -14.624 -0.068 -15.244 1.00 10.98 O ATOM 0 H GLU A 655 -10.450 0.250 -11.320 1.00 10.85 H new ATOM 0 HA GLU A 655 -12.451 -0.649 -11.324 1.00 10.24 H new ATOM 0 HB2 GLU A 655 -11.610 -1.489 -14.117 1.00 10.26 H new ATOM 0 HB3 GLU A 655 -13.228 -1.755 -13.498 1.00 10.26 H new ATOM 0 HG2 GLU A 655 -13.404 0.730 -13.086 1.00 10.19 H new ATOM 0 HG3 GLU A 655 -11.854 0.924 -13.880 1.00 10.19 H new ATOM 489 N TYR A 656 -11.717 -2.868 -10.246 1.00 9.64 N ATOM 490 CA TYR A 656 -11.697 -4.215 -9.699 1.00 9.25 C ATOM 491 C TYR A 656 -12.090 -4.196 -8.221 1.00 8.16 C ATOM 492 O TYR A 656 -11.508 -4.899 -7.397 1.00 8.22 O ATOM 493 CB TYR A 656 -10.307 -4.832 -9.886 1.00 10.13 C ATOM 494 CG TYR A 656 -10.306 -6.344 -9.991 1.00 10.38 C ATOM 495 CD1 TYR A 656 -10.606 -6.979 -11.188 1.00 10.66 C ATOM 496 CD2 TYR A 656 -10.011 -7.136 -8.887 1.00 10.57 C ATOM 497 CE1 TYR A 656 -10.612 -8.357 -11.283 1.00 11.10 C ATOM 498 CE2 TYR A 656 -10.014 -8.515 -8.977 1.00 10.97 C ATOM 499 CZ TYR A 656 -10.293 -9.119 -10.192 1.00 11.23 C ATOM 500 OH TYR A 656 -10.326 -10.495 -10.268 1.00 11.80 O ATOM 0 H TYR A 656 -11.687 -2.126 -9.547 1.00 9.64 H new ATOM 0 HA TYR A 656 -12.424 -4.827 -10.233 1.00 9.25 H new ATOM 0 HB2 TYR A 656 -9.856 -4.416 -10.787 1.00 10.13 H new ATOM 0 HB3 TYR A 656 -9.675 -4.537 -9.048 1.00 10.13 H new ATOM 0 HD1 TYR A 656 -10.839 -6.386 -12.060 1.00 10.66 H new ATOM 0 HD2 TYR A 656 -9.776 -6.666 -7.944 1.00 10.57 H new ATOM 0 HE1 TYR A 656 -10.868 -8.833 -12.218 1.00 11.10 H new ATOM 0 HE2 TYR A 656 -9.800 -9.117 -8.106 1.00 10.97 H new ATOM 0 HH TYR A 656 -10.070 -10.877 -9.402 1.00 11.80 H new ATOM 510 N ASP A 657 -13.085 -3.380 -7.896 1.00 7.39 N ATOM 511 CA ASP A 657 -13.625 -3.320 -6.539 1.00 6.44 C ATOM 512 C ASP A 657 -14.445 -4.576 -6.265 1.00 6.09 C ATOM 513 O ASP A 657 -15.672 -4.580 -6.388 1.00 6.31 O ATOM 514 CB ASP A 657 -14.487 -2.060 -6.361 1.00 6.14 C ATOM 515 CG ASP A 657 -15.130 -1.949 -4.987 1.00 5.90 C ATOM 516 OD1 ASP A 657 -16.348 -2.213 -4.877 1.00 5.94 O ATOM 517 OD2 ASP A 657 -14.432 -1.582 -4.020 1.00 6.00 O ATOM 0 H ASP A 657 -13.538 -2.747 -8.555 1.00 7.39 H new ATOM 0 HA ASP A 657 -12.803 -3.269 -5.825 1.00 6.44 H new ATOM 0 HB2 ASP A 657 -13.868 -1.180 -6.535 1.00 6.14 H new ATOM 0 HB3 ASP A 657 -15.269 -2.055 -7.120 1.00 6.14 H new ATOM 522 N GLY A 658 -13.751 -5.660 -5.955 1.00 5.88 N ATOM 523 CA GLY A 658 -14.421 -6.915 -5.687 1.00 5.75 C ATOM 524 C GLY A 658 -13.971 -7.572 -4.398 1.00 4.80 C ATOM 525 O GLY A 658 -14.700 -8.390 -3.835 1.00 5.02 O ATOM 0 H GLY A 658 -12.734 -5.693 -5.884 1.00 5.88 H new ATOM 0 HA2 GLY A 658 -15.496 -6.742 -5.642 1.00 5.75 H new ATOM 0 HA3 GLY A 658 -14.242 -7.599 -6.517 1.00 5.75 H new ATOM 529 N MET A 659 -12.782 -7.201 -3.922 1.00 3.98 N ATOM 530 CA MET A 659 -12.186 -7.810 -2.730 1.00 3.13 C ATOM 531 C MET A 659 -12.025 -9.319 -2.899 1.00 2.86 C ATOM 532 O MET A 659 -12.933 -10.102 -2.600 1.00 2.97 O ATOM 533 CB MET A 659 -13.009 -7.488 -1.477 1.00 2.88 C ATOM 534 CG MET A 659 -12.553 -8.247 -0.236 1.00 2.45 C ATOM 535 SD MET A 659 -10.813 -7.978 0.153 1.00 2.41 S ATOM 536 CE MET A 659 -10.570 -9.185 1.453 1.00 2.25 C ATOM 0 H MET A 659 -12.207 -6.474 -4.348 1.00 3.98 H new ATOM 0 HA MET A 659 -11.192 -7.380 -2.603 1.00 3.13 H new ATOM 0 HB2 MET A 659 -12.951 -6.418 -1.280 1.00 2.88 H new ATOM 0 HB3 MET A 659 -14.056 -7.720 -1.671 1.00 2.88 H new ATOM 0 HG2 MET A 659 -13.162 -7.941 0.615 1.00 2.45 H new ATOM 0 HG3 MET A 659 -12.726 -9.313 -0.384 1.00 2.45 H new ATOM 0 HE1 MET A 659 -9.538 -9.142 1.801 1.00 2.25 H new ATOM 0 HE2 MET A 659 -11.242 -8.966 2.283 1.00 2.25 H new ATOM 0 HE3 MET A 659 -10.782 -10.182 1.068 1.00 2.25 H new ATOM 546 N GLN A 660 -10.870 -9.718 -3.405 1.00 3.00 N ATOM 547 CA GLN A 660 -10.541 -11.129 -3.541 1.00 3.07 C ATOM 548 C GLN A 660 -10.491 -11.783 -2.169 1.00 2.63 C ATOM 549 O GLN A 660 -10.039 -11.179 -1.195 1.00 3.22 O ATOM 550 CB GLN A 660 -9.198 -11.317 -4.257 1.00 3.99 C ATOM 551 CG GLN A 660 -9.195 -10.857 -5.708 1.00 4.68 C ATOM 552 CD GLN A 660 -9.041 -9.357 -5.852 1.00 5.55 C ATOM 553 OE1 GLN A 660 -10.022 -8.613 -5.845 1.00 6.02 O ATOM 554 NE2 GLN A 660 -7.805 -8.908 -6.000 1.00 6.10 N ATOM 0 H GLN A 660 -10.141 -9.083 -3.730 1.00 3.00 H new ATOM 0 HA GLN A 660 -11.317 -11.603 -4.142 1.00 3.07 H new ATOM 0 HB2 GLN A 660 -8.429 -10.769 -3.712 1.00 3.99 H new ATOM 0 HB3 GLN A 660 -8.924 -12.371 -4.221 1.00 3.99 H new ATOM 0 HG2 GLN A 660 -8.383 -11.353 -6.239 1.00 4.68 H new ATOM 0 HG3 GLN A 660 -10.124 -11.169 -6.184 1.00 4.68 H new ATOM 0 HE21 GLN A 660 -7.022 -9.561 -6.000 1.00 6.10 H new ATOM 0 HE22 GLN A 660 -7.636 -7.909 -6.114 1.00 6.10 H new ATOM 563 N ASP A 661 -10.970 -13.022 -2.104 1.00 2.13 N ATOM 564 CA ASP A 661 -11.033 -13.763 -0.847 1.00 2.09 C ATOM 565 C ASP A 661 -9.644 -13.975 -0.278 1.00 1.75 C ATOM 566 O ASP A 661 -9.468 -14.101 0.932 1.00 1.98 O ATOM 567 CB ASP A 661 -11.728 -15.113 -1.043 1.00 2.69 C ATOM 568 CG ASP A 661 -13.215 -14.969 -1.278 1.00 3.26 C ATOM 569 OD1 ASP A 661 -13.991 -15.063 -0.303 1.00 3.86 O ATOM 570 OD2 ASP A 661 -13.620 -14.770 -2.443 1.00 3.59 O ATOM 0 H ASP A 661 -11.322 -13.537 -2.911 1.00 2.13 H new ATOM 0 HA ASP A 661 -11.615 -13.171 -0.141 1.00 2.09 H new ATOM 0 HB2 ASP A 661 -11.278 -15.630 -1.890 1.00 2.69 H new ATOM 0 HB3 ASP A 661 -11.561 -15.735 -0.164 1.00 2.69 H new ATOM 575 N GLU A 662 -8.667 -14.018 -1.164 1.00 1.44 N ATOM 576 CA GLU A 662 -7.275 -14.091 -0.768 1.00 1.24 C ATOM 577 C GLU A 662 -6.628 -12.730 -0.991 1.00 1.00 C ATOM 578 O GLU A 662 -6.547 -12.260 -2.128 1.00 1.01 O ATOM 579 CB GLU A 662 -6.553 -15.162 -1.583 1.00 1.40 C ATOM 580 CG GLU A 662 -7.202 -16.530 -1.481 1.00 1.93 C ATOM 581 CD GLU A 662 -6.522 -17.560 -2.348 1.00 2.45 C ATOM 582 OE1 GLU A 662 -5.624 -18.266 -1.847 1.00 2.64 O ATOM 583 OE2 GLU A 662 -6.888 -17.682 -3.534 1.00 3.19 O ATOM 0 H GLU A 662 -8.815 -14.003 -2.173 1.00 1.44 H new ATOM 0 HA GLU A 662 -7.205 -14.359 0.286 1.00 1.24 H new ATOM 0 HB2 GLU A 662 -6.526 -14.857 -2.629 1.00 1.40 H new ATOM 0 HB3 GLU A 662 -5.519 -15.231 -1.245 1.00 1.40 H new ATOM 0 HG2 GLU A 662 -7.180 -16.862 -0.443 1.00 1.93 H new ATOM 0 HG3 GLU A 662 -8.251 -16.453 -1.769 1.00 1.93 H new ATOM 590 N PRO A 663 -6.172 -12.068 0.082 1.00 0.86 N ATOM 591 CA PRO A 663 -5.669 -10.698 -0.011 1.00 0.68 C ATOM 592 C PRO A 663 -4.366 -10.613 -0.802 1.00 0.57 C ATOM 593 O PRO A 663 -3.357 -11.225 -0.443 1.00 0.62 O ATOM 594 CB PRO A 663 -5.445 -10.300 1.451 1.00 0.69 C ATOM 595 CG PRO A 663 -5.238 -11.590 2.172 1.00 0.86 C ATOM 596 CD PRO A 663 -6.092 -12.603 1.455 1.00 0.97 C ATOM 0 HA PRO A 663 -6.361 -10.042 -0.539 1.00 0.68 H new ATOM 0 HB2 PRO A 663 -4.579 -9.646 1.554 1.00 0.69 H new ATOM 0 HB3 PRO A 663 -6.303 -9.758 1.849 1.00 0.69 H new ATOM 0 HG2 PRO A 663 -4.188 -11.883 2.156 1.00 0.86 H new ATOM 0 HG3 PRO A 663 -5.529 -11.504 3.219 1.00 0.86 H new ATOM 0 HD2 PRO A 663 -5.641 -13.595 1.475 1.00 0.97 H new ATOM 0 HD3 PRO A 663 -7.078 -12.692 1.910 1.00 0.97 H new ATOM 604 N ARG A 664 -4.389 -9.827 -1.871 1.00 0.52 N ATOM 605 CA ARG A 664 -3.227 -9.676 -2.740 1.00 0.49 C ATOM 606 C ARG A 664 -2.199 -8.735 -2.111 1.00 0.35 C ATOM 607 O ARG A 664 -0.988 -8.939 -2.232 1.00 0.34 O ATOM 608 CB ARG A 664 -3.674 -9.164 -4.124 1.00 0.65 C ATOM 609 CG ARG A 664 -2.537 -8.977 -5.120 1.00 1.17 C ATOM 610 CD ARG A 664 -3.045 -8.799 -6.552 1.00 1.16 C ATOM 611 NE ARG A 664 -3.749 -7.528 -6.772 1.00 1.69 N ATOM 612 CZ ARG A 664 -3.247 -6.512 -7.484 1.00 2.17 C ATOM 613 NH1 ARG A 664 -2.000 -6.566 -7.936 1.00 2.20 N ATOM 614 NH2 ARG A 664 -3.990 -5.441 -7.738 1.00 