USER MOD reduce.3.24.130724 H: found=0, std=0, add=818, rem=0, adj=27 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 695 LYS NZ :NH3+ -118:sc= -0.901 (180deg=-2.96!) USER MOD Set 1.2: A 699 ASN : amide:sc= -0.132 X(o=-1,f=-1.1) USER MOD Set 2.1: A 657 ASN : amide:sc= -1.85! C(o=1.6!,f=-12!) USER MOD Set 2.2: A 709 LYS NZ :NH3+ 144:sc= 3.43 (180deg=-0.21) USER MOD Set 3.1: A 647 ASN : amide:sc= -5.43! C(o=-20!,f=-28!) USER MOD Set 3.2: A 649 GLN :FLIP amide:sc= -4.62! C(o=-23!,f=-20!) USER MOD Set 3.3: A 702 MET CE :methyl -111:sc= -10.1! (180deg=-9.52!) USER MOD Set 4.1: A 646 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 650 SER OG : rot 150:sc= -0.0127 USER MOD Set 5.1: A 642 ASN : amide:sc= -0.0521 X(o=-0.052,f=0) USER MOD Set 5.2: A 645 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 623 SER OG : rot 180:sc= 0 USER MOD Single : A 624 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 625 SER OG : rot 180:sc= 0 USER MOD Single : A 626 GLN : amide:sc= -0.337 X(o=-0.34,f=0) USER MOD Single : A 630 HIS : no HD1:sc= -0.0741 X(o=-0.074,f=0) USER MOD Single : A 631 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 633 ASN :FLIP amide:sc= -0.519 F(o=-2.4,f=-0.52) USER MOD Single : A 634 LYS NZ :NH3+ -157:sc= -0.126 (180deg=-0.612) USER MOD Single : A 638 SER OG : rot 82:sc= 0.0428 USER MOD Single : A 651 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 652 GLN :FLIP amide:sc= -0.0483 F(o=-1.3!,f=-0.048) USER MOD Single : A 655 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 659 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 660 GLN :FLIP amide:sc= 0 F(o=-0.94,f=0) USER MOD Single : A 661 CYS SG : rot 67:sc= -3.73! USER MOD Single : A 663 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 667 LYS NZ :NH3+ 145:sc= 0.588 (180deg=0.402) USER MOD Single : A 670 THR OG1 : rot 117:sc= 1.98 USER MOD Single : A 671 THR OG1 : rot 72:sc= 1.15 USER MOD Single : A 672 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0145) 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=0.000458 USER MOD Single : A 679 SER OG : rot 180:sc= 0 USER MOD Single : A 687 THR OG1 : rot 180:sc= 0.0024 USER MOD Single : A 688 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 690 LYS NZ :NH3+ -169:sc= 1.12 (180deg=0.817) USER MOD Single : A 692 HIS : no HD1:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 693 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0146) USER MOD Single : A 700 SER OG : rot -32:sc= 0.853 USER MOD Single : A 701 TYR OH : rot 0:sc= -1.02 USER MOD Single : A 704 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0618) USER MOD Single : A 708 LYS NZ :NH3+ 162:sc= -0.144 (180deg=-0.596) USER MOD Single : A 710 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 711 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 712 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 713 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00808) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 622 21.284 13.806 -5.043 1.00 1.94 N ATOM 2 CA VAL A 622 20.714 12.500 -5.324 1.00 1.87 C ATOM 3 C VAL A 622 21.293 11.450 -4.377 1.00 1.27 C ATOM 4 O VAL A 622 22.056 10.574 -4.783 1.00 1.84 O ATOM 5 CB VAL A 622 20.950 12.075 -6.792 1.00 2.83 C ATOM 6 CG1 VAL A 622 20.168 10.810 -7.125 1.00 3.22 C ATOM 7 CG2 VAL A 622 20.569 13.199 -7.745 1.00 3.60 C ATOM 0 HA VAL A 622 19.638 12.573 -5.166 1.00 1.87 H new ATOM 0 HB VAL A 622 22.012 11.863 -6.913 1.00 2.83 H new ATOM 0 HG11 VAL A 622 20.351 10.532 -8.163 1.00 3.22 H new ATOM 0 HG12 VAL A 622 20.490 10.000 -6.470 1.00 3.22 H new ATOM 0 HG13 VAL A 622 19.103 10.992 -6.980 1.00 3.22 H new ATOM 0 HG21 VAL A 622 20.743 12.879 -8.773 1.00 3.60 H new ATOM 0 HG22 VAL A 622 19.515 13.445 -7.615 1.00 3.60 H new ATOM 0 HG23 VAL A 622 21.176 14.079 -7.531 1.00 3.60 H new ATOM 17 N SER A 623 20.951 11.575 -3.101 1.00 1.02 N ATOM 18 CA SER A 623 21.321 10.580 -2.106 1.00 1.18 C ATOM 19 C SER A 623 20.689 9.235 -2.460 1.00 1.02 C ATOM 20 O SER A 623 19.505 9.160 -2.804 1.00 0.92 O ATOM 21 CB SER A 623 20.857 11.037 -0.722 1.00 1.71 C ATOM 22 OG SER A 623 21.299 12.358 -0.450 1.00 2.21 O ATOM 0 H SER A 623 20.415 12.360 -2.731 1.00 1.02 H new ATOM 0 HA SER A 623 22.405 10.466 -2.094 1.00 1.18 H new ATOM 0 HB2 SER A 623 19.769 10.995 -0.666 1.00 1.71 H new ATOM 0 HB3 SER A 623 21.242 10.357 0.038 1.00 1.71 H new ATOM 0 HG SER A 623 20.989 12.630 0.439 1.00 2.21 H new ATOM 28 N GLN A 624 21.493 8.181 -2.368 1.00 1.06 N ATOM 29 CA GLN A 624 21.088 6.842 -2.784 1.00 1.00 C ATOM 30 C GLN A 624 19.896 6.338 -1.979 1.00 0.86 C ATOM 31 O GLN A 624 19.102 5.541 -2.477 1.00 0.81 O ATOM 32 CB GLN A 624 22.255 5.867 -2.644 1.00 1.20 C ATOM 33 CG GLN A 624 23.478 6.253 -3.459 1.00 1.55 C ATOM 34 CD GLN A 624 24.567 5.200 -3.401 1.00 1.93 C ATOM 35 OE1 GLN A 624 25.437 5.231 -2.528 1.00 2.38 O ATOM 36 NE2 GLN A 624 24.533 4.265 -4.337 1.00 2.65 N ATOM 0 H GLN A 624 22.444 8.230 -2.003 1.00 1.06 H new ATOM 0 HA GLN A 624 20.788 6.902 -3.830 1.00 1.00 H new ATOM 0 HB2 GLN A 624 22.537 5.800 -1.593 1.00 1.20 H new ATOM 0 HB3 GLN A 624 21.925 4.874 -2.949 1.00 1.20 H new ATOM 0 HG2 GLN A 624 23.185 6.411 -4.497 1.00 1.55 H new ATOM 0 HG3 GLN A 624 23.872 7.200 -3.091 1.00 1.55 H new ATOM 0 HE21 GLN A 624 23.796 4.275 -5.042 1.00 2.65 H new ATOM 0 HE22 GLN A 624 25.244 3.534 -4.354 1.00 2.65 H new ATOM 45 N SER A 625 19.782 6.802 -0.739 1.00 0.89 N ATOM 46 CA SER A 625 18.676 6.420 0.136 1.00 0.85 C ATOM 47 C SER A 625 17.321 6.772 -0.490 1.00 0.73 C ATOM 48 O SER A 625 16.321 6.106 -0.236 1.00 0.72 O ATOM 49 CB SER A 625 18.825 7.116 1.491 1.00 1.01 C ATOM 50 OG SER A 625 20.107 6.876 2.056 1.00 1.35 O ATOM 0 H SER A 625 20.447 7.448 -0.314 1.00 0.89 H new ATOM 0 HA SER A 625 18.709 5.339 0.275 1.00 0.85 H new ATOM 0 HB2 SER A 625 18.673 8.189 1.370 1.00 1.01 H new ATOM 0 HB3 SER A 625 18.052 6.760 2.172 1.00 1.01 H new ATOM 0 HG SER A 625 20.175 7.334 2.920 1.00 1.35 H new ATOM 