USER MOD reduce.3.24.130724 H: found=0, std=0, add=818, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 819 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 649 GLN : amide:sc= -1.88! C(o=-11!,f=-15!) USER MOD Set 1.2: A 702 MET CE :methyl 176:sc= -9.13! (180deg=-9.13!) USER MOD Single : A 623 SER OG : rot 180:sc= -0.0386 USER MOD Single : A 624 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 625 SER OG : rot -114:sc= 0.915 USER MOD Single : A 626 GLN : amide:sc= -0.093 K(o=-0.093,f=-0.78) USER MOD Single : A 630 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 631 ASN : amide:sc= 0.988 K(o=0.99,f=-7.2!) USER MOD Single : A 633 ASN :FLIP amide:sc= -1.74 F(o=-3.4,f=-1.7) USER MOD Single : A 634 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 638 SER OG : rot 180:sc= 0 USER MOD Single : A 642 ASN : amide:sc= 0.00043 X(o=0.00043,f=0) USER MOD Single : A 645 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 646 LYS NZ :NH3+ -164:sc= -0.0389 (180deg=-0.333) USER MOD Single : A 647 ASN : amide:sc= -1.05 X(o=-1.1,f=-0.98) USER MOD Single : A 650 SER OG : rot 150:sc= -0.164 USER MOD Single : A 651 LYS NZ :NH3+ 157:sc= -0.102 (180deg=-0.53) USER MOD Single : A 652 GLN :FLIP amide:sc= 0 F(o=-0.63,f=0) USER MOD Single : A 655 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 657 ASN : amide:sc= -4.5! C(o=-4.5!,f=-8.7!) USER MOD Single : A 659 LYS NZ :NH3+ -128:sc= -0.958 (180deg=-1.08) USER MOD Single : A 660 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 661 CYS SG : rot 80:sc= -3.38! USER MOD Single : A 663 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 667 LYS NZ :NH3+ 173:sc= 1.15 (180deg=1.04) USER MOD Single : A 670 THR OG1 : rot 85:sc= 1.74 USER MOD Single : A 671 THR OG1 : rot 74:sc= 1.27 USER MOD Single : A 672 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 675 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 676 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 678 SER OG : rot 180:sc= 0.0233 USER MOD Single : A 679 SER OG : rot 180:sc= 0 USER MOD Single : A 687 THR OG1 : rot 180:sc= 0.0089 USER MOD Single : A 688 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 690 LYS NZ :NH3+ -137:sc= 1.19 (180deg=-0.987!) USER MOD Single : A 692 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 693 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 695 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 699 ASN : amide:sc= -0.192 X(o=-0.19,f=0) USER MOD Single : A 700 SER OG : rot 180:sc= 0 USER MOD Single : A 701 TYR OH : rot 24:sc= 0.63 USER MOD Single : A 704 LYS NZ :NH3+ 135:sc= -0.172 (180deg=-0.69) USER MOD Single : A 708 LYS NZ :NH3+ 127:sc= -0.07 (180deg=-0.513) USER MOD Single : A 709 LYS NZ :NH3+ -172:sc= 2.29 (180deg=2.25) USER MOD Single : A 710 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 711 GLN : amide:sc= -0.179 X(o=-0.18,f=-0.44) USER MOD Single : A 712 LYS NZ :NH3+ 169:sc= -0.0149 (180deg=-0.159) USER MOD Single : A 713 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 622 20.010 13.936 -2.911 1.00 1.94 N ATOM 2 CA VAL A 622 21.011 12.975 -3.345 1.00 1.87 C ATOM 3 C VAL A 622 21.306 11.995 -2.214 1.00 1.27 C ATOM 4 O VAL A 622 22.187 12.223 -1.385 1.00 1.84 O ATOM 5 CB VAL A 622 22.318 13.667 -3.788 1.00 2.83 C ATOM 6 CG1 VAL A 622 23.299 12.654 -4.362 1.00 3.22 C ATOM 7 CG2 VAL A 622 22.027 14.761 -4.805 1.00 3.60 C ATOM 0 HA VAL A 622 20.609 12.441 -4.206 1.00 1.87 H new ATOM 0 HB VAL A 622 22.774 14.124 -2.910 1.00 2.83 H new ATOM 0 HG11 VAL A 622 24.212 13.165 -4.667 1.00 3.22 H new ATOM 0 HG12 VAL A 622 23.537 11.908 -3.604 1.00 3.22 H new ATOM 0 HG13 VAL A 622 22.851 12.163 -5.226 1.00 3.22 H new ATOM 0 HG21 VAL A 622 22.961 15.237 -5.105 1.00 3.60 H new ATOM 0 HG22 VAL A 622 21.544 14.325 -5.680 1.00 3.60 H new ATOM 0 HG23 VAL A 622 21.367 15.506 -4.360 1.00 3.60 H new ATOM 17 N SER A 623 20.533 10.925 -2.162 1.00 1.02 N ATOM 18 CA SER A 623 20.686 9.913 -1.128 1.00 1.18 C ATOM 19 C SER A 623 20.271 8.549 -1.673 1.00 1.02 C ATOM 20 O SER A 623 19.316 8.441 -2.446 1.00 0.92 O ATOM 21 CB SER A 623 19.832 10.279 0.092 1.00 1.71 C ATOM 22 OG SER A 623 20.152 11.575 0.570 1.00 2.21 O ATOM 0 H SER A 623 19.786 10.732 -2.829 1.00 1.02 H new ATOM 0 HA SER A 623 21.732 9.868 -0.823 1.00 1.18 H new ATOM 0 HB2 SER A 623 18.776 10.237 -0.174 1.00 1.71 H new ATOM 0 HB3 SER A 623 19.991 9.547 0.884 1.00 1.71 H new ATOM 0 HG SER A 623 19.592 11.785 1.347 1.00 2.21 H new ATOM 28 N GLN A 624 21.003 7.513 -1.278 1.00 1.06 N ATOM 29 CA GLN A 624 20.733 6.157 -1.735 1.00 1.00 C ATOM 30 C GLN A 624 19.394 5.672 -1.193 1.00 0.86 C ATOM 31 O GLN A 624 18.708 4.872 -1.825 1.00 0.81 O ATOM 32 CB GLN A 624 21.856 5.209 -1.311 1.00 1.20 C ATOM 33 CG GLN A 624 21.766 3.840 -1.965 1.00 1.55 C ATOM 34 CD GLN A 624 22.977 2.977 -1.679 1.00 1.93 C ATOM 35 OE1 GLN A 624 23.000 2.207 -0.718 1.00 2.38 O ATOM 36 NE2 GLN A 624 23.995 3.097 -2.514 1.00 2.65 N ATOM 0 H GLN A 624 21.793 7.589 -0.638 1.00 1.06 H new ATOM 0 HA GLN A 624 20.686 6.165 -2.824 1.00 1.00 H new ATOM 0 HB2 GLN A 624 22.816 5.660 -1.560 1.00 1.20 H new ATOM 0 HB3 GLN A 624 21.831 5.089 -0.228 1.00 1.20 H new ATOM 0 HG2 GLN A 624 20.870 3.331 -1.611 1.00 1.55 H new ATOM 0 HG3 GLN A 624 21.658 3.963 -3.043 1.00 1.55 H new ATOM 0 HE21 GLN A 624 23.937 3.746 -3.299 1.00 2.65 H new ATOM 0 HE22 GLN A 624 24.838 2.540 -2.374 1.00 2.65 H new ATOM 45 N SER A 625 19.031 6.176 -0.022 1.00 0.89 N ATOM 46 CA SER A 625 17.752 5.860 0.598 1.00 0.85 C ATOM 47 C SER A 625 16.589 6.312 -0.282 1.00 0.73 C ATOM 48 O SER A 625 15.517 5.714 -0.266 1.00 0.72 O ATOM 49 CB SER A 625 17.666 6.534 1.964 1.00 1.01 C ATOM 50 OG SER A 625 18.769 6.173 2.774 1.00 1.35 O ATOM 0 H SER A 625 19.612 6.813 0.523 1.00 0.89 H new ATOM 0 HA SER A 625 17.684 4.779 0.719 1.00 0.85 H new ATOM 0 HB2 SER A 625 17.640 7.617 1.839 1.00 1.01 H new ATOM 0 HB3 SER A 625 16.737 6.248 2.458 1.00 1.01 H new ATOM 0 HG SER A 625 18.455 5.647 3.539 1.00 1.35 H new ATOM 56 N GLN A 626 16.816 7.360 -1.069 1.00 0.72 N ATOM 57 CA GLN A 626 15.786 7.890 -1.952 1.00 0.71 C ATOM 58 C GLN A 626 15.489 6.897 -3.073 1.00 0.60 C ATOM 59 O GLN A 626 14.368 6.821 -3.578 1.00 0.65 O ATOM 60 CB GLN A 626 16.230 9.233 -2.541 1.00 0.81 C ATOM 61 CG GLN A 626 15.164 9.904 -3.388 1.00 1.52 C ATOM 62 CD GLN A 626 13.911 10.217 -2.595 1.00 1.83 C ATOM 63 OE1 GLN A 626 13.972 10.477 -1.393 1.00 2.34 O ATOM 64 NE2 GLN A 626 12.771 10.192 -3.261 1.00 2.37 N ATOM 0 H GLN A 626 17.705 7.858 -1.112 1.00 0.72 H new ATOM 0 HA GLN A 626 14.877 8.046 -1.371 1.00 0.71 H new ATOM 0 HB2 GLN A 626 16.511 9.902 -1.728 1.00 0.81 H new ATOM 0 HB3 GLN A 626 17.121 9.077 -3.149 1.00 0.81 H new ATOM 0 HG2 GLN A 626 15.565 10.826 -3.809 1.00 1.52 H new ATOM 0 HG3 GLN A 626 14.908 9.256 -4.226 1.00 1.52 H new ATOM 0 HE21 GLN A 626 12.767 9.972 -4.257 1.00 2.37 H new ATOM 0 HE22 GLN A 626 11.895 10.393 -2.780 1.00 2.37 H new ATOM 73 N ARG A 627 16.502 6.123 -3.441 1.00 0.56 N ATOM 74 CA ARG A 627 16.359 5.127 -4.491 1.00 0.52 C ATOM 75 C ARG A 627 15.546 3.944 -3.972 1.00 0.40 C ATOM 76 O ARG A 627 14.898 3.233 -4.740 1.00 0.40 O ATOM 77 CB ARG A 627 17.735 4.645 -4.957 1.00 0.66 C ATOM 78 CG ARG A 627 17.696 3.804 -6.223 1.00 1.31 C ATOM 79 CD ARG A 627 18.915 2.902 -6.324 1.00 1.53 C ATOM 80 NE ARG A 627 18.911 1.890 -5.265 1.00 2.41 N ATOM 81 CZ ARG A 627 20.005 1.399 -4.683 1.00 2.91 C ATOM 82 NH1 ARG A 627 21.211 1.774 -5.090 1.00 2.66 N ATOM 83 NH2 ARG A 627 19.889 0.510 -3.705 1.00 4.02 N ATOM 0 H ARG A 627 17.433 6.167 -3.026 1.00 0.56 H new ATOM 0 HA ARG A 627 15.840 5.579 -5.336 1.00 0.52 H new ATOM 0 HB2 ARG A 627 18.374 5.511 -5.127 1.00 0.66 H new ATOM 0 HB3 ARG A 627 18.194 4.062 -4.159 1.00 0.66 H new ATOM 0 HG2 ARG A 627 16.790 3.197 -6.232 1.00 1.31 H new ATOM 0 HG3 ARG A 627 17.651 4.457 -7.095 1.00 1.31 H new ATOM 0 HD2 ARG A 627 18.930 2.413 -7.298 1.00 1.53 H new ATOM 0 HD3 ARG A 627 19.822 3.502 -6.254 1.00 1.53 H new ATOM 0 HE ARG A 627 18.007 1.536 -4.951 1.00 2.41 H new ATOM 0 HH11 ARG A 627 21.306 2.443 -5.854 1.00 2.66 H new ATOM 0 HH12 ARG A 627 22.043 1.393 -4.639 1.00 2.66 H new ATOM 0 HH21 ARG A 627 18.965 0.204 -3.401 1.00 4.02 H new ATOM 0 HH22 ARG A 627 20.724 0.132 -3.257 1.00 4.02 H new ATOM 97 N LEU A 628 15.574 3.751 -2.650 1.00 0.38 N ATOM 98 CA LEU A 628 14.895 2.619 -2.029 1.00 0.36 C ATOM 99 C LEU A 628 13.392 2.689 -2.194 1.00 0.27 C ATOM 100 O LEU A 628 12.730 1.666 -2.111 1.00 0.29 O ATOM 101 CB LEU A 628 15.230 2.482 -0.548 1.00 0.49 C ATOM 102 CG LEU A 628 16.508 1.709 -0.244 1.00 0.62 C ATOM 103 CD1 LEU A 628 16.564 1.361 1.231 1.00 1.13 C ATOM 104 CD2 LEU A 628 16.600 0.446 -1.090 1.00 1.48 C ATOM 0 H LEU A 628 16.059 4.364 -1.994 1.00 0.38 H new ATOM 0 HA LEU A 628 15.265 1.738 -2.554 1.00 0.36 H new ATOM 0 HB2 LEU A 628 15.316 3.479 -0.117 1.00 0.49 H new ATOM 0 HB3 LEU A 628 14.397 1.989 -0.047 1.00 0.49 H new ATOM 0 HG LEU A 628 17.359 2.342 -0.494 1.00 0.62 H new ATOM 0 HD11 LEU A 628 17.480 0.809 1.440 1.00 1.13 H new ATOM 0 HD12 LEU A 628 16.550 2.277 1.822 1.00 1.13 H new ATOM 0 HD13 LEU A 628 15.702 0.747 1.493 1.00 1.13 H new ATOM 0 HD21 LEU A 628 17.522 -0.085 -0.852 1.00 1.48 H new ATOM 0 HD22 LEU A 628 15.746 -0.197 -0.878 1.00 1.48 H new ATOM 0 HD23 LEU A 628 16.599 0.715 -2.146 1.00 1.48 H new ATOM 116 N GLU A 629 12.848 3.876 -2.426 1.00 0.29 N ATOM 117 CA GLU A 629 11.426 3.977 -2.716 1.00 0.34 C ATOM 118 C GLU A 629 11.121 3.191 -3.981 1.00 0.30 C ATOM 119 O GLU A 629 10.194 2.398 -4.014 1.00 0.33 O ATOM 120 CB GLU A 629 10.978 5.431 -2.874 1.00 0.50 C ATOM 121 CG GLU A 629 10.768 6.159 -1.557 1.00 0.68 C ATOM 122 CD GLU A 629 10.046 7.481 -1.745 1.00 0.94 C ATOM 123 OE1 GLU A 629 8.806 7.479 -1.884 1.00 1.24 O ATOM 124 OE2 GLU A 629 10.718 8.534 -1.740 1.00 1.03 O ATOM 0 H GLU A 629 13.355 4.761 -2.420 1.00 0.29 H new ATOM 0 HA GLU A 629 10.873 3.561 -1.874 1.00 0.34 H new ATOM 0 HB2 GLU A 629 11.724 5.969 -3.460 1.00 0.50 H new ATOM 0 HB3 GLU A 629 10.048 5.454 -3.443 1.00 0.50 H new ATOM 0 HG2 GLU A 629 10.194 5.526 -0.881 1.00 0.68 H new ATOM 0 HG3 GLU A 629 11.734 6.338 -1.084 1.00 0.68 H new ATOM 131 N HIS A 630 11.950 3.387 -4.998 1.00 0.29 N ATOM 132 CA HIS A 630 11.835 2.651 -6.253 1.00 0.35 C ATOM 133 C HIS A 630 12.111 1.164 -6.039 1.00 0.27 C ATOM 134 O HIS A 630 11.432 0.312 -6.614 1.00 0.28 O ATOM 135 CB HIS A 630 12.799 3.226 -7.300 1.00 0.47 C ATOM 136 CG HIS A 630 12.842 2.449 -8.584 1.00 1.05 C ATOM 137 ND1 HIS A 630 11.911 2.598 -9.591 1.00 1.52 N ATOM 138 CD2 HIS A 630 13.711 1.505 -9.018 1.00 1.71 C ATOM 139 CE1 HIS A 630 12.206 1.781 -10.584 1.00 2.20 C ATOM 140 NE2 HIS A 630 13.292 1.109 -10.260 1.00 2.35 N ATOM 0 H HIS A 630 12.718 4.057 -4.978 1.00 0.29 H new ATOM 0 HA HIS A 630 10.814 2.760 -6.619 1.00 0.35 H new ATOM 0 HB2 HIS A 630 12.510 4.254 -7.519 1.00 0.47 H new ATOM 0 HB3 HIS A 630 13.802 3.261 -6.875 1.00 0.47 H new ATOM 0 HD2 HIS A 630 14.573 1.134 -8.484 1.00 1.71 H new ATOM 0 HE1 HIS A 630 11.652 1.680 -11.505 1.00 2.20 H new ATOM 0 HE2 HIS A 630 13.748 0.406 -10.842 1.00 2.35 H new ATOM 149 N ASN A 631 13.118 0.852 -5.226 1.00 0.23 N ATOM 150 CA ASN A 631 13.424 -0.544 -4.913 1.00 0.21 C ATOM 151 C ASN A 631 12.256 -1.191 -4.188 1.00 0.15 C ATOM 152 O ASN A 631 11.868 -2.320 -4.484 1.00 0.17 O ATOM 153 CB ASN A 631 14.680 -0.664 -4.046 1.00 0.25 C ATOM 154 CG ASN A 631 15.953 -0.360 -4.803 1.00 0.35 C ATOM 155 OD1 ASN A 631 16.464 0.757 -4.762 1.00 0.59 O ATOM 