3.16 N ATOM 0 H ARG A 664 -5.202 -9.282 -2.158 1.00 0.52 H new ATOM 0 HA ARG A 664 -2.750 -10.648 -2.866 1.00 0.49 H new ATOM 0 HB2 ARG A 664 -4.396 -9.865 -4.542 1.00 0.65 H new ATOM 0 HB3 ARG A 664 -4.190 -8.213 -3.997 1.00 0.65 H new ATOM 0 HG2 ARG A 664 -1.947 -8.106 -4.835 1.00 1.17 H new ATOM 0 HG3 ARG A 664 -1.873 -9.840 -5.077 1.00 1.17 H new ATOM 0 HD2 ARG A 664 -2.201 -8.861 -7.239 1.00 1.16 H new ATOM 0 HD3 ARG A 664 -3.715 -9.623 -6.796 1.00 1.16 H new ATOM 0 HE ARG A 664 -4.674 -7.413 -6.358 1.00 1.69 H new ATOM 0 HH11 ARG A 664 -1.422 -7.383 -7.741 1.00 2.20 H new ATOM 0 HH12 ARG A 664 -1.620 -5.790 -8.478 1.00 2.20 H new ATOM 0 HH21 ARG A 664 -4.947 -5.390 -7.390 1.00 3.16 H new ATOM 0 HH22 ARG A 664 -3.603 -4.669 -8.281 1.00 3.16 H new ATOM 628 N TYR A 665 -2.692 -7.736 -1.388 1.00 0.30 N ATOM 629 CA TYR A 665 -1.834 -6.695 -0.834 1.00 0.25 C ATOM 630 C TYR A 665 -0.869 -7.242 0.214 1.00 0.22 C ATOM 631 O TYR A 665 0.255 -6.765 0.333 1.00 0.22 O ATOM 632 CB TYR A 665 -2.677 -5.546 -0.254 1.00 0.27 C ATOM 633 CG TYR A 665 -3.726 -5.952 0.763 1.00 0.35 C ATOM 634 CD1 TYR A 665 -5.057 -6.120 0.400 1.00 0.48 C ATOM 635 CD2 TYR A 665 -3.377 -6.194 2.084 1.00 0.42 C ATOM 636 CE1 TYR A 665 -6.006 -6.512 1.324 1.00 0.62 C ATOM 637 CE2 TYR A 665 -4.321 -6.584 3.013 1.00 0.56 C ATOM 638 CZ TYR A 665 -5.668 -6.652 2.626 1.00 0.64 C ATOM 639 OH TYR A 665 -6.570 -7.132 3.553 1.00 0.81 O ATOM 0 H TYR A 665 -3.683 -7.625 -1.172 1.00 0.30 H new ATOM 0 HA TYR A 665 -1.230 -6.305 -1.653 1.00 0.25 H new ATOM 0 HB2 TYR A 665 -2.005 -4.825 0.212 1.00 0.27 H new ATOM 0 HB3 TYR A 665 -3.174 -5.033 -1.077 1.00 0.27 H new ATOM 0 HD1 TYR A 665 -5.355 -5.941 -0.623 1.00 0.48 H new ATOM 0 HD2 TYR A 665 -2.348 -6.075 2.391 1.00 0.42 H new ATOM 0 HE1 TYR A 665 -7.020 -6.707 1.006 1.00 0.62 H new ATOM 0 HE2 TYR A 665 -4.027 -6.833 4.022 1.00 0.56 H new ATOM 0 HH TYR A 665 -6.146 -7.163 4.436 1.00 0.81 H new ATOM 649 N MET A 666 -1.292 -8.265 0.943 1.00 0.25 N ATOM 650 CA MET A 666 -0.471 -8.820 2.014 1.00 0.28 C ATOM 651 C MET A 666 0.730 -9.565 1.454 1.00 0.25 C ATOM 652 O MET A 666 1.835 -9.457 1.982 1.00 0.25 O ATOM 653 CB MET A 666 -1.298 -9.740 2.914 1.00 0.37 C ATOM 654 CG MET A 666 -2.139 -8.990 3.937 1.00 0.48 C ATOM 655 SD MET A 666 -3.189 -10.082 4.913 1.00 1.17 S ATOM 656 CE MET A 666 -3.927 -8.909 6.050 1.00 1.14 C ATOM 0 H MET A 666 -2.193 -8.726 0.815 1.00 0.25 H new ATOM 0 HA MET A 666 -0.105 -7.988 2.615 1.00 0.28 H new ATOM 0 HB2 MET A 666 -1.954 -10.350 2.293 1.00 0.37 H new ATOM 0 HB3 MET A 666 -0.628 -10.423 3.436 1.00 0.37 H new ATOM 0 HG2 MET A 666 -1.481 -8.434 4.605 1.00 0.48 H new ATOM 0 HG3 MET A 666 -2.762 -8.259 3.422 1.00 0.48 H new ATOM 0 HE1 MET A 666 -4.357 -9.444 6.897 1.00 1.14 H new ATOM 0 HE2 MET A 666 -3.163 -8.218 6.407 1.00 1.14 H new ATOM 0 HE3 MET A 666 -4.711 -8.350 5.538 1.00 1.14 H new ATOM 666 N MET A 667 0.524 -10.294 0.364 1.00 0.26 N ATOM 667 CA MET A 667 1.608 -11.047 -0.252 1.00 0.27 C ATOM 668 C MET A 667 2.596 -10.072 -0.884 1.00 0.23 C ATOM 669 O MET A 667 3.816 -10.210 -0.733 1.00 0.23 O ATOM 670 CB MET A 667 1.051 -12.024 -1.299 1.00 0.34 C ATOM 671 CG MET A 667 2.024 -13.128 -1.718 1.00 0.47 C ATOM 672 SD MET A 667 3.368 -12.551 -2.776 1.00 1.20 S ATOM 673 CE MET A 667 2.487 -12.221 -4.300 1.00 1.10 C ATOM 0 H MET A 667 -0.376 -10.379 -0.108 1.00 0.26 H new ATOM 0 HA MET A 667 2.126 -11.634 0.507 1.00 0.27 H new ATOM 0 HB2 MET A 667 0.147 -12.486 -0.902 1.00 0.34 H new ATOM 0 HB3 MET A 667 0.758 -11.460 -2.185 1.00 0.34 H new ATOM 0 HG2 MET A 667 2.448 -13.584 -0.824 1.00 0.47 H new ATOM 0 HG3 MET A 667 1.471 -13.908 -2.242 1.00 0.47 H new ATOM 0 HE1 MET A 667 2.951 -11.379 -4.813 1.00 1.10 H new ATOM 0 HE2 MET A 667 2.525 -13.102 -4.941 1.00 1.10 H new ATOM 0 HE3 MET A 667 1.448 -11.981 -4.075 1.00 1.10 H new ATOM 683 N LEU A 668 2.054 -9.058 -1.553 1.00 0.21 N ATOM 684 CA LEU A 668 2.876 -8.019 -2.175 1.00 0.19 C ATOM 685 C LEU A 668 3.654 -7.242 -1.118 1.00 0.17 C ATOM 686 O LEU A 668 4.814 -6.876 -1.330 1.00 0.17 O ATOM 687 CB LEU A 668 2.012 -7.055 -3.002 1.00 0.21 C ATOM 688 CG LEU A 668 1.716 -7.485 -4.448 1.00 0.30 C ATOM 689 CD1 LEU A 668 1.136 -8.887 -4.508 1.00 0.82 C ATOM 690 CD2 LEU A 668 0.762 -6.501 -5.102 1.00 0.80 C ATOM 0 H LEU A 668 1.050 -8.932 -1.679 1.00 0.21 H new ATOM 0 HA LEU A 668 3.583 -8.511 -2.843 1.00 0.19 H new ATOM 0 HB2 LEU A 668 1.063 -6.915 -2.485 1.00 0.21 H new ATOM 0 HB3 LEU A 668 2.508 -6.085 -3.027 1.00 0.21 H new ATOM 0 HG LEU A 668 2.661 -7.490 -4.992 1.00 0.30 H new ATOM 0 HD11 LEU A 668 0.940 -9.156 -5.546 1.00 0.82 H new ATOM 0 HD12 LEU A 668 1.846 -9.593 -4.078 1.00 0.82 H new ATOM 0 HD13 LEU A 668 0.205 -8.920 -3.943 1.00 0.82 H new ATOM 0 HD21 LEU A 668 0.560 -6.816 -6.126 1.00 0.80 H new ATOM 0 HD22 LEU A 668 -0.172 -6.471 -4.540 1.00 0.80 H new ATOM 0 HD23 LEU A 668 1.212 -5.508 -5.110 1.00 0.80 H new ATOM 702 N ALA A 669 3.036 -7.027 0.038 1.00 0.18 N ATOM 703 CA ALA A 669 3.678 -6.284 1.109 1.00 0.19 C ATOM 704 C ALA A 669 4.697 -7.161 1.817 1.00 0.20 C ATOM 705 O ALA A 669 5.703 -6.673 2.329 1.00 0.22 O ATOM 706 CB ALA A 669 2.645 -5.775 2.097 1.00 0.23 C ATOM 0 H ALA A 669 2.095 -7.356 0.254 1.00 0.18 H new ATOM 0 HA ALA A 669 4.193 -5.426 0.676 1.00 0.19 H new ATOM 0 HB1 ALA A 669 3.144 -5.221 2.892 1.00 0.23 H new ATOM 0 HB2 ALA A 669 1.942 -5.119 1.583 1.00 0.23 H new ATOM 0 HB3 ALA A 669 2.105 -6.619 2.526 1.00 0.23 H new ATOM 712 N ARG A 670 4.425 -8.459 1.850 1.00 0.22 N ATOM 713 CA ARG A 670 5.356 -9.424 2.411 1.00 0.26 C ATOM 714 C ARG A 670 6.651 -9.431 1.611 1.00 0.23 C ATOM 715 O ARG A 670 7.745 -9.381 2.181 1.00 0.25 O ATOM 716 CB ARG A 670 4.733 -10.821 2.428 1.00 0.33 C ATOM 717 CG ARG A 670 5.671 -11.905 2.931 1.00 0.41 C ATOM 718 CD ARG A 670 4.945 -13.224 3.113 1.00 0.83 C ATOM 719 NE ARG A 670 3.889 -13.123 4.118 1.00 1.62 N ATOM 720 CZ ARG A 670 3.100 -14.132 4.476 1.00 2.33 C ATOM 721 NH1 ARG A 670 3.236 -15.322 3.908 1.00 2.41 N ATOM 722 NH2 ARG A 670 2.176 -13.944 5.408 1.00 3.33 N ATOM 0 H ARG A 670 3.562 -8.868 1.492 1.00 0.22 H new ATOM 0 HA ARG A 670 5.581 -9.134 3.438 1.00 0.26 H new ATOM 0 HB2 ARG A 670 3.843 -10.804 3.056 1.00 0.33 H new ATOM 0 HB3 ARG A 670 4.407 -11.075 1.420 1.00 0.33 H new ATOM 0 HG2 ARG A 670 6.492 -12.034 2.226 1.00 0.41 H new ATOM 0 HG3 ARG A 670 6.111 -11.596 3.879 1.00 0.41 H new ATOM 0 HD2 ARG A 670 4.514 -13.537 2.162 1.00 0.83 H new ATOM 0 HD3 ARG A 670 5.657 -13.994 3.409 1.00 0.83 H new ATOM 0 HE ARG A 670 3.748 -12.221 4.574 1.00 1.62 H new ATOM 0 HH11 ARG A 670 3.948 -15.467 3.193 1.00 2.41 H new ATOM 0 HH12 ARG A 670 2.628 -16.092 4.186 1.00 2.41 H new ATOM 0 HH21 ARG A 670 2.073 -13.029 5.847 1.00 3.33 H new ATOM 0 HH22 ARG A 670 1.568 -14.714 5.686 1.00 3.33 H new ATOM 736 N GLU A 671 6.529 -9.465 0.287 1.00 0.22 N ATOM 737 CA GLU A 671 7.703 -9.417 -0.568 1.00 0.23 C ATOM 738 C GLU A 671 8.394 -8.069 -0.416 1.00 0.19 C ATOM 739 O GLU A 671 9.620 -7.996 -0.336 1.00 0.21 O ATOM 740 CB GLU A 671 7.339 -9.678 -2.033 1.00 0.30 C ATOM 741 CG GLU A 671 8.558 -9.729 -2.942 1.00 0.38 C ATOM 742 CD GLU A 671 8.234 -10.160 -4.357 1.00 0.99 C ATOM 743 OE1 GLU A 671 8.350 -9.324 -5.275 1.00 1.89 O ATOM 744 OE2 GLU A 671 7.826 -11.325 -4.550 1.00 1.11 O ATOM 0 H GLU A 671 5.640 -9.525 -0.209 1.00 0.22 H new ATOM 0 HA GLU A 671 8.388 -10.206 -0.258 1.00 0.23 H new ATOM 0 HB2 GLU A 671 6.797 -10.621 -2.106 1.00 0.30 H new ATOM 0 HB3 GLU A 671 6.665 -8.895 -2.380 1.00 0.30 H new ATOM 0 HG2 GLU A 671 9.025 -8.744 -2.968 1.00 0.38 H new ATOM 0 HG3 GLU A 671 9.289 -10.417 -2.519 