56 N GLN A 626 17.298 7.805 -1.325 1.00 0.72 N ATOM 57 CA GLN A 626 16.059 8.242 -1.962 1.00 0.71 C ATOM 58 C GLN A 626 15.632 7.265 -3.052 1.00 0.60 C ATOM 59 O GLN A 626 14.445 7.115 -3.336 1.00 0.65 O ATOM 60 CB GLN A 626 16.223 9.642 -2.553 1.00 0.81 C ATOM 61 CG GLN A 626 16.533 10.708 -1.517 1.00 1.52 C ATOM 62 CD GLN A 626 16.686 12.082 -2.132 1.00 1.83 C ATOM 63 OE1 GLN A 626 15.720 12.834 -2.251 1.00 2.34 O ATOM 64 NE2 GLN A 626 17.902 12.409 -2.536 1.00 2.37 N ATOM 0 H GLN A 626 18.120 8.354 -1.577 1.00 0.72 H new ATOM 0 HA GLN A 626 15.282 8.270 -1.198 1.00 0.71 H new ATOM 0 HB2 GLN A 626 17.023 9.623 -3.293 1.00 0.81 H new ATOM 0 HB3 GLN A 626 15.308 9.914 -3.079 1.00 0.81 H new ATOM 0 HG2 GLN A 626 15.736 10.732 -0.774 1.00 1.52 H new ATOM 0 HG3 GLN A 626 17.451 10.444 -0.991 1.00 1.52 H new ATOM 0 HE21 GLN A 626 18.673 11.752 -2.416 1.00 2.37 H new ATOM 0 HE22 GLN A 626 18.069 13.318 -2.967 1.00 2.37 H new ATOM 73 N ARG A 627 16.608 6.588 -3.644 1.00 0.56 N ATOM 74 CA ARG A 627 16.343 5.634 -4.713 1.00 0.52 C ATOM 75 C ARG A 627 15.678 4.387 -4.158 1.00 0.40 C ATOM 76 O ARG A 627 15.060 3.621 -4.892 1.00 0.40 O ATOM 77 CB ARG A 627 17.628 5.225 -5.429 1.00 0.66 C ATOM 78 CG ARG A 627 18.303 6.332 -6.219 1.00 1.31 C ATOM 79 CD ARG A 627 19.502 5.781 -6.969 1.00 1.53 C ATOM 80 NE ARG A 627 20.221 6.799 -7.728 1.00 2.41 N ATOM 81 CZ ARG A 627 21.517 6.703 -8.029 1.00 2.91 C ATOM 82 NH1 ARG A 627 22.212 5.648 -7.618 1.00 2.66 N ATOM 83 NH2 ARG A 627 22.111 7.646 -8.750 1.00 4.02 N ATOM 0 H ARG A 627 17.594 6.683 -3.400 1.00 0.56 H new ATOM 0 HA ARG A 627 15.681 6.125 -5.426 1.00 0.52 H new ATOM 0 HB2 ARG A 627 18.333 4.845 -4.689 1.00 0.66 H new ATOM 0 HB3 ARG A 627 17.402 4.402 -6.106 1.00 0.66 H new ATOM 0 HG2 ARG A 627 17.595 6.771 -6.922 1.00 1.31 H new ATOM 0 HG3 ARG A 627 18.620 7.129 -5.546 1.00 1.31 H new ATOM 0 HD2 ARG A 627 20.185 5.316 -6.258 1.00 1.53 H new ATOM 0 HD3 ARG A 627 19.168 4.997 -7.649 1.00 1.53 H new ATOM 0 HE ARG A 627 19.709 7.623 -8.043 1.00 2.41 H new ATOM 0 HH11 ARG A 627 21.754 4.916 -7.075 1.00 2.66 H new ATOM 0 HH12 ARG A 627 23.203 5.570 -7.846 1.00 2.66 H new ATOM 0 HH21 ARG A 627 21.576 8.450 -9.078 1.00 4.02 H new ATOM 0 HH22 ARG A 627 23.102 7.566 -8.976 1.00 4.02 H new ATOM 97 N LEU A 628 15.837 4.181 -2.858 1.00 0.38 N ATOM 98 CA LEU A 628 15.356 2.972 -2.204 1.00 0.36 C ATOM 99 C LEU A 628 13.853 2.779 -2.406 1.00 0.27 C ATOM 100 O LEU A 628 13.382 1.645 -2.470 1.00 0.29 O ATOM 101 CB LEU A 628 15.698 2.999 -0.715 1.00 0.49 C ATOM 102 CG LEU A 628 15.544 1.661 0.005 1.00 0.62 C ATOM 103 CD1 LEU A 628 16.483 0.624 -0.596 1.00 1.13 C ATOM 104 CD2 LEU A 628 15.811 1.827 1.488 1.00 1.48 C ATOM 0 H LEU A 628 16.299 4.841 -2.232 1.00 0.38 H new ATOM 0 HA LEU A 628 15.860 2.124 -2.666 1.00 0.36 H new ATOM 0 HB2 LEU A 628 16.727 3.341 -0.600 1.00 0.49 H new ATOM 0 HB3 LEU A 628 15.061 3.735 -0.224 1.00 0.49 H new ATOM 0 HG LEU A 628 14.519 1.312 -0.124 1.00 0.62 H new ATOM 0 HD11 LEU A 628 16.361 -0.324 -0.072 1.00 1.13 H new ATOM 0 HD12 LEU A 628 16.247 0.488 -1.652 1.00 1.13 H new ATOM 0 HD13 LEU A 628 17.514 0.965 -0.495 1.00 1.13 H new ATOM 0 HD21 LEU A 628 15.697 0.865 1.988 1.00 1.48 H new ATOM 0 HD22 LEU A 628 16.826 2.195 1.636 1.00 1.48 H new ATOM 0 HD23 LEU A 628 15.102 2.540 1.908 1.00 1.48 H new ATOM 116 N GLU A 629 13.108 3.878 -2.537 1.00 0.29 N ATOM 117 CA GLU A 629 11.673 3.786 -2.798 1.00 0.34 C ATOM 118 C GLU A 629 11.419 3.091 -4.129 1.00 0.30 C ATOM 119 O GLU A 629 10.508 2.296 -4.248 1.00 0.33 O ATOM 120 CB GLU A 629 11.014 5.166 -2.805 1.00 0.50 C ATOM 121 CG GLU A 629 10.826 5.768 -1.426 1.00 0.68 C ATOM 122 CD GLU A 629 9.956 7.008 -1.458 1.00 0.94 C ATOM 123 OE1 GLU A 629 8.724 6.872 -1.606 1.00 1.24 O ATOM 124 OE2 GLU A 629 10.499 8.126 -1.326 1.00 1.03 O ATOM 0 H GLU A 629 13.469 4.829 -2.468 1.00 0.29 H new ATOM 0 HA GLU A 629 11.231 3.200 -1.992 1.00 0.34 H new ATOM 0 HB2 GLU A 629 11.620 5.844 -3.406 1.00 0.50 H new ATOM 0 HB3 GLU A 629 10.042 5.090 -3.293 1.00 0.50 H new ATOM 0 HG2 GLU A 629 10.375 5.027 -0.766 1.00 0.68 H new ATOM 0 HG3 GLU A 629 11.799 6.020 -1.005 1.00 0.68 H new ATOM 131 N HIS A 630 12.244 3.401 -5.114 1.00 0.29 N ATOM 132 CA HIS A 630 12.208 2.748 -6.423 1.00 0.35 C ATOM 133 C HIS A 630 12.356 1.226 -6.284 1.00 0.27 C ATOM 134 O HIS A 630 11.620 0.462 -6.913 1.00 0.28 O ATOM 135 CB HIS A 630 13.317 3.348 -7.310 1.00 0.47 C ATOM 136 CG HIS A 630 13.756 2.507 -8.476 1.00 1.05 C ATOM 137 ND1 HIS A 630 13.273 2.672 -9.753 1.00 1.52 N ATOM 138 CD2 HIS A 630 14.681 1.522 -8.552 1.00 1.71 C ATOM 139 CE1 HIS A 630 13.880 1.823 -10.563 1.00 2.20 C ATOM 140 NE2 HIS A 630 14.746 1.113 -9.861 1.00 2.35 N ATOM 0 H HIS A 630 12.965 4.118 -5.033 1.00 0.29 H new ATOM 0 HA HIS A 630 11.242 2.927 -6.894 1.00 0.35 H new ATOM 0 HB2 HIS A 630 12.970 4.309 -7.691 1.00 0.47 H new ATOM 0 HB3 HIS A 630 14.187 3.548 -6.684 1.00 0.47 H new ATOM 0 HD2 HIS A 630 15.263 1.129 -7.731 1.00 1.71 H new ATOM 0 HE1 HIS A 630 13.699 1.725 -11.623 1.00 2.20 H new ATOM 0 HE2 HIS A 630 15.358 0.385 -10.229 1.00 2.35 H new ATOM 149 N ASN A 631 13.298 0.789 -5.456 1.00 0.23 N ATOM 150 CA ASN A 631 13.489 -0.642 -5.217 1.00 0.21 C ATOM 151 C ASN A 631 12.315 -1.203 -4.435 1.00 0.15 C ATOM 152 O ASN A 631 11.855 -2.318 -4.689 1.00 0.17 O ATOM 153 CB ASN A 631 14.793 -0.910 -4.463 1.00 0.25 C ATOM 154 CG ASN A 631 16.017 -0.651 -5.316 1.00 0.35 C ATOM 155 OD1 ASN A 631 16.584 0.444 -5.299 1.00 0.59 O ATOM 156 ND2 ASN A 631 16.419 -1.651 -6.086 1.00 0.77 N ATOM 0 H ASN A 631 13.937 1.396 -4.942 1.00 0.23 H new ATOM 0 HA ASN A 631 13.548 -1.139 -6.185 1.00 0.21 H new ATOM 0 HB2 ASN A 631 14.832 -0.279 -3.575 1.00 0.25 H new ATOM 0 HB3 ASN A 631 14.805 -1.944 -4.120 1.00 0.25 H new ATOM 0 HD21 ASN A 631 17.227 -1.532 -6.696 1.00 0.77 H new ATOM 0 HD22 ASN A 631 15.920 -2.541 -6.068 1.00 0.77 H new ATOM 163 N TRP A 632 11.828 -0.413 -3.491 1.00 0.15 N ATOM 164 CA TRP A 632 10.668 -0.779 -2.700 1.00 0.16 C ATOM 165 C TRP A 632 9.423 -0.925 -3.571 1.00 0.20 C ATOM 166 O TRP A 632 8.579 -1.791 -3.327 1.00 0.23 O ATOM 167 CB TRP A 632 10.432 0.265 -1.617 1.00 0.21 C ATOM 168 CG TRP A 632 11.108 -0.073 -0.327 1.00 0.21 C ATOM 169 CD1 TRP A 632 12.202 0.527 0.230 1.00 0.24 C ATOM 170 CD2 TRP A 632 10.714 -1.103 0.570 1.00 0.21 C ATOM 171 NE1 TRP A 632 12.500 -0.073 1.432 1.00 0.25 N ATOM 172 CE2 TRP A 632 11.601 -1.078 1.659 1.00 0.23 C ATOM 173 CE3 TRP A 632 9.690 -2.047 0.554 1.00 0.24 C ATOM 174 CZ2 TRP A 632 11.489 -1.965 2.722 1.00 0.26 C ATOM 175 CZ3 TRP A 632 9.581 -2.923 1.607 1.00 0.29 C ATOM 176 CH2 TRP A 632 10.472 -2.878 2.675 1.00 0.29 C ATOM 0 H TRP A 632 12.225 0.496 -3.254 1.00 0.15 H new ATOM 0 HA TRP A 632 10.864 -1.745 -2.236 1.00 0.16 H new ATOM 0 HB2 TRP A 632 10.792 1.233 -1.967 1.00 0.21 H new ATOM 0 HB3 TRP A 632 9.361 0.367 -1.444 1.00 0.21 H new ATOM 0 HD1 TRP A 632 12.750 1.348 -0.207 1.00 0.24 H new ATOM 0 HE1 TRP A 632 13.266 0.189 2.052 1.00 0.25 H new ATOM 0 HE3 TRP A 632 8.994 -2.090 -0.271 1.00 0.24 H new ATOM 0 HZ2 TRP A 632 12.178 -1.935 3.553 1.00 0.26 H new ATOM 0 HZ3 TRP A 632 8.790 -3.659 1.606 1.00 0.29 H new ATOM 0 HH2 TRP A 632 10.358 -3.581 3.487 1.00 0.29 H new ATOM 187 N ASN A 633 9.317 -0.073 -4.584 1.00 0.22 N ATOM 188 CA ASN A 633 8.213 -0.130 -5.528 1.00 0.29 C ATOM 189 C ASN A 633 8.192 -1.477 -6.224 1.00 0.29 C ATOM 190 O ASN A 633 7.144 -2.109 -6.332 1.00 0.33 O ATOM 191 CB ASN A 633 8.307 0.984 -6.583 1.00 0.36 C ATOM 192 CG ASN A 633 8.184 2.393 -6.019 1.00 0.41 C ATOM 193 OD1 ASN A 633 7.538 2.539 -4.874 1.00 0.47 O flip ATOM 194 ND2 ASN A 633 8.692 3.352 -6.606 1.00 0.42 N flip ATOM 0 H ASN A 633 9.990 0.671 -4.771 1.00 0.22 H new ATOM 0 HA ASN A 633 7.292 0.012 -4.962 1.00 0.29 H new ATOM 0 HB2 ASN A 633 9.260 0.896 -7.104 1.00 0.36 H new ATOM 0 HB3 ASN A 633 7.523 0.833 -7.325 1.00 0.36 H new ATOM 0 HD21 ASN A 633 9.184 3.208 -7.488 1.00 0.42 H new ATOM 0 HD22 ASN A 633 8.620 4.289 -6.209 1.00 0.42 H new ATOM 201 N LYS A 634 9.362 -1.914 -6.683 1.00 0.30 N ATOM 202 CA LYS A 634 9.497 -3.215 -7.331 1.00 0.36 C ATOM 203 C LYS A 634 9.083 -4.344 -6.394 1.00 0.32 C ATOM 204 O LYS A 634 8.403 -5.283 -6.808 1.00 0.33 O ATOM 205 CB LYS A 634 10.934 -3.439 -7.804 1.00 0.46 C ATOM 206 CG LYS A 634 11.311 -2.620 -9.023 1.00 1.21 C ATOM 207 CD LYS A 634 12.695 -2.991 -9.533 1.00 1.61 C ATOM 208 CE LYS A 634 12.948 -2.415 -10.915 1.00 2.37 C ATOM 209 NZ LYS A 634 11.994 -2.955 -11.920 1.00 3.15 N ATOM 0 H LYS A 634 10.232 -1.385 -6.618 1.00 0.30 H new ATOM 0 HA LYS A 634 8.833 -3.220 -8.195 1.00 0.36 H new ATOM 0 HB2 LYS A 634 11.617 -3.197 -6.990 1.00 0.46 H new ATOM 0 HB3 LYS A 634 11.071 -4.496 -8.031 1.00 0.46 H new ATOM 0 HG2 LYS A 634 10.576 -2.779 -9.812 1.00 1.21 H new ATOM 0 HG3 LYS A 634 11.286 -1.559 -8.773 1.00 1.21 H new ATOM 0 HD2 LYS A 634 13.451 -2.623 -8.839 1.00 1.61 H new ATOM 0 HD3 LYS A 634 12.794 -4.076 -9.565 1.00 1.61 H new ATOM 0 HE2 LYS A 634 12.861 -1.329 -10.878 1.00 2.37 H new ATOM 0 HE3 LYS A 634 13.968 -2.643 -11.223 1.00 2.37 H new ATOM 0 HZ1 LYS A 634 12.406 -2.869 -12.871 1.00 3.15 H new ATOM 0 HZ2 LYS A 634 11.803 -3.956 -11.714 1.00 3.15 H new ATOM 0 HZ3 LYS A 634 11.105 -2.418 -11.878 1.00 3.15 H new ATOM 223 N PHE A 635 9.500 -4.250 -5.137 1.00 0.30 N ATOM 224 CA PHE A 635 9.160 -5.259 -4.140 1.00 0.30 C ATOM 225 C PHE A 635 7.651 -5.355 -3.930 1.00 0.27 C ATOM 226 O PHE A 635 7.062 -6.424 -4.092 1.00 0.27 O ATOM 227 CB PHE A 635 9.850 -4.952 -2.807 1.00 0.32 C ATOM 228 CG PHE A 635 9.373 -5.817 -1.672 1.00 0.32 C ATOM 229 CD1 PHE A 635 9.641 -7.175 -1.660 1.00 0.39 C ATOM 230 CD2 PHE A 635 8.666 -5.270 -0.615 1.00 0.33 C ATOM 231 CE1 PHE A 635 9.214 -7.973 -0.618 1.00 0.42 C ATOM 232 CE2 PHE A 635 8.238 -6.064 0.432 1.00 0.35 C ATOM 233 CZ PHE A 635 8.472 -7.409 0.421 1.00 0.37 C ATOM 0 H PHE A 635 10.075 -3.485 -4.783 1.00 0.30 H new ATOM 0 HA PHE A 635 9.513 -6.219 -4.515 1.00 0.30 H new ATOM 0 HB2 PHE A 635 10.926 -5.082 -2.925 1.00 0.32 H new ATOM 0 HB3 PHE A 635 9.681 -3.906 -2.552 1.00 0.32 H new ATOM 0 HD1 PHE A 635 10.192 -7.616 -2.477 1.00 0.39 H new ATOM 0 HD2 PHE A 635 8.447 -4.213 -0.609 1.00 0.33 H new ATOM 0 HE1 PHE A 635 9.452 -9.026 -0.607 1.00 0.42 H new ATOM 0 HE2 PHE A 635 7.715 -5.617 1.265 1.00 0.35 H new ATOM 0 HZ PHE A 635 8.085 -8.034 1.212 1.00 0.37 H new ATOM 243 N PHE A 636 7.024 -4.239 -3.587 1.00 0.26 N ATOM 244 CA PHE A 636 5.606 -4.239 -3.277 1.00 0.26 C ATOM 245 C PHE A 636 4.773 -4.557 -4.518 1.00 0.24 C ATOM 246 O PHE A 636 3.722 -5.189 -4.421 1.00 0.25 O ATOM 247 CB PHE A 636 5.188 -2.906 -2.632 1.00 0.28 C ATOM 248 CG PHE A 636 5.501 -2.847 -1.155 1.00 0.28 C ATOM 249 CD1 PHE A 636 5.149 -3.872 -0.277 1.00 0.37 C ATOM 250 CD2 PHE A 636 6.144 -1.741 -0.641 1.00 0.31 C ATOM 251 CE1 PHE A 636 5.439 -3.773 1.065 1.00 0.39 C ATOM 252 CE2 PHE A 636 6.435 -1.644 0.699 1.00 0.35 C ATOM 253 CZ PHE A 636 6.073 -2.822 1.560 1.00 0.36 C ATOM 0 H PHE A 636 7.475 -3.327 -3.517 1.00 0.26 H new ATOM 0 HA PHE A 636 5.414 -5.028 -2.550 1.00 0.26 H new ATOM 0 HB2 PHE A 636 5.697 -2.087 -3.140 1.00 0.28 H new ATOM 0 HB3 PHE A 636 4.118 -2.756 -2.778 1.00 0.28 H new ATOM 0 HD1 PHE A 636 4.645 -4.750 -0.653 1.00 0.37 H new ATOM 0 HD2 PHE A 636 6.424 -0.936 -1.304 1.00 0.31 H new ATOM 0 HE1 PHE A 636 5.100 -4.560 1.722 1.00 0.39 H new ATOM 0 HE2 PHE A 636 6.902 -0.763 1.114 1.00 0.35 H new ATOM 0 HZ PHE A 636 6.361 -2.844 2.601 1.00 0.36 H new ATOM 263 N ALA A 637 5.275 -4.175 -5.688 1.00 0.26 N ATOM 264 CA ALA A 637 4.575 -4.422 -6.951 1.00 0.26 C ATOM 265 C ALA A 637 4.430 -5.916 -7.242 1.00 0.24 C ATOM 266 O ALA A 637 3.565 -6.318 -8.012 1.00 0.26 O ATOM 267 CB ALA A 637 5.290 -3.738 -8.108 1.00 0.31 C ATOM 0 H ALA A 637 6.167 -3.691 -5.791 1.00 0.26 H new ATOM 0 HA ALA A 637 3.575 -4.001 -6.848 1.00 0.26 H new ATOM 0 HB1 ALA A 637 4.752 -3.935 -9.036 1.00 0.31 H new ATOM 0 HB2 ALA A 637 5.324 -2.663 -7.930 1.00 0.31 H