156 ND2 ASN A 631 16.465 -1.350 -5.512 1.00 0.77 N ATOM 0 H ASN A 631 13.729 1.535 -4.777 1.00 0.23 H new ATOM 0 HA ASN A 631 13.603 -1.057 -5.858 1.00 0.21 H new ATOM 0 HB2 ASN A 631 14.596 0.017 -3.199 1.00 0.25 H new ATOM 0 HB3 ASN A 631 14.738 -1.673 -3.639 1.00 0.25 H new ATOM 0 HD21 ASN A 631 17.317 -1.202 -6.053 1.00 0.77 H new ATOM 0 HD22 ASN A 631 16.009 -2.262 -5.518 1.00 0.77 H new ATOM 163 N TRP A 632 11.702 -0.461 -3.234 1.00 0.15 N ATOM 164 CA TRP A 632 10.525 -0.909 -2.515 1.00 0.16 C ATOM 165 C TRP A 632 9.327 -1.052 -3.452 1.00 0.20 C ATOM 166 O TRP A 632 8.527 -1.975 -3.303 1.00 0.23 O ATOM 167 CB TRP A 632 10.193 0.048 -1.376 1.00 0.21 C ATOM 168 CG TRP A 632 10.825 -0.346 -0.078 1.00 0.21 C ATOM 169 CD1 TRP A 632 11.886 0.241 0.549 1.00 0.24 C ATOM 170 CD2 TRP A 632 10.420 -1.429 0.753 1.00 0.21 C ATOM 171 NE1 TRP A 632 12.160 -0.416 1.723 1.00 0.25 N ATOM 172 CE2 TRP A 632 11.274 -1.448 1.867 1.00 0.23 C ATOM 173 CE3 TRP A 632 9.418 -2.388 0.656 1.00 0.24 C ATOM 174 CZ2 TRP A 632 11.145 -2.390 2.881 1.00 0.26 C ATOM 175 CZ3 TRP A 632 9.291 -3.320 1.660 1.00 0.29 C ATOM 176 CH2 TRP A 632 10.149 -3.318 2.757 1.00 0.29 C ATOM 0 H TRP A 632 12.053 0.450 -2.939 1.00 0.15 H new ATOM 0 HA TRP A 632 10.746 -1.890 -2.094 1.00 0.16 H new ATOM 0 HB2 TRP A 632 10.523 1.052 -1.644 1.00 0.21 H new ATOM 0 HB3 TRP A 632 9.111 0.091 -1.249 1.00 0.21 H new ATOM 0 HD1 TRP A 632 12.430 1.096 0.176 1.00 0.24 H new ATOM 0 HE1 TRP A 632 12.902 -0.174 2.380 1.00 0.25 H new ATOM 0 HE3 TRP A 632 8.751 -2.401 -0.193 1.00 0.24 H new ATOM 0 HZ2 TRP A 632 11.807 -2.389 3.735 1.00 0.26 H new ATOM 0 HZ3 TRP A 632 8.513 -4.066 1.596 1.00 0.29 H new ATOM 0 HH2 TRP A 632 10.025 -4.066 3.526 1.00 0.29 H new ATOM 187 N ASN A 633 9.207 -0.138 -4.415 1.00 0.22 N ATOM 188 CA ASN A 633 8.149 -0.221 -5.421 1.00 0.29 C ATOM 189 C ASN A 633 8.243 -1.543 -6.167 1.00 0.29 C ATOM 190 O ASN A 633 7.236 -2.203 -6.407 1.00 0.33 O ATOM 191 CB ASN A 633 8.223 0.925 -6.444 1.00 0.36 C ATOM 192 CG ASN A 633 8.001 2.311 -5.860 1.00 0.41 C ATOM 193 OD1 ASN A 633 7.357 2.394 -4.708 1.00 0.47 O flip ATOM 194 ND2 ASN A 633 8.439 3.308 -6.437 1.00 0.42 N flip ATOM 0 H ASN A 633 9.827 0.665 -4.519 1.00 0.22 H new ATOM 0 HA ASN A 633 7.201 -0.144 -4.889 1.00 0.29 H new ATOM 0 HB2 ASN A 633 9.200 0.901 -6.927 1.00 0.36 H new ATOM 0 HB3 ASN A 633 7.479 0.749 -7.221 1.00 0.36 H new ATOM 0 HD21 ASN A 633 8.931 3.208 -7.325 1.00 0.42 H new ATOM 0 HD22 ASN A 633 8.309 4.233 -6.027 1.00 0.42 H new ATOM 201 N LYS A 634 9.469 -1.915 -6.525 1.00 0.30 N ATOM 202 CA LYS A 634 9.736 -3.176 -7.208 1.00 0.36 C ATOM 203 C LYS A 634 9.239 -4.357 -6.382 1.00 0.32 C ATOM 204 O LYS A 634 8.574 -5.256 -6.898 1.00 0.33 O ATOM 205 CB LYS A 634 11.239 -3.318 -7.456 1.00 0.46 C ATOM 206 CG LYS A 634 11.665 -4.718 -7.859 1.00 1.21 C ATOM 207 CD LYS A 634 13.167 -4.901 -7.726 1.00 1.61 C ATOM 208 CE LYS A 634 13.554 -6.367 -7.830 1.00 2.37 C ATOM 209 NZ LYS A 634 15.002 -6.580 -7.588 1.00 3.15 N ATOM 0 H LYS A 634 10.302 -1.353 -6.350 1.00 0.30 H new ATOM 0 HA LYS A 634 9.205 -3.173 -8.160 1.00 0.36 H new ATOM 0 HB2 LYS A 634 11.536 -2.619 -8.238 1.00 0.46 H new ATOM 0 HB3 LYS A 634 11.775 -3.032 -6.551 1.00 0.46 H new ATOM 0 HG2 LYS A 634 11.151 -5.450 -7.235 1.00 1.21 H new ATOM 0 HG3 LYS A 634 11.364 -4.909 -8.889 1.00 1.21 H new ATOM 0 HD2 LYS A 634 13.676 -4.332 -8.504 1.00 1.61 H new ATOM 0 HD3 LYS A 634 13.501 -4.501 -6.769 1.00 1.61 H new ATOM 0 HE2 LYS A 634 12.977 -6.946 -7.109 1.00 2.37 H new ATOM 0 HE3 LYS A 634 13.293 -6.741 -8.820 1.00 2.37 H new ATOM 0 HZ1 LYS A 634 15.222 -7.593 -7.669 1.00 3.15 H new ATOM 0 HZ2 LYS A 634 15.553 -6.049 -8.292 1.00 3.15 H new ATOM 0 HZ3 LYS A 634 15.247 -6.247 -6.634 1.00 3.15 H new ATOM 223 N PHE A 635 9.572 -4.343 -5.097 1.00 0.30 N ATOM 224 CA PHE A 635 9.167 -5.406 -4.186 1.00 0.30 C ATOM 225 C PHE A 635 7.647 -5.461 -4.029 1.00 0.27 C ATOM 226 O PHE A 635 7.042 -6.529 -4.134 1.00 0.27 O ATOM 227 CB PHE A 635 9.837 -5.212 -2.826 1.00 0.32 C ATOM 228 CG PHE A 635 9.362 -6.173 -1.774 1.00 0.32 C ATOM 229 CD1 PHE A 635 9.469 -7.539 -1.970 1.00 0.39 C ATOM 230 CD2 PHE A 635 8.811 -5.712 -0.592 1.00 0.33 C ATOM 231 CE1 PHE A 635 9.036 -8.429 -1.006 1.00 0.42 C ATOM 232 CE2 PHE A 635 8.379 -6.595 0.376 1.00 0.35 C ATOM 233 CZ PHE A 635 8.479 -7.944 0.174 1.00 0.37 C ATOM 0 H PHE A 635 10.124 -3.604 -4.661 1.00 0.30 H new ATOM 0 HA PHE A 635 9.489 -6.356 -4.612 1.00 0.30 H new ATOM 0 HB2 PHE A 635 10.915 -5.320 -2.944 1.00 0.32 H new ATOM 0 HB3 PHE A 635 9.655 -4.193 -2.483 1.00 0.32 H new ATOM 0 HD1 PHE A 635 9.896 -7.914 -2.888 1.00 0.39 H new ATOM 0 HD2 PHE A 635 8.718 -4.649 -0.425 1.00 0.33 H new ATOM 0 HE1 PHE A 635 9.129 -9.493 -1.167 1.00 0.42 H new ATOM 0 HE2 PHE A 635 7.960 -6.219 1.298 1.00 0.35 H new ATOM 0 HZ PHE A 635 8.127 -8.632 0.929 1.00 0.37 H new ATOM 243 N PHE A 636 7.032 -4.312 -3.790 1.00 0.26 N ATOM 244 CA PHE A 636 5.595 -4.252 -3.560 1.00 0.26 C ATOM 245 C PHE A 636 4.814 -4.610 -4.817 1.00 0.24 C ATOM 246 O PHE A 636 3.723 -5.176 -4.738 1.00 0.25 O ATOM 247 CB PHE A 636 5.192 -2.868 -3.058 1.00 0.28 C ATOM 248 CG PHE A 636 5.568 -2.623 -1.625 1.00 0.28 C ATOM 249 CD1 PHE A 636 5.727 -3.686 -0.755 1.00 0.37 C ATOM 250 CD2 PHE A 636 5.736 -1.340 -1.139 1.00 0.31 C ATOM 251 CE1 PHE A 636 6.047 -3.482 0.563 1.00 0.39 C ATOM 252 CE2 PHE A 636 6.062 -1.130 0.184 1.00 0.35 C ATOM 253 CZ PHE A 636 6.212 -2.206 1.034 1.00 0.36 C ATOM 0 H PHE A 636 7.505 -3.409 -3.750 1.00 0.26 H new ATOM 0 HA PHE A 636 5.350 -4.989 -2.795 1.00 0.26 H new ATOM 0 HB2 PHE A 636 5.663 -2.111 -3.685 1.00 0.28 H new ATOM 0 HB3 PHE A 636 4.114 -2.748 -3.169 1.00 0.28 H new ATOM 0 HD1 PHE A 636 5.597 -4.694 -1.120 1.00 0.37 H new ATOM 0 HD2 PHE A 636 5.611 -0.496 -1.801 1.00 0.31 H new ATOM 0 HE1 PHE A 636 6.169 -4.325 1.228 1.00 0.39 H new ATOM 0 HE2 PHE A 636 6.200 -0.125 0.554 1.00 0.35 H new ATOM 0 HZ PHE A 636 6.460 -2.042 2.072 1.00 0.36 H new ATOM 263 N ALA A 637 5.390 -4.304 -5.971 1.00 0.26 N ATOM 264 CA ALA A 637 4.767 -4.606 -7.254 1.00 0.26 C ATOM 265 C ALA A 637 4.528 -6.107 -7.419 1.00 0.24 C ATOM 266 O ALA A 637 3.682 -6.526 -8.208 1.00 0.26 O ATOM 267 CB ALA A 637 5.622 -4.078 -8.395 1.00 0.31 C ATOM 0 H ALA A 637 6.296 -3.842 -6.046 1.00 0.26 H new ATOM 0 HA ALA A 637 3.797 -4.109 -7.279 1.00 0.26 H new ATOM 0 HB1 ALA A 637 5.144 -4.311 -9.346 1.00 0.31 H new ATOM 0 HB2 ALA A 637 5.730 -2.998 -8.299 1.00 0.31 H new ATOM 0 HB3 ALA A 637 6.606 -4.546 -8.359 1.00 0.31 H new ATOM 273 N SER A 638 5.280 -6.910 -6.679 1.00 0.23 N ATOM 274 CA SER A 638 5.168 -8.356 -6.770 1.00 0.25 C ATOM 275 C SER A 638 3.858 -8.868 -6.159 1.00 0.23 C ATOM 276 O SER A 638 3.184 -9.711 -6.754 1.00 0.28 O ATOM 277 CB SER A 638 6.369 -9.018 -6.088 1.00 0.28 C ATOM 278 OG SER A 638 7.590 -8.553 -6.645 1.00 0.96 O ATOM 0 H SER A 638 5.975 -6.582 -6.008 1.00 0.23 H new ATOM 0 HA SER A 638 5.160 -8.623 -7.827 1.00 0.25 H new ATOM 0 HB2 SER A 638 6.348 -8.805 -5.019 1.00 0.28 H new ATOM 0 HB3 SER A 638 6.304 -10.100 -6.198 1.00 0.28 H new ATOM 0 HG SER A 638 8.343 -8.988 -6.193 1.00 0.96 H new ATOM 284 N PHE A 639 3.473 -8.360 -4.988 1.00 0.21 N ATOM 285 CA PHE A 639 2.304 -8.907 -4.298 1.00 0.23 C ATOM 286 C PHE A 639 1.113 -7.959 -4.273 1.00 0.22 C ATOM 287 O PHE A 639 -0.026 -8.406 -4.384 1.00 0.25 O ATOM 288 CB PHE A 639 2.645 -9.360 -2.873 1.00 0.26 C ATOM 289 CG PHE A 639 3.278 -8.314 -1.993 1.00 0.25 C ATOM 290 CD1 PHE A 639 2.482 -7.464 -1.245 1.00 0.24 C ATOM 291 CD2 PHE A 639 4.660 -8.152 -1.941 1.00 0.28 C ATOM 292 CE1 PHE A 639 3.043 -6.473 -0.468 1.00 0.27 C ATOM 293 CE2 PHE A 639 5.222 -7.167 -1.158 1.00 0.32 C ATOM 294 CZ PHE A 639 4.473 -6.452 -0.318 1.00 0.27 C ATOM 0 H PHE A 639 3.939 -7.591 -4.507 1.00 0.21 H new ATOM 0 HA PHE A 639 2.008 -9.776 -4.886 1.00 0.23 H new ATOM 0 HB2 PHE A 639 1.731 -9.709 -2.393 1.00 0.26 H new ATOM 0 HB3 PHE A 639 3.319 -10.215 -2.934 1.00 0.26 H new ATOM 0 HD1 PHE A 639 1.408 -7.578 -1.270 1.00 0.24 H new ATOM 0 HD2 PHE A 639 5.297 -8.804 -2.520 1.00 0.28 H new ATOM 0 HE1 PHE A 639 2.424 -5.731 0.016 1.00 0.27 H new ATOM 0 HE2 PHE A 639 6.282 -6.972 -1.226 1.00 0.32 H new ATOM 0 HZ PHE A 639 4.933 -5.866 0.463 1.00 0.27 H new ATOM 304 N VAL A 640 1.372 -6.663 -4.149 1.00 0.22 N ATOM 305 CA VAL A 640 0.306 -5.680 -3.963 1.00 0.24 C ATOM 306 C VAL A 640 -0.812 -5.800 -5.016 1.00 0.21 C ATOM 307 O VAL A 640 -1.980 -5.951 -4.651 1.00 0.24 O ATOM 308 CB VAL A 640 0.871 -4.239 -3.936 1.00 0.29 C ATOM 309 CG1 VAL A 640 -0.231 -3.220 -4.169 1.00 0.34 C ATOM 310 CG2 VAL A 640 1.565 -3.973 -2.608 1.00 0.34 C ATOM 0 H VAL A 640 2.311 -6.266 -4.174 1.00 0.22 H new ATOM 0 HA VAL A 640 -0.144 -5.900 -2.995 1.00 0.24 H new ATOM 0 HB VAL A 640 1.599 -4.141 -4.741 1.00 0.29 H new ATOM 0 HG11 VAL A 640 0.191 -2.215 -4.145 1.00 0.34 H new ATOM 0 HG12 VAL A 640 -0.691 -3.397 -5.141 1.00 0.34 H new ATOM 0 HG13 VAL A 640 -0.985 -3.315 -3.388 1.00 0.34 H new ATOM 0 HG21 VAL A 640 1.959 -2.957 -2.600 1.00 0.34 H new ATOM 0 HG22 VAL A 640 0.850 -4.092 -1.794 1.00 0.34 H new ATOM 0 HG23 VAL A 640 2.384 -4.680 -2.477 1.00 0.34 H new ATOM 320 N PRO A 641 -0.491 -5.761 -6.327 1.00 0.22 N ATOM 321 CA PRO A 641 -1.510 -5.889 -7.373 1.00 0.27 C ATOM 322 C PRO A 641 -2.242 -7.227 -7.314 1.00 0.30 C ATOM 323 O PRO A 641 -3.454 -7.279 -7.472 1.00 0.42 O ATOM 324 CB PRO A 641 -0.719 -5.768 -8.678 1.00 0.36 C ATOM 325 CG PRO A 641 0.693 -6.052 -8.305 1.00 0.56 C ATOM 326 CD PRO A 641 0.851 -5.561 -6.898 1.00 0.24 C ATOM 0 HA PRO A 641 -2.289 -5.134 -7.266 1.00 0.27 H new ATOM 0 HB2 PRO A 641 -1.079 -6.476 -9.424 1.00 0.36 H new ATOM 0 HB3 PRO A 641 -0.820 -4.772 -9.109 1.00 0.36 H new ATOM 0 HG2 PRO A 641 0.908 -7.118 -8.373 1.00 0.56 H new ATOM 0 HG3 PRO A 641 1.385 -5.543 -8.977 1.00 0.56 H new ATOM 0 HD2 PRO A 641 1.609 -6.126 -6.356 1.00 0.24 H new ATOM 0 HD3 PRO A 641 1.151 -4.514 -6.867 1.00 0.24 H new ATOM 334 N ASN A 642 -1.502 -8.300 -7.053 1.00 0.30 N ATOM 335 CA ASN A 642 -2.068 -9.649 -7.059 1.00 0.37 C ATOM 336 C ASN A 642 -3.097 -9.841 -5.952 1.00 0.33 C ATOM 337 O ASN A 642 -4.093 -10.540 -6.139 1.00 0.38 O ATOM 338 CB ASN A 642 -0.964 -10.696 -6.919 1.00 0.49 C ATOM 339 CG ASN A 642 -0.199 -10.905 -8.209 1.00 0.98 C ATOM 340 OD1 ASN A 642 -0.545 -11.769 -9.016 1.00 1.70 O ATOM 341 ND2 ASN A 642 0.850 -10.124 -8.413 1.00 0.95 N ATOM 0 H ASN A 642 -0.506 -8.264 -6.834 1.00 0.30 H new ATOM 0 HA ASN A 642 -2.573 -9.778 -8.016 1.00 0.37 H new ATOM 0 HB2 ASN A 642 -0.272 -10.388 -6.135 1.00 0.49 H new ATOM 0 HB3 ASN A 642 -1.403 -11.642 -6.603 1.00 0.49 H new ATOM 0 HD21 ASN A 642 1.404 -10.226 -9.263 1.00 0.95 H new ATOM 0 HD22 ASN A 642 1.104 -9.420 -7.720 1.00 0.95 H new ATOM 348 N LEU A 643 -2.856 -9.227 -4.802 1.00 0.29 N ATOM 349 CA LEU A 643 -3.773 -9.347 -3.673 1.00 0.31 C ATOM 350 C LEU A 643 -5.107 -8.667 -3.975 1.00 0.28 C ATOM 351 O LEU A 643 -6.160 -9.297 -3.941 1.00 0.33 O ATOM 352 CB LEU A 643 -3.149 -8.740 -2.401 1.00 0.33 C ATOM 353 CG LEU A 643 -2.406 -9.718 -1.477 1.00 0.57 C ATOM 354 CD1 LEU A 643 -3.347 -10.794 -0.956 1.00 1.37 C ATOM 355 CD2 LEU A 643 -1.221 -10.354 -2.185 1.00 1.24 C ATOM 0 H LEU A 643 -2.038 -8.643 -4.625 1.00 0.29 H new ATOM 0 HA LEU A 643 -3.957 -10.408 -3.505 1.00 0.31 H new ATOM 0 HB2 LEU A 643 -2.453 -7.956 -2.701 1.00 0.33 H new ATOM 0 HB3 LEU A 643 -3.941 -8.260 -1.826 1.00 0.33 H new ATOM 0 HG LEU A 643 -2.029 -9.146 -0.629 1.00 0.57 H new ATOM 0 HD11 LEU A 643 -2.798 -11.474 -0.305 1.00 1.37 H new ATOM 0 HD12 LEU A 643 -4.157 -10.328 -0.394 1.00 1.37 H new ATOM 0 HD13 LEU A 643 -3.762 -11.352 -1.795 1.00 1.37 H new ATOM 0 HD21 LEU A 643 -0.716 -11.040 -1.505 1.00 1.24 H new ATOM 0 HD22 LEU A 643 -1.571 -10.902 -3.060 1.00 1.24 H new ATOM 0 HD23 LEU A 643 -0.524 -9.576 -2.499 1.00 1.24 H new ATOM 367 N ILE A 644 -5.047 -7.391 -4.293 1.00 0.26 N ATOM 368 CA ILE A 644 -6.246 -6.573 -4.444 1.00 0.29 C ATOM 369 C ILE A 644 -6.932 -6.762 -5.792 1.00 0.36 C ATOM 370 O ILE A 644 -8.120 -6.498 -5.907 1.00 0.47 O ATOM 371 CB ILE A 644 -5.928 -5.093 -4.222 1.00 0.33 C ATOM 372 CG1 ILE A 644 -5.149 -4.953 -2.923 1.00 0.51 C ATOM 373 CG2 ILE A 644 -7.196 -4.254 -4.177 1.00 0.41 C ATOM 374 CD1 ILE A 644 -4.768 -3.528 -2.581 1.00 0.67 C ATOM 0 H ILE A 644 -4.174 -6.888 -4.455 1.00 0.26 H new ATOM 0 HA ILE A 644 -6.943 -6.913 -3.679 1.00 0.29 H new ATOM 0 HB ILE A 644 -5.330 -4.727 -5.057 1.00 0.33 H new ATOM 0 HG12 ILE A 644 -5.745 -5.364 -2.108 1.00 0.51 H new ATOM 0 HG13 ILE A 644 -4.242 -5.554 -2.989 1.00 0.51 H new ATOM 0 HG21 ILE A 644 -6.935 -3.208 -4.018 1.00 0.41 H new ATOM 0 HG22 ILE A 644 -7.733 -4.355 -5.120 1.00 0.41 H new ATOM 0 HG23 ILE A 644 -7.831 -4.598 -3.360 1.00 0.41 H new ATOM 0 HD11 ILE A 644 -4.216 -3.515 -1.641 1.00 0.67 H new ATOM 0 HD12 ILE A 644 -4.144 -3.118 -3.375 1.00 0.67 H new ATOM 0 HD13 ILE A 644 -5.670 -2.924 -2.480 1.00 0.67 H new ATOM 386 N LYS A 645 -6.184 -7.189 -6.808 1.00 0.42 N ATOM 387 CA LYS A 645 -6.724 -7.330 -8.168 1.00 0.60 C ATOM 388 C LYS A 645 -8.089 -8.017 -8.166 1.00 0.68 C ATOM 389 O LYS A 645 -8.987 -7.638 -8.923 1.00 0.81 O ATOM 390 CB LYS A 645 -5.756 -8.128 -9.053 1.00 0.73 C ATOM 391 CG LYS A 645 -6.235 -8.315 -10.487 1.00 1.14 C ATOM 392 CD LYS A 645 -6.342 -6.988 -11.225 1.00 1.61 C ATOM 393 CE LYS A 645 -4.977 -6.345 -11.414 1.00 2.44 C ATOM 394 NZ LYS A 645 -5.065 -5.053 -12.138 1.00 3.24 N ATOM 0 H LYS A 645 -5.201 -7.445 -6.719 1.00 0.42 H new ATOM 0 HA LYS A 645 -6.844 -6.324 -8.571 1.00 0.60 H new ATOM 0 HB2 LYS A 645 -4.791 -7.621 -9.067 1.00 0.73 H new ATOM 0 HB3 LYS A 645 -5.595 -9.108 -8.604 1.00 0.73 H new ATOM 0 HG2 LYS A 645 -5.546 -8.971 -11.018 1.00 1.14 H new ATOM 0 HG3 LYS A 645 -7.207 -8.809 -10.484 1.00 1.14 H new ATOM 0 HD2 LYS A 645 -6.808 -7.148 -12.197 1.00 1.61 H new ATOM 0 HD3 LYS A 645 -6.990 -6.312 -10.668 1.00 1.61 H new ATOM 0 HE2 LYS A 645 -4.515 -6.184 -10.440 1.00 2.44 H new ATOM 0 HE3 LYS A 645 -4.329 -7.026 -11.966 1.00 2.44 H new ATOM 0 HZ1 LYS A 645 -4.112 -4.649 -12.245 1.00 3.24 H new ATOM 0 HZ2 LYS A 645 -5.482 -5.209 -13.078 1.00 3.24 H new ATOM 0 HZ3 LYS A 645 -5.662 -4.393 -11.600 1.00 3.24 H new ATOM 408 N LYS A 646 -8.254 -9.003 -7.293 1.00 0.65 N ATOM 409 CA LYS A 646 -9.493 -9.765 -7.245 1.00 0.80 C ATOM 410 C LYS A 646 -9.519 -10.665 -6.015 1.00 0.82 C ATOM 411 O LYS A 646 -9.374 -11.882 -6.130 1.00 0.97 O ATOM 412 CB LYS A 646 -9.633 -10.612 -8.518 1.00 0.99 C ATOM 413 CG LYS A 646 -11.031 -10.606 -9.118 1.00 1.22 C ATOM 414 CD LYS A 646 -12.065 -11.194 -8.173 1.00 1.85 C ATOM 415 CE LYS A 646 -13.462 -11.103 -8.760 1.00 2.19 C ATOM 416 NZ LYS A 646 -13.887 -9.694 -8.959 1.00 2.88 N ATOM 0 H LYS A 646 -7.550 -9.292 -6.613 1.00 0.65 H new ATOM 0 HA LYS A 646 -10.329 -9.069 -7.183 1.00 0.80 H new ATOM 0 HB2 LYS A 646 -8.928 -10.246 -9.264 1.00 0.99 H new ATOM 0 HB3 LYS A 646 -9.352 -11.640 -8.290 1.00 0.99 H new ATOM 0 HG2 LYS A 646 -11.312 -9.583 -9.370 1.00 1.22 H new ATOM 0 HG3 LYS A 646 -11.027 -11.174 -10.048 1.00 1.22 H new ATOM 0 HD2 LYS A 646 -11.822 -12.236 -7.967 1.00 1.85 H new ATOM 0 HD3 LYS A 646 -12.033 -10.665 -7.220 1.00 1.85 H new ATOM 0 HE2 LYS A 646 -13.490 -11.629 -9.714 1.00 2.19 H new ATOM 0 HE3 LYS A 646 -14.168 -11.605 -8.098 1.00 2.19 H new ATOM 0 HZ1 LYS A 646 -14.917 -9.658 -9.098 1.00 2.88 H new ATOM 0 HZ2 LYS A 646 -13.631 -9.133 -8.122 1.00 2.88 H new ATOM 0 HZ3 LYS A 646 -13.411 -9.303 -9.797 1.00 2.88 H new ATOM 430 N ASN A 647 -9.690 -10.076 -4.834 1.00 0.74 N ATOM 431 CA ASN A 647 -9.747 -10.875 -3.609 1.00 0.85 C ATOM 432 C ASN A 647 -10.971 -10.510 -2.779 1.00 0.79 C ATOM 433 O ASN A 647 -11.705 -9.596 -3.147 1.00 0.68 O ATOM 434 CB ASN A 647 -8.472 -10.696 -2.776 1.00 0.92 C ATOM 435 CG ASN A 647 -7.522 -11.877 -2.891 1.00 1.47 C ATOM 436 OD1 ASN A 647 -7.446 -12.532 -3.927 1.00 2.38 O ATOM 437 ND2 ASN A 647 -6.796 -12.161 -1.817 1.00 1.39 N ATOM 0 H ASN A 647 -9.790 -9.070 -4.698 1.00 0.74 H new ATOM 0 HA ASN A 647 -9.825 -11.922 -3.901 1.00 0.85 H new ATOM 0 HB2 ASN A 647 -7.958 -9.790 -3.097 1.00 0.92 H new ATOM 0 HB3 ASN A 647 -8.744 -10.555 -1.730 1.00 0.92 H new ATOM 0 HD21 ASN A 647 -6.147 -12.947 -1.834 1.00 1.39 H new ATOM 0 HD22 ASN A 647 -6.887 -11.593 -0.975 1.00 1.39 H new ATOM 444 N PRO A 648 -11.237 -11.232 -1.670 1.00 0.89 N ATOM 445 CA PRO A 648 -12.287 -10.859 -0.714 1.00 0.90 C ATOM 446 C PRO A 648 -12.216 -9.382 -0.332 1.00 0.81 C ATOM 447 O PRO A 648 -13.225 -8.756 -0.014 1.00 0.82 O ATOM 448 CB PRO A 648 -11.991 -11.733 0.516 1.00 1.08 C ATOM 449 CG PRO A 648 -10.712 -12.450 0.221 1.00 1.30 C ATOM 450 CD PRO A 648 -10.587 -12.486 -1.273 1.00 1.04 C ATOM 0 HA PRO A 648 -13.283 -11.010 -1.130 1.00 0.90 H new ATOM 0 HB2 PRO A 648 -11.897 -11.122 1.414 1.00 1.08 H new ATOM 0 HB3 PRO A 648 -12.801 -12.440 0.695 1.00 1.08 H new ATOM 0 HG2 PRO A 648 -9.864 -11.933 0.670 1.00 1.30 H new ATOM 0 HG3 PRO A 648 -10.727 -13.458 0.635 1.00 1.30 H new ATOM 0 HD2 PRO A 648 -9.546 -12.524 -1.593 1.00 1.04 H new ATOM 0 HD3 PRO A 648 -11.084 -13.356 -1.702 1.00 1.04 H new ATOM 458 N GLN A 649 -11.014 -8.831 -0.382 1.00 0.80 N ATOM 459 CA GLN A 649 -10.802 -7.428 -0.114 1.00 0.82 C ATOM 460 C GLN A 649 -11.312 -6.578 -1.273 1.00 0.68 C ATOM 461 O GLN A 649 -11.975 -5.567 -1.075 1.00 0.71 O ATOM 462 CB GLN A 649 -9.317 -7.202 0.115 1.00 1.02 C ATOM 463 CG GLN A 649 -8.431 -7.894 -0.909 1.00 0.92 C ATOM 464 CD GLN A 649 -6.969 -7.928 -0.506 1.00 1.44 C ATOM 465 OE1 GLN A 649 -6.200 -7.046 -0.864 1.00 2.04 O ATOM 466 NE2 GLN A 649 -6.577 -8.940 0.258 1.00 1.83 N ATOM 0 H GLN A 649 -10.164 -9.347 -0.609 1.00 0.80 H new ATOM 0 HA GLN A 649 -11.357 -7.131 0.776 1.00 0.82 H new ATOM 0 HB2 GLN A 649 -9.114 -6.131 0.095 1.00 1.02 H new ATOM 0 HB3 GLN A 649 -9.053 -7.558 1.111 1.00 1.02 H new ATOM 0 HG2 GLN A 649 -8.785 -8.914 -1.056 1.00 0.92 H new ATOM 0 HG3 GLN A 649 -8.526 -7.383 -1.867 1.00 0.92 H new ATOM 0 HE21 GLN A 649 -7.246 -9.657 0.537 1.00 1.83 H new ATOM 0 HE22 GLN A 649 -5.607 -9.000 0.566 1.00 1.83 H new ATOM 475 N SER A 650 -11.025 -7.035 -2.478 1.00 0.63 N ATOM 476 CA SER A 650 -11.379 -6.339 -3.703 1.00 0.61 C ATOM 477 C SER A 650 -12.891 -6.261 -3.908 1.00 0.63 C ATOM 478 O SER A 650 -13.388 -5.306 -4.503 1.00 0.67 O ATOM 479 CB SER A 650 -10.712 -7.055 -4.870 1.00 0.70 C ATOM 480 OG SER A 650 -11.461 -6.952 -6.066 1.00 1.56 O ATOM 0 H SER A 650 -10.532 -7.914 -2.636 1.00 0.63 H new ATOM 0 HA SER A 650 -11.026 -5.310 -3.637 1.00 0.61 H new ATOM 0 HB2 SER A 650 -9.718 -6.636 -5.030 1.00 0.70 H new ATOM 0 HB3 SER A 650 -10.578 -8.107 -4.618 1.00 0.70 H new ATOM 0 HG SER A 650 -10.854 -6.970 -6.835 1.00 1.56 H new ATOM 486 N LYS A 651 -13.623 -7.260 -3.426 1.00 0.66 N ATOM 487 CA LYS A 651 -15.078 -7.240 -3.537 1.00 0.74 C ATOM 488 C LYS A 651 -15.658 -6.204 -2.575 1.00 0.72 C ATOM 489 O LYS A 651 -16.835 -5.838 -2.660 1.00 0.78 O ATOM 490 CB LYS A 651 -15.673 -8.626 -3.257 1.00 0.87 C ATOM 491 CG LYS A 651 -15.709 -8.998 -1.784 1.00 1.53 C ATOM 492 CD LYS A 651 -16.325 -10.369 -1.566 1.00 1.63 C ATOM 493 CE LYS A 651 -16.611 -10.618 -0.095 1.00 2.38 C ATOM 494 NZ LYS A 651 -17.619 -9.662 0.434 1.00 3.08 N ATOM 0 H LYS A 651 -13.240 -8.083 -2.961 1.00 0.66 H new ATOM 0 HA LYS A 651 -15.342 -6.965 -4.558 1.00 0.74 H new ATOM 0 HB2 LYS A 651 -16.687 -8.662 -3.655 1.00 0.87 H new ATOM 0 HB3 LYS A 651 -15.093 -9.375 -3.796 1.00 0.87 H new ATOM 0 HG2 LYS A 651 -14.696 -8.986 -1.381 1.00 1.53 H new ATOM 0 HG3 LYS A 651 -16.280 -8.251 -1.234 1.00 1.53 H new ATOM 0 HD2 LYS A 651 -17.250 -10.449 -2.137 1.00 1.63 H new ATOM 0 HD3 LYS A 651 -15.650 -11.137 -1.943 1.00 1.63 H new ATOM 0 HE2 LYS A 651 -16.970 -11.638 0.039 1.00 2.38 H new ATOM 0 HE3 LYS A 651 -15.687 -10.528 0.477 1.00 2.38 H new ATOM 0 HZ1 LYS A 651 -18.076 -10.069 1.275 1.00 3.08 H new ATOM 0 HZ2 LYS A 651 -17.150 -8.771 0.693 1.00 3.08 H new ATOM 0 HZ3 LYS A 651 -18.337 -9.476 -0.295 1.00 3.08 H new ATOM 508 N GLN A 652 -14.810 -5.732 -1.668 1.00 0.69 N ATOM 509 CA GLN A 652 -15.180 -4.684 -0.734 1.00 0.76 C ATOM 510 C GLN A 652 -14.624 -3.367 -1.239 1.00 0.71 C ATOM 511 O GLN A 652 -15.082 -2.292 -0.854 1.00 0.87 O ATOM 512 CB GLN A 652 -14.636 -4.974 0.668 1.00 0.84 C ATOM 513 CG GLN A 652 -15.085 -6.311 1.237 1.00 1.34 C ATOM 514 CD GLN A 652 -14.684 -6.502 2.688 1.00 1.94 C ATOM 515 OE1 GLN A 652 -13.564 -5.915 3.083 1.00 2.22 O flip ATOM 516 NE2 GLN A 652 -15.375 -7.182 3.448 1.00 2.75 N flip ATOM 0 H GLN A 652 -13.852 -6.066 -1.562 1.00 0.69 H new ATOM 0 HA GLN A 652 -16.267 -4.637 -0.666 1.00 0.76 H new ATOM 0 HB2 GLN A 652 -13.547 -4.951 0.637 1.00 0.84 H new ATOM 0 HB3 GLN A 652 -14.953 -4.178 1.342 1.00 0.84 H new ATOM 0 HG2 GLN A 652 -16.169 -6.390 1.152 1.00 1.34 H new ATOM 0 HG3 GLN A 652 -14.658 -7.116 0.639 1.00 1.34 H new ATOM 0 HE21 GLN A 652 -16.231 -7.618 3.106 1.00 2.75 H new ATOM 0 HE22 GLN A 652 -15.091 -7.309 4.419 1.00 2.75 H new ATOM 525 N PHE A 653 -13.623 -3.464 -2.106 1.00 0.56 N ATOM 526 CA PHE A 653 -13.044 -2.297 -2.733 1.00 0.51 C ATOM 527 C PHE A 653 -13.990 -1.682 -3.756 1.00 0.61 C ATOM 528 O PHE A 653 -14.752 -2.380 -4.426 1.00 0.87 O ATOM 529 CB PHE A 653 -11.748 -2.674 -3.429 1.00 0.44 C ATOM 530 CG PHE A 653 -10.524 -2.512 -2.586 1.00 0.43 C ATOM 531 CD1 PHE A 653 -9.967 -1.265 -2.416 1.00 0.58 C ATOM 532 CD2 PHE A 653 -9.920 -3.597 -1.982 1.00 0.52 C ATOM 533 CE1 PHE A 653 -8.836 -1.093 -1.658 1.00 0.66 C ATOM 534 CE2 PHE A 653 -8.785 -3.433 -1.217 1.00 0.58 C ATOM 535 CZ PHE A 653 -8.244 -2.173 -1.060 1.00 0.58 C ATOM 0 H PHE A 653 -13.198 -4.347 -2.388 1.00 0.56 H new ATOM 0 HA PHE A 653 -12.855 -1.564 -1.949 1.00 0.51 H new ATOM 0 HB2 PHE A 653 -11.814 -3.712 -3.756 1.00 0.44 H new ATOM 0 HB3 PHE A 653 -11.640 -2.063 -4.325 1.00 0.44 H new ATOM 0 HD1 PHE A 653 -10.427 -0.409 -2.886 1.00 0.58 H new ATOM 0 HD2 PHE A 653 -10.341 -4.583 -2.110 1.00 0.52 H new ATOM 0 HE1 PHE A 653 -8.413 -0.107 -1.533 1.00 0.66 H new ATOM 0 HE2 PHE A 653 -8.322 -4.286 -0.743 1.00 0.58 H new ATOM 0 HZ PHE A 653 -7.353 -2.039 -0.465 1.00 0.58 H new ATOM 545 N ASP A 654 -13.932 -0.365 -3.854 1.00 0.53 N ATOM 546 CA ASP A 654 -14.624 0.363 -4.903 1.00 0.58 C ATOM 547 C ASP A 654 -13.741 0.333 -6.150 1.00 0.58 C ATOM 548 O ASP A 654 -12.545 0.047 -6.051 1.00 0.63 O ATOM 549 CB ASP A 654 -14.889 1.812 -4.457 1.00 0.65 C ATOM 550 CG ASP A 654 -15.929 2.537 -5.295 1.00 1.07 C ATOM 551 OD1 ASP A 654 -15.711 2.735 -6.509 1.00 1.47 O ATOM 552 OD2 ASP A 654 -16.971 2.930 -4.735 1.00 1.77 O ATOM 0 H ASP A 654 -13.406 0.228 -3.211 1.00 0.53 H new ATOM 0 HA ASP A 654 -15.589 -0.097 -5.117 1.00 0.58 H new ATOM 0 HB2 ASP A 654 -15.215 1.807 -3.417 1.00 0.65 H new ATOM 0 HB3 ASP A 654 -13.953 2.370 -4.495 1.00 0.65 H new ATOM 557 N HIS A 655 -14.297 0.629 -7.301 1.00 0.63 N ATOM 558 CA HIS A 655 -13.532 0.570 -8.543 1.00 0.67 C ATOM 559 C HIS A 655 -12.508 1.698 -8.592 1.00 0.63 C ATOM 560 O HIS A 655 -11.397 1.524 -9.098 1.00 0.65 O ATOM 561 CB HIS A 655 -14.459 0.608 -9.756 1.00 0.83 C ATOM 562 CG HIS A 655 -15.327 -0.603 -9.858 1.00 1.61 C ATOM 563 ND1 HIS A 655 -16.664 -0.597 -9.544 1.00 2.50 N ATOM 564 CD2 HIS A 655 -15.035 -1.871 -10.225 1.00 2.36 C ATOM 565 CE1 HIS A 655 -17.160 -1.806 -9.708 1.00 3.36 C ATOM 566 NE2 HIS A 655 -16.193 -2.598 -10.123 1.00 3.28 N ATOM 0 H HIS A 655 -15.270 0.913 -7.413 1.00 0.63 H new ATOM 0 HA HIS A 655 -12.992 -0.377 -8.572 1.00 0.67 H new ATOM 0 HB2 HIS A 655 -15.088 1.497 -9.700 1.00 0.83 H new ATOM 0 HB3 HIS A 655 -13.860 0.698 -10.663 1.00 0.83 H new ATOM 0 HD2 HIS A 655 -14.071 -2.242 -10.539 1.00 2.36 H new ATOM 0 HE1 HIS A 655 -18.185 -2.098 -9.532 1.00 3.36 H new ATOM 0 HE2 HIS A 655 -16.290 -3.591 -10.334 1.00 3.28 H new ATOM 575 N GLU A 656 -12.875 2.849 -8.042 1.00 0.64 N ATOM 576 CA GLU A 656 -11.933 3.950 -7.881 1.00 0.64 C ATOM 577 C GLU A 656 -10.884 3.571 -6.840 1.00 0.50 C ATOM 578 O GLU A 656 -9.707 3.912 -6.951 1.00 0.54 O ATOM 579 CB GLU A 656 -12.659 5.225 -7.434 1.00 0.75 C ATOM 580 CG GLU A 656 -13.364 5.086 -6.090 1.00 0.82 C ATOM 581 CD GLU A 656 -13.793 6.412 -5.506 1.00 1.30 C ATOM 582 OE1 GLU A 656 -12.917 7.167 -5.030 1.00 2.14 O ATOM 583 OE2 GLU A 656 -15.009 6.697 -5.499 1.00 1.32 O ATOM 0 H GLU A 656 -13.816 3.044 -7.701 1.00 0.64 H new ATOM 0 HA GLU A 656 -11.453 4.142 -8.841 1.00 0.64 H new ATOM 0 HB2 GLU A 656 -11.939 6.041 -7.375 1.00 0.75 H new ATOM 0 HB3 GLU A 656 -13.392 5.501 -8.192 1.00 0.75 H new ATOM 0 HG2 GLU A 656 -14.240 4.448 -6.210 1.00 0.82 H new ATOM 0 HG3 GLU A 656 -12.698 4.585 -5.387 1.00 0.82 H new ATOM 590 N ASN A 657 -11.344 2.819 -5.853 1.00 0.44 N ATOM 591 CA ASN A 657 -10.595 2.514 -4.658 1.00 0.41 C ATOM 592 C ASN A 657 -9.421 1.591 -4.958 1.00 0.32 C ATOM 593 O ASN A 657 -8.297 1.858 -4.551 1.00 0.33 O ATOM 594 CB ASN A 657 -11.575 1.838 -3.705 1.00 0.57 C ATOM 595 CG ASN A 657 -11.071 1.648 -2.307 1.00 0.89 C ATOM 596 OD1 ASN A 657 -9.877 1.643 -2.044 1.00 1.88 O ATOM 597 ND2 ASN A 657 -12.007 1.455 -1.397 1.00 0.72 N ATOM 0 H ASN A 657 -12.272 2.396 -5.867 1.00 0.44 H new ATOM 0 HA ASN A 657 -10.172 3.420 -4.225 1.00 0.41 H new ATOM 0 HB2 ASN A 657 -12.489 2.430 -3.668 1.00 0.57 H new ATOM 0 HB3 ASN A 657 -11.843 0.864 -4.114 1.00 0.57 H new ATOM 0 HD21 ASN A 657 -11.747 1.292 -0.424 1.00 0.72 H new ATOM 0 HD22 ASN A 657 -12.991 1.468 -1.666 1.00 0.72 H new ATOM 604 N ILE A 658 -9.688 0.532 -5.712 1.00 0.32 N ATOM 605 CA ILE A 658 -8.677 -0.489 -5.992 1.00 0.32 C ATOM 606 C ILE A 658 -7.456 0.091 -6.711 1.00 0.31 C ATOM 607 O ILE A 658 -6.318 -0.204 -6.343 1.00 0.34 O ATOM 608 CB ILE A 658 -9.269 -1.673 -6.806 1.00 0.39 C ATOM 609 CG1 ILE A 658 -9.725 -2.788 -5.860 1.00 0.37 C ATOM 610 CG2 ILE A 658 -8.270 -2.218 -7.823 1.00 0.46 C ATOM 611 CD1 ILE A 658 -10.203 -4.034 -6.574 1.00 0.43 C ATOM 0 H ILE A 658 -10.596 0.354 -6.142 1.00 0.32 H new ATOM 0 HA ILE A 658 -8.347 -0.868 -5.025 1.00 0.32 H new ATOM 0 HB ILE A 658 -10.129 -1.296 -7.360 1.00 0.39 H new ATOM 0 HG12 ILE A 658 -8.899 -3.053 -5.200 1.00 0.37 H new ATOM 0 HG13 ILE A 658 -10.529 -2.410 -5.229 1.00 0.37 H new ATOM 0 HG21 ILE A 658 -8.723 -3.044 -8.371 1.00 0.46 H new ATOM 0 HG22 ILE A 658 -7.994 -1.428 -8.521 1.00 0.46 H new ATOM 0 HG23 ILE A 658 -7.379 -2.572 -7.304 1.00 0.46 H new ATOM 0 HD11 ILE A 658 -10.510 -4.779 -5.840 1.00 0.43 H new ATOM 0 HD12 ILE A 658 -11.050 -3.785 -7.213 1.00 0.43 H new ATOM 0 HD13 ILE A 658 -9.394 -4.437 -7.184 1.00 0.43 H new ATOM 623 N LYS A 659 -7.693 0.930 -7.713 1.00 0.32 N ATOM 624 CA LYS A 659 -6.603 1.472 -8.517 1.00 0.37 C ATOM 625 C LYS A 659 -5.717 2.381 -7.674 1.00 0.34 C ATOM 626 O LYS A 659 -4.487 2.258 -7.681 1.00 0.37 O ATOM 627 CB LYS A 659 -7.151 2.248 -9.717 1.00 0.48 C ATOM 628 CG LYS A 659 -8.223 1.502 -10.498 1.00 1.37 C ATOM 629 CD LYS A 659 -8.545 2.191 -11.819 1.00 1.85 C ATOM 630 CE LYS A 659 -8.867 3.669 -11.637 1.00 2.61 C ATOM 631 NZ LYS A 659 -10.038 3.892 -10.747 1.00 3.38 N ATOM 0 H LYS A 659 -8.623 1.248 -7.987 1.00 0.32 H new ATOM 0 HA LYS A 659 -6.005 0.637 -8.882 1.00 0.37 H new ATOM 0 HB2 LYS A 659 -7.563 3.195 -9.367 1.00 0.48 H new ATOM 0 HB3 LYS A 659 -6.327 2.488 -10.389 1.00 0.48 H new ATOM 0 HG2 LYS A 659 -7.888 0.483 -10.692 1.00 1.37 H new ATOM 0 HG3 LYS A 659 -9.128 1.431 -9.895 1.00 1.37 H new ATOM 0 HD2 LYS A 659 -7.698 2.087 -12.497 1.00 1.85 H new ATOM 0 HD3 LYS A 659 -9.392 1.692 -12.289 1.00 1.85 H new ATOM 0 HE2 LYS A 659 -7.997 4.179 -11.222 1.00 2.61 H new ATOM 0 HE3 LYS A 659 -9.064 4.117 -12.611 1.00 2.61 H new ATOM 0 HZ1 LYS A 659 -10.723 4.513 -11.223 1.00 3.38 H new ATOM 0 HZ2 LYS A 659 -10.489 2.980 -10.532 1.00 3.38 H new ATOM 0 HZ3 LYS A 659 -9.722 4.339 -9.863 1.00 3.38 H new ATOM 645 N GLN A 660 -6.354 3.281 -6.935 1.00 0.34 N ATOM 646 CA GLN A 660 -5.637 4.213 -6.085 1.00 0.38 C ATOM 647 C GLN A 660 -4.948 3.480 -4.942 1.00 0.31 C ATOM 648 O GLN A 660 -3.794 3.759 -4.634 1.00 0.31 O ATOM 649 CB GLN A 660 -6.588 5.283 -5.546 1.00 0.50 C ATOM 650 CG GLN A 660 -5.938 6.242 -4.560 1.00 1.28 C ATOM 651 CD GLN A 660 -6.812 7.440 -4.243 1.00 1.78 C ATOM 652 OE1 GLN A 660 -8.041 7.363 -4.301 1.00 1.90 O ATOM 653 NE2 GLN A 660 -6.184 8.551 -3.885 1.00 2.71 N ATOM 0 H GLN A 660 -7.369 3.382 -6.910 1.00 0.34 H new ATOM 0 HA GLN A 660 -4.869 4.704 -6.683 1.00 0.38 H new ATOM 0 HB2 GLN A 660 -6.989 5.854 -6.383 1.00 0.50 H new ATOM 0 HB3 GLN A 660 -7.432 4.794 -5.060 1.00 0.50 H new ATOM 0 HG2 GLN A 660 -5.712 5.709 -3.637 1.00 1.28 H new ATOM 0 HG3 GLN A 660 -4.989 6.588 -4.969 1.00 1.28 H new ATOM 0 HE21 GLN A 660 -5.165 8.572 -3.850 1.00 2.71 H new ATOM 0 HE22 GLN A 660 -6.720 9.385 -3.644 1.00 2.71 H new ATOM 662 N CYS A 661 -5.649 2.528 -4.338 1.00 0.27 N ATOM 663 CA CYS A 661 -5.109 1.775 -3.217 1.00 0.26 C ATOM 664 C CYS A 661 -3.815 1.068 -3.590 1.00 0.23 C ATOM 665 O CYS A 661 -2.815 1.233 -2.907 1.00 0.25 O ATOM 666 CB CYS A 661 -6.120 0.755 -2.708 1.00 0.28 C ATOM 667 SG CYS A 661 -5.451 -0.383 -1.479 1.00 0.30 S ATOM 0 H CYS A 661 -6.595 2.260 -4.608 1.00 0.27 H new ATOM 0 HA CYS A 661 -4.895 2.492 -2.424 1.00 0.26 H new ATOM 0 HB2 CYS A 661 -6.969 1.284 -2.275 1.00 0.28 H new ATOM 0 HB3 CYS A 661 -6.499 0.180 -3.553 1.00 0.28 H new ATOM 0 HG CYS A 661 -5.425 0.199 -0.317 1.00 0.30 H new ATOM 673 N ALA A 662 -3.837 0.281 -4.665 1.00 0.23 N ATOM 674 CA ALA A 662 -2.647 -0.445 -5.111 1.00 0.25 C ATOM 675 C ALA A 662 -1.457 0.498 -5.299 1.00 0.24 C ATOM 676 O ALA A 662 -0.356 0.236 -4.807 1.00 0.24 O ATOM 677 CB ALA A 662 -2.943 -1.191 -6.405 1.00 0.32 C ATOM 0 H ALA A 662 -4.664 0.130 -5.243 1.00 0.23 H new ATOM 0 HA ALA A 662 -2.381 -1.166 -4.338 1.00 0.25 H new ATOM 0 HB1 ALA A 662 -2.051 -1.728 -6.728 1.00 0.32 H new ATOM 0 HB2 ALA A 662 -3.753 -1.901 -6.239 1.00 0.32 H new ATOM 0 HB3 ALA A 662 -3.237 -0.479 -7.176 1.00 0.32 H new ATOM 683 N LYS A 663 -1.686 1.601 -5.998 1.00 0.27 N ATOM 684 CA LYS A 663 -0.634 2.586 -6.228 1.00 0.30 C ATOM 685 C LYS A 663 -0.169 3.201 -4.907 1.00 0.26 C ATOM 686 O LYS A 663 1.034 3.286 -4.624 1.00 0.29 O ATOM 687 CB LYS A 663 -1.151 3.687 -7.162 1.00 0.40 C ATOM 688 CG LYS A 663 -0.117 4.749 -7.536 1.00 1.19 C ATOM 689 CD LYS A 663 0.883 4.248 -8.573 1.00 1.51 C ATOM 690 CE LYS A 663 1.970 3.375 -7.963 1.00 2.61 C ATOM 691 NZ LYS A 663 2.933 2.897 -8.993 1.00 3.57 N ATOM 0 H LYS A 663 -2.586 1.837 -6.415 1.00 0.27 H new ATOM 0 HA LYS A 663 0.215 2.085 -6.692 1.00 0.30 H new ATOM 0 HB2 LYS A 663 -1.522 3.224 -8.076 1.00 0.40 H new ATOM 0 HB3 LYS A 663 -2.000 4.178 -6.686 1.00 0.40 H new ATOM 0 HG2 LYS A 663 -0.629 5.629 -7.925 1.00 1.19 H new ATOM 0 HG3 LYS A 663 0.419 5.062 -6.640 1.00 1.19 H new ATOM 0 HD2 LYS A 663 0.354 3.681 -9.339 1.00 1.51 H new ATOM 0 HD3 LYS A 663 1.344 5.102 -9.070 1.00 1.51 H new ATOM 0 HE2 LYS A 663 2.504 3.939 -7.199 1.00 2.61 H new ATOM 0 HE3 LYS A 663 1.514 2.519 -7.466 1.00 2.61 H new ATOM 0 HZ1 LYS A 663 3.659 2.305 -8.541 1.00 3.57 H new ATOM 0 HZ2 LYS A 663 2.427 2.337 -9.709 1.00 3.57 H new ATOM 0 HZ3 LYS A 663 3.387 3.714 -9.450 1.00 3.57 H new ATOM 705 N ASP A 664 -1.134 3.597 -4.092 1.00 0.25 N ATOM 706 CA ASP A 664 -0.853 4.338 -2.871 1.00 0.29 C ATOM 707 C ASP A 664 -0.176 3.468 -1.819 1.00 0.25 C ATOM 708 O ASP A 664 0.692 3.948 -1.107 1.00 0.30 O ATOM 709 CB ASP A 664 -2.137 4.946 -2.304 1.00 0.38 C ATOM 710 CG ASP A 664 -1.863 5.988 -1.238 1.00 1.03 C ATOM 711 OD1 ASP A 664 -1.550 7.144 -1.587 1.00 1.72 O ATOM 712 OD2 ASP A 664 -1.961 5.650 -0.039 1.00 1.60 O ATOM 0 H ASP A 664 -2.125 3.417 -4.255 1.00 0.25 H new ATOM 0 HA ASP A 664 -0.162 5.140 -3.132 1.00 0.29 H new ATOM 0 HB2 ASP A 664 -2.709 5.400 -3.113 1.00 0.38 H new ATOM 0 HB3 ASP A 664 -2.755 4.153 -1.883 1.00 0.38 H new ATOM 717 N ILE A 665 -0.557 2.193 -1.730 1.00 0.23 N ATOM 718 CA ILE A 665 0.027 1.290 -0.738 1.00 0.24 C ATOM 719 C ILE A 665 1.488 1.005 -1.060 1.00 0.25 C ATOM 720 O ILE A 665 2.321 0.929 -0.155 1.00 0.29 O ATOM 721 CB ILE A 665 -0.763 -0.040 -0.589 1.00 0.24 C ATOM 722 CG1 ILE A 665 -0.125 -0.944 0.472 1.00 0.29 C ATOM 723 CG2 ILE A 665 -0.845 -0.777 -1.910 1.00 0.23 C ATOM 724 CD1 ILE A 665 -1.047 -2.041 0.944 1.00 0.38 C ATOM 0 H ILE A 665 -1.263 1.765 -2.329 1.00 0.23 H new ATOM 0 HA ILE A 665 -0.036 1.804 0.221 1.00 0.24 H new ATOM 0 HB ILE A 665 -1.773 0.216 -0.269 1.00 0.24 H new ATOM 0 HG12 ILE A 665 0.782 -1.390 0.064 1.00 0.29 H new ATOM 0 HG13 ILE A 665 0.175 -0.337 1.326 1.00 0.29 H new ATOM 0 HG21 ILE A 665 -1.403 -1.704 -1.776 1.00 0.23 H new ATOM 0 HG22 ILE A 665 -1.352 -0.151 -2.645 1.00 0.23 H new ATOM 0 HG23 ILE A 665 0.161 -1.007 -2.261 1.00 0.23 H new ATOM 0 HD11 ILE A 665 -0.538 -2.647 1.694 1.00 0.38 H new ATOM 0 HD12 ILE A 665 -1.943 -1.600 1.381 1.00 0.38 H new ATOM 0 HD13 ILE A 665 -1.327 -2.670 0.099 1.00 0.38 H new ATOM 736 N VAL A 666 1.810 0.877 -2.347 1.00 0.24 N ATOM 737 CA VAL A 666 3.191 0.703 -2.758 1.00 0.27 C ATOM 738 C VAL A 666 4.025 1.904 -2.302 1.00 0.31 C ATOM 739 O VAL A 666 5.178 1.758 -1.904 1.00 0.40 O ATOM 740 CB VAL A 666 3.296 0.505 -4.292 1.00 0.27 C ATOM 741 CG1 VAL A 666 4.742 0.482 -4.749 1.00 0.34 C ATOM 742 CG2 VAL A 666 2.595 -0.776 -4.709 1.00 0.26 C ATOM 0 H VAL A 666 1.136 0.891 -3.112 1.00 0.24 H new ATOM 0 HA VAL A 666 3.584 -0.197 -2.285 1.00 0.27 H new ATOM 0 HB VAL A 666 2.805 1.352 -4.771 1.00 0.27 H new ATOM 0 HG11 VAL A 666 4.780 0.342 -5.829 1.00 0.34 H new ATOM 0 HG12 VAL A 666 5.221 1.426 -4.489 1.00 0.34 H new ATOM 0 HG13 VAL A 666 5.266 -0.338 -4.258 1.00 0.34 H new ATOM 0 HG21 VAL A 666 2.677 -0.901 -5.789 1.00 0.26 H new ATOM 0 HG22 VAL A 666 3.061 -1.625 -4.209 1.00 0.26 H new ATOM 0 HG23 VAL A 666 1.543 -0.723 -4.429 1.00 0.26 H new ATOM 752 N LYS A 667 3.417 3.083 -2.343 1.00 0.31 N ATOM 753 CA LYS A 667 4.057 4.308 -1.859 1.00 0.38 C ATOM 754 C LYS A 667 4.083 4.408 -0.320 1.00 0.31 C ATOM 755 O LYS A 667 5.116 4.710 0.280 1.00 0.37 O ATOM 756 CB LYS A 667 3.333 5.519 -2.453 1.00 0.53 C ATOM 757 CG LYS A 667 3.733 6.851 -1.834 1.00 0.94 C ATOM 758 CD LYS A 667 3.027 8.018 -2.509 1.00 1.55 C ATOM 759 CE LYS A 667 1.513 7.850 -2.506 1.00 2.46 C ATOM 760 NZ LYS A 667 0.954 7.786 -1.129 1.00 3.48 N ATOM 0 H LYS A 667 2.475 3.221 -2.709 1.00 0.31 H new ATOM 0 HA LYS A 667 5.097 4.285 -2.184 1.00 0.38 H new ATOM 0 HB2 LYS A 667 3.529 5.556 -3.525 1.00 0.53 H new ATOM 0 HB3 LYS A 667 2.259 5.382 -2.330 1.00 0.53 H new ATOM 0 HG2 LYS A 667 3.492 6.845 -0.771 1.00 0.94 H new ATOM 0 HG3 LYS A 667 4.812 6.981 -1.916 1.00 0.94 H new ATOM 0 HD2 LYS A 667 3.290 8.945 -1.998 1.00 1.55 H