1.00 0.38 H new ATOM 751 N ALA A 672 7.599 -7.004 -0.355 1.00 0.17 N ATOM 752 CA ALA A 672 8.130 -5.668 -0.110 1.00 0.18 C ATOM 753 C ALA A 672 8.924 -5.627 1.193 1.00 0.20 C ATOM 754 O ALA A 672 9.988 -5.014 1.269 1.00 0.23 O ATOM 755 CB ALA A 672 7.004 -4.648 -0.075 1.00 0.21 C ATOM 0 H ALA A 672 6.586 -7.041 -0.472 1.00 0.17 H new ATOM 0 HA ALA A 672 8.805 -5.416 -0.928 1.00 0.18 H new ATOM 0 HB1 ALA A 672 7.417 -3.656 0.109 1.00 0.21 H new ATOM 0 HB2 ALA A 672 6.480 -4.651 -1.031 1.00 0.21 H new ATOM 0 HB3 ALA A 672 6.306 -4.904 0.722 1.00 0.21 H new ATOM 761 N GLU A 673 8.402 -6.299 2.211 1.00 0.22 N ATOM 762 CA GLU A 673 9.060 -6.379 3.505 1.00 0.28 C ATOM 763 C GLU A 673 10.394 -7.108 3.379 1.00 0.28 C ATOM 764 O GLU A 673 11.411 -6.669 3.925 1.00 0.31 O ATOM 765 CB GLU A 673 8.157 -7.108 4.499 1.00 0.34 C ATOM 766 CG GLU A 673 8.698 -7.140 5.915 1.00 0.70 C ATOM 767 CD GLU A 673 7.873 -8.023 6.825 1.00 1.08 C ATOM 768 OE1 GLU A 673 6.688 -7.708 7.057 1.00 1.16 O ATOM 769 OE2 GLU A 673 8.404 -9.045 7.311 1.00 1.76 O ATOM 0 H GLU A 673 7.515 -6.801 2.162 1.00 0.22 H new ATOM 0 HA GLU A 673 9.250 -5.368 3.867 1.00 0.28 H new ATOM 0 HB2 GLU A 673 7.179 -6.627 4.506 1.00 0.34 H new ATOM 0 HB3 GLU A 673 8.007 -8.131 4.155 1.00 0.34 H new ATOM 0 HG2 GLU A 673 9.727 -7.498 5.900 1.00 0.70 H new ATOM 0 HG3 GLU A 673 8.719 -6.127 6.317 1.00 0.70 H new ATOM 776 N MET A 674 10.384 -8.213 2.638 1.00 0.27 N ATOM 777 CA MET A 674 11.588 -9.014 2.443 1.00 0.31 C ATOM 778 C MET A 674 12.619 -8.261 1.608 1.00 0.29 C ATOM 779 O MET A 674 13.819 -8.467 1.766 1.00 0.34 O ATOM 780 CB MET A 674 11.264 -10.354 1.770 1.00 0.36 C ATOM 781 CG MET A 674 10.409 -11.284 2.618 1.00 0.54 C ATOM 782 SD MET A 674 10.291 -12.948 1.922 1.00 0.60 S ATOM 783 CE MET A 674 9.503 -12.622 0.346 1.00 0.79 C ATOM 0 H MET A 674 9.556 -8.573 2.163 1.00 0.27 H new ATOM 0 HA MET A 674 12.006 -9.210 3.431 1.00 0.31 H new ATOM 0 HB2 MET A 674 10.748 -10.161 0.829 1.00 0.36 H new ATOM 0 HB3 MET A 674 12.198 -10.860 1.524 1.00 0.36 H new ATOM 0 HG2 MET A 674 10.829 -11.343 3.622 1.00 0.54 H new ATOM 0 HG3 MET A 674 9.408 -10.863 2.716 1.00 0.54 H new ATOM 0 HE1 MET A 674 9.383 -13.557 -0.201 1.00 0.79 H new ATOM 0 HE2 MET A 674 8.525 -12.172 0.515 1.00 0.79 H new ATOM 0 HE3 MET A 674 10.122 -11.938 -0.236 1.00 0.79 H new ATOM 793 N LEU A 675 12.153 -7.392 0.720 1.00 0.26 N ATOM 794 CA LEU A 675 13.049 -6.613 -0.132 1.00 0.27 C ATOM 795 C LEU A 675 13.578 -5.390 0.602 1.00 0.30 C ATOM 796 O LEU A 675 14.692 -4.937 0.345 1.00 0.39 O ATOM 797 CB LEU A 675 12.327 -6.174 -1.413 1.00 0.27 C ATOM 798 CG LEU A 675 12.490 -7.096 -2.631 1.00 0.32 C ATOM 799 CD1 LEU A 675 13.927 -7.080 -3.124 1.00 0.53 C ATOM 800 CD2 LEU A 675 12.058 -8.518 -2.309 1.00 0.47 C ATOM 0 H LEU A 675 11.161 -7.207 0.569 1.00 0.26 H new ATOM 0 HA LEU A 675 13.892 -7.251 -0.396 1.00 0.27 H new ATOM 0 HB2 LEU A 675 11.264 -6.081 -1.193 1.00 0.27 H new ATOM 0 HB3 LEU A 675 12.684 -5.181 -1.685 1.00 0.27 H new ATOM 0 HG LEU A 675 11.843 -6.718 -3.423 1.00 0.32 H new ATOM 0 HD11 LEU A 675 14.023 -7.739 -3.987 1.00 0.53 H new ATOM 0 HD12 LEU A 675 14.202 -6.065 -3.410 1.00 0.53 H new ATOM 0 HD13 LEU A 675 14.588 -7.425 -2.329 1.00 0.53 H new ATOM 0 HD21 LEU A 675 12.185 -9.146 -3.191 1.00 0.47 H new ATOM 0 HD22 LEU A 675 12.669 -8.908 -1.495 1.00 0.47 H new ATOM 0 HD23 LEU A 675 11.010 -8.521 -2.010 1.00 0.47 H new ATOM 812 N PHE A 676 12.775 -4.854 1.508 1.00 0.30 N ATOM 813 CA PHE A 676 13.160 -3.663 2.252 1.00 0.37 C ATOM 814 C PHE A 676 14.243 -3.993 3.270 1.00 0.42 C ATOM 815 O PHE A 676 15.231 -3.269 3.394 1.00 0.46 O ATOM 816 CB PHE A 676 11.940 -3.047 2.949 1.00 0.44 C ATOM 817 CG PHE A 676 12.223 -1.728 3.617 1.00 0.56 C ATOM 818 CD1 PHE A 676 12.194 -1.617 4.997 1.00 0.68 C ATOM 819 CD2 PHE A 676 12.524 -0.602 2.864 1.00 0.69 C ATOM 820 CE1 PHE A 676 12.460 -0.411 5.615 1.00 0.78 C ATOM 821 CE2 PHE A 676 12.789 0.608 3.477 1.00 0.82 C ATOM 822 CZ PHE A 676 12.733 0.714 4.843 1.00 0.82 C ATOM 0 H PHE A 676 11.854 -5.223 1.746 1.00 0.30 H new ATOM 0 HA PHE A 676 13.561 -2.934 1.548 1.00 0.37 H new ATOM 0 HB2 PHE A 676 11.146 -2.909 2.216 1.00 0.44 H new ATOM 0 HB3 PHE A 676 11.567 -3.749 3.695 1.00 0.44 H new ATOM 0 HD1 PHE A 676 11.961 -2.484 5.597 1.00 0.68 H new ATOM 0 HD2 PHE A 676 12.552 -0.672 1.787 1.00 0.69 H new ATOM 0 HE1 PHE A 676 12.456 -0.341 6.693 1.00 0.78 H new ATOM 0 HE2 PHE A 676 13.041 1.472 2.879 1.00 0.82 H new ATOM 0 HZ PHE A 676 12.900 1.669 5.319 1.00 0.82 H new ATOM 832 N THR A 677 14.052 -5.081 3.998 1.00 0.47 N ATOM 833 CA THR A 677 15.012 -5.489 5.008 1.00 0.57 C ATOM 834 C THR A 677 16.109 -6.376 4.425 1.00 0.65 C ATOM 835 O THR A 677 17.260 -6.323 4.861 1.00 0.89 O ATOM 836 CB THR A 677 14.308 -6.230 6.158 1.00 0.77 C ATOM 837 OG1 THR A 677 13.522 -7.312 5.634 1.00 1.45 O ATOM 838 CG2 THR A 677 13.411 -5.284 6.938 1.00 0.97 C ATOM 0 H THR A 677 13.243 -5.696 3.908 1.00 0.47 H new ATOM 0 HA THR A 677 15.477 -4.581 5.392 1.00 0.57 H new ATOM 0 HB THR A 677 15.071 -6.624 6.830 1.00 0.77 H new ATOM 0 HG1 THR A 677 12.736 -6.952 5.173 1.00 1.45 H new ATOM 0 HG21 THR A 677 12.923 -5.829 7.746 1.00 0.97 H new ATOM 0 HG22 THR A 677 14.011 -4.475 7.356 1.00 0.97 H new ATOM 0 HG23 THR A 677 12.655 -4.868 6.272 1.00 0.97 H new ATOM 846 N GLY A 678 15.753 -7.176 3.427 1.00 0.61 N ATOM 847 CA GLY A 678 16.702 -8.103 2.840 1.00 0.76 C ATOM 848 C GLY A 678 16.987 -9.273 3.761 1.00 1.01 C ATOM 849 O GLY A 678 16.067 -9.848 4.346 1.00 1.40 O ATOM 0 H GLY A 678 14.821 -7.199 3.013 1.00 0.61 H new ATOM 0 HA2 GLY A 678 16.311 -8.473 1.892 1.00 0.76 H new ATOM 0 HA3 GLY A 678 17.632 -7.580 2.618 1.00 0.76 H new ATOM 853 N GLY A 679 18.255 -9.638 3.885 1.00 1.33 N ATOM 854 CA GLY A 679 18.644 -10.655 4.840 1.00 1.95 C ATOM 855 C GLY A 679 18.530 -12.064 4.296 1.00 1.80 C ATOM 856 O GLY A 679 19.537 -12.750 4.129 1.00 2.07 O ATOM 0 H GLY A 679 19.023 -9.247 3.340 1.00 1.33 H new ATOM 0 HA2 GLY A 679 19.673 -10.476 5.152 1.00 1.95 H new ATOM 0 HA3 GLY A 679 18.021 -10.565 5.730 1.00 1.95 H new ATOM 860 N TYR A 680 17.304 -12.491 4.008 1.00 1.93 N ATOM 861 CA TYR A 680 17.038 -13.866 3.571 1.00 2.05 C ATOM 862 C TYR A 680 17.449 -14.088 2.116 1.00 1.75 C ATOM 863 O TYR A 680 16.602 -14.315 1.249 1.00 2.00 O ATOM 864 CB TYR A 680 15.552 -14.206 3.745 1.00 2.63 C ATOM 865 CG TYR A 680 15.089 -14.189 5.185 1.00 3.13 C ATOM 866 CD1 TYR A 680 14.966 -15.371 5.901 1.00 3.63 C ATOM 867 CD2 TYR A 680 14.784 -12.997 5.830 1.00 3.37 C ATOM 868 CE1 TYR A 680 14.551 -15.367 7.216 1.00 4.26 C ATOM 869 CE2 TYR A 680 14.368 -12.987 7.146 1.00 3.94 C ATOM 870 CZ TYR A 680 14.253 -14.173 7.834 1.00 4.36 C ATOM 871 OH TYR A 680 13.843 -14.166 9.148 1.00 5.05 O ATOM 0 H TYR A 680 16.472 -11.904 4.069 1.00 1.93 H new ATOM 0 HA TYR A 680 17.638 -14.526 4.197 1.00 2.05 H new ATOM 0 HB2 TYR A 680 14.956 -13.495 3.173 1.00 2.63 H new ATOM 0 HB3 TYR A 680 15.362 -15.193 3.323 1.00 2.63 H new ATOM 0 HD1 TYR A 680 15.199 -16.310 5.421 1.00 3.63 H new ATOM 0 HD2 TYR A 680 14.874 -12.064 5.294 1.00 3.37 H new ATOM 0 HE1 TYR A 680 14.460 -16.296 7.759 1.00 4.26 H new ATOM 0 HE2 TYR A 680 14.134 -12.052 7.634 1.00 3.94 H new ATOM 0 HH TYR A 680 13.674 -13.244 9.433 1.00 5.05 H new ATOM 881 N GLY A 681 18.752 -14.007 1.855 1.00 1.41 N ATOM 882 CA GLY A 681 19.270 -14.226 0.513 1.00 1.29 C ATOM 883 C GLY A 681 18.912 -13.100 -0.435 1.00 1.11 C ATOM 884 O GLY A 681 19.156 -13.182 -1.640 1.00 1.20 O ATOM 0 H GLY A 681 19.463 -13.792 2.554 1.00 1.41 H new ATOM 0 HA2 GLY A 681 20.354 -14.329 0.557 1.00 1.29 H new ATOM 0 HA3 GLY A 