new ATOM 0 HB3 ALA A 637 6.306 -4.125 -8.188 1.00 0.31 H new ATOM 273 N SER A 638 5.287 -6.732 -6.645 1.00 0.23 N ATOM 274 CA SER A 638 5.256 -8.167 -6.890 1.00 0.25 C ATOM 275 C SER A 638 3.967 -8.809 -6.372 1.00 0.23 C ATOM 276 O SER A 638 3.379 -9.657 -7.044 1.00 0.28 O ATOM 277 CB SER A 638 6.470 -8.835 -6.247 1.00 0.28 C ATOM 278 OG SER A 638 7.675 -8.240 -6.700 1.00 0.96 O ATOM 0 H SER A 638 6.008 -6.428 -5.991 1.00 0.23 H new ATOM 0 HA SER A 638 5.287 -8.317 -7.969 1.00 0.25 H new ATOM 0 HB2 SER A 638 6.404 -8.751 -5.162 1.00 0.28 H new ATOM 0 HB3 SER A 638 6.473 -9.899 -6.485 1.00 0.28 H new ATOM 0 HG SER A 638 7.844 -7.418 -6.194 1.00 0.96 H new ATOM 284 N PHE A 639 3.523 -8.420 -5.183 1.00 0.21 N ATOM 285 CA PHE A 639 2.348 -9.050 -4.588 1.00 0.23 C ATOM 286 C PHE A 639 1.142 -8.121 -4.506 1.00 0.22 C ATOM 287 O PHE A 639 0.008 -8.587 -4.568 1.00 0.25 O ATOM 288 CB PHE A 639 2.669 -9.616 -3.206 1.00 0.26 C ATOM 289 CG PHE A 639 3.350 -8.656 -2.272 1.00 0.25 C ATOM 290 CD1 PHE A 639 2.617 -7.793 -1.466 1.00 0.24 C ATOM 291 CD2 PHE A 639 4.730 -8.645 -2.177 1.00 0.28 C ATOM 292 CE1 PHE A 639 3.255 -6.945 -0.588 1.00 0.27 C ATOM 293 CE2 PHE A 639 5.370 -7.795 -1.305 1.00 0.32 C ATOM 294 CZ PHE A 639 4.632 -6.948 -0.507 1.00 0.27 C ATOM 0 H PHE A 639 3.949 -7.685 -4.619 1.00 0.21 H new ATOM 0 HA PHE A 639 2.076 -9.865 -5.258 1.00 0.23 H new ATOM 0 HB2 PHE A 639 1.742 -9.954 -2.744 1.00 0.26 H new ATOM 0 HB3 PHE A 639 3.303 -10.494 -3.327 1.00 0.26 H new ATOM 0 HD1 PHE A 639 1.539 -7.787 -1.529 1.00 0.24 H new ATOM 0 HD2 PHE A 639 5.312 -9.312 -2.795 1.00 0.28 H new ATOM 0 HE1 PHE A 639 2.678 -6.279 0.036 1.00 0.27 H new ATOM 0 HE2 PHE A 639 6.448 -7.792 -1.246 1.00 0.32 H new ATOM 0 HZ PHE A 639 5.133 -6.285 0.183 1.00 0.27 H new ATOM 304 N VAL A 640 1.382 -6.819 -4.373 1.00 0.22 N ATOM 305 CA VAL A 640 0.300 -5.853 -4.159 1.00 0.24 C ATOM 306 C VAL A 640 -0.849 -6.002 -5.174 1.00 0.21 C ATOM 307 O VAL A 640 -1.997 -6.173 -4.765 1.00 0.24 O ATOM 308 CB VAL A 640 0.835 -4.397 -4.146 1.00 0.29 C ATOM 309 CG1 VAL A 640 -0.249 -3.399 -4.529 1.00 0.34 C ATOM 310 CG2 VAL A 640 1.387 -4.059 -2.768 1.00 0.34 C ATOM 0 H VAL A 640 2.314 -6.406 -4.409 1.00 0.22 H new ATOM 0 HA VAL A 640 -0.115 -6.079 -3.177 1.00 0.24 H new ATOM 0 HB VAL A 640 1.632 -4.327 -4.886 1.00 0.29 H new ATOM 0 HG11 VAL A 640 0.162 -2.390 -4.509 1.00 0.34 H new ATOM 0 HG12 VAL A 640 -0.612 -3.623 -5.532 1.00 0.34 H new ATOM 0 HG13 VAL A 640 -1.074 -3.469 -3.820 1.00 0.34 H new ATOM 0 HG21 VAL A 640 1.761 -3.035 -2.767 1.00 0.34 H new ATOM 0 HG22 VAL A 640 0.596 -4.157 -2.025 1.00 0.34 H new ATOM 0 HG23 VAL A 640 2.200 -4.742 -2.524 1.00 0.34 H new ATOM 320 N PRO A 641 -0.583 -5.969 -6.498 1.00 0.22 N ATOM 321 CA PRO A 641 -1.647 -6.108 -7.498 1.00 0.27 C ATOM 322 C PRO A 641 -2.320 -7.477 -7.448 1.00 0.30 C ATOM 323 O PRO A 641 -3.493 -7.608 -7.785 1.00 0.42 O ATOM 324 CB PRO A 641 -0.928 -5.911 -8.835 1.00 0.36 C ATOM 325 CG PRO A 641 0.502 -6.198 -8.547 1.00 0.56 C ATOM 326 CD PRO A 641 0.734 -5.765 -7.129 1.00 0.24 C ATOM 0 HA PRO A 641 -2.450 -5.391 -7.329 1.00 0.27 H new ATOM 0 HB2 PRO A 641 -1.320 -6.584 -9.597 1.00 0.36 H new ATOM 0 HB3 PRO A 641 -1.060 -4.895 -9.208 1.00 0.36 H new ATOM 0 HG2 PRO A 641 0.720 -7.259 -8.671 1.00 0.56 H new ATOM 0 HG3 PRO A 641 1.154 -5.656 -9.232 1.00 0.56 H new ATOM 0 HD2 PRO A 641 1.509 -6.361 -6.647 1.00 0.24 H new ATOM 0 HD3 PRO A 641 1.051 -4.724 -7.072 1.00 0.24 H new ATOM 334 N ASN A 642 -1.577 -8.489 -7.012 1.00 0.30 N ATOM 335 CA ASN A 642 -2.092 -9.855 -6.967 1.00 0.37 C ATOM 336 C ASN A 642 -3.048 -10.052 -5.799 1.00 0.33 C ATOM 337 O ASN A 642 -4.033 -10.780 -5.915 1.00 0.38 O ATOM 338 CB ASN A 642 -0.944 -10.861 -6.888 1.00 0.49 C ATOM 339 CG ASN A 642 -0.173 -10.945 -8.189 1.00 0.98 C ATOM 340 OD1 ASN A 642 -0.498 -11.743 -9.069 1.00 1.70 O ATOM 341 ND2 ASN A 642 0.848 -10.114 -8.328 1.00 0.95 N ATOM 0 H ASN A 642 -0.616 -8.390 -6.685 1.00 0.30 H new ATOM 0 HA ASN A 642 -2.648 -10.028 -7.888 1.00 0.37 H new ATOM 0 HB2 ASN A 642 -0.267 -10.576 -6.083 1.00 0.49 H new ATOM 0 HB3 ASN A 642 -1.341 -11.845 -6.637 1.00 0.49 H new ATOM 0 HD21 ASN A 642 1.397 -10.120 -9.188 1.00 0.95 H new ATOM 0 HD22 ASN A 642 1.086 -9.468 -7.576 1.00 0.95 H new ATOM 348 N LEU A 643 -2.759 -9.408 -4.673 1.00 0.29 N ATOM 349 CA LEU A 643 -3.640 -9.480 -3.510 1.00 0.31 C ATOM 350 C LEU A 643 -4.953 -8.761 -3.800 1.00 0.28 C ATOM 351 O LEU A 643 -6.025 -9.360 -3.731 1.00 0.33 O ATOM 352 CB LEU A 643 -2.959 -8.888 -2.257 1.00 0.33 C ATOM 353 CG LEU A 643 -2.127 -9.873 -1.424 1.00 0.57 C ATOM 354 CD1 LEU A 643 -0.989 -10.464 -2.239 1.00 1.37 C ATOM 355 CD2 LEU A 643 -1.587 -9.188 -0.175 1.00 1.24 C ATOM 0 H LEU A 643 -1.927 -8.833 -4.540 1.00 0.29 H new ATOM 0 HA LEU A 643 -3.852 -10.530 -3.307 1.00 0.31 H new ATOM 0 HB2 LEU A 643 -2.312 -8.069 -2.570 1.00 0.33 H new ATOM 0 HB3 LEU A 643 -3.729 -8.459 -1.616 1.00 0.33 H new ATOM 0 HG LEU A 643 -2.781 -10.691 -1.122 1.00 0.57 H new ATOM 0 HD11 LEU A 643 -0.420 -11.157 -1.620 1.00 1.37 H new ATOM 0 HD12 LEU A 643 -1.395 -10.996 -3.099 1.00 1.37 H new ATOM 0 HD13 LEU A 643 -0.334 -9.664 -2.584 1.00 1.37 H new ATOM 0 HD21 LEU A 643 -0.999 -9.900 0.405 1.00 1.24 H new ATOM 0 HD22 LEU A 643 -0.956 -8.348 -0.465 1.00 1.24 H new ATOM 0 HD23 LEU A 643 -2.418 -8.826 0.430 1.00 1.24 H new ATOM 367 N ILE A 644 -4.853 -7.496 -4.189 1.00 0.26 N ATOM 368 CA ILE A 644 -6.031 -6.659 -4.428 1.00 0.29 C ATOM 369 C ILE A 644 -6.828 -7.157 -5.629 1.00 0.36 C ATOM 370 O ILE A 644 -8.017 -6.868 -5.755 1.00 0.47 O ATOM 371 CB ILE A 644 -5.655 -5.183 -4.647 1.00 0.33 C ATOM 372 CG1 ILE A 644 -4.604 -4.752 -3.632 1.00 0.51 C ATOM 373 CG2 ILE A 644 -6.885 -4.292 -4.524 1.00 0.41 C ATOM 374 CD1 ILE A 644 -4.118 -3.334 -3.829 1.00 0.67 C ATOM 0 H ILE A 644 -3.964 -7.021 -4.348 1.00 0.26 H new ATOM 0 HA ILE A 644 -6.646 -6.731 -3.531 1.00 0.29 H new ATOM 0 HB ILE A 644 -5.246 -5.080 -5.652 1.00 0.33 H new ATOM 0 HG12 