new ATOM 0 HD3 LYS A 667 3.379 8.109 -3.536 1.00 1.55 H new ATOM 0 HE2 LYS A 667 1.056 8.682 -3.043 1.00 2.46 H new ATOM 0 HE3 LYS A 667 1.250 6.940 -3.045 1.00 2.46 H new ATOM 0 HZ1 LYS A 667 -0.085 7.791 -1.176 1.00 3.48 H new ATOM 0 HZ2 LYS A 667 1.276 6.913 -0.664 1.00 3.48 H new ATOM 0 HZ3 LYS A 667 1.280 8.609 -0.583 1.00 3.48 H new ATOM 774 N ILE A 668 2.948 4.164 0.317 1.00 0.25 N ATOM 775 CA ILE A 668 2.807 4.405 1.748 1.00 0.26 C ATOM 776 C ILE A 668 3.507 3.330 2.583 1.00 0.27 C ATOM 777 O ILE A 668 4.118 3.636 3.605 1.00 0.32 O ATOM 778 CB ILE A 668 1.317 4.537 2.173 1.00 0.30 C ATOM 779 CG1 ILE A 668 1.209 4.993 3.630 1.00 1.14 C ATOM 780 CG2 ILE A 668 0.562 3.231 1.978 1.00 0.87 C ATOM 781 CD1 ILE A 668 1.787 6.370 3.877 1.00 1.73 C ATOM 0 H ILE A 668 2.109 3.799 -0.134 1.00 0.25 H new ATOM 0 HA ILE A 668 3.299 5.357 1.946 1.00 0.26 H new ATOM 0 HB ILE A 668 0.861 5.290 1.531 1.00 0.30 H new ATOM 0 HG12 ILE A 668 0.160 4.990 3.927 1.00 1.14 H new ATOM 0 HG13 ILE A 668 1.723 4.273 4.267 1.00 1.14 H new ATOM 0 HG21 ILE A 668 -0.476 3.361 2.285 1.00 0.87 H new ATOM 0 HG22 ILE A 668 0.596 2.945 0.927 1.00 0.87 H new ATOM 0 HG23 ILE A 668 1.024 2.450 2.582 1.00 0.87 H new ATOM 0 HD11 ILE A 668 1.676 6.628 4.930 1.00 1.73 H new ATOM 0 HD12 ILE A 668 2.844 6.374 3.612 1.00 1.73 H new ATOM 0 HD13 ILE A 668 1.258 7.102 3.267 1.00 1.73 H new ATOM 793 N LEU A 669 3.434 2.077 2.150 1.00 0.25 N ATOM 794 CA LEU A 669 4.008 0.981 2.923 1.00 0.29 C ATOM 795 C LEU A 669 5.529 1.123 2.999 1.00 0.30 C ATOM 796 O LEU A 669 6.126 0.870 4.044 1.00 0.37 O ATOM 797 CB LEU A 669 3.609 -0.370 2.321 1.00 0.29 C ATOM 798 CG LEU A 669 3.293 -1.482 3.336 1.00 0.35 C ATOM 799 CD1 LEU A 669 2.677 -2.674 2.627 1.00 0.37 C ATOM 800 CD2 LEU A 669 4.540 -1.921 4.097 1.00 0.39 C ATOM 0 H LEU A 669 2.988 1.796 1.277 1.00 0.25 H new ATOM 0 HA LEU A 669 3.612 1.025 3.938 1.00 0.29 H new ATOM 0 HB2 LEU A 669 2.734 -0.221 1.688 1.00 0.29 H new ATOM 0 HB3 LEU A 669 4.417 -0.712 1.674 1.00 0.29 H new ATOM 0 HG LEU A 669 2.583 -1.079 4.058 1.00 0.35 H new ATOM 0 HD11 LEU A 669 2.457 -3.456 3.354 1.00 0.37 H new ATOM 0 HD12 LEU A 669 1.755 -2.367 2.134 1.00 0.37 H new ATOM 0 HD13 LEU A 669 3.376 -3.056 1.883 1.00 0.37 H new ATOM 0 HD21 LEU A 669 4.277 -2.707 4.804 1.00 0.39 H new ATOM 0 HD22 LEU A 669 5.281 -2.299 3.393 1.00 0.39 H new ATOM 0 HD23 LEU A 669 4.954 -1.070 4.638 1.00 0.39 H new ATOM 812 N THR A 670 6.153 1.558 1.905 1.00 0.27 N ATOM 813 CA THR A 670 7.589 1.813 1.919 1.00 0.30 C ATOM 814 C THR A 670 7.900 3.032 2.778 1.00 0.33 C ATOM 815 O THR A 670 8.956 3.105 3.401 1.00 0.37 O ATOM 816 CB THR A 670 8.188 2.000 0.503 1.00 0.33 C ATOM 817 OG1 THR A 670 9.567 2.375 0.595 1.00 0.34 O ATOM 818 CG2 THR A 670 7.446 3.056 -0.294 1.00 0.37 C ATOM 0 H THR A 670 5.694 1.738 1.012 1.00 0.27 H new ATOM 0 HA THR A 670 8.057 0.926 2.347 1.00 0.30 H new ATOM 0 HB THR A 670 8.089 1.045 -0.014 1.00 0.33 H new ATOM 0 HG1 THR A 670 10.120 1.570 0.677 1.00 0.34 H new ATOM 0 HG21 THR A 670 7.900 3.154 -1.280 1.00 0.37 H new ATOM 0 HG22 THR A 670 6.402 2.763 -0.403 1.00 0.37 H new ATOM 0 HG23 THR A 670 7.502 4.012 0.227 1.00 0.37 H new ATOM 826 N THR A 671 6.970 3.980 2.821 1.00 0.36 N ATOM 827 CA THR A 671 7.110 5.136 3.694 1.00 0.43 C ATOM 828 C THR A 671 7.170 4.693 5.161 1.00 0.45 C ATOM 829 O THR A 671 7.915 5.264 5.953 1.00 0.48 O ATOM 830 CB THR A 671 5.950 6.139 3.489 1.00 0.55 C ATOM 831 OG1 THR A 671 5.890 6.546 2.112 1.00 0.61 O ATOM 832 CG2 THR A 671 6.113 7.369 4.374 1.00 0.64 C ATOM 0 H THR A 671 6.116 3.970 2.264 1.00 0.36 H new ATOM 0 HA THR A 671 8.042 5.638 3.435 1.00 0.43 H new ATOM 0 HB THR A 671 5.024 5.637 3.767 1.00 0.55 H new ATOM 0 HG1 THR A 671 5.524 5.816 1.571 1.00 0.61 H new ATOM 0 HG21 THR A 671 5.281 8.052 4.204 1.00 0.64 H new ATOM 0 HG22 THR A 671 6.125 7.065 5.421 1.00 0.64 H new ATOM 0 HG23 THR A 671 7.050 7.871 4.131 1.00 0.64 H new ATOM 840 N LYS A 672 6.404 3.655 5.509 1.00 0.48 N ATOM 841 CA LYS A 672 6.440 3.098 6.860 1.00 0.58 C ATOM 842 C LYS A 672 7.820 2.528 7.157 1.00 0.51 C ATOM 843 O LYS A 672 8.411 2.800 8.204 1.00 0.56 O ATOM 844 CB LYS A 672 5.404 1.979 7.023 1.00 0.74 C ATOM 845 CG LYS A 672 3.954 2.433 6.993 1.00 1.19 C ATOM 846 CD LYS A 672 3.014 1.266 7.270 1.00 1.39 C ATOM 847 CE LYS A 672 3.366 0.573 8.582 1.00 1.74 C ATOM 848 NZ LYS A 672 2.482 -0.588 8.867 1.00 2.10 N ATOM 0 H LYS A 672 5.755 3.187 4.876 1.00 0.48 H new ATOM 0 HA LYS A 672 6.210 3.905 7.555 1.00 0.58 H new ATOM 0 HB2 LYS A 672 5.556 1.247 6.230 1.00 0.74 H new ATOM 0 HB3 LYS A 672 5.589 1.469 7.968 1.00 0.74 H new ATOM 0 HG2 LYS A 672 3.798 3.215 7.736 1.00 1.19 H new ATOM 0 HG3 LYS A 672 3.725 2.867 6.020 1.00 1.19 H new ATOM 0 HD2 LYS A 672 1.986 1.626 7.310 1.00 1.39 H new ATOM 0 HD3 LYS A 672 3.069 0.549 6.451 1.00 1.39 H new ATOM 0 HE2 LYS A 672 4.402 0.236 8.545 1.00 1.74 H new ATOM 0 HE3 LYS A 672 3.293 1.291 9.399 1.00 1.74 H new ATOM 0 HZ1 LYS A 672 2.762 -1.024 9.769 1.00 2.10 H new ATOM 0 HZ2 LYS A 672 1.495 -0.266 8.930 1.00 2.10 H new ATOM 0 HZ3 LYS A 672 2.570 -1.287 8.102 1.00 2.10 H new ATOM 862 N GLU A 673 8.333 1.760 6.205 1.00 0.46 N ATOM 863 CA GLU A 673 9.638 1.128 6.340 1.00 0.54 C ATOM 864 C GLU A 673 10.735 2.187 6.457 1.00 0.40 C ATOM 865 O GLU A 673 11.575 2.136 7.353 1.00 0.38 O ATOM 866 CB GLU A 673 9.903 0.236 5.125 1.00 0.79 C ATOM 867 CG GLU A 673 8.829 -0.821 4.874 1.00 0.39 C ATOM 868 CD GLU A 673 8.893 -1.999 5.832 1.00 0.66 C ATOM 869 OE1 GLU A 673 9.954 -2.649 5.918 1.00 1.30 O ATOM 870 OE2 GLU A 673 7.892 -2.268 6.530 1.00 1.22 O ATOM 0 H GLU A 673 7.860 1.559 5.324 1.00 0.46 H new ATOM 0 HA GLU A 673 9.644 0.521 7.245 1.00 0.54 H new ATOM 0 HB2 GLU A 673 9.991 0.865 4.239 1.00 0.79 H new ATOM 0 HB3 GLU A 673 10.863 -0.263 5.258 1.00 0.79 H new ATOM 0 HG2 GLU A 673 7.847 -0.354 4.952 1.00 0.39 H new ATOM 0 HG3 GLU A 673 8.926 -1.189 3.853 1.00 0.39 H new ATOM 877 N LEU A 674 10.691 3.157 5.553 1.00 0.37 N ATOM 878 CA LEU A 674 11.687 4.221 5.485 1.00 0.38 C ATOM 879 C LEU A 674 11.597 5.165 6.683 1.00 0.38 C ATOM 880 O LEU A 674 12.600 5.740 7.104 1.00 0.44 O ATOM 881 CB LEU A 674 11.513 5.007 4.181 1.00 0.48 C ATOM 882 CG LEU A 674 12.525 4.695 3.073 1.00 0.56 C ATOM 883 CD1 LEU A 674 13.943 4.941 3.553 1.00 0.85 C ATOM 884 CD2 LEU A 674 12.366 3.265 2.583 1.00 1.06 C ATOM 0 H LEU A 674 9.962 3.229 4.844 1.00 0.37 H new ATOM 0 HA LEU A 674 12.673 3.758 5.508 1.00 0.38 H new ATOM 0 HB2 LEU A 674 10.511 4.817 3.796 1.00 0.48 H new ATOM 0 HB3 LEU A 674 11.570 6.071 4.410 1.00 0.48 H new ATOM 0 HG LEU A 674 12.327 5.366 2.237 1.00 0.56 H new ATOM 0 HD11 LEU A 674 14.644 4.713 2.750 1.00 0.85 H new ATOM 0 HD12 LEU A 674 14.052 5.986 3.844 1.00 0.85 H new ATOM 0 HD13 LEU A 674 14.153 4.301 4.410 1.00 0.85 H new ATOM 0 HD21 LEU A 674 13.095 3.067 1.797 1.00 1.06 H new ATOM 0 HD22 LEU A 674 12.530 2.576 3.412 1.00 1.06 H new ATOM 0 HD23 LEU A 674 11.360 3.125 2.188 1.00 1.06 H new ATOM 896 N LYS A 675 10.397 5.331 7.229 1.00 0.39 N ATOM 897 CA LYS A 675 10.217 6.187 8.394 1.00 0.48 C ATOM 898 C LYS A 675 10.816 5.522 9.624 1.00 0.48 C ATOM 899 O LYS A 675 11.423 6.183 10.470 1.00 0.57 O ATOM 900 CB LYS A 675 8.737 6.490 8.629 1.00 0.59 C ATOM 901 CG LYS A 675 8.494 7.564 9.679 1.00 1.04 C ATOM 902 CD LYS A 675 7.013 7.852 9.852 1.00 1.53 C ATOM 903 CE LYS A 675 6.278 6.669 10.458 1.00 2.44 C ATOM 904 NZ LYS A 675 4.821 6.931 10.573 1.00 3.00 N ATOM 0 H LYS A 675 9.543 4.889 6.888 1.00 0.39 H new ATOM 0 HA LYS A 675 10.731 7.130 8.208 1.00 0.48 H new ATOM 0 HB2 LYS A 675 8.285 6.805 7.688 1.00 0.59 H new ATOM 0 HB3 LYS A 675 8.231 5.574 8.935 1.00 0.59 H new ATOM 0 HG2 LYS A 675 8.917 7.245 10.632 1.00 1.04 H new ATOM 0 HG3 LYS A 675 9.012 8.479 9.391 1.00 1.04 H new ATOM 0 HD2 LYS A 675 6.884 8.726 10.490 1.00 1.53 H new ATOM 0 HD3 LYS A 675 6.574 8.096 8.885 1.00 1.53 H new ATOM 0 HE2 LYS A 675 6.442 5.784 9.843 1.00 2.44 H new ATOM 0 HE3 LYS A 675 6.688 6.452 11.444 1.00 2.44 H new ATOM 0 HZ1 LYS A 675 4.351 6.102 10.991 1.00 3.00 H new ATOM 0 HZ2 LYS A 675 4.664 7.761 11.180 1.00 3.00 H new ATOM 0 HZ3 LYS A 675 4.426 7.114 9.629 1.00 3.00 H new ATOM 918 N LYS A 676 10.645 4.208 9.723 1.00 0.43 N ATOM 919 CA LYS A 676 11.243 3.451 10.813 1.00 0.48 C ATOM 920 C LYS A 676 12.750 3.365 10.633 1.00 0.42 C ATOM 921 O LYS A 676 13.516 3.669 11.549 1.00 0.50 O ATOM 922 CB LYS A 676 10.646 2.045 10.898 1.00 0.55 C ATOM 923 CG LYS A 676 9.173 2.029 11.272 1.00 1.42 C ATOM 924 CD LYS A 676 8.921 2.739 12.594 1.00 1.94 C ATOM 925 CE LYS A 676 9.645 2.064 13.748 1.00 2.50 C ATOM 926 NZ LYS A 676 9.429 2.783 15.029 1.00 3.41 N ATOM 0 H LYS A 676 10.101 3.649 9.066 1.00 0.43 H new ATOM 0 HA LYS A 676 11.025 3.974 11.744 1.00 0.48 H new ATOM 0 HB2 LYS A 676 10.773 1.547 9.937 1.00 0.55 H new ATOM 0 HB3 LYS A 676 11.205 1.466 11.633 1.00 0.55 H new ATOM 0 HG2 LYS A 676 8.592 2.509 10.484 1.00 1.42 H new ATOM 0 HG3 LYS A 676 8.826 0.998 11.341 1.00 1.42 H new ATOM 0 HD2 LYS A 676 9.248 3.776 12.517 1.00 1.94 H new ATOM 0 HD3 LYS A 676 7.850 2.757 12.798 1.00 1.94 H new ATOM 0 HE2 LYS A 676 9.296 1.036 13.845 1.00 2.50 H new ATOM 0 HE3 LYS A 676 10.712 2.019 13.531 1.00 2.50 H new ATOM 0 HZ1 LYS A 676 9.938 2.293 15.792 1.00 3.41 H new ATOM 0 HZ2 LYS A 676 9.785 3.757 14.945 1.00 3.41 H new ATOM 0 HZ3 LYS A 676 8.413 2.804 15.248 1.00 3.41 H new ATOM 940 N ASP A 677 13.170 2.963 9.447 1.00 0.37 N ATOM 941 CA ASP A 677 14.584 2.842 9.140 1.00 0.44 C ATOM 942 C ASP A 677 14.884 3.511 7.806 1.00 0.38 C ATOM 943 O ASP A 677 14.389 3.089 6.762 1.00 0.33 O ATOM 944 CB ASP A 677 15.011 1.370 9.094 1.00 0.60 C ATOM 945 CG ASP A 677 14.799 0.645 10.410 1.00 1.40 C ATOM 946 OD1 ASP A 677 15.654 0.771 11.310 1.00 1.68 O ATOM 947 OD2 ASP A 677 13.783 -0.072 10.548 1.00 2.13 O ATOM 0 H ASP A 677 12.549 2.714 8.677 1.00 0.37 H new ATOM 0 HA ASP A 677 15.150 3.338 9.929 1.00 0.44 H new ATOM 0 HB2 ASP A 677 14.450 0.860 8.311 1.00 0.60 H new ATOM 0 HB3 ASP A 677 16.065 1.312 8.820 1.00 0.60 H new ATOM 952 N SER A 678 15.702 4.551 7.846 1.00 0.47 N ATOM 953 CA SER A 678 16.027 5.323 6.653 1.00 0.52 C ATOM 954 C SER A 678 16.889 4.513 5.688 1.00 0.47 C ATOM 955 O SER A 678 17.066 4.883 4.529 1.00 0.52 O ATOM 956 CB SER A 678 16.733 6.615 7.056 1.00 0.72 C ATOM 957 OG SER A 678 17.739 6.360 8.026 1.00 0.83 O ATOM 0 H SER A 678 16.156 4.883 8.697 1.00 0.47 H new ATOM 0 HA SER A 678 15.101 5.569 6.134 1.00 0.52 H new ATOM 0 HB2 SER A 678 17.179 7.080 6.177 1.00 0.72 H new ATOM 0 HB3 SER A 678 16.006 7.322 7.457 1.00 0.72 H new ATOM 0 HG SER A 678 18.180 7.201 8.269 1.00 0.83 H new ATOM 963 N SER A 679 17.423 3.414 6.177 1.00 0.45 N ATOM 964 CA SER A 679 18.174 2.495 5.347 1.00 0.48 C ATOM 965 C SER A 679 17.563 1.103 5.440 1.00 0.42 C ATOM 966 O SER A 679 18.263 0.106 5.628 1.00 0.58 O ATOM 967 CB SER A 679 19.645 2.491 5.773 1.00 0.64 C ATOM 968 OG SER A 679 19.768 2.638 7.184 1.00 1.54 O ATOM 0 H SER A 679 17.350 3.133 7.155 1.00 0.45 H new ATOM 0 HA SER A 679 18.127 2.817 4.307 1.00 0.48 H new ATOM 0 HB2 SER A 679 20.116 1.560 5.458 1.00 0.64 H new ATOM 0 HB3 SER A 679 20.175 3.301 5.272 1.00 0.64 H new ATOM 0 HG SER A 679 20.716 2.631 7.432 1.00 1.54 H new ATOM 974 N ARG A 680 16.239 1.047 5.321 1.00 0.35 N ATOM 975 CA ARG A 680 15.512 -0.206 5.456 1.00 0.45 C ATOM 976 C ARG A 680 15.338 -0.857 4.091 1.00 0.34 C ATOM 977 O ARG A 680 14.456 -0.476 3.316 1.00 0.34 O ATOM 978 CB ARG A 680 14.160 0.063 6.114 1.00 0.64 C ATOM 