681 18.876 -15.165 0.123 1.00 1.29 H new ATOM 888 N LEU A 682 18.307 -12.057 0.110 1.00 0.95 N ATOM 889 CA LEU A 682 17.882 -10.919 -0.674 1.00 0.84 C ATOM 890 C LEU A 682 18.672 -9.682 -0.296 1.00 0.76 C ATOM 891 O LEU A 682 18.838 -9.384 0.889 1.00 0.82 O ATOM 892 CB LEU A 682 16.391 -10.667 -0.457 1.00 0.88 C ATOM 893 CG LEU A 682 15.483 -11.854 -0.778 1.00 1.02 C ATOM 894 CD1 LEU A 682 14.039 -11.521 -0.447 1.00 1.10 C ATOM 895 CD2 LEU A 682 15.619 -12.253 -2.239 1.00 1.38 C ATOM 0 H LEU A 682 18.099 -11.980 1.106 1.00 0.95 H new ATOM 0 HA LEU A 682 18.063 -11.138 -1.726 1.00 0.84 H new ATOM 0 HB2 LEU A 682 16.234 -10.379 0.582 1.00 0.88 H new ATOM 0 HB3 LEU A 682 16.088 -9.820 -1.072 1.00 0.88 H new ATOM 0 HG LEU A 682 15.792 -12.700 -0.164 1.00 1.02 H new ATOM 0 HD11 LEU A 682 13.405 -12.376 -0.681 1.00 1.10 H new ATOM 0 HD12 LEU A 682 13.954 -11.286 0.614 1.00 1.10 H new ATOM 0 HD13 LEU A 682 13.720 -10.661 -1.036 1.00 1.10 H new ATOM 0 HD21 LEU A 682 14.965 -13.100 -2.447 1.00 1.38 H new ATOM 0 HD22 LEU A 682 15.338 -11.412 -2.873 1.00 1.38 H new ATOM 0 HD23 LEU A 682 16.652 -12.533 -2.445 1.00 1.38 H new ATOM 907 N GLU A 683 19.172 -8.979 -1.292 1.00 0.78 N ATOM 908 CA GLU A 683 19.799 -7.693 -1.067 1.00 0.79 C ATOM 909 C GLU A 683 18.712 -6.645 -0.914 1.00 0.68 C ATOM 910 O GLU A 683 17.826 -6.539 -1.766 1.00 0.78 O ATOM 911 CB GLU A 683 20.729 -7.336 -2.228 1.00 0.99 C ATOM 912 CG GLU A 683 21.452 -6.011 -2.047 1.00 1.48 C ATOM 913 CD GLU A 683 22.276 -5.965 -0.775 1.00 2.22 C ATOM 914 OE1 GLU A 683 21.754 -5.514 0.266 1.00 2.83 O ATOM 915 OE2 GLU A 683 23.449 -6.388 -0.809 1.00 2.76 O ATOM 0 H GLU A 683 19.156 -9.278 -2.267 1.00 0.78 H new ATOM 0 HA GLU A 683 20.402 -7.733 -0.160 1.00 0.79 H new ATOM 0 HB2 GLU A 683 21.467 -8.129 -2.348 1.00 0.99 H new ATOM 0 HB3 GLU A 683 20.148 -7.300 -3.149 1.00 0.99 H new ATOM 0 HG2 GLU A 683 22.103 -5.837 -2.904 1.00 1.48 H new ATOM 0 HG3 GLU A 683 20.722 -5.202 -2.032 1.00 1.48 H new ATOM 922 N LYS A 684 18.762 -5.897 0.179 1.00 0.64 N ATOM 923 CA LYS A 684 17.737 -4.902 0.454 1.00 0.59 C ATOM 924 C LYS A 684 17.719 -3.846 -0.648 1.00 0.52 C ATOM 925 O LYS A 684 18.750 -3.253 -0.985 1.00 0.69 O ATOM 926 CB LYS A 684 17.935 -4.257 1.834 1.00 0.70 C ATOM 927 CG LYS A 684 19.212 -3.439 1.978 1.00 0.85 C ATOM 928 CD LYS A 684 19.320 -2.802 3.356 1.00 0.94 C ATOM 929 CE LYS A 684 18.138 -1.889 3.657 1.00 1.09 C ATOM 930 NZ LYS A 684 18.317 -1.157 4.938 1.00 1.72 N ATOM 0 H LYS A 684 19.496 -5.960 0.885 1.00 0.64 H new ATOM 0 HA LYS A 684 16.770 -5.405 0.469 1.00 0.59 H new ATOM 0 HB2 LYS A 684 17.081 -3.613 2.044 1.00 0.70 H new ATOM 0 HB3 LYS A 684 17.936 -5.042 2.590 1.00 0.70 H new ATOM 0 HG2 LYS A 684 20.076 -4.080 1.805 1.00 0.85 H new ATOM 0 HG3 LYS A 684 19.234 -2.661 1.215 1.00 0.85 H new ATOM 0 HD2 LYS A 684 19.376 -3.584 4.113 1.00 0.94 H new ATOM 0 HD3 LYS A 684 20.246 -2.230 3.419 1.00 0.94 H new ATOM 0 HE2 LYS A 684 18.015 -1.174 2.844 1.00 1.09 H new ATOM 0 HE3 LYS A 684 17.224 -2.481 3.701 1.00 1.09 H new ATOM 0 HZ1 LYS A 684 17.492 -0.547 5.107 1.00 1.72 H new ATOM 0 HZ2 LYS A 684 18.409 -1.839 5.718 1.00 1.72 H new ATOM 0 HZ3 LYS A 684 19.176 -0.572 4.887 1.00 1.72 H new ATOM 944 N ASP A 685 16.548 -3.637 -1.224 1.00 0.36 N ATOM 945 CA ASP A 685 16.403 -2.728 -2.348 1.00 0.32 C ATOM 946 C ASP A 685 15.192 -1.826 -2.152 1.00 0.27 C ATOM 947 O ASP A 685 14.058 -2.233 -2.420 1.00 0.26 O ATOM 948 CB ASP A 685 16.254 -3.514 -3.654 1.00 0.35 C ATOM 949 CG ASP A 685 16.306 -2.610 -4.864 1.00 0.95 C ATOM 950 OD1 ASP A 685 17.423 -2.348 -5.360 1.00 1.09 O ATOM 951 OD2 ASP A 685 15.238 -2.150 -5.317 1.00 1.68 O ATOM 0 H ASP A 685 15.681 -4.086 -0.931 1.00 0.36 H new ATOM 0 HA ASP A 685 17.299 -2.110 -2.404 1.00 0.32 H new ATOM 0 HB2 ASP A 685 17.047 -4.258 -3.722 1.00 0.35 H new ATOM 0 HB3 ASP A 685 15.308 -4.056 -3.646 1.00 0.35 H new ATOM 956 N PRO A 686 15.410 -0.590 -1.665 1.00 0.29 N ATOM 957 CA PRO A 686 14.325 0.377 -1.417 1.00 0.29 C ATOM 958 C PRO A 686 13.461 0.647 -2.651 1.00 0.25 C ATOM 959 O PRO A 686 12.276 0.961 -2.528 1.00 0.25 O ATOM 960 CB PRO A 686 15.071 1.650 -1.005 1.00 0.37 C ATOM 961 CG PRO A 686 16.364 1.163 -0.454 1.00 0.42 C ATOM 962 CD PRO A 686 16.729 -0.037 -1.289 1.00 0.37 C ATOM 0 HA PRO A 686 13.626 0.004 -0.668 1.00 0.29 H new ATOM 0 HB2 PRO A 686 15.227 2.312 -1.857 1.00 0.37 H new ATOM 0 HB3 PRO A 686 14.510 2.215 -0.261 1.00 0.37 H new ATOM 0 HG2 PRO A 686 17.133 1.933 -0.516 1.00 0.42 H new ATOM 0 HG3 PRO A 686 16.266 0.895 0.598 1.00 0.42 H new ATOM 0 HD2 PRO A 686 17.314 0.243 -2.165 1.00 0.37 H new ATOM 0 HD3 PRO A 686 17.323 -0.756 -0.725 1.00 0.37 H new ATOM 970 N GLN A 687 14.050 0.501 -3.834 1.00 0.25 N ATOM 971 CA GLN A 687 13.342 0.778 -5.077 1.00 0.27 C ATOM 972 C GLN A 687 12.231 -0.243 -5.304 1.00 0.23 C ATOM 973 O GLN A 687 11.059 0.122 -5.458 1.00 0.24 O ATOM 974 CB GLN A 687 14.317 0.775 -6.260 1.00 0.35 C ATOM 975 CG GLN A 687 13.646 0.979 -7.612 1.00 0.65 C ATOM 976 CD GLN A 687 12.871 2.283 -7.697 1.00 1.23 C ATOM 977 OE1 GLN A 687 13.238 3.280 -7.075 1.00 2.21 O ATOM 978 NE2 GLN A 687 11.785 2.282 -8.455 1.00 1.23 N ATOM 0 H GLN A 687 15.015 0.193 -3.957 1.00 0.25 H new ATOM 0 HA GLN A 687 12.890 1.767 -5.000 1.00 0.27 H new ATOM 0 HB2 GLN A 687 15.057 1.561 -6.110 1.00 0.35 H new ATOM 0 HB3 GLN A 687 14.856 -0.172 -6.272 1.00 0.35 H new ATOM 0 HG2 GLN A 687 14.404 0.961 -8.395 1.00 0.65 H new ATOM 0 HG3 GLN A 687 12.969 0.147 -7.805 1.00 0.65 H new ATOM 0 HE21 GLN A 687 11.513 1.436 -8.955 1.00 1.23 H new ATOM 0 HE22 GLN A 687 11.221 3.127 -8.538 1.00 1.23 H new ATOM 987 N ARG A 688 12.591 -1.522 -5.283 1.00 0.22 N ATOM 988 CA ARG A 688 11.617 -2.578 -5.489 1.00 0.23 C ATOM 989 C ARG A 688 10.654 -2.623 -4.316 1.00 0.18 C ATOM 990 O ARG A 688 9.475 -2.938 -4.477 1.00 0.20 O ATOM 991 CB ARG A 688 12.303 -3.935 -5.667 1.00 0.29 C ATOM 992 CG ARG A 688 11.327 -5.074 -5.914 1.00 0.70 C ATOM 993 CD ARG A 688 12.044 -6.382 -6.189 1.00 0.78 C ATOM 994 NE ARG A 688 11.119 -7.512 -6.249 1.00 1.67 N ATOM 995 CZ ARG A 688 11.352 -8.633 -6.928 1.00 2.16 C ATOM 996 NH1 ARG A 688 12.465 -8.765 -7.642 1.00 1.85 N ATOM 997 NH2 ARG A 688 10.469 -9.620 -6.895 1.00 3.24 N ATOM 0 H ARG A 688 13.545 -1.847 -5.126 1.00 0.22 H new ATOM 0 HA ARG A 688 11.062 -2.362 -6.402 1.00 0.23 H new ATOM 0 HB2 ARG A 688 13.000 -3.875 -6.503 1.00 0.29 H new ATOM 0 HB3 ARG A 688 12.891 -4.157 -4.777 1.00 0.29 H new ATOM 0 HG2 ARG A 688 10.678 -5.191 -5.046 1.00 0.70 H new ATOM 0 HG3 ARG A 688 10.686 -4.826 -6.760 1.00 0.70 H new ATOM 0 HD2 ARG A 688 12.586 -6.307 -7.132 1.00 0.78 H new ATOM 0 HD3 ARG A 688 12.784 -6.561 -5.409 1.00 0.78 H new ATOM 0 HE ARG A 688 10.239 -7.437 -5.738 1.00 1.67 H new ATOM 0 HH11 ARG A 688 13.145 -8.005 -7.671 1.00 1.85 H new ATOM 0 HH12 ARG A 688 12.639 -9.626 -8.161 1.00 1.85 H new ATOM 0 HH21 ARG A 688 9.613 -9.520 -6.350 1.00 3.24 H new ATOM 0 HH22 ARG A 688 10.646 -10.480 -7.415 1.00 3.24 H new ATOM 1011 N SER A 689 11.162 -2.293 -3.134 1.00 0.16 N ATOM 1012 CA SER A 689 10.332 -2.226 -1.943 1.00 0.17 C ATOM 1013 C SER A 689 9.165 -1.265 -2.151 1.00 0.15 C ATOM 1014 O SER A 689 8.012 -1.623 -1.893 1.00 0.16 O ATOM 1015 CB SER A 689 11.159 -1.795 -0.736 1.00 0.21 C ATOM 1016 OG SER A 689 12.265 -2.657 -0.549 1.00 1.11 O ATOM 0 H SER A 689 12.145 -2.068 -2.978 1.00 0.16 H new ATOM 0 HA SER A 689 9.931 -3.222 -1.754 1.00 0.17 H new ATOM 0 HB2 SER A 689 11.509 -0.772 -0.876 1.00 0.21 H new ATOM 0 HB3 SER A 689 10.535 -1.798 0.158 1.00 0.21 H new ATOM 0 HG SER A 689 12.987 -2.399 -1.159 1.00 1.11 H new ATOM 1022 N GLY