ILE A 644 -5.019 -4.849 -2.629 1.00 0.51 H new ATOM 0 HG13 ILE A 644 -3.753 -5.431 -3.692 1.00 0.51 H new ATOM 0 HG21 ILE A 644 -6.598 -3.252 -4.682 1.00 0.41 H new ATOM 0 HG22 ILE A 644 -7.622 -4.583 -5.273 1.00 0.41 H new ATOM 0 HG23 ILE A 644 -7.316 -4.402 -3.529 1.00 0.41 H new ATOM 0 HD11 ILE A 644 -3.372 -3.097 -3.071 1.00 0.67 H new ATOM 0 HD12 ILE A 644 -3.673 -3.236 -4.819 1.00 0.67 H new ATOM 0 HD13 ILE A 644 -4.958 -2.646 -3.739 1.00 0.67 H new ATOM 386 N LYS A 645 -6.151 -7.875 -6.522 1.00 0.42 N ATOM 387 CA LYS A 645 -6.783 -8.489 -7.690 1.00 0.60 C ATOM 388 C LYS A 645 -8.097 -9.162 -7.306 1.00 0.68 C ATOM 389 O LYS A 645 -9.107 -9.017 -7.997 1.00 0.81 O ATOM 390 CB LYS A 645 -5.826 -9.518 -8.298 1.00 0.73 C ATOM 391 CG LYS A 645 -6.451 -10.430 -9.342 1.00 1.14 C ATOM 392 CD LYS A 645 -5.471 -11.503 -9.790 1.00 1.61 C ATOM 393 CE LYS A 645 -4.934 -12.298 -8.606 1.00 2.44 C ATOM 394 NZ LYS A 645 -4.009 -13.383 -9.028 1.00 3.24 N ATOM 0 H LYS A 645 -5.148 -8.048 -6.457 1.00 0.42 H new ATOM 0 HA LYS A 645 -7.002 -7.712 -8.422 1.00 0.60 H new ATOM 0 HB2 LYS A 645 -4.988 -8.990 -8.752 1.00 0.73 H new ATOM 0 HB3 LYS A 645 -5.418 -10.133 -7.496 1.00 0.73 H new ATOM 0 HG2 LYS A 645 -7.345 -10.899 -8.931 1.00 1.14 H new ATOM 0 HG3 LYS A 645 -6.767 -9.840 -10.202 1.00 1.14 H new ATOM 0 HD2 LYS A 645 -5.964 -12.178 -10.490 1.00 1.61 H new ATOM 0 HD3 LYS A 645 -4.642 -11.040 -10.325 1.00 1.61 H new ATOM 0 HE2 LYS A 645 -4.414 -11.625 -7.925 1.00 2.44 H new ATOM 0 HE3 LYS A 645 -5.768 -12.729 -8.053 1.00 2.44 H new ATOM 0 HZ1 LYS A 645 -3.670 -13.896 -8.189 1.00 3.24 H new ATOM 0 HZ2 LYS A 645 -4.511 -14.042 -9.657 1.00 3.24 H new ATOM 0 HZ3 LYS A 645 -3.199 -12.971 -9.533 1.00 3.24 H new ATOM 408 N LYS A 646 -8.081 -9.868 -6.184 1.00 0.65 N ATOM 409 CA LYS A 646 -9.278 -10.492 -5.651 1.00 0.80 C ATOM 410 C LYS A 646 -9.037 -10.887 -4.202 1.00 0.82 C ATOM 411 O LYS A 646 -8.628 -12.012 -3.906 1.00 0.97 O ATOM 412 CB LYS A 646 -9.686 -11.709 -6.489 1.00 0.99 C ATOM 413 CG LYS A 646 -11.095 -12.209 -6.194 1.00 1.22 C ATOM 414 CD LYS A 646 -12.139 -11.116 -6.407 1.00 1.85 C ATOM 415 CE LYS A 646 -12.081 -10.554 -7.818 1.00 2.19 C ATOM 416 NZ LYS A 646 -13.078 -9.472 -8.041 1.00 2.88 N ATOM 0 H LYS A 646 -7.243 -10.022 -5.623 1.00 0.65 H new ATOM 0 HA LYS A 646 -10.100 -9.777 -5.695 1.00 0.80 H new ATOM 0 HB2 LYS A 646 -9.615 -11.452 -7.546 1.00 0.99 H new ATOM 0 HB3 LYS A 646 -8.978 -12.518 -6.309 1.00 0.99 H new ATOM 0 HG2 LYS A 646 -11.322 -13.059 -6.838 1.00 1.22 H new ATOM 0 HG3 LYS A 646 -11.146 -12.566 -5.165 1.00 1.22 H new ATOM 0 HD2 LYS A 646 -13.133 -11.520 -6.216 1.00 1.85 H new ATOM 0 HD3 LYS A 646 -11.978 -10.313 -5.688 1.00 1.85 H new ATOM 0 HE2 LYS A 646 -11.080 -10.167 -8.011 1.00 2.19 H new ATOM 0 HE3 LYS A 646 -12.255 -11.358 -8.533 1.00 2.19 H new ATOM 0 HZ1 LYS A 646 -12.998 -9.122 -9.017 1.00 2.88 H new ATOM 0 HZ2 LYS A 646 -14.036 -9.845 -7.884 1.00 2.88 H new ATOM 0 HZ3 LYS A 646 -12.897 -8.691 -7.378 1.00 2.88 H new ATOM 430 N ASN A 647 -9.254 -9.937 -3.308 1.00 0.74 N ATOM 431 CA ASN A 647 -9.043 -10.159 -1.885 1.00 0.85 C ATOM 432 C ASN A 647 -10.299 -9.695 -1.155 1.00 0.79 C ATOM 433 O ASN A 647 -11.165 -9.105 -1.799 1.00 0.68 O ATOM 434 CB ASN A 647 -7.789 -9.364 -1.463 1.00 0.92 C ATOM 435 CG ASN A 647 -7.342 -9.558 -0.028 1.00 1.47 C ATOM 436 OD1 ASN A 647 -7.720 -8.793 0.858 1.00 2.38 O ATOM 437 ND2 ASN A 647 -6.538 -10.579 0.211 1.00 1.39 N ATOM 0 H ASN A 647 -9.578 -8.999 -3.543 1.00 0.74 H new ATOM 0 HA ASN A 647 -8.874 -11.208 -1.642 1.00 0.85 H new ATOM 0 HB2 ASN A 647 -6.966 -9.642 -2.122 1.00 0.92 H new ATOM 0 HB3 ASN A 647 -7.982 -8.303 -1.624 1.00 0.92 H new ATOM 0 HD21 ASN A 647 -6.207 -10.757 1.159 1.00 1.39 H new ATOM 0 HD22 ASN A 647 -6.248 -11.190 -0.553 1.00 1.39 H new ATOM 444 N PRO A 648 -10.480 -9.974 0.149 1.00 0.89 N ATOM 445 CA PRO A 648 -11.535 -9.333 0.926 1.00 0.90 C ATOM 446 C PRO A 648 -11.600 -7.821 0.677 1.00 0.81 C ATOM 447 O PRO A 648 -12.667 -7.221 0.780 1.00 0.82 O ATOM 448 CB PRO A 648 -11.154 -9.625 2.386 1.00 1.08 C ATOM 449 CG PRO A 648 -9.956 -10.529 2.344 1.00 1.30 C ATOM 450 CD PRO A 648 -9.814 -11.018 0.928 1.00 1.04 C ATOM 0 HA PRO A 648 -12.521 -9.711 0.655 1.00 0.90 H new ATOM 0 HB2 PRO A 648 -10.924 -8.702 2.919 1.00 1.08 H new ATOM 0 HB3 PRO A 648 -11.980 -10.101 2.914 1.00 1.08 H new ATOM 0 HG2 PRO A 648 -9.060 -9.994 2.657 1.00 1.30 H new ATOM 0 HG3 PRO A 648 -10.083 -11.367 3.029 1.00 1.30 H new ATOM 0 HD2 PRO A 648 -8.768 -11.129 0.643 1.00 1.04 H new ATOM 0 HD3 PRO A 648 -10.287 -11.990 0.788 1.00 1.04 H new ATOM 458 N GLN A 649 -10.467 -7.208 0.317 1.00 0.80 N ATOM 459 CA GLN A 649 -10.475 -5.818 -0.109 1.00 0.82 C ATOM 460 C GLN A 649 -11.233 -5.668 -1.414 1.00 0.68 C ATOM 461 O GLN A 649 -12.140 -4.870 -1.513 1.00 0.71 O ATOM 462 CB GLN A 649 -9.054 -5.290 -0.280 1.00 1.02 C ATOM 463 CG GLN A 649 -8.165 -6.156 -1.153 1.00 0.92 C ATOM 464 CD GLN A 649 -6.715 -5.724 -1.132 1.00 1.44 C ATOM 465 OE1 GLN A 649 -6.480 -4.430 -0.998 1.00 2.04 O flip ATOM 466 NE2 GLN A 649 -5.813 -6.547 -1.246 1.00 1.83 N flip ATOM 0 H GLN A 649 -9.548 -7.651 0.314 1.00 0.80 H new ATOM 0 HA GLN A 649 -10.973 -5.235 0.666 1.00 0.82 H new ATOM 0 HB2 GLN A 649 -9.100 -4.289 -0.709 1.00 1.02 H new ATOM 0 HB3 GLN A 649 -8.594 -5.194 0.704 1.00 1.02 H new ATOM 0 HG2 GLN A 649 -8.235 -7.191 -0.819 1.00 0.92 H new ATOM 0 HG3 GLN A 649 -8.532 -6.126 -2.179 1.00 0.92 H new ATOM 0 HE21 GLN A 649 -6.036 -7.537 -1.347 1.00 1.83 H new ATOM 0 HE22 GLN A 649 -4.840 -6.241 -1.239 1.00 1.83 H new ATOM 475 N SER A 650 -10.871 -6.483 -2.389 1.00 0.63 N ATOM 476 CA SER A 650 -11.403 -6.384 -3.738 1.00 0.61 C ATOM 477 C SER A 650 -12.915 -6.596 -3.771 1.00 0.63 C ATOM 478 O SER A 650 -13.617 -5.974 -4.566 1.00 0.67 O ATOM 479 CB SER A 650 -10.696 -7.405 -4.622 1.00 0.70 C ATOM 480 OG SER A 650 -11.352 -7.581 -5.866 1.00 1.56 O ATOM 0 H SER A 650 -10.195 -7.237 -2.267 1.00 0.63 H new ATOM 0 HA SER A 