979 CG ARG A 680 13.397 -1.177 6.541 1.00 0.66 C ATOM 980 CD ARG A 680 12.426 -0.841 7.663 1.00 1.09 C ATOM 981 NE ARG A 680 11.460 -1.906 7.917 1.00 1.07 N ATOM 982 CZ ARG A 680 11.143 -2.353 9.129 1.00 1.63 C ATOM 983 NH1 ARG A 680 11.772 -1.879 10.206 1.00 2.62 N ATOM 984 NH2 ARG A 680 10.195 -3.278 9.258 1.00 1.71 N ATOM 0 H ARG A 680 15.650 1.858 5.131 1.00 0.35 H new ATOM 0 HA ARG A 680 16.076 -0.894 6.086 1.00 0.45 H new ATOM 0 HB2 ARG A 680 14.318 0.694 6.989 1.00 0.64 H new ATOM 0 HB3 ARG A 680 13.541 0.631 5.419 1.00 0.64 H new ATOM 0 HG2 ARG A 680 12.852 -1.588 5.691 1.00 0.66 H new ATOM 0 HG3 ARG A 680 14.095 -1.945 6.873 1.00 0.66 H new ATOM 0 HD2 ARG A 680 12.988 -0.642 8.576 1.00 1.09 H new ATOM 0 HD3 ARG A 680 11.891 0.075 7.412 1.00 1.09 H new ATOM 0 HE ARG A 680 10.999 -2.334 7.114 1.00 1.07 H new ATOM 0 HH11 ARG A 680 12.499 -1.171 10.102 1.00 2.62 H new ATOM 0 HH12 ARG A 680 11.526 -2.224 11.134 1.00 2.62 H new ATOM 0 HH21 ARG A 680 9.718 -3.638 8.431 1.00 1.71 H new ATOM 0 HH22 ARG A 680 9.945 -3.627 10.183 1.00 1.71 H new ATOM 998 N ALA A 681 16.199 -1.821 3.801 1.00 0.36 N ATOM 999 CA ALA A 681 16.203 -2.502 2.516 1.00 0.31 C ATOM 1000 C ALA A 681 15.012 -3.444 2.392 1.00 0.27 C ATOM 1001 O ALA A 681 14.662 -4.148 3.343 1.00 0.34 O ATOM 1002 CB ALA A 681 17.506 -3.267 2.341 1.00 0.40 C ATOM 0 H ALA A 681 16.913 -2.152 4.449 1.00 0.36 H new ATOM 0 HA ALA A 681 16.120 -1.753 1.728 1.00 0.31 H new ATOM 0 HB1 ALA A 681 17.503 -3.775 1.377 1.00 0.40 H new ATOM 0 HB2 ALA A 681 18.344 -2.572 2.382 1.00 0.40 H new ATOM 0 HB3 ALA A 681 17.606 -4.003 3.139 1.00 0.40 H new ATOM 1008 N PRO A 682 14.381 -3.469 1.211 1.00 0.24 N ATOM 1009 CA PRO A 682 13.224 -4.325 0.947 1.00 0.23 C ATOM 1010 C PRO A 682 13.592 -5.799 1.011 1.00 0.25 C ATOM 1011 O PRO A 682 14.572 -6.222 0.392 1.00 0.31 O ATOM 1012 CB PRO A 682 12.804 -3.959 -0.484 1.00 0.27 C ATOM 1013 CG PRO A 682 13.515 -2.688 -0.805 1.00 0.29 C ATOM 1014 CD PRO A 682 14.755 -2.669 0.036 1.00 0.31 C ATOM 0 HA PRO A 682 12.435 -4.173 1.684 1.00 0.23 H new ATOM 0 HB2 PRO A 682 13.077 -4.747 -1.185 1.00 0.27 H new ATOM 0 HB3 PRO A 682 11.724 -3.831 -0.554 1.00 0.27 H new ATOM 0 HG2 PRO A 682 13.765 -2.640 -1.865 1.00 0.29 H new ATOM 0 HG3 PRO A 682 12.885 -1.826 -0.587 1.00 0.29 H new ATOM 0 HD2 PRO A 682 15.605 -3.102 -0.491 1.00 0.31 H new ATOM 0 HD3 PRO A 682 15.036 -1.653 0.314 1.00 0.31 H new ATOM 1022 N PRO A 683 12.834 -6.603 1.772 1.00 0.25 N ATOM 1023 CA PRO A 683 13.040 -8.048 1.817 1.00 0.27 C ATOM 1024 C PRO A 683 12.934 -8.654 0.425 1.00 0.29 C ATOM 1025 O PRO A 683 12.144 -8.172 -0.387 1.00 0.38 O ATOM 1026 CB PRO A 683 11.915 -8.568 2.721 1.00 0.32 C ATOM 1027 CG PRO A 683 10.939 -7.443 2.829 1.00 0.38 C ATOM 1028 CD PRO A 683 11.729 -6.180 2.646 1.00 0.28 C ATOM 0 HA PRO A 683 14.029 -8.312 2.190 1.00 0.27 H new ATOM 0 HB2 PRO A 683 11.446 -9.455 2.294 1.00 0.32 H new ATOM 0 HB3 PRO A 683 12.298 -8.851 3.701 1.00 0.32 H new ATOM 0 HG2 PRO A 683 10.162 -7.529 2.070 1.00 0.38 H new ATOM 0 HG3 PRO A 683 10.440 -7.453 3.798 1.00 0.38 H new ATOM 0 HD2 PRO A 683 11.131 -5.393 2.187 1.00 0.28 H new ATOM 0 HD3 PRO A 683 12.093 -5.791 3.597 1.00 0.28 H new ATOM 1036 N ASP A 684 13.746 -9.661 0.131 1.00 0.37 N ATOM 1037 CA ASP A 684 13.813 -10.214 -1.224 1.00 0.47 C ATOM 1038 C ASP A 684 12.430 -10.549 -1.761 1.00 0.37 C ATOM 1039 O ASP A 684 12.066 -10.132 -2.867 1.00 0.40 O ATOM 1040 CB ASP A 684 14.714 -11.451 -1.268 1.00 0.70 C ATOM 1041 CG ASP A 684 16.172 -11.095 -1.087 1.00 1.52 C ATOM 1042 OD1 ASP A 684 16.809 -10.656 -2.068 1.00 2.04 O ATOM 1043 OD2 ASP A 684 16.701 -11.275 0.033 1.00 2.24 O ATOM 0 H ASP A 684 14.365 -10.112 0.804 1.00 0.37 H new ATOM 0 HA ASP A 684 14.246 -9.446 -1.865 1.00 0.47 H new ATOM 0 HB2 ASP A 684 14.411 -12.148 -0.487 1.00 0.70 H new ATOM 0 HB3 ASP A 684 14.581 -11.963 -2.221 1.00 0.70 H new ATOM 1048 N ASP A 685 11.655 -11.271 -0.968 1.00 0.36 N ATOM 1049 CA ASP A 685 10.307 -11.647 -1.360 1.00 0.39 C ATOM 1050 C ASP A 685 9.360 -11.579 -0.180 1.00 0.34 C ATOM 1051 O ASP A 685 9.779 -11.503 0.978 1.00 0.31 O ATOM 1052 CB ASP A 685 10.285 -13.050 -1.970 1.00 0.61 C ATOM 1053 CG ASP A 685 10.727 -13.058 -3.421 1.00 1.11 C ATOM 1054 OD1 ASP A 685 9.946 -12.620 -4.292 1.00 1.54 O ATOM 1055 OD2 ASP A 685 11.864 -13.500 -3.700 1.00 1.95 O ATOM 0 H ASP A 685 11.937 -11.609 -0.048 1.00 0.36 H new ATOM 0 HA ASP A 685 9.973 -10.935 -2.115 1.00 0.39 H new ATOM 0 HB2 ASP A 685 10.936 -13.705 -1.391 1.00 0.61 H new ATOM 0 HB3 ASP A 685 9.277 -13.459 -1.898 1.00 0.61 H new ATOM 1060 N LEU A 686 8.079 -11.588 -0.507 1.00 0.39 N ATOM 1061 CA LEU A 686 7.006 -11.464 0.462 1.00 0.39 C ATOM 1062 C LEU A 686 6.908 -12.735 1.300 1.00 0.40 C ATOM 1063 O LEU A 686 6.307 -13.728 0.890 1.00 0.47 O ATOM 1064 CB LEU A 686 5.712 -11.165 -0.316 1.00 0.51 C ATOM 1065 CG LEU A 686 4.521 -10.636 0.486 1.00 0.50 C ATOM 1066 CD1 LEU A 686 3.766 -11.778 1.121 1.00 1.27 C ATOM 1067 CD2 LEU A 686 4.963 -9.623 1.537 1.00 0.94 C ATOM 0 H LEU A 686 7.751 -11.683 -1.468 1.00 0.39 H new ATOM 0 HA LEU A 686 7.192 -10.650 1.163 1.00 0.39 H new ATOM 0 HB2 LEU A 686 5.946 -10.438 -1.094 1.00 0.51 H new ATOM 0 HB3 LEU A 686 5.401 -12.081 -0.819 1.00 0.51 H new ATOM 0 HG LEU A 686 3.853 -10.120 -0.203 1.00 0.50 H new ATOM 0 HD11 LEU A 686 2.922 -11.385 1.688 1.00 1.27 H new ATOM 0 HD12 LEU A 686 3.400 -12.449 0.344 1.00 1.27 H new ATOM 0 HD13 LEU A 686 4.430 -12.325 1.790 1.00 1.27 H new ATOM 0 HD21 LEU A 686 4.093 -9.267 2.088 1.00 0.94 H new ATOM 0 HD22 LEU A 686 5.661 -10.096 2.227 1.00 0.94 H new ATOM 0 HD23 LEU A 686 5.451 -8.780 1.047 1.00 0.94 H new ATOM 1079 N THR A 687 7.546 -12.698 2.466 1.00 0.40 N ATOM 1080 CA THR A 687 7.532 -13.816 3.394 1.00 0.47 C ATOM 1081 C THR A 687 6.253 -13.808 4.219 1.00 0.42 C ATOM 1082 O THR A 687 5.533 -12.814 4.217 1.00 0.46 O ATOM 1083 CB THR A 687 8.751 -13.774 4.335 1.00 0.58 C ATOM 1084 OG1 THR A 687 8.875 -12.465 4.918 1.00 0.76 O ATOM 1085 CG2 THR A 687 10.027 -14.127 3.586 1.00 1.00 C ATOM 0 H THR A 687 8.084 -11.894 2.790 1.00 0.40 H new ATOM 0 HA THR A 687 7.577 -14.733 2.806 1.00 0.47 H new ATOM 0 HB THR A 687 8.600 -14.510 5.124 1.00 0.58 H new ATOM 0 HG1 THR A 687 9.651 -12.446 5.516 1.00 0.76 H new ATOM 0 HG21 THR A 687 10.873 -14.090 4.272 1.00 1.00 H new ATOM 0 HG22 THR A 687 9.939 -15.131 3.171 1.00 1.00 H new ATOM 0 HG23 THR A 687 10.184 -13.413 2.778 1.00 1.00 H new ATOM 1093 N LYS A 688 5.973 -14.892 4.930 1.00 0.42 N ATOM 1094 CA LYS A 688 4.729 -14.999 5.690 1.00 0.41 C ATOM 1095 C LYS A 688 4.658 -13.945 6.797 1.00 0.35 C ATOM 1096 O LYS A 688 3.595 -13.371 7.052 1.00 0.34 O ATOM 1097 CB LYS A 688 4.578 -16.407 6.274 1.00 0.54 C ATOM 1098 CG LYS A 688 4.518 -17.494 5.210 1.00 1.39 C ATOM 1099 CD LYS A 688 4.346 -18.876 5.812 1.00 1.84 C ATOM 1100 CE LYS A 688 3.006 -19.027 6.508 1.00 2.44 C ATOM 1101 NZ LYS A 688 2.818 -20.402 7.039 1.00 2.94 N ATOM 0 H LYS A 688 6.584 -15.706 4.998 1.00 0.42 H new ATOM 0 HA LYS A 688 3.902 -14.815 5.005 1.00 0.41 H new ATOM 0 HB2 LYS A 688 5.415 -16.608 6.943 1.00 0.54 H new ATOM 0 HB3 LYS A 688 3.671 -16.448 6.877 1.00 0.54 H new ATOM 0 HG2 LYS A 688 3.690 -17.290 4.531 1.00 1.39 H new ATOM 0 HG3 LYS A 688 5.432 -17.469 4.616 1.00 1.39 H new ATOM 0 HD2 LYS A 688 4.434 -19.627 5.027 1.00 1.84 H new ATOM 0 HD3 LYS A 688 5.149 -19.064 6.525 1.00 1.84 H new ATOM 0 HE2 LYS A 688 2.936 -18.308 7.324 1.00 2.44 H new ATOM 0 HE3 LYS A 688 2.203 -18.794 5.808 1.00 2.44 H new ATOM 0 HZ1 LYS A 688 1.892 -20.469 7.508 1.00 2.94 H new ATOM 0 HZ2 LYS A 688 2.860 -21.085 6.256 1.00 2.94 H new ATOM 0 HZ3 LYS A 688 3.570 -20.615 7.725 1.00 2.94 H new ATOM 1115 N GLY A 689 5.796 -13.670 7.424 1.00 0.43 N ATOM 1116 CA GLY A 689 5.845 -12.677 8.483 1.00 0.48 C ATOM 1117 C GLY A 689 5.498 -11.287 7.985 1.00 0.39 C ATOM 1118 O GLY A 689 4.647 -10.603 8.559 1.00 0.44 O ATOM 0 H GLY A 689 6.689 -14.118 7.218 1.00 0.43 H new ATOM 0 HA2 GLY A 689 5.152 -12.960 9.276 1.00 0.48 H new ATOM 0 HA3 GLY A 689 6.843 -12.665 8.921 1.00 0.48 H new ATOM 1122 N LYS A 690 6.150 -10.868 6.905 1.00 0.37 N ATOM 1123 CA LYS A 690 5.870 -9.570 6.306 1.00 0.34 C ATOM 1124 C LYS A 690 4.483 -9.588 5.668 1.00 0.23 C ATOM 1125 O LYS A 690 3.786 -8.575 5.649 1.00 0.24 O ATOM 1126 CB LYS A 690 6.936 -9.214 5.261 1.00 0.48 C ATOM 1127 CG LYS A 690 7.485 -7.793 5.385 1.00 0.73 C ATOM 1128 CD LYS A 690 6.385 -6.745 5.309 1.00 0.83 C ATOM 1129 CE LYS A 690 6.941 -5.327 5.224 1.00 0.84 C ATOM 1130 NZ LYS A 690 7.771 -4.957 6.402 1.00 0.95 N ATOM 0 H LYS A 690 6.873 -11.407 6.429 1.00 0.37 H new ATOM 0 HA LYS A 690 5.894 -8.809 7.086 1.00 0.34 H new ATOM 0 HB2 LYS A 690 7.762 -9.920 5.347 1.00 0.48 H new ATOM 0 HB3 LYS A 690 6.510 -9.341 4.266 1.00 0.48 H new ATOM 0 HG2 LYS A 690 8.017 -7.692 6.331 1.00 0.73 H new ATOM 0 HG3 LYS A 690 8.210 -7.615 4.591 1.00 0.73 H new ATOM 0 HD2 LYS A 690 5.760 -6.940 4.438 1.00 0.83 H new ATOM 0 HD3 LYS A 690 5.744 -6.830 6.187 1.00 0.83 H new ATOM 0 HE2 LYS A 690 7.541 -5.232 4.319 1.00 0.84 H new ATOM 0 HE3 LYS A 690 6.114 -4.623 5.134 1.00 0.84 H new ATOM 0 HZ1 LYS A 690 7.534 -3.990 6.704 1.00 0.95 H new ATOM 0 HZ2 LYS A 690 7.582 -5.619 7.182 1.00 0.95 H new ATOM 0 HZ3 LYS A 690 8.778 -5.003 6.145 1.00 0.95 H new ATOM 1144 N ARG A 691 4.092 -10.756 5.161 1.00 0.24 N ATOM 1145 CA ARG A 691 2.774 -10.956 4.566 1.00 0.26 C ATOM 1146 C ARG A 691 1.666 -10.596 5.542 1.00 0.28 C ATOM 1147 O ARG A 691 0.732 -9.879 5.197 1.00 0.34 O ATOM 1148 CB ARG A 691 2.601 -12.411 4.128 1.00 0.40 C ATOM 1149 CG ARG A 691 1.159 -12.779 3.810 1.00 0.53 C ATOM 1150 CD ARG A 691 0.998 -14.257 3.500 1.00 0.76 C ATOM 1151 NE ARG A 691 1.684 -14.654 2.270 1.00 1.38 N ATOM 1152 CZ ARG A 691 1.137 -15.438 1.341 1.00 1.90 C ATOM 1153 NH1 ARG A 691 -0.103 -15.886 1.489 1.00 2.02 N ATOM 1154 NH2 ARG A 691 1.830 -15.771 0.257 1.00 2.83 N ATOM 0 H ARG A 691 4.680 -11.589 5.152 1.00 0.24 H new ATOM 0 HA ARG A 691 2.705 -10.300 3.698 1.00 0.26 H new ATOM 0 HB2 ARG A 691 3.217 -12.593 3.248 1.00 0.40 H new ATOM 0 HB3 ARG A 691 2.970 -13.066 4.917 1.00 0.40 H new ATOM 0 HG2 ARG A 691 0.524 -12.516 4.656 1.00 0.53 H new ATOM 0 HG3 ARG A 691 0.815 -12.192 2.959 1.00 0.53 H new ATOM 0 HD2 ARG A 691 1.386 -14.843 4.333 1.00 0.76 H new ATOM 0 HD3 ARG A 691 -0.063 -14.492 3.412 1.00 0.76 H new ATOM 0 HE ARG A 691 2.632 -14.312 2.115 1.00 1.38 H new ATOM 0 HH11 ARG A 691 -0.642 -15.631 2.316 1.00 2.02 H new ATOM 0 HH12 ARG A 691 -0.517 -16.486 0.775 1.00 2.02 H new ATOM 0 HH21 ARG A 691 2.782 -15.427 0.135 1.00 2.83 H new ATOM 0 HH22 ARG A 691 1.410 -16.371 -0.453 1.00 2.83 H new ATOM 1168 N HIS A 692 1.766 -11.102 6.760 1.00 0.31 N ATOM 1169 CA HIS A 692 0.753 -10.830 7.765 1.00 0.41 C ATOM 1170 C HIS A 692 0.697 -9.333 8.063 1.00 0.40 C ATOM 1171 O HIS A 692 -0.382 -8.758 8.191 1.00 0.48 O ATOM 1172 CB HIS A 692 1.032 -11.627 9.044 1.00 0.54 C ATOM 1173 CG HIS A 692 -0.036 -11.490 10.087 1.00 0.90 C ATOM 1174 ND1 HIS A 692 -1.253 -12.135 10.012 1.00 1.60 N ATOM 1175 CD2 HIS A 692 -0.064 -10.777 11.236 1.00 1.58 C ATOM 1176 CE1 HIS A 692 -1.981 -11.822 11.068 1.00 1.90 C ATOM 1177 NE2 HIS A 692 -1.281 -11.001 11.825 1.00 1.83 N ATOM 0 H HIS A 692 2.531 -11.698 7.075 1.00 0.31 H new ATOM 0 HA HIS A 692 -0.216 -11.144 7.377 1.00 0.41 H new ATOM 0 HB2 HIS A 692 1.143 -12.681 8.788 1.00 0.54 H new ATOM 0 HB3 HIS A 692 1.982 -11.299 9.465 1.00 0.54 H new ATOM 0 HD2 HIS A 692 0.726 -10.148 11.618 1.00 1.58 H