A 690 9.442 -0.053 -2.646 1.00 0.16 N ATOM 1023 CA GLY A 690 8.379 0.899 -2.879 1.00 0.18 C ATOM 1024 C GLY A 690 7.488 0.491 -4.025 1.00 0.17 C ATOM 1025 O GLY A 690 6.289 0.757 -4.006 1.00 0.19 O ATOM 0 H GLY A 690 10.377 0.276 -2.885 1.00 0.16 H new ATOM 0 HA2 GLY A 690 7.780 1.000 -1.974 1.00 0.18 H new ATOM 0 HA3 GLY A 690 8.810 1.878 -3.087 1.00 0.18 H new ATOM 1029 N ASP A 691 8.068 -0.169 -5.020 1.00 0.17 N ATOM 1030 CA ASP A 691 7.288 -0.646 -6.158 1.00 0.20 C ATOM 1031 C ASP A 691 6.285 -1.694 -5.690 1.00 0.18 C ATOM 1032 O ASP A 691 5.123 -1.687 -6.088 1.00 0.22 O ATOM 1033 CB ASP A 691 8.195 -1.235 -7.241 1.00 0.26 C ATOM 1034 CG ASP A 691 7.418 -1.655 -8.472 1.00 0.82 C ATOM 1035 OD1 ASP A 691 6.688 -0.812 -9.034 1.00 0.84 O ATOM 1036 OD2 ASP A 691 7.531 -2.830 -8.880 1.00 1.54 O ATOM 0 H ASP A 691 9.064 -0.385 -5.064 1.00 0.17 H new ATOM 0 HA ASP A 691 6.755 0.202 -6.589 1.00 0.20 H new ATOM 0 HB2 ASP A 691 8.948 -0.498 -7.522 1.00 0.26 H new ATOM 0 HB3 ASP A 691 8.727 -2.097 -6.838 1.00 0.26 H new ATOM 1041 N LEU A 692 6.734 -2.568 -4.806 1.00 0.16 N ATOM 1042 CA LEU A 692 5.878 -3.608 -4.263 1.00 0.16 C ATOM 1043 C LEU A 692 4.847 -3.024 -3.309 1.00 0.15 C ATOM 1044 O LEU A 692 3.706 -3.476 -3.278 1.00 0.16 O ATOM 1045 CB LEU A 692 6.719 -4.666 -3.558 1.00 0.20 C ATOM 1046 CG LEU A 692 7.535 -5.559 -4.484 1.00 0.48 C ATOM 1047 CD1 LEU A 692 8.651 -6.244 -3.717 1.00 1.35 C ATOM 1048 CD2 LEU A 692 6.630 -6.589 -5.136 1.00 0.73 C ATOM 0 H LEU A 692 7.689 -2.578 -4.448 1.00 0.16 H new ATOM 0 HA LEU A 692 5.343 -4.077 -5.089 1.00 0.16 H new ATOM 0 HB2 LEU A 692 7.398 -4.168 -2.866 1.00 0.20 H new ATOM 0 HB3 LEU A 692 6.059 -5.294 -2.960 1.00 0.20 H new ATOM 0 HG LEU A 692 7.985 -4.941 -5.261 1.00 0.48 H new ATOM 0 HD11 LEU A 692 9.223 -6.878 -4.395 1.00 1.35 H new ATOM 0 HD12 LEU A 692 9.309 -5.491 -3.282 1.00 1.35 H new ATOM 0 HD13 LEU A 692 8.224 -6.856 -2.922 1.00 1.35 H new ATOM 0 HD21 LEU A 692 7.219 -7.225 -5.797 1.00 0.73 H new ATOM 0 HD22 LEU A 692 6.162 -7.202 -4.366 1.00 0.73 H new ATOM 0 HD23 LEU A 692 5.858 -6.081 -5.714 1.00 0.73 H new ATOM 1060 N TYR A 693 5.239 -2.013 -2.538 1.00 0.15 N ATOM 1061 CA TYR A 693 4.309 -1.366 -1.619 1.00 0.17 C ATOM 1062 C TYR A 693 3.268 -0.535 -2.367 1.00 0.18 C ATOM 1063 O TYR A 693 2.124 -0.432 -1.930 1.00 0.20 O ATOM 1064 CB TYR A 693 5.038 -0.502 -0.582 1.00 0.21 C ATOM 1065 CG TYR A 693 5.434 -1.266 0.666 1.00 0.48 C ATOM 1066 CD1 TYR A 693 4.483 -1.962 1.402 1.00 0.59 C ATOM 1067 CD2 TYR A 693 6.750 -1.287 1.113 1.00 0.69 C ATOM 1068 CE1 TYR A 693 4.831 -2.658 2.543 1.00 0.86 C ATOM 1069 CE2 TYR A 693 7.105 -1.983 2.254 1.00 0.96 C ATOM 1070 CZ TYR A 693 6.142 -2.667 2.964 1.00 1.05 C ATOM 1071 OH TYR A 693 6.493 -3.363 4.100 1.00 1.33 O ATOM 0 H TYR A 693 6.184 -1.628 -2.531 1.00 0.15 H new ATOM 0 HA TYR A 693 3.791 -2.163 -1.086 1.00 0.17 H new ATOM 0 HB2 TYR A 693 5.932 -0.077 -1.038 1.00 0.21 H new ATOM 0 HB3 TYR A 693 4.396 0.333 -0.300 1.00 0.21 H new ATOM 0 HD1 TYR A 693 3.453 -1.959 1.076 1.00 0.59 H new ATOM 0 HD2 TYR A 693 7.507 -0.751 0.560 1.00 0.69 H new ATOM 0 HE1 TYR A 693 4.078 -3.193 3.103 1.00 0.86 H new ATOM 0 HE2 TYR A 693 8.132 -1.991 2.587 1.00 0.96 H new ATOM 0 HH TYR A 693 7.456 -3.268 4.257 1.00 1.33 H new ATOM 1081 N THR A 694 3.651 0.046 -3.500 1.00 0.19 N ATOM 1082 CA THR A 694 2.696 0.788 -4.312 1.00 0.22 C ATOM 1083 C THR A 694 1.742 -0.176 -5.004 1.00 0.20 C ATOM 1084 O THR A 694 0.542 0.092 -5.116 1.00 0.21 O ATOM 1085 CB THR A 694 3.385 1.698 -5.351 1.00 0.26 C ATOM 1086 OG1 THR A 694 4.471 1.007 -5.977 1.00 0.27 O ATOM 1087 CG2 THR A 694 3.895 2.971 -4.699 1.00 0.31 C ATOM 0 H THR A 694 4.601 0.018 -3.871 1.00 0.19 H new ATOM 0 HA THR A 694 2.136 1.439 -3.641 1.00 0.22 H new ATOM 0 HB THR A 694 2.647 1.964 -6.108 1.00 0.26 H new ATOM 0 HG1 THR A 694 5.271 1.079 -5.416 1.00 0.27 H new ATOM 0 HG21 THR A 694 4.377 3.597 -5.450 1.00 0.31 H new ATOM 0 HG22 THR A 694 3.059 3.513 -4.257 1.00 0.31 H new ATOM 0 HG23 THR A 694 4.616 2.718 -3.921 1.00 0.31 H new ATOM 1095 N GLN A 695 2.272 -1.319 -5.431 1.00 0.19 N ATOM 1096 CA GLN A 695 1.434 -2.373 -5.975 1.00 0.20 C ATOM 1097 C GLN A 695 0.501 -2.889 -4.885 1.00 0.17 C ATOM 1098 O GLN A 695 -0.683 -3.136 -5.122 1.00 0.18 O ATOM 1099 CB GLN A 695 2.279 -3.530 -6.520 1.00 0.25 C ATOM 1100 CG GLN A 695 3.095 -3.188 -7.760 1.00 0.85 C ATOM 1101 CD GLN A 695 3.842 -4.392 -8.309 1.00 1.44 C ATOM 1102 OE1 GLN A 695 4.215 -5.314 -7.432 1.00 2.09 O flip ATOM 1103 NE2 GLN A 695 4.079 -4.495 -9.512 1.00 2.13 N flip ATOM 0 H GLN A 695 3.269 -1.534 -5.410 1.00 0.19 H new ATOM 0 HA GLN A 695 0.854 -1.960 -6.800 1.00 0.20 H new ATOM 0 HB2 GLN A 695 2.957 -3.868 -5.736 1.00 0.25 H new ATOM 0 HB3 GLN A 695 1.620 -4.366 -6.754 1.00 0.25 H new ATOM 0 HG2 GLN A 695 2.433 -2.792 -8.530 1.00 0.85 H new ATOM 0 HG3 GLN A 695 3.808 -2.400 -7.517 1.00 0.85 H new ATOM 0 HE21 GLN A 695 3.776 -3.764 -10.156 1.00 2.13 H new ATOM 0 HE22 GLN A 695 4.579 -5.311 -9.865 1.00 2.13 H new ATOM 1112 N ALA A 696 1.046 -3.042 -3.681 1.00 0.16 N ATOM 1113 CA ALA A 696 0.267 -3.474 -2.537 1.00 0.16 C ATOM 1114 C ALA A 696 -0.832 -2.473 -2.207 1.00 0.16 C ATOM 1115 O ALA A 696 -1.947 -2.868 -1.879 1.00 0.16 O ATOM 1116 CB ALA A 696 1.163 -3.700 -1.328 1.00 0.18 C ATOM 0 H ALA A 696 2.031 -2.871 -3.478 1.00 0.16 H new ATOM 0 HA ALA A 696 -0.207 -4.420 -2.798 1.00 0.16 H new ATOM 0 HB1 ALA A 696 0.557 -4.024 -0.482 1.00 0.18 H new ATOM 0 HB2 ALA A 696 1.901 -4.468 -1.561 1.00 0.18 H new ATOM 0 HB3 ALA A 696 1.673 -2.771 -1.075 1.00 0.18 H new ATOM 1122 N ALA A 697 -0.533 -1.176 -2.304 1.00 0.16 N ATOM 1123 CA ALA A 697 -1.541 -0.151 -2.064 1.00 0.17 C ATOM 1124 C ALA A 697 -2.633 -0.229 -3.114 1.00 0.16 C ATOM 1125 O ALA A 697 -3.816 -0.061 -2.810 1.00 0.16 O ATOM 1126 CB ALA A 697 -0.911 1.235 -2.061 1.00 0.20 C ATOM 0 H ALA A 697 0.391 -0.817 -2.545 1.00 0.16 H new ATOM 0 HA ALA A 697 -1.983 -0.330 -1.084 1.00 0.17 H new ATOM 0 HB1 ALA A 697 -1.681 1.984 -1.880 1.00 0.20 H new ATOM 0 HB2 ALA A 697 -0.159 1.291 -1.274 1.00 0.20 H new ATOM 0 HB3 ALA A 697 -0.441 1.423 -3.026 1.00 0.20 H new ATOM 1132 N GLU A 698 -2.228 -0.507 -4.349 1.00 0.17 N ATOM 1133 CA GLU A 698 -3.175 -0.709 -5.430 1.00 0.20 C ATOM 1134 C GLU A 698 -4.093 -1.876 -5.091 1.00 0.18 C ATOM 1135 O GLU A 698 -5.313 -1.786 -5.217 1.00 0.20 O ATOM 1136 CB GLU A 698 -2.441 -0.995 -6.739 1.00 0.26 C ATOM 1137 CG GLU A 698 -3.372 -1.301 -7.900 1.00 1.02 C ATOM 1138 CD GLU A 698 -2.667 -1.993 -9.043 1.00 1.22 C ATOM 1139 OE1 GLU A 698 -2.740 -3.235 -9.136 1.00 1.84 O ATOM 1140 OE2 GLU A 698 -2.027 -1.294 -9.860 1.00 1.40 O ATOM 0 H GLU A 698 -1.249 -0.597 -4.622 1.00 0.17 H new ATOM 0 HA GLU A 698 -3.766 0.199 -5.553 1.00 0.20 H new ATOM 0 HB2 GLU A 698 -1.823 -0.134 -6.996 1.00 0.26 H new ATOM 0 HB3 GLU A 698 -1.767 -1.839 -6.592 1.00 0.26 H new ATOM 0 HG2 GLU A 698 -4.190 -1.930 -7.549 1.00 1.02 H new ATOM 0 HG3 GLU A 698 -3.815 -0.373 -8.260 1.00 1.02 H new ATOM 1147 N ALA A 699 -3.495 -2.962 -4.620 1.00 0.17 N ATOM 1148 CA ALA A 699 -4.242 -4.158 -4.280 1.00 0.18 C ATOM 1149 C ALA A 699 -5.098 -3.931 -3.037 1.00 0.15 C ATOM 1150 O ALA A 699 -6.129 -4.573 -2.856 1.00 0.17 O ATOM 1151 CB ALA A 699 -3.290 -5.321 -4.068 1.00 0.21 C ATOM 0 H ALA A 699 -2.490 -3.036 -4.465 1.00 0.17 H new ATOM 0 HA ALA A 699 -4.910 -4.396 -5.107 1.00 0.18 H new ATOM 0 HB1 ALA A 699 -3.859 -6.215 -3.813 1.00 0.21 H new ATOM 0 HB2 ALA A 699 -2.724 -5.499 -4.982 1.00 0.21 H new ATOM 0 HB3 ALA A 699 -2.602 -5.085 -3.256 1.00 0.21 H new ATOM 1157 N ALA A 700 -4.656 -3.021 -2.181 1.00 0.13 