650 -11.219 -5.377 -4.113 1.00 0.61 H new ATOM 0 HB2 SER A 650 -9.669 -7.083 -4.797 1.00 0.70 H new ATOM 0 HB3 SER A 650 -10.646 -8.361 -4.101 1.00 0.70 H new ATOM 0 HG SER A 650 -10.694 -7.821 -6.552 1.00 1.56 H new ATOM 486 N LYS A 651 -13.408 -7.469 -2.901 1.00 0.66 N ATOM 487 CA LYS A 651 -14.837 -7.741 -2.819 1.00 0.74 C ATOM 488 C LYS A 651 -15.593 -6.504 -2.335 1.00 0.72 C ATOM 489 O LYS A 651 -16.769 -6.309 -2.653 1.00 0.78 O ATOM 490 CB LYS A 651 -15.085 -8.927 -1.876 1.00 0.87 C ATOM 491 CG LYS A 651 -16.556 -9.231 -1.619 1.00 1.53 C ATOM 492 CD LYS A 651 -17.304 -9.565 -2.900 1.00 1.63 C ATOM 493 CE LYS A 651 -18.769 -9.861 -2.622 1.00 2.38 C ATOM 494 NZ LYS A 651 -19.537 -10.081 -3.875 1.00 3.08 N ATOM 0 H LYS A 651 -12.839 -8.001 -2.242 1.00 0.66 H new ATOM 0 HA LYS A 651 -15.206 -7.995 -3.813 1.00 0.74 H new ATOM 0 HB2 LYS A 651 -14.611 -9.814 -2.296 1.00 0.87 H new ATOM 0 HB3 LYS A 651 -14.596 -8.726 -0.923 1.00 0.87 H new ATOM 0 HG2 LYS A 651 -16.637 -10.067 -0.924 1.00 1.53 H new ATOM 0 HG3 LYS A 651 -17.025 -8.372 -1.140 1.00 1.53 H new ATOM 0 HD2 LYS A 651 -17.225 -8.731 -3.598 1.00 1.63 H new ATOM 0 HD3 LYS A 651 -16.841 -10.427 -3.380 1.00 1.63 H new ATOM 0 HE2 LYS A 651 -18.847 -10.745 -1.988 1.00 2.38 H new ATOM 0 HE3 LYS A 651 -19.208 -9.032 -2.068 1.00 2.38 H new ATOM 0 HZ1 LYS A 651 -20.531 -10.280 -3.643 1.00 3.08 H new ATOM 0 HZ2 LYS A 651 -19.484 -9.229 -4.469 1.00 3.08 H new ATOM 0 HZ3 LYS A 651 -19.134 -10.889 -4.392 1.00 3.08 H new ATOM 508 N GLN A 652 -14.901 -5.653 -1.592 1.00 0.69 N ATOM 509 CA GLN A 652 -15.527 -4.507 -0.965 1.00 0.76 C ATOM 510 C GLN A 652 -15.095 -3.226 -1.659 1.00 0.71 C ATOM 511 O GLN A 652 -15.779 -2.203 -1.596 1.00 0.87 O ATOM 512 CB GLN A 652 -15.131 -4.472 0.506 1.00 0.84 C ATOM 513 CG GLN A 652 -15.358 -5.798 1.206 1.00 1.34 C ATOM 514 CD GLN A 652 -16.822 -6.083 1.482 1.00 1.94 C ATOM 515 OE1 GLN A 652 -17.583 -5.047 1.795 1.00 2.22 O flip ATOM 516 NE2 GLN A 652 -17.255 -7.232 1.448 1.00 2.75 N flip ATOM 0 H GLN A 652 -13.901 -5.739 -1.410 1.00 0.69 H new ATOM 0 HA GLN A 652 -16.611 -4.590 -1.049 1.00 0.76 H new ATOM 0 HB2 GLN A 652 -14.079 -4.198 0.588 1.00 0.84 H new ATOM 0 HB3 GLN A 652 -15.703 -3.695 1.014 1.00 0.84 H new ATOM 0 HG2 GLN A 652 -14.947 -6.600 0.593 1.00 1.34 H new ATOM 0 HG3 GLN A 652 -14.809 -5.803 2.148 1.00 1.34 H new ATOM 0 HE21 GLN A 652 -16.635 -8.004 1.202 1.00 2.75 H new ATOM 0 HE22 GLN A 652 -18.235 -7.415 1.666 1.00 2.75 H new ATOM 525 N PHE A 653 -13.963 -3.301 -2.340 1.00 0.56 N ATOM 526 CA PHE A 653 -13.370 -2.140 -2.968 1.00 0.51 C ATOM 527 C PHE A 653 -14.169 -1.680 -4.169 1.00 0.61 C ATOM 528 O PHE A 653 -14.662 -2.486 -4.963 1.00 0.87 O ATOM 529 CB PHE A 653 -11.952 -2.456 -3.411 1.00 0.44 C ATOM 530 CG PHE A 653 -10.878 -1.945 -2.493 1.00 0.43 C ATOM 531 CD1 PHE A 653 -11.042 -0.761 -1.794 1.00 0.58 C ATOM 532 CD2 PHE A 653 -9.683 -2.634 -2.361 1.00 0.52 C ATOM 533 CE1 PHE A 653 -10.034 -0.275 -0.986 1.00 0.66 C ATOM 534 CE2 PHE A 653 -8.680 -2.157 -1.553 1.00 0.58 C ATOM 535 CZ PHE A 653 -8.852 -0.979 -0.868 1.00 0.58 C ATOM 0 H PHE A 653 -13.435 -4.164 -2.470 1.00 0.56 H new ATOM 0 HA PHE A 653 -13.366 -1.338 -2.229 1.00 0.51 H new ATOM 0 HB2 PHE A 653 -11.847 -3.537 -3.504 1.00 0.44 H new ATOM 0 HB3 PHE A 653 -11.794 -2.034 -4.403 1.00 0.44 H new ATOM 0 HD1 PHE A 653 -11.968 -0.212 -1.882 1.00 0.58 H new ATOM 0 HD2 PHE A 653 -9.538 -3.558 -2.901 1.00 0.52 H new ATOM 0 HE1 PHE A 653 -10.169 0.652 -0.448 1.00 0.66 H new ATOM 0 HE2 PHE A 653 -7.756 -2.708 -1.456 1.00 0.58 H new ATOM 0 HZ PHE A 653 -8.061 -0.603 -0.236 1.00 0.58 H new ATOM 545 N ASP A 654 -14.311 -0.374 -4.284 1.00 0.53 N ATOM 546 CA ASP A 654 -14.871 0.220 -5.474 1.00 0.58 C ATOM 547 C ASP A 654 -13.760 0.377 -6.511 1.00 0.58 C ATOM 548 O ASP A 654 -12.590 0.151 -6.199 1.00 0.63 O ATOM 549 CB ASP A 654 -15.531 1.563 -5.142 1.00 0.65 C ATOM 550 CG ASP A 654 -16.230 2.180 -6.331 1.00 1.07 C ATOM 551 OD1 ASP A 654 -17.087 1.504 -6.931 1.00 1.47 O ATOM 552 OD2 ASP A 654 -15.903 3.327 -6.681 1.00 1.77 O ATOM 0 H ASP A 654 -14.044 0.295 -3.562 1.00 0.53 H new ATOM 0 HA ASP A 654 -15.648 -0.424 -5.885 1.00 0.58 H new ATOM 0 HB2 ASP A 654 -16.251 1.420 -4.337 1.00 0.65 H new ATOM 0 HB3 ASP A 654 -14.773 2.254 -4.773 1.00 0.65 H new ATOM 557 N HIS A 655 -14.109 0.771 -7.716 1.00 0.63 N ATOM 558 CA HIS A 655 -13.168 0.717 -8.839 1.00 0.67 C ATOM 559 C HIS A 655 -12.001 1.676 -8.636 1.00 0.63 C ATOM 560 O HIS A 655 -10.836 1.287 -8.744 1.00 0.65 O ATOM 561 CB HIS A 655 -13.885 1.043 -10.149 1.00 0.83 C ATOM 562 CG HIS A 655 -14.995 0.096 -10.480 1.00 1.61 C ATOM 563 ND1 HIS A 655 -16.325 0.460 -10.472 1.00 2.50 N ATOM 564 CD2 HIS A 655 -14.966 -1.209 -10.831 1.00 2.36 C ATOM 565 CE1 HIS A 655 -17.064 -0.582 -10.804 1.00 3.36 C ATOM 566 NE2 HIS A 655 -16.264 -1.604 -11.026 1.00 3.28 N ATOM 0 H HIS A 655 -15.032 1.133 -7.954 1.00 0.63 H new ATOM 0 HA HIS A 655 -12.770 -0.297 -8.888 1.00 0.67 H new ATOM 0 HB2 HIS A 655 -14.288 2.054 -10.090 1.00 0.83 H new ATOM 0 HB3 HIS A 655 -13.159 1.036 -10.962 1.00 0.83 H new ATOM 0 HD2 HIS A 655 -14.085 -1.825 -10.938 1.00 2.36 H new ATOM 0 HE1 HIS A 655 -18.141 -0.594 -10.881 1.00 3.36 H new ATOM 0 HE2 HIS A 655 -16.563 -2.540 -11.299 1.00 3.28 H new ATOM 575 N GLU A 656 -12.323 2.916 -8.307 1.00 0.64 N ATOM 576 CA GLU A 656 -11.309 3.932 -8.059 1.00 0.64 C ATOM 577 C GLU A 656 -10.517 3.608 -6.799 1.00 0.50 C ATOM 578 O GLU A 656 -9.330 3.919 -6.704 1.00 0.54 O ATOM 579 CB GLU A 656 -11.947 5.317 -7.977 1.00 0.75 C ATOM 580 CG GLU A 656 -13.250 5.345 -7.198 1.00 0.82 C ATOM 581 CD GLU A 656 -13.973 6.666 -7.328 1.00 1.30 C ATOM 582 OE1 GLU A 656 -14.051 7.202 -8.454 1.00 2.14 O ATOM 583 OE2 GLU A 656 -14.468 7.177 -6.300 1.00 1.32 O ATOM 0 H GLU A 656 -13.283 3.246 -8.205 1.00 0.64 H new ATOM 0 HA GLU A 656 -10.610 3.936 -8.895 1.00 0.64 H new ATOM 0 HB2 GLU A 656 -11.241 6.005 -7.512 1.00 0.75 H new ATOM 0 HB3 GLU A 656 -12.130 5.683 -8.987 