new ATOM 0 HE1 HIS A 692 -2.979 -12.178 11.276 1.00 1.90 H new ATOM 0 HE2 HIS A 692 -1.595 -10.597 12.708 1.00 1.83 H new ATOM 1186 N LYS A 693 1.867 -8.710 8.146 1.00 0.34 N ATOM 1187 CA LYS A 693 1.964 -7.287 8.455 1.00 0.38 C ATOM 1188 C LYS A 693 1.466 -6.404 7.307 1.00 0.30 C ATOM 1189 O LYS A 693 0.920 -5.327 7.546 1.00 0.35 O ATOM 1190 CB LYS A 693 3.396 -6.917 8.842 1.00 0.45 C ATOM 1191 CG LYS A 693 3.845 -7.572 10.137 1.00 1.15 C ATOM 1192 CD LYS A 693 5.162 -7.002 10.629 1.00 1.51 C ATOM 1193 CE LYS A 693 5.532 -7.568 11.991 1.00 1.69 C ATOM 1194 NZ LYS A 693 6.755 -6.933 12.548 1.00 1.99 N ATOM 0 H LYS A 693 2.766 -9.170 8.003 1.00 0.34 H new ATOM 0 HA LYS A 693 1.309 -7.099 9.306 1.00 0.38 H new ATOM 0 HB2 LYS A 693 4.072 -7.211 8.039 1.00 0.45 H new ATOM 0 HB3 LYS A 693 3.472 -5.834 8.943 1.00 0.45 H new ATOM 0 HG2 LYS A 693 3.080 -7.431 10.900 1.00 1.15 H new ATOM 0 HG3 LYS A 693 3.948 -8.646 9.984 1.00 1.15 H new ATOM 0 HD2 LYS A 693 5.950 -7.229 9.911 1.00 1.51 H new ATOM 0 HD3 LYS A 693 5.091 -5.916 10.691 1.00 1.51 H new ATOM 0 HE2 LYS A 693 4.702 -7.421 12.682 1.00 1.69 H new ATOM 0 HE3 LYS A 693 5.689 -8.643 11.905 1.00 1.69 H new ATOM 0 HZ1 LYS A 693 6.970 -7.349 13.477 1.00 1.99 H new ATOM 0 HZ2 LYS A 693 7.555 -7.094 11.903 1.00 1.99 H new ATOM 0 HZ3 LYS A 693 6.597 -5.911 12.655 1.00 1.99 H new ATOM 1208 N VAL A 694 1.657 -6.837 6.062 1.00 0.22 N ATOM 1209 CA VAL A 694 1.125 -6.081 4.930 1.00 0.20 C ATOM 1210 C VAL A 694 -0.377 -6.315 4.801 1.00 0.22 C ATOM 1211 O VAL A 694 -1.121 -5.414 4.429 1.00 0.25 O ATOM 1212 CB VAL A 694 1.832 -6.405 3.587 1.00 0.19 C ATOM 1213 CG1 VAL A 694 3.309 -6.061 3.661 1.00 0.24 C ATOM 1214 CG2 VAL A 694 1.642 -7.858 3.178 1.00 0.19 C ATOM 0 H VAL A 694 2.164 -7.687 5.814 1.00 0.22 H new ATOM 0 HA VAL A 694 1.322 -5.030 5.140 1.00 0.20 H new ATOM 0 HB VAL A 694 1.366 -5.787 2.820 1.00 0.19 H new ATOM 0 HG11 VAL A 694 3.785 -6.296 2.709 1.00 0.24 H new ATOM 0 HG12 VAL A 694 3.425 -4.998 3.872 1.00 0.24 H new ATOM 0 HG13 VAL A 694 3.779 -6.642 4.455 1.00 0.24 H new ATOM 0 HG21 VAL A 694 2.153 -8.040 2.233 1.00 0.19 H new ATOM 0 HG22 VAL A 694 2.058 -8.510 3.947 1.00 0.19 H new ATOM 0 HG23 VAL A 694 0.579 -8.067 3.061 1.00 0.19 H new ATOM 1224 N LYS A 695 -0.812 -7.522 5.154 1.00 0.22 N ATOM 1225 CA LYS A 695 -2.217 -7.902 5.059 1.00 0.27 C ATOM 1226 C LYS A 695 -3.052 -7.162 6.103 1.00 0.31 C ATOM 1227 O LYS A 695 -4.132 -6.663 5.797 1.00 0.36 O ATOM 1228 CB LYS A 695 -2.359 -9.424 5.222 1.00 0.30 C ATOM 1229 CG LYS A 695 -3.777 -9.954 5.026 1.00 0.98 C ATOM 1230 CD LYS A 695 -4.547 -10.026 6.338 1.00 1.59 C ATOM 1231 CE LYS A 695 -5.960 -10.543 6.124 1.00 2.05 C ATOM 1232 NZ LYS A 695 -6.683 -10.731 7.408 1.00 2.49 N ATOM 0 H LYS A 695 -0.204 -8.259 5.512 1.00 0.22 H new ATOM 0 HA LYS A 695 -2.591 -7.620 4.075 1.00 0.27 H new ATOM 0 HB2 LYS A 695 -1.699 -9.916 4.507 1.00 0.30 H new ATOM 0 HB3 LYS A 695 -2.015 -9.703 6.218 1.00 0.30 H new ATOM 0 HG2 LYS A 695 -4.311 -9.310 4.327 1.00 0.98 H new ATOM 0 HG3 LYS A 695 -3.734 -10.946 4.576 1.00 0.98 H new ATOM 0 HD2 LYS A 695 -4.021 -10.678 7.035 1.00 1.59 H new ATOM 0 HD3 LYS A 695 -4.585 -9.037 6.794 1.00 1.59 H new ATOM 0 HE2 LYS A 695 -6.511 -9.843 5.496 1.00 2.05 H new ATOM 0 HE3 LYS A 695 -5.922 -11.491 5.587 1.00 2.05 H new ATOM 0 HZ1 LYS A 695 -7.642 -11.084 7.218 1.00 2.49 H new ATOM 0 HZ2 LYS A 695 -6.171 -11.418 7.997 1.00 2.49 H new ATOM 0 HZ3 LYS A 695 -6.742 -9.822 7.909 1.00 2.49 H new ATOM 1246 N GLU A 696 -2.554 -7.090 7.334 1.00 0.34 N ATOM 1247 CA GLU A 696 -3.271 -6.386 8.392 1.00 0.43 C ATOM 1248 C GLU A 696 -3.309 -4.889 8.102 1.00 0.36 C ATOM 1249 O GLU A 696 -4.319 -4.224 8.352 1.00 0.39 O ATOM 1250 CB GLU A 696 -2.640 -6.652 9.766 1.00 0.55 C ATOM 1251 CG GLU A 696 -1.178 -6.248 9.874 1.00 1.22 C ATOM 1252 CD GLU A 696 -0.601 -6.531 11.243 1.00 1.97 C ATOM 1253 OE1 GLU A 696 -0.544 -7.715 11.635 1.00 2.62 O ATOM 1254 OE2 GLU A 696 -0.198 -5.573 11.935 1.00 2.45 O ATOM 0 H GLU A 696 -1.668 -7.505 7.621 1.00 0.34 H new ATOM 0 HA GLU A 696 -4.293 -6.765 8.416 1.00 0.43 H new ATOM 0 HB2 GLU A 696 -3.210 -6.115 10.524 1.00 0.55 H new ATOM 0 HB3 GLU A 696 -2.729 -7.714 9.994 1.00 0.55 H new ATOM 0 HG2 GLU A 696 -0.599 -6.783 9.121 1.00 1.22 H new ATOM 0 HG3 GLU A 696 -1.081 -5.185 9.654 1.00 1.22 H new ATOM 1261 N PHE A 697 -2.211 -4.372 7.555 1.00 0.31 N ATOM 1262 CA PHE A 697 -2.132 -2.969 7.178 1.00 0.31 C ATOM 1263 C PHE A 697 -3.125 -2.657 6.068 1.00 0.27 C ATOM 1264 O PHE A 697 -3.933 -1.738 6.195 1.00 0.30 O ATOM 1265 CB PHE A 697 -0.712 -2.598 6.729 1.00 0.37 C ATOM 1266 CG PHE A 697 -0.630 -1.265 6.037 1.00 0.36 C ATOM 1267 CD1 PHE A 697 -0.752 -0.084 6.751 1.00 0.52 C ATOM 1268 CD2 PHE A 697 -0.442 -1.198 4.666 1.00 0.30 C ATOM 1269 CE1 PHE A 697 -0.693 1.139 6.108 1.00 0.59 C ATOM 1270 CE2 PHE A 697 -0.379 0.018 4.020 1.00 0.34 C ATOM 1271 CZ PHE A 697 -0.503 1.188 4.741 1.00 0.49 C ATOM 0 H PHE A 697 -1.364 -4.907 7.364 1.00 0.31 H new ATOM 0 HA PHE A 697 -2.383 -2.374 8.056 1.00 0.31 H new ATOM 0 HB2 PHE A 697 -0.056 -2.588 7.599 1.00 0.37 H new ATOM 0 HB3 PHE A 697 -0.338 -3.371 6.057 1.00 0.37 H new ATOM 0 HD1 PHE A 697 -0.895 -0.119 7.821 1.00 0.52 H new ATOM 0 HD2 PHE A 697 -0.344 -2.110 4.096 1.00 0.30 H new ATOM 0 HE1 PHE A 697 -0.795 2.053 6.673 1.00 0.59 H new ATOM 0 HE2 PHE A 697 -0.233 0.055 2.951 1.00 0.34 H new ATOM 0 HZ PHE A 697 -0.451 2.142 4.237 1.00 0.49 H new ATOM 1281 N ILE A 698 -3.081 -3.438 4.991 1.00 0.24 N ATOM 1282 CA ILE A 698 -3.957 -3.196 3.855 1.00 0.24 C ATOM 1283 C ILE A 698 -5.419 -3.364 4.263 1.00 0.25 C ATOM 1284 O ILE A 698 -6.265 -2.602 3.830 1.00 0.29 O ATOM 1285 CB ILE A 698 -3.617 -4.098 2.632 1.00 0.26 C ATOM 1286 CG1 ILE A 698 -4.492 -3.735 1.431 1.00 0.38 C ATOM 1287 CG2 ILE A 698 -3.788 -5.573 2.954 1.00 0.31 C ATOM 1288 CD1 ILE A 698 -4.410 -2.287 1.022 1.00 1.25 C ATOM 0 H ILE A 698 -2.454 -4.235 4.884 1.00 0.24 H new ATOM 0 HA ILE A 698 -3.792 -2.166 3.539 1.00 0.24 H new ATOM 0 HB ILE A 698 -2.570 -3.919 2.386 1.00 0.26 H new ATOM 0 HG12 ILE A 698 -4.203 -4.357 0.584 1.00 0.38 H new ATOM 0 HG13 ILE A 698 -5.529 -3.977 1.665 1.00 0.38 H new ATOM 0 HG21 ILE A 698 -3.541 -6.168 2.075 1.00 0.31 H new ATOM 0 HG22 ILE A 698 -3.125 -5.846 3.775 1.00 0.31 H new ATOM 0 HG23 ILE A 698 -4.821 -5.765 3.244 1.00 0.31 H new ATOM 0 HD11 ILE A 698 -5.060 -2.114 0.164 1.00 1.25 H new ATOM 0 HD12 ILE A 698 -4.729 -1.656 1.852 1.00 1.25 H new ATOM 0 HD13 ILE A 698 -3.382 -2.042 0.754 1.00 1.25 H new ATOM 1300 N ASN A 699 -5.695 -4.329 5.133 1.00 0.26 N ATOM 1301 CA ASN A 699 -7.058 -4.574 5.606 1.00 0.31 C ATOM 1302 C ASN A 699 -7.655 -3.323 6.260 1.00 0.33 C ATOM 1303 O ASN A 699 -8.740 -2.866 5.884 1.00 0.37 O ATOM 1304 CB ASN A 699 -7.050 -5.740 6.602 1.00 0.35 C ATOM 1305 CG ASN A 699 -8.353 -5.887 7.359 1.00 0.42 C ATOM 1306 OD1 ASN A 699 -9.266 -6.578 6.916 1.00 0.49 O ATOM 1307 ND2 ASN A 699 -8.438 -5.235 8.506 1.00 0.47 N ATOM 0 H ASN A 699 -4.994 -4.957 5.527 1.00 0.26 H new ATOM 0 HA ASN A 699 -7.681 -4.828 4.749 1.00 0.31 H new ATOM 0 HB2 ASN A 699 -6.842 -6.666 6.066 1.00 0.35 H new ATOM 0 HB3 ASN A 699 -6.238 -5.595 7.314 1.00 0.35 H new ATOM 0 HD21 ASN A 699 -9.290 -5.294 9.064 1.00 0.47 H new ATOM 0 HD22 ASN A 699 -7.652 -4.673 8.833 1.00 0.47 H new ATOM 1314 N SER A 700 -6.927 -2.751 7.212 1.00 0.34 N ATOM 1315 CA SER A 700 -7.370 -1.538 7.888 1.00 0.39 C ATOM 1316 C SER A 700 -7.370 -0.363 6.912 1.00 0.38 C ATOM 1317 O SER A 700 -8.209 0.538 6.994 1.00 0.45 O ATOM 1318 CB SER A 700 -6.463 -1.245 9.082 1.00 0.44 C ATOM 1319 OG SER A 700 -6.978 -0.197 9.891 1.00 1.42 O ATOM 0 H SER A 700 -6.027 -3.108 7.533 1.00 0.34 H new ATOM 0 HA SER A 700 -8.387 -1.684 8.252 1.00 0.39 H new ATOM 0 HB2 SER A 700 -6.351 -2.147 9.684 1.00 0.44 H new ATOM 0 HB3 SER A 700 -5.469 -0.974 8.726 1.00 0.44 H new ATOM 0 HG SER A 700 -6.373 -0.038 10.645 1.00 1.42 H new ATOM 1325 N TYR A 701 -6.417 -0.392 5.990 1.00 0.33 N ATOM 1326 CA TYR A 701 -6.289 0.631 4.963 1.00 0.36 C ATOM 1327 C TYR A 701 -7.534 0.664 4.067 1.00 0.35 C ATOM 1328 O TYR A 701 -8.045 1.736 3.755 1.00 0.42 O ATOM 1329 CB TYR A 701 -5.023 0.358 4.146 1.00 0.38 C ATOM 1330 CG TYR A 701 -4.754 1.355 3.045 1.00 0.45 C ATOM 1331 CD1 TYR A 701 -4.373 2.652 3.346 1.00 0.95 C ATOM 1332 CD2 TYR A 701 -4.890 1.001 1.711 1.00 1.37 C ATOM 1333 CE1 TYR A 701 -4.128 3.570 2.350 1.00 0.98 C ATOM 1334 CE2 TYR A 701 -4.641 1.914 0.706 1.00 1.43 C ATOM 1335 CZ TYR A 701 -4.255 3.174 1.012 1.00 0.65 C ATOM 1336 OH TYR A 701 -3.998 4.105 0.039 1.00 0.75 O ATOM 0 H TYR A 701 -5.711 -1.126 5.934 1.00 0.33 H new ATOM 0 HA TYR A 701 -6.206 1.611 5.432 1.00 0.36 H new ATOM 0 HB2 TYR A 701 -4.168 0.344 4.821 1.00 0.38 H new ATOM 0 HB3 TYR A 701 -5.098 -0.636 3.706 1.00 0.38 H new ATOM 0 HD1 TYR A 701 -4.266 2.948 4.379 1.00 0.95 H new ATOM 0 HD2 TYR A 701 -5.195 -0.003 1.455 1.00 1.37 H new ATOM 0 HE1 TYR A 701 -3.842 4.582 2.597 1.00 0.98 H new ATOM 0 HE2 TYR A 701 -4.755 1.622 -0.327 1.00 1.43 H new ATOM 0 HH TYR A 701 -3.400 4.795 0.396 1.00 0.75 H new ATOM 1346 N MET A 702 -8.025 -0.515 3.685 1.00 0.31 N ATOM 1347 CA MET A 702 -9.241 -0.638 2.870 1.00 0.36 C ATOM 1348 C MET A 702 -10.402 0.043 3.558 1.00 0.42 C ATOM 1349 O MET A 702 -11.116 0.853 2.962 1.00 0.48 O ATOM 1350 CB MET A 702 -9.616 -2.106 2.680 1.00 0.44 C ATOM 1351 CG MET A 702 -8.513 -2.951 2.100 1.00 0.56 C ATOM 1352 SD MET A 702 -8.807 -4.710 2.306 1.00 0.87 S ATOM 1353 CE MET A 702 -7.288 -5.343 1.610 1.00 1.08 C ATOM 0 H MET A 702 -7.597 -1.408 3.928 1.00 0.31 H new ATOM 0 HA MET A 702 -9.039 -0.173 1.905 1.00 0.36 H new ATOM 0 HB2 MET A 702 -9.910 -2.523 3.643 1.00 0.44 H new ATOM 0 HB3 MET A 702 -10.487 -2.166 2.027 1.00 0.44 H new ATOM 0 HG2 MET A 702 -8.408 -2.726 1.039 1.00 0.56 H new ATOM 0 HG3 MET A 702 -7.569 -2.686 2.577 1.00 0.56 H new ATOM 0 HE1 MET A 702 -7.262 -6.427 1.718 1.00 1.08 H new ATOM 0 HE2 MET A 702 -7.236 -5.083 0.553 1.00 1.08 H new ATOM 0 HE3 MET A 702 -6.438 -4.906 2.134 1.00 1.08 H new ATOM 1363 N ASP A 703 -10.567 -0.300 4.829 1.00 0.46 N ATOM 1364 CA ASP A 703 -11.638 0.243 5.655 1.00 0.59 C ATOM 1365 C ASP A 703 -11.591 1.768 5.668 1.00 0.64 C ATOM 1366 O ASP A 703 -12.626 2.439 5.663 1.00 0.77 O ATOM 1367 CB ASP A 703 -11.510 -0.308 7.079 1.00 0.66 C ATOM 1368 CG ASP A 703 -12.548 0.250 8.028 1.00 0.93 C ATOM 1369 OD1 ASP A 703 -13.707 -0.214 7.989 1.00 1.11 O ATOM 1370 OD2 ASP A 703 -12.202 1.145 8.829 1.00 1.06 O ATOM 0 H ASP A 703 -9.963 -0.962 5.316 1.00 0.46 H new ATOM 0 HA ASP A 703 -12.598 -0.059 5.236 1.00 0.59 H new ATOM 0 HB2 ASP A 703 -11.599 -1.394 7.051 1.00 0.66 H new ATOM 0 HB3 ASP A 703 -10.516 -0.079 7.463 1.00 0.66 H new ATOM 1375 N LYS A 704 -10.382 2.310 5.648 1.00 0.58 N ATOM 1376 CA LYS A 704 -10.197 3.748 5.695 1.00 0.66 C ATOM 1377 C LYS A 704 -10.486 4.390 4.341 1.00 0.66 C ATOM 1378 O LYS A 704 -10.986 5.512 4.281 1.00 0.76 O ATOM 1379 CB LYS A 704 -8.779 4.095 6.151 1.00 0.69 C ATOM 1380 CG LYS A 704 -8.566 5.586 6.333 1.00 1.15 C ATOM 1381 CD LYS A 704 -7.237 5.900 6.995 1.00 1.49 C ATOM 1382 CE LYS A 704 -7.152 7.373 7.363 1.00 2.15 C ATOM 1383 NZ LYS A 704 -8.250 7.769 8.287 1.00 2.95 N ATOM 0 H LYS A 704 -9.516 1.773 5.600 1.00 0.58 H new ATOM 0 HA LYS A 704 -10.907 4.148 6.418 1.00 0.66 H new ATOM 0 HB2 LYS A 704 -8.570 3.586 7.092 1.00 0.69 H new ATOM 0 HB3 LYS A 704 -8.065 3.718 5.419 1.00 0.69 H new ATOM 0 HG2 LYS A 704 -8.611 6.079 5.362 1.00 1.15 H new ATOM 0 HG3 LYS