N ATOM 1158 CA ALA A 700 -5.393 -2.684 -0.972 1.00 0.13 C ATOM 1159 C ALA A 700 -6.637 -1.878 -1.303 1.00 0.13 C ATOM 1160 O ALA A 700 -7.724 -2.177 -0.813 1.00 0.16 O ATOM 1161 CB ALA A 700 -4.511 -1.924 -0.001 1.00 0.14 C ATOM 0 H ALA A 700 -3.787 -2.501 -2.302 1.00 0.13 H new ATOM 0 HA ALA A 700 -5.706 -3.614 -0.498 1.00 0.13 H new ATOM 0 HB1 ALA A 700 -5.081 -1.682 0.896 1.00 0.14 H new ATOM 0 HB2 ALA A 700 -3.653 -2.540 0.270 1.00 0.14 H new ATOM 0 HB3 ALA A 700 -4.163 -1.003 -0.469 1.00 0.14 H new ATOM 1167 N MET A 701 -6.483 -0.865 -2.146 1.00 0.15 N ATOM 1168 CA MET A 701 -7.620 -0.058 -2.571 1.00 0.20 C ATOM 1169 C MET A 701 -8.557 -0.904 -3.434 1.00 0.23 C ATOM 1170 O MET A 701 -9.760 -0.669 -3.482 1.00 0.28 O ATOM 1171 CB MET A 701 -7.153 1.187 -3.335 1.00 0.27 C ATOM 1172 CG MET A 701 -6.621 0.903 -4.731 1.00 0.44 C ATOM 1173 SD MET A 701 -6.043 2.388 -5.574 1.00 0.74 S ATOM 1174 CE MET A 701 -5.644 1.731 -7.192 1.00 0.76 C ATOM 0 H MET A 701 -5.588 -0.584 -2.547 1.00 0.15 H new ATOM 0 HA MET A 701 -8.161 0.280 -1.687 1.00 0.20 H new ATOM 0 HB2 MET A 701 -7.986 1.885 -3.412 1.00 0.27 H new ATOM 0 HB3 MET A 701 -6.374 1.683 -2.756 1.00 0.27 H new ATOM 0 HG2 MET A 701 -5.802 0.187 -4.664 1.00 0.44 H new ATOM 0 HG3 MET A 701 -7.406 0.435 -5.326 1.00 0.44 H new ATOM 0 HE1 MET A 701 -4.671 2.108 -7.508 1.00 0.76 H new ATOM 0 HE2 MET A 701 -5.614 0.642 -7.145 1.00 0.76 H new ATOM 0 HE3 MET A 701 -6.404 2.042 -7.909 1.00 0.76 H new ATOM 1184 N GLU A 702 -7.976 -1.906 -4.084 1.00 0.24 N ATOM 1185 CA GLU A 702 -8.720 -2.864 -4.892 1.00 0.31 C ATOM 1186 C GLU A 702 -9.518 -3.814 -3.998 1.00 0.29 C ATOM 1187 O GLU A 702 -10.596 -4.289 -4.360 1.00 0.36 O ATOM 1188 CB GLU A 702 -7.720 -3.646 -5.748 1.00 0.42 C ATOM 1189 CG GLU A 702 -8.293 -4.831 -6.499 1.00 1.14 C ATOM 1190 CD GLU A 702 -7.228 -5.563 -7.286 1.00 1.75 C ATOM 1191 OE1 GLU A 702 -6.941 -5.155 -8.428 1.00 1.95 O ATOM 1192 OE2 GLU A 702 -6.653 -6.544 -6.761 1.00 2.58 O ATOM 0 H GLU A 702 -6.971 -2.077 -4.065 1.00 0.24 H new ATOM 0 HA GLU A 702 -9.429 -2.340 -5.533 1.00 0.31 H new ATOM 0 HB2 GLU A 702 -7.273 -2.962 -6.469 1.00 0.42 H new ATOM 0 HB3 GLU A 702 -6.915 -4.001 -5.104 1.00 0.42 H new ATOM 0 HG2 GLU A 702 -8.760 -5.518 -5.793 1.00 1.14 H new ATOM 0 HG3 GLU A 702 -9.075 -4.489 -7.176 1.00 1.14 H new ATOM 1199 N ALA A 703 -8.977 -4.074 -2.817 1.00 0.27 N ATOM 1200 CA ALA A 703 -9.597 -4.989 -1.874 1.00 0.32 C ATOM 1201 C ALA A 703 -10.460 -4.243 -0.861 1.00 0.33 C ATOM 1202 O ALA A 703 -10.792 -4.780 0.197 1.00 0.45 O ATOM 1203 CB ALA A 703 -8.533 -5.809 -1.166 1.00 0.39 C ATOM 0 H ALA A 703 -8.104 -3.661 -2.489 1.00 0.27 H new ATOM 0 HA ALA A 703 -10.249 -5.661 -2.432 1.00 0.32 H new ATOM 0 HB1 ALA A 703 -9.008 -6.491 -0.462 1.00 0.39 H new ATOM 0 HB2 ALA A 703 -7.967 -6.382 -1.900 1.00 0.39 H new ATOM 0 HB3 ALA A 703 -7.859 -5.143 -0.627 1.00 0.39 H new ATOM 1209 N MET A 704 -10.808 -3.000 -1.192 1.00 0.33 N ATOM 1210 CA MET A 704 -11.696 -2.182 -0.363 1.00 0.44 C ATOM 1211 C MET A 704 -11.066 -1.881 0.996 1.00 0.41 C ATOM 1212 O MET A 704 -11.772 -1.716 1.991 1.00 0.58 O ATOM 1213 CB MET A 704 -13.046 -2.889 -0.148 1.00 0.61 C ATOM 1214 CG MET A 704 -13.724 -3.351 -1.426 1.00 1.01 C ATOM 1215 SD MET A 704 -15.246 -4.263 -1.102 1.00 2.03 S ATOM 1216 CE MET A 704 -15.693 -4.754 -2.763 1.00 2.61 C ATOM 0 H MET A 704 -10.484 -2.532 -2.039 1.00 0.33 H new ATOM 0 HA MET A 704 -11.858 -1.243 -0.893 1.00 0.44 H new ATOM 0 HB2 MET A 704 -12.891 -3.752 0.499 1.00 0.61 H new ATOM 0 HB3 MET A 704 -13.717 -2.211 0.380 1.00 0.61 H new ATOM 0 HG2 MET A 704 -13.947 -2.485 -2.050 1.00 1.01 H new ATOM 0 HG3 MET A 704 -13.038 -3.982 -1.991 1.00 1.01 H new ATOM 0 HE1 MET A 704 -16.546 -4.165 -3.099 1.00 2.61 H new ATOM 0 HE2 MET A 704 -14.849 -4.585 -3.432 1.00 2.61 H new ATOM 0 HE3 MET A 704 -15.956 -5.812 -2.771 1.00 2.61 H new ATOM 1226 N LYS A 705 -9.741 -1.812 1.042 1.00 0.30 N ATOM 1227 CA LYS A 705 -9.032 -1.600 2.300 1.00 0.34 C ATOM 1228 C LYS A 705 -8.312 -0.252 2.298 1.00 0.31 C ATOM 1229 O LYS A 705 -7.126 -0.170 1.968 1.00 0.30 O ATOM 1230 CB LYS A 705 -8.022 -2.729 2.545 1.00 0.42 C ATOM 1231 CG LYS A 705 -8.614 -4.129 2.478 1.00 0.65 C ATOM 1232 CD LYS A 705 -9.750 -4.313 3.471 1.00 0.70 C ATOM 1233 CE LYS A 705 -10.309 -5.728 3.426 1.00 1.02 C ATOM 1234 NZ LYS A 705 -9.358 -6.725 3.991 1.00 1.59 N ATOM 0 H LYS A 705 -9.136 -1.899 0.225 1.00 0.30 H new ATOM 0 HA LYS A 705 -9.768 -1.601 3.104 1.00 0.34 H new ATOM 0 HB2 LYS A 705 -7.222 -2.650 1.808 1.00 0.42 H new ATOM 0 HB3 LYS A 705 -7.567 -2.587 3.525 1.00 0.42 H new ATOM 0 HG2 LYS A 705 -8.979 -4.321 1.469 1.00 0.65 H new ATOM 0 HG3 LYS A 705 -7.834 -4.863 2.679 1.00 0.65 H new ATOM 0 HD2 LYS A 705 -9.394 -4.094 4.477 1.00 0.70 H new ATOM 0 HD3 LYS A 705 -10.545 -3.600 3.252 1.00 0.70 H new ATOM 0 HE2 LYS A 705 -11.245 -5.765 3.983 1.00 1.02 H new ATOM 0 HE3 LYS A 705 -10.541 -5.993 2.394 1.00 1.02 H new ATOM 0 HZ1 LYS A 705 -9.735 -7.684 3.848 1.00 1.59 H new ATOM 0 HZ2 LYS A 705 -8.439 -6.639 3.511 1.00 1.59 H new ATOM 0 HZ3 LYS A 705 -9.235 -6.549 5.009 1.00 1.59 H new ATOM 1248 N GLY A 706 -9.041 0.799 2.674 1.00 0.40 N ATOM 1249 CA GLY A 706 -8.485 2.142 2.689 1.00 0.47 C ATOM 1250 C GLY A 706 -7.252 2.285 3.568 1.00 0.42 C ATOM 1251 O GLY A 706 -6.204 2.735 3.101 1.00 0.40 O ATOM 0 H GLY A 706 -10.015 0.741 2.971 1.00 0.40 H new ATOM 0 HA2 GLY A 706 -8.229 2.431 1.670 1.00 0.47 H new ATOM 0 HA3 GLY A 706 -9.249 2.838 3.035 1.00 0.47 H new ATOM 1255 N ARG A 707 -7.364 1.897 4.836 1.00 0.44 N ATOM 1256 CA ARG A 707 -6.257 2.060 5.780 1.00 0.47 C ATOM 1257 C ARG A 707 -5.035 1.255 5.343 1.00 0.38 C ATOM 1258 O ARG A 707 -3.898 1.697 5.513 1.00 0.38 O ATOM 1259 CB ARG A 707 -6.668 1.651 7.196 1.00 0.60 C ATOM 1260 CG ARG A 707 -5.584 1.897 8.240 1.00 0.72 C ATOM 1261 CD ARG A 707 -5.209 3.371 8.318 1.00 1.28 C ATOM 1262 NE ARG A 707 -4.132 3.623 9.274 1.00 2.07 N ATOM 1263 CZ ARG A 707 -3.754 4.840 9.668 1.00 2.91 C ATOM 1264 NH1 ARG A 707 -4.367 5.919 9.195 1.00 3.16 N ATOM 1265 NH2 ARG A 707 -2.758 4.977 10.535 1.00 3.90 N ATOM 0 H ARG A 707 -8.201 1.471 5.233 1.00 0.44 H new ATOM 0 HA ARG A 707 -5.995 3.118 5.786 1.00 0.47 H new ATOM 0 HB2 ARG A 707 -7.565 2.202 7.479 1.00 0.60 H new ATOM 0 HB3 ARG A 707 -6.930 0.593 7.198 1.00 0.60 H new ATOM 0 HG2 ARG A 707 -5.933 1.557 9.215 1.00 0.72 H new ATOM 0 HG3 ARG A 707 -4.700 1.308 7.994 1.00 0.72 H new ATOM 0 HD2 ARG A 707 -4.903 3.718 7.331 1.00 1.28 H new ATOM 0 HD3 ARG A 707 -6.087 3.952 8.602 1.00 1.28 H new ATOM 0 HE ARG A 707 -3.640 2.819 9.663 1.00 2.07 H new ATOM 0 HH11 ARG A 707 -5.131 5.820 8.527 1.00 3.16 H new ATOM 0 HH12 ARG A 707 -4.074 6.847 9.500 1.00 3.16 H new ATOM 0 HH21 ARG A 707 -2.282 4.152 10.900 1.00 3.90 H new ATOM 0 HH22 ARG A 707 -2.469 5.907 10.836 1.00 3.90 H new ATOM 1279 N LEU A 708 -5.271 0.081 4.770 1.00 0.32 N ATOM 1280 CA LEU A 708 -4.182 -0.751 4.269 1.00 0.30 C ATOM 1281 C LEU A 708 -3.463 -0.032 3.139 1.00 0.23 C ATOM 1282 O LEU A 708 -2.232 -0.008 3.089 1.00 0.22 O ATOM 1283 CB LEU A 708 -4.702 -2.110 3.783 1.00 0.34 C ATOM 1284 CG LEU A 708 -4.917 -3.179 4.866 1.00 0.45 C ATOM 1285 CD1 LEU A 708 -3.596 -3.554 5.516 1.00 0.91 C ATOM 1286 CD2 LEU A 708 -5.912 -2.709 5.918 1.00 1.02 C ATOM 0 H LEU A 708 -6.202 -0.316 4.641 1.00 0.32 H new ATOM 0 HA LEU A 708 -3.484 -0.930 5.086 1.00 0.30 H new ATOM 0 HB2 LEU A 708 -5.648 -1.950 3.266 1.00 0.34 H new ATOM 0 HB3 LEU A 708 -4.000 -2.503 3.048 1.00 0.34 H new ATOM 0 HG LEU A 708 -5.332 -4.063 4.383 1.00 0.45 H new ATOM 0 HD11 LEU A 708 -3.769 -4.312 6.280 1.00 0.91 H