1.00 0.75 H new ATOM 0 HG2 GLU A 656 -13.898 4.543 -7.551 1.00 0.82 H new ATOM 0 HG3 GLU A 656 -13.045 5.149 -6.146 1.00 0.82 H new ATOM 590 N ASN A 657 -11.185 2.970 -5.842 1.00 0.44 N ATOM 591 CA ASN A 657 -10.570 2.621 -4.568 1.00 0.41 C ATOM 592 C ASN A 657 -9.369 1.731 -4.806 1.00 0.32 C ATOM 593 O ASN A 657 -8.293 1.954 -4.260 1.00 0.33 O ATOM 594 CB ASN A 657 -11.553 1.846 -3.684 1.00 0.57 C ATOM 595 CG ASN A 657 -12.800 2.613 -3.297 1.00 0.89 C ATOM 596 OD1 ASN A 657 -13.259 3.510 -4.007 1.00 1.88 O ATOM 597 ND2 ASN A 657 -13.371 2.235 -2.168 1.00 0.72 N ATOM 0 H ASN A 657 -12.160 2.683 -5.928 1.00 0.44 H new ATOM 0 HA ASN A 657 -10.277 3.548 -4.075 1.00 0.41 H new ATOM 0 HB2 ASN A 657 -11.850 0.937 -4.206 1.00 0.57 H new ATOM 0 HB3 ASN A 657 -11.037 1.537 -2.775 1.00 0.57 H new ATOM 0 HD21 ASN A 657 -14.227 2.690 -1.852 1.00 0.72 H new ATOM 0 HD22 ASN A 657 -12.956 1.488 -1.612 1.00 0.72 H new ATOM 604 N ILE A 658 -9.567 0.737 -5.657 1.00 0.32 N ATOM 605 CA ILE A 658 -8.536 -0.253 -5.939 1.00 0.32 C ATOM 606 C ILE A 658 -7.380 0.353 -6.733 1.00 0.31 C ATOM 607 O ILE A 658 -6.215 0.032 -6.485 1.00 0.34 O ATOM 608 CB ILE A 658 -9.129 -1.487 -6.667 1.00 0.39 C ATOM 609 CG1 ILE A 658 -9.661 -2.486 -5.632 1.00 0.37 C ATOM 610 CG2 ILE A 658 -8.102 -2.151 -7.584 1.00 0.46 C ATOM 611 CD1 ILE A 658 -10.046 -3.830 -6.210 1.00 0.43 C ATOM 0 H ILE A 658 -10.438 0.593 -6.168 1.00 0.32 H new ATOM 0 HA ILE A 658 -8.135 -0.590 -4.983 1.00 0.32 H new ATOM 0 HB ILE A 658 -9.951 -1.150 -7.299 1.00 0.39 H new ATOM 0 HG12 ILE A 658 -8.901 -2.637 -4.865 1.00 0.37 H new ATOM 0 HG13 ILE A 658 -10.531 -2.052 -5.138 1.00 0.37 H new ATOM 0 HG21 ILE A 658 -8.556 -3.011 -8.076 1.00 0.46 H new ATOM 0 HG22 ILE A 658 -7.770 -1.436 -8.337 1.00 0.46 H new ATOM 0 HG23 ILE A 658 -7.246 -2.480 -6.994 1.00 0.46 H new ATOM 0 HD11 ILE A 658 -10.412 -4.477 -5.413 1.00 0.43 H new ATOM 0 HD12 ILE A 658 -10.829 -3.694 -6.956 1.00 0.43 H new ATOM 0 HD13 ILE A 658 -9.175 -4.288 -6.678 1.00 0.43 H new ATOM 623 N LYS A 659 -7.701 1.244 -7.665 1.00 0.32 N ATOM 624 CA LYS A 659 -6.684 1.915 -8.468 1.00 0.37 C ATOM 625 C LYS A 659 -5.745 2.711 -7.558 1.00 0.34 C ATOM 626 O LYS A 659 -4.508 2.581 -7.621 1.00 0.37 O ATOM 627 CB LYS A 659 -7.364 2.853 -9.471 1.00 0.48 C ATOM 628 CG LYS A 659 -6.465 3.328 -10.600 1.00 1.37 C ATOM 629 CD LYS A 659 -6.087 2.180 -11.520 1.00 1.85 C ATOM 630 CE LYS A 659 -5.462 2.681 -12.811 1.00 2.61 C ATOM 631 NZ LYS A 659 -5.133 1.565 -13.733 1.00 3.38 N ATOM 0 H LYS A 659 -8.659 1.519 -7.884 1.00 0.32 H new ATOM 0 HA LYS A 659 -6.101 1.171 -9.010 1.00 0.37 H new ATOM 0 HB2 LYS A 659 -8.226 2.342 -9.900 1.00 0.48 H new ATOM 0 HB3 LYS A 659 -7.744 3.723 -8.935 1.00 0.48 H new ATOM 0 HG2 LYS A 659 -6.974 4.104 -11.172 1.00 1.37 H new ATOM 0 HG3 LYS A 659 -5.563 3.778 -10.186 1.00 1.37 H new ATOM 0 HD2 LYS A 659 -5.387 1.519 -11.009 1.00 1.85 H new ATOM 0 HD3 LYS A 659 -6.974 1.590 -11.750 1.00 1.85 H new ATOM 0 HE2 LYS A 659 -6.148 3.370 -13.304 1.00 2.61 H new ATOM 0 HE3 LYS A 659 -4.556 3.243 -12.582 1.00 2.61 H new ATOM 0 HZ1 LYS A 659 -4.709 1.947 -14.602 1.00 3.38 H new ATOM 0 HZ2 LYS A 659 -4.459 0.921 -13.272 1.00 3.38 H new ATOM 0 HZ3 LYS A 659 -6.001 1.044 -13.971 1.00 3.38 H new ATOM 645 N GLN A 660 -6.351 3.503 -6.679 1.00 0.34 N ATOM 646 CA GLN A 660 -5.604 4.308 -5.730 1.00 0.38 C ATOM 647 C GLN A 660 -4.867 3.413 -4.746 1.00 0.31 C ATOM 648 O GLN A 660 -3.705 3.656 -4.438 1.00 0.31 O ATOM 649 CB GLN A 660 -6.537 5.262 -4.979 1.00 0.50 C ATOM 650 CG GLN A 660 -7.205 6.292 -5.875 1.00 1.28 C ATOM 651 CD GLN A 660 -8.161 7.201 -5.122 1.00 1.78 C ATOM 652 OE1 GLN A 660 -7.875 7.449 -3.852 1.00 1.90 O flip ATOM 653 NE2 GLN A 660 -9.149 7.680 -5.680 1.00 2.71 N flip ATOM 0 H GLN A 660 -7.364 3.602 -6.608 1.00 0.34 H new ATOM 0 HA GLN A 660 -4.875 4.901 -6.282 1.00 0.38 H new ATOM 0 HB2 GLN A 660 -7.307 4.680 -4.472 1.00 0.50 H new ATOM 0 HB3 GLN A 660 -5.968 5.779 -4.206 1.00 0.50 H new ATOM 0 HG2 GLN A 660 -6.438 6.899 -6.356 1.00 1.28 H new ATOM 0 HG3 GLN A 660 -7.749 5.778 -6.668 1.00 1.28 H new ATOM 0 HE21 GLN A 660 -9.336 7.465 -6.660 1.00 2.71 H new ATOM 0 HE22 GLN A 660 -9.781 8.291 -5.163 1.00 2.71 H new ATOM 662 N CYS A 661 -5.546 2.367 -4.285 1.00 0.27 N ATOM 663 CA CYS A 661 -4.980 1.442 -3.313 1.00 0.26 C ATOM 664 C CYS A 661 -3.660 0.862 -3.802 1.00 0.23 C ATOM 665 O CYS A 661 -2.668 0.908 -3.083 1.00 0.25 O ATOM 666 CB CYS A 661 -5.967 0.311 -3.014 1.00 0.28 C ATOM 667 SG CYS A 661 -5.340 -0.951 -1.884 1.00 0.30 S ATOM 0 H CYS A 661 -6.497 2.139 -4.573 1.00 0.27 H new ATOM 0 HA CYS A 661 -4.788 2.001 -2.397 1.00 0.26 H new ATOM 0 HB2 CYS A 661 -6.875 0.741 -2.591 1.00 0.28 H new ATOM 0 HB3 CYS A 661 -6.248 -0.167 -3.953 1.00 0.28 H new ATOM 0 HG CYS A 661 -5.185 -0.436 -0.701 1.00 0.30 H new ATOM 673 N ALA A 662 -3.652 0.323 -5.019 1.00 0.23 N ATOM 674 CA ALA A 662 -2.445 -0.273 -5.585 1.00 0.25 C ATOM 675 C ALA A 662 -1.277 0.711 -5.585 1.00 0.24 C ATOM 676 O ALA A 662 -0.205 0.417 -5.040 1.00 0.24 O ATOM 677 CB ALA A 662 -2.719 -0.771 -6.995 1.00 0.32 C ATOM 0 H ALA A 662 -4.467 0.287 -5.631 1.00 0.23 H new ATOM 0 HA ALA A 662 -2.163 -1.117 -4.956 1.00 0.25 H new ATOM 0 HB1 ALA A 662 -1.812 -1.213 -7.407 1.00 0.32 H new ATOM 0 HB2 ALA A 662 -3.509 -1.521 -6.969 1.00 0.32 H new ATOM 0 HB3 ALA A 662 -3.032 0.064 -7.621 1.00 0.32 H new ATOM 683 N LYS A 663 -1.488 1.891 -6.167 1.00 0.27 N ATOM 684 CA LYS A 663 -0.426 2.898 -6.224 1.00 0.30 C ATOM 685 C LYS A 663 0.008 3.315 -4.821 1.00 0.26 C ATOM 686 O LYS A 663 1.207 3.398 -4.510 1.00 0.29 O ATOM 687 CB LYS A 663 -0.891 4.143 -6.982 1.00 0.40 C ATOM 688 CG LYS A 663 -1.135 3.932 -8.466 1.00 1.19 C ATOM 689 CD LYS A 663 -1.454 5.253 -9.147 1.00 1.51 C ATOM 690 CE LYS A 663 -1.634 5.098 -10.646 1.00 2.61 C ATOM 691 NZ LYS A 663 -1.855 6.413 -11.303 1.00 3.57 N ATOM 0 H LYS A 663 -2.368 2.172 -6.599 1.00 0.27 H new ATOM 0 HA LYS A 663 0.417 2.446 -6.747 1.00 0.30 H new ATOM 0 