A 704 -9.376 5.996 6.936 1.00 1.15 H new ATOM 0 HD2 LYS A 704 -7.118 5.289 7.890 1.00 1.49 H new ATOM 0 HD3 LYS A 704 -6.420 5.641 6.322 1.00 1.49 H new ATOM 0 HE2 LYS A 704 -6.189 7.577 7.832 1.00 2.15 H new ATOM 0 HE3 LYS A 704 -7.201 7.979 6.458 1.00 2.15 H new ATOM 0 HZ1 LYS A 704 -7.863 8.352 9.057 1.00 2.95 H new ATOM 0 HZ2 LYS A 704 -8.964 8.316 7.764 1.00 2.95 H new ATOM 0 HZ3 LYS A 704 -8.692 6.917 8.687 1.00 2.95 H new ATOM 1397 N ILE A 705 -10.184 3.681 3.256 1.00 0.58 N ATOM 1398 CA ILE A 705 -10.402 4.223 1.921 1.00 0.64 C ATOM 1399 C ILE A 705 -11.890 4.241 1.591 1.00 0.70 C ATOM 1400 O ILE A 705 -12.386 5.157 0.928 1.00 0.83 O ATOM 1401 CB ILE A 705 -9.632 3.443 0.831 1.00 0.60 C ATOM 1402 CG1 ILE A 705 -8.147 3.347 1.182 1.00 0.60 C ATOM 1403 CG2 ILE A 705 -9.796 4.145 -0.511 1.00 0.68 C ATOM 1404 CD1 ILE A 705 -7.433 4.680 1.172 1.00 0.66 C ATOM 0 H ILE A 705 -9.792 2.740 3.275 1.00 0.58 H new ATOM 0 HA ILE A 705 -10.015 5.242 1.928 1.00 0.64 H new ATOM 0 HB ILE A 705 -10.040 2.434 0.771 1.00 0.60 H new ATOM 0 HG12 ILE A 705 -8.044 2.897 2.170 1.00 0.60 H new ATOM 0 HG13 ILE A 705 -7.658 2.677 0.474 1.00 0.60 H new ATOM 0 HG21 ILE A 705 -9.253 3.594 -1.279 1.00 0.68 H new ATOM 0 HG22 ILE A 705 -10.853 4.186 -0.773 1.00 0.68 H new ATOM 0 HG23 ILE A 705 -9.400 5.158 -0.442 1.00 0.68 H new ATOM 0 HD11 ILE A 705 -6.384 4.533 1.430 1.00 0.66 H new ATOM 0 HD12 ILE A 705 -7.503 5.123 0.179 1.00 0.66 H new ATOM 0 HD13 ILE A 705 -7.896 5.346 1.900 1.00 0.66 H new ATOM 1416 N ILE A 706 -12.608 3.231 2.072 1.00 0.67 N ATOM 1417 CA ILE A 706 -14.048 3.173 1.888 1.00 0.79 C ATOM 1418 C ILE A 706 -14.699 4.317 2.652 1.00 0.99 C ATOM 1419 O ILE A 706 -15.545 5.036 2.121 1.00 1.17 O ATOM 1420 CB ILE A 706 -14.630 1.827 2.368 1.00 0.83 C ATOM 1421 CG1 ILE A 706 -13.984 0.670 1.602 1.00 1.18 C ATOM 1422 CG2 ILE A 706 -16.144 1.807 2.189 1.00 1.43 C ATOM 1423 CD1 ILE A 706 -14.428 -0.693 2.081 1.00 1.75 C ATOM 0 H ILE A 706 -12.215 2.445 2.590 1.00 0.67 H new ATOM 0 HA ILE A 706 -14.259 3.265 0.823 1.00 0.79 H new ATOM 0 HB ILE A 706 -14.409 1.709 3.429 1.00 0.83 H new ATOM 0 HG12 ILE A 706 -14.221 0.769 0.543 1.00 1.18 H new ATOM 0 HG13 ILE A 706 -12.900 0.744 1.695 1.00 1.18 H new ATOM 0 HG21 ILE A 706 -16.538 0.851 2.532 1.00 1.43 H new ATOM 0 HG22 ILE A 706 -16.590 2.613 2.771 1.00 1.43 H new ATOM 0 HG23 ILE A 706 -16.388 1.943 1.135 1.00 1.43 H new ATOM 0 HD11 ILE A 706 -13.931 -1.465 1.494 1.00 1.75 H new ATOM 0 HD12 ILE A 706 -14.167 -0.812 3.132 1.00 1.75 H new ATOM 0 HD13 ILE A 706 -15.508 -0.786 1.963 1.00 1.75 H new ATOM 1435 N LEU A 707 -14.254 4.501 3.889 1.00 0.99 N ATOM 1436 CA LEU A 707 -14.748 5.580 4.738 1.00 1.22 C ATOM 1437 C LEU A 707 -14.371 6.938 4.149 1.00 1.39 C ATOM 1438 O LEU A 707 -15.108 7.910 4.285 1.00 1.62 O ATOM 1439 CB LEU A 707 -14.169 5.448 6.153 1.00 1.24 C ATOM 1440 CG LEU A 707 -14.640 6.499 7.163 1.00 1.44 C ATOM 1441 CD1 LEU A 707 -16.136 6.373 7.408 1.00 1.86 C ATOM 1442 CD2 LEU A 707 -13.866 6.368 8.467 1.00 1.79 C ATOM 0 H LEU A 707 -13.547 3.913 4.330 1.00 0.99 H new ATOM 0 HA LEU A 707 -15.834 5.508 4.789 1.00 1.22 H new ATOM 0 HB2 LEU A 707 -14.422 4.461 6.539 1.00 1.24 H new ATOM 0 HB3 LEU A 707 -13.082 5.495 6.087 1.00 1.24 H new ATOM 0 HG LEU A 707 -14.446 7.488 6.748 1.00 1.44 H new ATOM 0 HD11 LEU A 707 -16.452 7.128 8.128 1.00 1.86 H new ATOM 0 HD12 LEU A 707 -16.672 6.520 6.470 1.00 1.86 H new ATOM 0 HD13 LEU A 707 -16.358 5.381 7.801 1.00 1.86 H new ATOM 0 HD21 LEU A 707 -14.213 7.122 9.173 1.00 1.79 H new ATOM 0 HD22 LEU A 707 -14.027 5.375 8.888 1.00 1.79 H new ATOM 0 HD23 LEU A 707 -12.803 6.513 8.275 1.00 1.79 H new ATOM 1454 N LYS A 708 -13.222 6.983 3.484 1.00 1.36 N ATOM 1455 CA LYS A 708 -12.712 8.210 2.879 1.00 1.61 C ATOM 1456 C LYS A 708 -13.696 8.744 1.837 1.00 1.71 C ATOM 1457 O LYS A 708 -14.059 9.919 1.863 1.00 1.96 O ATOM 1458 CB LYS A 708 -11.338 7.928 2.245 1.00 1.69 C ATOM 1459 CG LYS A 708 -10.525 9.163 1.865 1.00 1.91 C ATOM 1460 CD LYS A 708 -11.022 9.817 0.585 1.00 2.31 C ATOM 1461 CE LYS A 708 -10.030 10.847 0.072 1.00 3.09 C ATOM 1462 NZ LYS A 708 -8.742 10.215 -0.320 1.00 3.45 N ATOM 0 H LYS A 708 -12.618 6.172 3.349 1.00 1.36 H new ATOM 0 HA LYS A 708 -12.599 8.974 3.648 1.00 1.61 H new ATOM 0 HB2 LYS A 708 -10.752 7.328 2.941 1.00 1.69 H new ATOM 0 HB3 LYS A 708 -11.487 7.323 1.351 1.00 1.69 H new ATOM 0 HG2 LYS A 708 -10.568 9.887 2.679 1.00 1.91 H new ATOM 0 HG3 LYS A 708 -9.479 8.882 1.743 1.00 1.91 H new ATOM 0 HD2 LYS A 708 -11.185 9.054 -0.177 1.00 2.31 H new ATOM 0 HD3 LYS A 708 -11.984 10.295 0.768 1.00 2.31 H new ATOM 0 HE2 LYS A 708 -10.456 11.369 -0.785 1.00 3.09 H new ATOM 0 HE3 LYS A 708 -9.849 11.596 0.843 1.00 3.09 H new ATOM 0 HZ1 LYS A 708 -8.500 10.495 -1.292 1.00 3.45 H new ATOM 0 HZ2 LYS A 708 -7.991 10.527 0.328 1.00 3.45 H new ATOM 0 HZ3 LYS A 708 -8.834 9.180 -0.270 1.00 3.45 H new ATOM 1476 N LYS A 709 -14.135 7.875 0.932 1.00 1.59 N ATOM 1477 CA LYS A 709 -15.052 8.283 -0.125 1.00 1.75 C ATOM 1478 C LYS A 709 -16.463 8.468 0.433 1.00 1.84 C ATOM 1479 O LYS A 709 -17.197 9.365 0.009 1.00 2.04 O ATOM 1480 CB LYS A 709 -15.039 7.263 -1.277 1.00 1.78 C ATOM 1481 CG LYS A 709 -15.757 7.743 -2.536 1.00 1.96 C ATOM 1482 CD LYS A 709 -17.226 7.344 -2.547 1.00 2.22 C ATOM 1483 CE LYS A 709 -17.409 5.872 -2.880 1.00 2.67 C ATOM 1484 NZ LYS A 709 -17.112 5.582 -4.309 1.00 2.96 N ATOM 0 H LYS A 709 -13.872 6.890 0.909 1.00 1.59 H new ATOM 0 HA LYS A 709 -14.719 9.241 -0.523 1.00 1.75 H new ATOM 0 HB2 LYS A 709 -14.005 7.026 -1.528 1.00 1.78 H new ATOM 0 HB3 LYS A 709 -15.504 6.338 -0.936 1.00 1.78 H new ATOM 0 HG2 LYS A 709 -15.676 8.828 -2.607 1.00 1.96 H new ATOM 0 HG3 LYS A 709 -15.263 7.328 -3.415 1.00 1.96 H new ATOM 0 HD2 LYS A 709 -17.667 7.554 -1.572 1.00 2.22 H new ATOM 0 HD3 LYS A 709 -17.762 7.951 -3.277 1.00 2.22 H new ATOM 0 HE2 LYS A 709 -16.756 5.273 -2.245 1.00 2.67 H new ATOM 0 HE3 LYS A 709 -18.433 5.574 -2.655 1.00 2.67 H new ATOM 0 HZ1 LYS A 709 -17.378 4.600 -4.527 1.00 2.96 H new ATOM 0 HZ2 LYS A 709 -17.655 6.230 -4.915 1.00 2.96 H new ATOM 0 HZ3 LYS A 709 -16.095 5.713 -4.486 1.00 2.96 H new ATOM 1498 N LYS A 710 -16.833 7.636 1.400 1.00 1.77 N ATOM 1499 CA LYS A 710 -18.146 7.744 2.030 1.00 1.96 C ATOM 1500 C LYS A 710 -18.255 9.017 2.862 1.00 2.10 C ATOM 1501 O LYS A 710 -19.351 9.488 3.137 1.00 2.31 O ATOM 1502 CB LYS A 710 -18.457 6.532 2.905 1.00 1.90 C ATOM 1503 CG LYS A 710 -18.649 5.241 2.124 1.00 2.40 C ATOM 1504 CD LYS A 710 -19.247 4.149 2.999 1.00 2.55 C ATOM 1505 CE LYS A 710 -20.665 4.498 3.424 1.00 3.16 C ATOM 1506 NZ LYS A 710 -21.220 3.509 4.382 1.00 3.66 N ATOM 0 H LYS A 710 -16.248 6.884 1.764 1.00 1.77 H new ATOM 0 HA LYS A 710 -18.878 7.783 1.223 1.00 1.96 H new ATOM 0 HB2 LYS A 710 -17.646 6.395 3.621 1.00 1.90 H new ATOM 0 HB3 LYS A 710 -19.360 6.734 3.481 1.00 1.90 H new ATOM 0 HG2 LYS A 710 -19.301 5.424 1.270 1.00 2.40 H new ATOM 0 HG3 LYS A 710 -17.690 4.908 1.727 1.00 2.40 H new ATOM 0 HD2 LYS A 710 -19.250 3.205 2.455 1.00 2.55 H new ATOM 0 HD3 LYS A 710 -18.625 4.006 3.882 1.00 2.55 H new ATOM 0 HE2 LYS A 710 -20.673 5.488 3.880 1.00 3.16 H new ATOM 0 HE3 LYS A 710 -21.305 4.548 2.543 1.00 3.16 H new ATOM 0 HZ1 LYS A 710 -22.187 3.786 4.645 1.00 3.66 H new ATOM 0 HZ2 LYS A 710 -21.237 2.568 3.939 1.00 3.66 H new ATOM 0 HZ3 LYS A 710 -20.625 3.479 5.234 1.00 3.66 H new ATOM 1520 N GLN A 711 -17.113 9.558 3.266 1.00 2.06 N ATOM 1521 CA GLN A 711 -17.072 10.795 4.038 1.00 2.30 C ATOM 1522 C GLN A 711 -17.729 11.935 3.254 1.00 2.41 C ATOM 1523 O GLN A 711 -18.349 12.833 3.830 1.00 2.60 O ATOM 1524 CB GLN A 711 -15.619 11.152 4.376 1.00 2.35 C ATOM 1525 CG GLN A 711 -15.474 12.133 5.526 1.00 2.85 C ATOM 1526 CD GLN A 711 -15.936 11.549 6.848 1.00 2.83 C ATOM 1527 OE1 GLN A 711 -17.102 11.669 7.220 1.00 3.24 O ATOM 1528 NE2 GLN A 711 -15.026 10.903 7.561 1.00 3.08 N ATOM 0 H GLN A 711 -16.196 9.157 3.070 1.00 2.06 H new ATOM 0 HA GLN A 711 -17.626 10.649 4.965 1.00 2.30 H new ATOM 0 HB2 GLN A 711 -15.079 10.238 4.622 1.00 2.35 H new ATOM 0 HB3 GLN A 711 -15.144 11.574 3.490 1.00 2.35 H new ATOM 0 HG2 GLN A 711 -14.431 12.437 5.611 1.00 2.85 H new ATOM 0 HG3 GLN A 711 -16.051 13.032 5.308 1.00 2.85 H new ATOM 0 HE21 GLN A 711 -14.069 10.826 7.217 1.00 3.08 H new ATOM 0 HE22 GLN A 711 -15.282 10.483 8.454 1.00 3.08 H new ATOM 1537 N LYS A 712 -17.608 11.875 1.934 1.00 2.33 N ATOM 1538 CA LYS A 712 -18.217 12.867 1.057 1.00 2.48 C ATOM 1539 C LYS A 712 -19.659 12.490 0.765 1.00 2.58 C ATOM 1540 O LYS A 712 -20.540 13.347 0.686 1.00 2.73 O ATOM 1541 CB LYS A 712 -17.440 12.974 -0.259 1.00 2.48 C ATOM 1542 CG LYS A 712 -16.312 13.997 -0.247 1.00 2.81 C ATOM 1543 CD LYS A 712 -15.272 13.706 0.824 1.00 3.09 C ATOM 1544 CE LYS A 712 -14.142 14.725 0.790 1.00 3.70 C ATOM 1545 NZ LYS A 712 -14.618 16.114 1.049 1.00 3.99 N ATOM 0 H LYS A 712 -17.090 11.145 1.445 1.00 2.33 H new ATOM 0 HA LYS A 712 -18.190 13.832 1.562 1.00 2.48 H new ATOM 0 HB2 LYS A 712 -17.024 11.996 -0.501 1.00 2.48 H new ATOM 0 HB3 LYS A 712 -18.137 13.230 -1.057 1.00 2.48 H new ATOM 0 HG2 LYS A 712 -15.829 14.011 -1.224 1.00 2.81 H new ATOM 0 HG3 LYS A 712 -16.729 14.991 -0.083 1.00 2.81 H new ATOM 0 HD2 LYS A 712 -15.745 13.717 1.806 1.00 3.09 H new ATOM 0 HD3 LYS A 712 -14.866 12.705 0.677 1.00 3.09 H new ATOM 0 HE2 LYS A 712 -13.392 14.456 1.534 1.00 3.70 H new ATOM 0 HE3 LYS A 712 -13.652 14.688 -0.183 1.00 3.70 H new ATOM 0 HZ1 LYS A 712 -13.800 16.739 1.200 1.00 3.99 H new ATOM 0 HZ2 LYS A 712 -15.165 16.452 0.232 1.00 3.99 H new ATOM 0 HZ3 LYS A 712 -15.221 16.122 1.896 1.00 3.99 H new ATOM 1559 N LYS A 713 -19.894 11.196 0.627 1.00 2.59 N ATOM 1560 CA LYS A 713 -21.211 10.690 0.272 1.00 2.82 C ATOM 1561 C LYS A 713 -22.008 10.293 1.508 1.00 2.96 C ATOM 1562 O LYS A 713 -22.907 9.454 1.437 1.00 3.27 O ATOM 1563 CB LYS A 713 -21.085 9.498 -0.676 1.00 2.96 C ATOM 1564 CG LYS A 713 -20.529 9.863 -2.045 1.00 2.84 C ATOM 1565 CD LYS A 713 -21.394 10.910 -2.734 1.00 3.24 C ATOM 1566 CE LYS A 713 -20.921 11.189 -4.154 1.00 3.92 C ATOM 1567 NZ LYS A 713 -21.753 12.228 -4.820 1.00 4.32 N ATOM 0 H LYS A 713 -19.186 10.473 0.756 1.00 2.59 H new ATOM 0 HA LYS A 713 -21.749 11.493 -0.232 1.00 2.82 H new ATOM 0 HB2 LYS A 713 -20.439 8.748 -0.219 1.00 2.96 H new ATOM 0 HB3 LYS A 713 -22.066 9.040 -0.802 1.00 2.96 H new ATOM 0 HG2 LYS A 713 -19.513 10.242 -1.938 1.00 2.84 H new ATOM 0 HG3 LYS A 713 -20.472 8.969 -2.667 1.00 2.84 H new ATOM 0 HD2 LYS A 713 -22.429 10.569 -2.756 1.00 3.24 H new ATOM 0 HD3 LYS A 713 -21.375 11.834 -2.156 1.00 3.24 H new ATOM 0 HE2 LYS A 713 -19.881 11.515 -4.133 1.00 3.92 H new ATOM 0 HE3 LYS A 713 -20.955 10.268 -4.736 1.00 3.92 H new ATOM 0 HZ1 LYS A 713 -21.400 12.390 -5.785 1.00 4.32 H new ATOM 0 HZ2 LYS A 713 -22.741 11.907 -4.863 1.00 4.32 H new ATOM 0 HZ3 LYS A 713 -21.700 13.114 -4.279 1.00 4.32 H new ATOM 1581 N ALA A 714 -21.678 10.897 2.640 1.00 2.93 N ATOM 1582 CA ALA A 714 -22.426 10.667 3.869 1.00 3.15 C ATOM 1583 C ALA A 714 -23.621 11.602 3.928 1.00 3.81 C ATOM 1584 O ALA A 714 -24.509 11.452 4.765 1.00 4.20 O ATOM 1585 CB ALA A 714 -21.535 10.863 5.086 1.00 3.12 C ATOM 0 H ALA A 714 -20.899 11.549 2.734 1.00 2.93 H new ATOM 0 HA ALA A 714 -22.782 9.637 3.874 1.00 3.15 H new ATOM 0 HB1 ALA A 714 -22.114 10.686 5.993 1.00 3.12 H new ATOM 0 HB2 ALA A 714 -20.702 10.161 5.044 1.00 3.12 H new ATOM 0 HB3 ALA A 714 -21.150 11.883 5.094 1.00 3.12 H new TER 1591 ALA A 714