new ATOM 0 HD12 LEU A 708 -2.918 -3.949 4.760 1.00 0.91 H new ATOM 0 HD13 LEU A 708 -3.153 -2.670 5.975 1.00 0.91 H new ATOM 0 HD21 LEU A 708 -6.042 -3.488 6.670 1.00 1.02 H new ATOM 0 HD22 LEU A 708 -5.537 -1.804 6.395 1.00 1.02 H new ATOM 0 HD23 LEU A 708 -6.871 -2.499 5.444 1.00 1.02 H new ATOM 1298 N ALA A 709 -4.247 0.566 2.249 1.00 0.20 N ATOM 1299 CA ALA A 709 -3.707 1.352 1.150 1.00 0.18 C ATOM 1300 C ALA A 709 -2.881 2.514 1.686 1.00 0.19 C ATOM 1301 O ALA A 709 -1.807 2.812 1.165 1.00 0.19 O ATOM 1302 CB ALA A 709 -4.826 1.848 0.244 1.00 0.21 C ATOM 0 H ALA A 709 -5.266 0.520 2.269 1.00 0.20 H new ATOM 0 HA ALA A 709 -3.052 0.715 0.555 1.00 0.18 H new ATOM 0 HB1 ALA A 709 -4.401 2.434 -0.571 1.00 0.21 H new ATOM 0 HB2 ALA A 709 -5.368 0.995 -0.165 1.00 0.21 H new ATOM 0 HB3 ALA A 709 -5.511 2.471 0.819 1.00 0.21 H new ATOM 1308 N ASN A 710 -3.375 3.146 2.748 1.00 0.25 N ATOM 1309 CA ASN A 710 -2.648 4.233 3.401 1.00 0.29 C ATOM 1310 C ASN A 710 -1.314 3.733 3.941 1.00 0.25 C ATOM 1311 O ASN A 710 -0.271 4.328 3.679 1.00 0.24 O ATOM 1312 CB ASN A 710 -3.475 4.832 4.546 1.00 0.38 C ATOM 1313 CG ASN A 710 -2.702 5.859 5.361 1.00 0.81 C ATOM 1314 OD1 ASN A 710 -2.043 5.520 6.344 1.00 1.60 O ATOM 1315 ND2 ASN A 710 -2.776 7.122 4.968 1.00 1.45 N ATOM 0 H ASN A 710 -4.275 2.925 3.175 1.00 0.25 H new ATOM 0 HA ASN A 710 -2.465 5.008 2.657 1.00 0.29 H new ATOM 0 HB2 ASN A 710 -4.369 5.300 4.135 1.00 0.38 H new ATOM 0 HB3 ASN A 710 -3.809 4.030 5.204 1.00 0.38 H new ATOM 0 HD21 ASN A 710 -2.278 7.847 5.485 1.00 1.45 H new ATOM 0 HD22 ASN A 710 -3.331 7.370 4.149 1.00 1.45 H new ATOM 1322 N GLN A 711 -1.360 2.635 4.692 1.00 0.25 N ATOM 1323 CA GLN A 711 -0.158 2.040 5.267 1.00 0.26 C ATOM 1324 C GLN A 711 0.872 1.727 4.184 1.00 0.22 C ATOM 1325 O GLN A 711 2.015 2.181 4.248 1.00 0.22 O ATOM 1326 CB GLN A 711 -0.516 0.758 6.025 1.00 0.32 C ATOM 1327 CG GLN A 711 0.680 0.085 6.678 1.00 1.24 C ATOM 1328 CD GLN A 711 0.372 -1.306 7.216 1.00 1.30 C ATOM 1329 OE1 GLN A 711 -0.536 -2.024 6.564 1.00 1.83 O flip ATOM 1330 NE2 GLN A 711 0.961 -1.741 8.206 1.00 1.09 N flip ATOM 0 H GLN A 711 -2.222 2.138 4.917 1.00 0.25 H new ATOM 0 HA GLN A 711 0.277 2.761 5.959 1.00 0.26 H new ATOM 0 HB2 GLN A 711 -1.254 0.993 6.792 1.00 0.32 H new ATOM 0 HB3 GLN A 711 -0.985 0.057 5.335 1.00 0.32 H new ATOM 0 HG2 GLN A 711 1.489 0.014 5.951 1.00 1.24 H new ATOM 0 HG3 GLN A 711 1.039 0.711 7.495 1.00 1.24 H new ATOM 0 HE21 GLN A 711 1.653 -1.163 8.683 1.00 1.09 H new ATOM 0 HE22 GLN A 711 0.757 -2.680 8.549 1.00 1.09 H new ATOM 1339 N TYR A 712 0.464 0.944 3.196 1.00 0.20 N ATOM 1340 CA TYR A 712 1.367 0.546 2.123 1.00 0.20 C ATOM 1341 C TYR A 712 1.867 1.750 1.327 1.00 0.20 C ATOM 1342 O TYR A 712 3.004 1.752 0.859 1.00 0.21 O ATOM 1343 CB TYR A 712 0.709 -0.486 1.210 1.00 0.22 C ATOM 1344 CG TYR A 712 0.312 -1.748 1.946 1.00 0.24 C ATOM 1345 CD1 TYR A 712 1.118 -2.281 2.945 1.00 0.31 C ATOM 1346 CD2 TYR A 712 -0.871 -2.400 1.647 1.00 0.33 C ATOM 1347 CE1 TYR A 712 0.752 -3.426 3.622 1.00 0.36 C ATOM 1348 CE2 TYR A 712 -1.244 -3.547 2.319 1.00 0.38 C ATOM 1349 CZ TYR A 712 -0.430 -4.056 3.305 1.00 0.36 C ATOM 1350 OH TYR A 712 -0.801 -5.198 3.976 1.00 0.44 O ATOM 0 H TYR A 712 -0.482 0.572 3.114 1.00 0.20 H new ATOM 0 HA TYR A 712 2.238 0.082 2.585 1.00 0.20 H new ATOM 0 HB2 TYR A 712 -0.175 -0.046 0.749 1.00 0.22 H new ATOM 0 HB3 TYR A 712 1.396 -0.742 0.403 1.00 0.22 H new ATOM 0 HD1 TYR A 712 2.047 -1.790 3.196 1.00 0.31 H new ATOM 0 HD2 TYR A 712 -1.514 -2.005 0.874 1.00 0.33 H new ATOM 0 HE1 TYR A 712 1.390 -3.826 4.397 1.00 0.36 H new ATOM 0 HE2 TYR A 712 -2.171 -4.043 2.072 1.00 0.38 H new ATOM 0 HH TYR A 712 -0.441 -5.174 4.887 1.00 0.44 H new ATOM 1360 N TYR A 713 1.044 2.787 1.199 1.00 0.21 N ATOM 1361 CA TYR A 713 1.477 4.005 0.521 1.00 0.25 C ATOM 1362 C TYR A 713 2.502 4.733 1.391 1.00 0.23 C ATOM 1363 O TYR A 713 3.508 5.248 0.898 1.00 0.25 O ATOM 1364 CB TYR A 713 0.279 4.914 0.225 1.00 0.32 C ATOM 1365 CG TYR A 713 0.575 6.016 -0.767 1.00 0.73 C ATOM 1366 CD1 TYR A 713 0.607 7.348 -0.372 1.00 1.81 C ATOM 1367 CD2 TYR A 713 0.815 5.721 -2.103 1.00 0.96 C ATOM 1368 CE1 TYR A 713 0.870 8.355 -1.284 1.00 2.50 C ATOM 1369 CE2 TYR A 713 1.080 6.720 -3.018 1.00 1.50 C ATOM 1370 CZ TYR A 713 1.105 8.035 -2.604 1.00 2.20 C ATOM 1371 OH TYR A 713 1.363 9.035 -3.515 1.00 2.95 O ATOM 0 H TYR A 713 0.087 2.810 1.550 1.00 0.21 H new ATOM 0 HA TYR A 713 1.939 3.739 -0.430 1.00 0.25 H new ATOM 0 HB2 TYR A 713 -0.540 4.305 -0.157 1.00 0.32 H new ATOM 0 HB3 TYR A 713 -0.064 5.361 1.158 1.00 0.32 H new ATOM 0 HD1 TYR A 713 0.424 7.601 0.662 1.00 1.81 H new ATOM 0 HD2 TYR A 713 0.794 4.692 -2.431 1.00 0.96 H new ATOM 0 HE1 TYR A 713 0.891 9.386 -0.963 1.00 2.50 H new ATOM 0 HE2 TYR A 713 1.267 6.473 -4.053 1.00 1.50 H new ATOM 0 HH TYR A 713 2.302 9.306 -3.446 1.00 2.95 H new ATOM 1381 N GLN A 714 2.249 4.722 2.697 1.00 0.24 N ATOM 1382 CA GLN A 714 3.155 5.307 3.679 1.00 0.28 C ATOM 1383 C GLN A 714 4.478 4.551 3.691 1.00 0.23 C ATOM 1384 O GLN A 714 5.539 5.121 3.957 1.00 0.26 O ATOM 1385 CB GLN A 714 2.511 5.258 5.067 1.00 0.36 C ATOM 1386 CG GLN A 714 3.381 5.817 6.178 1.00 0.65 C ATOM 1387 CD GLN A 714 2.757 5.644 7.552 1.00 1.26 C ATOM 1388 OE1 GLN A 714 1.433 5.626 7.612 1.00 1.94 O flip ATOM 1389 NE2 GLN A 714 3.462 5.524 8.554 1.00 1.98 N flip ATOM 0 H GLN A 714 1.410 4.307 3.103 1.00 0.24 H new ATOM 0 HA GLN A 714 3.349 6.345 3.409 1.00 0.28 H new ATOM 0 HB2 GLN A 714 1.574 5.814 5.040 1.00 0.36 H new ATOM 0 HB3 GLN A 714 2.261 4.224 5.303 1.00 0.36 H new ATOM 0 HG2 GLN A 714 4.351 5.321 6.159 1.00 0.65 H new ATOM 0 HG3 GLN A 714 3.561 6.876 5.995 1.00 0.65 H new ATOM 0 HE21 GLN A 714 4.478 5.543 8.468 1.00 1.98 H new ATOM 0 HE22 GLN A 714 3.030 5.406 9.470 1.00 1.98 H new ATOM 1398 N LYS A 715 4.413 3.277 3.339 1.00 0.21 N ATOM 1399 CA LYS A 715 5.592 2.430 3.352 1.00 0.22 C ATOM 1400 C LYS A 715 6.303 2.540 2.014 1.00 0.20 C ATOM 1401 O LYS A 715 7.508 2.323 1.920 1.00 0.23 O ATOM 1402 CB LYS A 715 5.228 0.971 3.654 1.00 0.27 C ATOM 1403 CG LYS A 715 5.620 0.501 5.056 1.00 0.61 C ATOM 1404 CD LYS A 715 4.972 1.340 6.153 1.00 0.86 C ATOM 1405 CE LYS A 715 5.362 0.843 7.539 1.00 1.16 C ATOM 1406 NZ LYS A 715 6.832 0.881 7.753 1.00 1.67 N ATOM 0 H LYS A 715 3.557 2.808 3.041 1.00 0.21 H new ATOM 0 HA LYS A 715 6.258 2.768 4.146 1.00 0.22 H new ATOM 0 HB2 LYS A 715 4.153 0.844 3.528 1.00 0.27 H new ATOM 0 HB3 LYS A 715 5.713 0.328 2.919 1.00 0.27 H new ATOM 0 HG2 LYS A 715 5.330 -0.542 5.181 1.00 0.61 H new ATOM 0 HG3 LYS A 715 6.704 0.545 5.161 1.00 0.61 H new ATOM 0 HD2 LYS A 715 5.272 2.382 6.041 1.00 0.86 H new ATOM 0 HD3 LYS A 715 3.888 1.307 6.045 1.00 0.86 H new ATOM 0 HE2 LYS A 715 4.870 1.455 8.295 1.00 1.16 H new ATOM 0 HE3 LYS A 715 5.003 -0.178 7.672 1.00 1.16 H new ATOM 0 HZ1 LYS A 715 7.047 0.615 8.735 1.00 1.67 H new ATOM 0 HZ2 LYS A 715 7.295 0.212 7.105 1.00 1.67 H new ATOM 0 HZ3 LYS A 715 7.185 1.842 7.569 1.00 1.67 H new ATOM 1420 N ALA A 716 5.544 2.888 0.980 1.00 0.17 N ATOM 1421 CA ALA A 716 6.118 3.170 -0.321 1.00 0.18 C ATOM 1422 C ALA A 716 6.953 4.437 -0.248 1.00 0.21 C ATOM 1423 O ALA A 716 8.096 4.471 -0.716 1.00 0.25 O ATOM 1424 CB ALA A 716 5.026 3.305 -1.370 1.00 0.21 C ATOM 0 H ALA A 716 4.529 2.980 1.023 1.00 0.17 H new ATOM 0 HA ALA A 716 6.762 2.340 -0.612 1.00 0.18 H new ATOM 0 HB1 ALA A 716 5.477 3.517 -2.340 1.00 0.21 H new ATOM 0 HB2 ALA A 716 4.460 2.375 -1.428 1.00 0.21 H new ATOM 0 HB3 ALA A 716 4.357 4.120 -1.096 1.00 0.21 H new ATOM 1430 N GLU A 717 6.384 5.472 0.366 1.00 0.24 N ATOM 1431 CA GLU A 717 7.111 6.707 0.588 1.00 0.32 C ATOM 1432 C GLU A 717 8.317 6.445 1.473 1.00 0.31 C ATOM 1433 O GLU A 717 9.411 6.915 1.187 1.00 0.33 O ATOM 1434 CB GLU A 717 6.221 7.761 1.241 1.00 0.45 C ATOM 1435 CG GLU A 717 5.078 8.243 0.367 1.00 1.26 C ATOM 1436 CD GLU A 717 4.341 9.409 0.994 1.00 1.60 C ATOM 1437 OE1 GLU A 717 4.701 9.816 2.112 1.00 2.16 O ATOM 1438 OE2 GLU A 717 3.377 9.913 0.372 1.00 2.04 O ATOM 0 H GLU A 717 5.426 5.475 0.715 1.00 0.24 H new ATOM 0 HA GLU A 717 7.439 7.084 -0.381 1.00 0.32 H new ATOM 0 HB2 GLU A 717 5.809 7.351 2.163 1.00 0.45 H new ATOM 0 HB3 GLU A 717 6.836 8.617 1.519 1.00 0.45 H new ATOM 0 HG2 GLU A 717 5.466 8.540 -0.607 1.00 1.26 H new ATOM 0 HG3 GLU A 717 4.381 7.423 0.196 1.00 1.26 H new ATOM 1445 N GLU A 718 8.102 5.679 2.539 1.00 0.31 N ATOM 1446 CA GLU A 718 9.174 5.292 3.451 1.00 0.36 C ATOM 1447 C GLU A 718 10.313 4.621 2.690 1.00 0.33 C ATOM 1448 O GLU A 718 11.483 4.966 2.859 1.00 0.36 O ATOM 1449 CB GLU A 718 8.623 4.334 4.504 1.00 0.43 C ATOM 1450 CG GLU A 718 9.643 3.872 5.527 1.00 1.06 C ATOM 1451 CD GLU A 718 9.080 2.808 6.444 1.00 1.46 C ATOM 1452 OE1 GLU A 718 8.233 3.136 7.301 1.00 1.75 O ATOM 1453 OE2 GLU A 718 9.492 1.638 6.326 1.00 2.20 O ATOM 0 H GLU A 718 7.186 5.311 2.794 1.00 0.31 H new ATOM 0 HA GLU A 718 9.563 6.188 3.935 1.00 0.36 H new ATOM 0 HB2 GLU A 718 7.799 4.821 5.025 1.00 0.43 H new ATOM 0 HB3 GLU A 718 8.209 3.460 4.001 1.00 0.43 H new ATOM 0 HG2 GLU A 718 10.521 3.481 5.013 1.00 1.06 H new ATOM 0 HG3 GLU A 718 9.974 4.724 6.120 1.00 1.06 H new ATOM 1460 N ALA A 719 9.951 3.668 1.840 1.00 0.28 N ATOM 1461 CA ALA A 719 10.922 2.915 1.062 1.00 0.29 C ATOM 1462 C ALA A 719 11.738 3.820 0.149 1.00 0.30 C ATOM 1463 O ALA A 719 12.957 3.690 0.068 1.00 0.37 O ATOM 1464 CB ALA A 719 10.222 1.845 0.248 1.00 0.28 C ATOM 0 H ALA A 719 8.982 3.398 1.672 1.00 0.28 H new ATOM 0 HA ALA A 719 11.612 2.443 1.761 1.00 0.29 H new ATOM 0 HB1 ALA A 719 10.959 1.288 -0.330 1.00 0.28 H new ATOM 0 HB2 ALA A 719 9.696 1.164 0.917 1.00 0.28 H new ATOM 0 HB3 ALA A 719 9.507 2.312 -0.429 1.00 0.28 H new ATOM 1470 N TRP A 720 11.078 4.741 -0.536 1.00 0.26 N ATOM 1471 CA TRP A 720 11.790 5.633 -1.444 1.00 0.28 C ATOM 1472 C TRP A 720 12.500 6.756 -0.685 1.00 0.33 C ATOM 1473 O TRP A 720 13.513 7.282 -1.147 1.00 0.36 O ATOM 1474 CB TRP A 720 10.852 6.197 -2.515 1.00 0.29 C ATOM 1475 CG TRP A 720 10.418 5.160 -3.517 1.00 0.28 C ATOM 1476 CD1 TRP A 720 11.126 4.053 -3.909 1.00 0.31 C ATOM 1477 CD2 TRP A 720 9.196 5.138 -4.274 1.00 0.32 C ATOM 1478 NE1 TRP A 720 10.415 3.344 -4.845 1.00 0.34 N ATOM 1479 CE2 TRP A 720 9.232 3.989 -5.089 1.00 0.33 C ATOM 1480 CE3 TRP A 720 8.072 5.971 -4.340 1.00 0.40 C ATOM 1481 CZ2 TRP A 720 8.195 3.657 -5.957 1.00 0.40 C ATOM 1482 CZ3 TRP A 720 7.046 5.640 -5.203 1.00 0.47 C ATOM 1483 CH2 TRP A 720 7.112 4.490 -6.000 1.00 0.45 C ATOM 0 H TRP A 720 10.070 4.891 -0.485 1.00 0.26 H new ATOM 0 HA TRP A 720 12.556 5.043 -1.948 1.00 0.28 H new ATOM 0 HB2 TRP A 720 9.971 6.621 -2.033 1.00 0.29 H new ATOM 0 HB3 TRP A 720 11.353 7.012 -3.037 1.00 0.29 H new ATOM 0 HD1 TRP A 720 12.102 3.779 -3.535 1.00 0.31 H new ATOM 0 HE1 TRP A 720 10.719 2.477 -5.287 1.00 0.34 H new ATOM 0 HE3 TRP A 720 8.009 6.857 -3.726 1.00 0.40 H new ATOM 0 HZ2 TRP A 720 8.245 2.772 -6.575 1.00 0.40 H new ATOM 0 HZ3 TRP A 720 6.177 6.279 -5.265 1.00 0.47 H new ATOM 0 HH2 TRP A 720 6.291 4.257 -6.662 1.00 0.45 H new ATOM 1494 N ALA A 721 11.980 7.113 0.482 1.00 0.39 N ATOM 1495 CA ALA A 721 12.639 8.084 1.348 1.00 0.49 C ATOM 1496 C ALA A 721 13.869 7.461 1.993 1.00 0.57 C ATOM 1497 O ALA A 721 14.788 8.159 2.421 1.00 0.64 O ATOM 1498 CB ALA A 721 11.679 8.599 2.410 1.00 0.58 C ATOM 0 H ALA A 721 11.103 6.745 0.852 1.00 0.39 H new ATOM 0 HA ALA A 721 12.955 8.932 0.740 1.00 0.49 H new ATOM 0 HB1 ALA A 721 12.192 9.322 3.044 1.00 0.58 H new ATOM 0 HB2 ALA A 721 10.827 9.079 1.928 1.00 0.58 H new ATOM 0 HB3 ALA A 721 11.329 7.766 3.019 1.00 0.58 H new ATOM 1504 N GLN A 722 13.869 6.134 2.061 1.00 0.64 N ATOM 1505 CA GLN A 722 15.007 5.376 2.568 1.00 0.84 C ATOM 1506 C GLN A 722 16.239 5.587 1.685 1.00 0.87 C ATOM 1507 O GLN A 722 17.373 5.415 2.132 1.00 1.25 O ATOM 1508 CB GLN A 722 14.653 3.886 2.630 1.00 1.18 C ATOM 1509 CG GLN A 722 15.669 3.033 3.373 1.00 1.44 C ATOM 1510 CD GLN A 722 15.737 3.345 4.859 1.00 1.91 C ATOM 1511 OE1 GLN A 722 14.623 3.783 5.433 1.00 2.38 O flip ATOM 1512 NE2 GLN A 722 16.782 3.187 5.489 1.00 2.33 N flip ATOM 0 H GLN A 722 13.082 5.555 1.767 1.00 0.64 H new ATOM 0 HA GLN A 722 15.241 5.733 3.571 1.00 0.84 H new ATOM 0 HB2 GLN A 722 13.681 3.775 3.111 1.00 1.18 H new ATOM 0 HB3 GLN A 722 14.551 3.506 1.614 1.00 1.18 H new ATOM 0 HG2 GLN A 722 15.418 1.981 3.240 1.00 1.44 H new ATOM 0 HG3 GLN A 722 16.654 3.184 2.931 1.00 1.44 H new ATOM 0 HE21 GLN A 722 17.618 2.848 5.013 1.00 2.33 H new ATOM 0 HE22 GLN A 722 16.812 3.395 6.487 1.00 2.33 H new ATOM 1521 N MET A 723 16.013 5.981 0.432 1.00 0.99 N ATOM 1522 CA MET A 723 17.109 6.211 -0.508 1.00 1.31 C ATOM 1523 C MET A 723 17.883 7.472 -0.136 1.00 1.98 C ATOM 1524 O MET A 723 19.013 7.673 -0.578 1.00 2.42 O ATOM 1525 CB MET A 723 16.591 6.337 -1.946 1.00 1.25 C ATOM 1526 CG MET A 723 15.809 5.126 -2.436 1.00 0.96 C ATOM 1527 SD MET A 723 15.418 5.205 -4.199 1.00 1.60 S ATOM 1528 CE MET A 723 14.679 6.833 -4.336 1.00 2.19 C ATOM 0 H MET A 723 15.084 6.147 0.046 1.00 0.99 H new ATOM 0 HA MET A 723 17.774 5.349 -0.450 1.00 1.31 H new ATOM 0 HB2 MET A 723 15.954 7.219 -2.015 1.00 1.25 H new ATOM 0 HB3 MET A 723 17.438 6.503 -2.612 1.00 1.25 H new ATOM 0 HG2 MET A 723 16.386 4.223 -2.237 1.00 0.96 H new ATOM 0 HG3 MET A 723 14.883 5.044 -1.867 1.00 0.96 H new ATOM 0 HE1 MET A 723 14.262 6.961 -5.335 1.00 2.19 H new ATOM 0 HE2 MET A 723 13.885 6.936 -3.596 1.00 2.19 H new ATOM 0 HE3 MET A 723 15.440 7.594 -4.160 1.00 2.19 H new ATOM 1538 N GLU A 724 17.268 8.319 0.677 1.00 2.33 N ATOM 1539 CA GLU A 724 17.905 9.545 1.132 1.00 3.03 C ATOM 1540 C GLU A 724 17.937 9.593 2.654 1.00 3.35 C ATOM 1541 O GLU A 724 17.974 10.667 3.258 1.00 3.82 O ATOM 1542 CB GLU A 724 17.168 10.765 0.579 1.00 3.31 C ATOM 1543 CG GLU A 724 15.691 10.799 0.933 1.00 3.60 C ATOM 1544 CD GLU A 724 15.023 12.089 0.514 1.00 4.24 C ATOM 1545 OE1 GLU A 724 14.771 12.270 -0.696 1.00 4.88 O ATOM 1546 OE2 GLU A 724 14.743 12.928 1.393 1.00 4.47 O ATOM 0 H GLU A 724 16.324 8.178 1.036 1.00 2.33 H new ATOM 0 HA GLU A 724 18.930 9.560 0.762 1.00 3.03 H new ATOM 0 HB2 GLU A 724 17.644 11.669 0.959 1.00 3.31 H new ATOM 0 HB3 GLU A 724 17.273 10.781 -0.506 1.00 3.31 H new ATOM 0 HG2 GLU A 724 15.187 9.960 0.453 1.00 3.60 H new ATOM 0 HG3 GLU A 724 15.576 10.667 2.009 1.00 3.60 H new ATOM 1553 N GLU A 725 17.930 8.420 3.266 1.00 3.48 N ATOM 1554 CA GLU A 725 17.922 8.311 4.716 1.00 4.01 C ATOM 1555 C GLU A 725 19.348 8.401 5.246 1.00 4.63 C ATOM 1556 O GLU A 725 19.657 9.374 5.962 1.00 5.05 O ATOM 1557 CB GLU A 725 17.272 6.993 5.154 1.00 4.09 C ATOM 1558 CG GLU A 725 17.008 6.898 6.650 1.00 4.80 C ATOM 1559 CD GLU A 725 16.000 7.922 7.131 1.00 5.11 C ATOM 1560 OE1 GLU A 725 14.810 7.820 6.754 1.00 5.31 O ATOM 1561 OE2 GLU A 725 16.385 8.831 7.897 1.00 5.52 O ATOM 1562 OXT GLU A 725 20.161 7.517 4.907 1.00 5.02 O ATOM 0 H GLU A 725 17.930 7.525 2.778 1.00 3.48 H new ATOM 0 HA GLU A 725 17.336 9.133 5.128 1.00 4.01 H new ATOM 0 HB2 GLU A 725 16.329 6.870 4.621 1.00 4.09 H new ATOM 0 HB3 GLU A 725 17.916 6.166 4.856 1.00 4.09 H new ATOM 0 HG2 GLU A 725 16.646 5.898 6.888 1.00 4.80 H new ATOM 0 HG3 GLU A 725 17.945 7.035 7.190 1.00 4.80 H new TER 1569 GLU A 725