HB2 LYS A 663 -1.811 4.507 -6.525 1.00 0.40 H new ATOM 0 HB3 LYS A 663 -0.143 4.926 -6.859 1.00 0.40 H new ATOM 0 HG2 LYS A 663 -0.254 3.483 -8.925 1.00 1.19 H new ATOM 0 HG3 LYS A 663 -1.960 3.234 -8.609 1.00 1.19 H new ATOM 0 HD2 LYS A 663 -2.363 5.672 -8.715 1.00 1.51 H new ATOM 0 HD3 LYS A 663 -0.651 5.964 -8.951 1.00 1.51 H new ATOM 0 HE2 LYS A 663 -0.752 4.620 -11.073 1.00 2.61 H new ATOM 0 HE3 LYS A 663 -2.481 4.442 -10.847 1.00 2.61 H new ATOM 0 HZ1 LYS A 663 -1.975 6.274 -12.327 1.00 3.57 H new ATOM 0 HZ2 LYS A 663 -2.710 6.857 -10.912 1.00 3.57 H new ATOM 0 HZ3 LYS A 663 -1.035 7.029 -11.131 1.00 3.57 H new ATOM 705 N ASP A 664 -0.986 3.553 -3.980 1.00 0.25 N ATOM 706 CA ASP A 664 -0.777 4.122 -2.660 1.00 0.29 C ATOM 707 C ASP A 664 -0.048 3.157 -1.737 1.00 0.25 C ATOM 708 O ASP A 664 0.921 3.538 -1.101 1.00 0.30 O ATOM 709 CB ASP A 664 -2.121 4.522 -2.059 1.00 0.38 C ATOM 710 CG ASP A 664 -1.993 5.278 -0.758 1.00 1.03 C ATOM 711 OD1 ASP A 664 -1.814 6.515 -0.800 1.00 1.60 O ATOM 712 OD2 ASP A 664 -2.115 4.652 0.310 1.00 1.72 O ATOM 0 H ASP A 664 -1.963 3.356 -4.195 1.00 0.25 H new ATOM 0 HA ASP A 664 -0.146 5.005 -2.766 1.00 0.29 H new ATOM 0 HB2 ASP A 664 -2.663 5.137 -2.777 1.00 0.38 H new ATOM 0 HB3 ASP A 664 -2.718 3.625 -1.893 1.00 0.38 H new ATOM 717 N ILE A 665 -0.492 1.907 -1.678 1.00 0.23 N ATOM 718 CA ILE A 665 0.131 0.929 -0.787 1.00 0.24 C ATOM 719 C ILE A 665 1.596 0.711 -1.151 1.00 0.25 C ATOM 720 O ILE A 665 2.431 0.543 -0.265 1.00 0.29 O ATOM 721 CB ILE A 665 -0.624 -0.427 -0.766 1.00 0.24 C ATOM 722 CG1 ILE A 665 -0.024 -1.391 0.276 1.00 0.29 C ATOM 723 CG2 ILE A 665 -0.613 -1.072 -2.137 1.00 0.23 C ATOM 724 CD1 ILE A 665 -0.920 -2.573 0.571 1.00 0.38 C ATOM 0 H ILE A 665 -1.272 1.547 -2.229 1.00 0.23 H new ATOM 0 HA ILE A 665 0.073 1.348 0.218 1.00 0.24 H new ATOM 0 HB ILE A 665 -1.656 -0.219 -0.483 1.00 0.24 H new ATOM 0 HG12 ILE A 665 0.939 -1.753 -0.084 1.00 0.29 H new ATOM 0 HG13 ILE A 665 0.166 -0.846 1.201 1.00 0.29 H new ATOM 0 HG21 ILE A 665 -1.148 -2.021 -2.097 1.00 0.23 H new ATOM 0 HG22 ILE A 665 -1.100 -0.411 -2.854 1.00 0.23 H new ATOM 0 HG23 ILE A 665 0.417 -1.249 -2.448 1.00 0.23 H new ATOM 0 HD11 ILE A 665 -0.443 -3.215 1.312 1.00 0.38 H new ATOM 0 HD12 ILE A 665 -1.875 -2.218 0.959 1.00 0.38 H new ATOM 0 HD13 ILE A 665 -1.089 -3.139 -0.345 1.00 0.38 H new ATOM 736 N VAL A 666 1.914 0.732 -2.447 1.00 0.24 N ATOM 737 CA VAL A 666 3.285 0.545 -2.885 1.00 0.27 C ATOM 738 C VAL A 666 4.203 1.625 -2.307 1.00 0.31 C ATOM 739 O VAL A 666 5.231 1.311 -1.712 1.00 0.40 O ATOM 740 CB VAL A 666 3.384 0.519 -4.427 1.00 0.27 C ATOM 741 CG1 VAL A 666 4.832 0.526 -4.883 1.00 0.34 C ATOM 742 CG2 VAL A 666 2.668 -0.705 -4.978 1.00 0.26 C ATOM 0 H VAL A 666 1.242 0.876 -3.201 1.00 0.24 H new ATOM 0 HA VAL A 666 3.617 -0.422 -2.508 1.00 0.27 H new ATOM 0 HB VAL A 666 2.903 1.418 -4.812 1.00 0.27 H new ATOM 0 HG11 VAL A 666 4.871 0.507 -5.972 1.00 0.34 H new ATOM 0 HG12 VAL A 666 5.324 1.427 -4.518 1.00 0.34 H new ATOM 0 HG13 VAL A 666 5.342 -0.352 -4.487 1.00 0.34 H new ATOM 0 HG21 VAL A 666 2.744 -0.713 -6.065 1.00 0.26 H new ATOM 0 HG22 VAL A 666 3.128 -1.608 -4.576 1.00 0.26 H new ATOM 0 HG23 VAL A 666 1.618 -0.673 -4.688 1.00 0.26 H new ATOM 752 N LYS A 667 3.833 2.895 -2.470 1.00 0.31 N ATOM 753 CA LYS A 667 4.655 3.990 -1.946 1.00 0.38 C ATOM 754 C LYS A 667 4.507 4.159 -0.427 1.00 0.31 C ATOM 755 O LYS A 667 5.491 4.312 0.287 1.00 0.37 O ATOM 756 CB LYS A 667 4.334 5.312 -2.651 1.00 0.53 C ATOM 757 CG LYS A 667 5.038 6.514 -2.027 1.00 0.94 C ATOM 758 CD LYS A 667 4.918 7.756 -2.895 1.00 1.55 C ATOM 759 CE LYS A 667 5.866 7.701 -4.082 1.00 2.46 C ATOM 760 NZ LYS A 667 7.293 7.801 -3.666 1.00 3.48 N ATOM 0 H LYS A 667 2.984 3.190 -2.952 1.00 0.31 H new ATOM 0 HA LYS A 667 5.691 3.720 -2.151 1.00 0.38 H new ATOM 0 HB2 LYS A 667 4.621 5.236 -3.700 1.00 0.53 H new ATOM 0 HB3 LYS A 667 3.257 5.477 -2.626 1.00 0.53 H new ATOM 0 HG2 LYS A 667 4.611 6.715 -1.045 1.00 0.94 H new ATOM 0 HG3 LYS A 667 6.091 6.279 -1.874 1.00 0.94 H new ATOM 0 HD2 LYS A 667 3.893 7.854 -3.251 1.00 1.55 H new ATOM 0 HD3 LYS A 667 5.134 8.641 -2.297 1.00 1.55 H new ATOM 0 HE2 LYS A 667 5.712 6.769 -4.625 1.00 2.46 H new ATOM 0 HE3 LYS A 667 5.632 8.513 -4.770 1.00 2.46 H new ATOM 0 HZ1 LYS A 667 7.879 7.211 -4.291 1.00 3.48 H new ATOM 0 HZ2 LYS A 667 7.605 8.791 -3.731 1.00 3.48 H new ATOM 0 HZ3 LYS A 667 7.393 7.471 -2.685 1.00 3.48 H new ATOM 774 N ILE A 668 3.280 4.132 0.062 1.00 0.25 N ATOM 775 CA ILE A 668 3.000 4.467 1.457 1.00 0.26 C ATOM 776 C ILE A 668 3.515 3.403 2.427 1.00 0.27 C ATOM 777 O ILE A 668 4.050 3.746 3.484 1.00 0.32 O ATOM 778 CB ILE A 668 1.486 4.737 1.690 1.00 0.30 C ATOM 779 CG1 ILE A 668 1.143 6.196 1.355 1.00 1.14 C ATOM 780 CG2 ILE A 668 1.072 4.421 3.124 1.00 0.87 C ATOM 781 CD1 ILE A 668 1.433 6.595 -0.077 1.00 1.73 C ATOM 0 H ILE A 668 2.456 3.881 -0.484 1.00 0.25 H new ATOM 0 HA ILE A 668 3.545 5.388 1.666 1.00 0.26 H new ATOM 0 HB ILE A 668 0.930 4.076 1.026 1.00 0.30 H new ATOM 0 HG12 ILE A 668 0.085 6.364 1.559 1.00 1.14 H new ATOM 0 HG13 ILE A 668 1.704 6.851 2.022 1.00 1.14 H new ATOM 0 HG21 ILE A 668 0.008 4.622 3.248 1.00 0.87 H new ATOM 0 HG22 ILE A 668 1.270 3.370 3.337 1.00 0.87 H new ATOM 0 HG23 ILE A 668 1.642 5.044 3.813 1.00 0.87 H new ATOM 0 HD11 ILE A 668 1.161 7.640 -0.226 1.00 1.73 H new ATOM 0 HD12 ILE A 668 2.495 6.463 -0.283 1.00 1.73 H new ATOM 0 HD13 ILE A 668 0.852 5.969 -0.754 1.00 1.73 H new ATOM 793 N LEU A 669 3.374 2.124 2.076 1.00 0.25 N ATOM 794 CA LEU A 669 3.804 1.053 2.975 1.00 0.29 C ATOM 795 C LEU A 669 5.303 1.157 3.228 1.00 0.30 C ATOM 796 O LEU A 669 5.747 1.114 4.378 1.00 0.37 O ATOM 797 CB LEU A 669 3.439 -0.332 2.417 1.00 0.29 C ATOM 798 CG LEU A 669 3.063 -1.390 3.469 1.00 0.35 C ATOM 799 CD1 LEU A 669 2.484 -2.623 2.790 1.00 0.37 C ATOM 800 CD2 LEU A 669 4.264 -1.777 4.326 1.00 0.39 C ATOM 0 H LEU A 669 2.973 1.808 1.193 1.00 0.25 H new ATOM 0 HA LEU A 669 3.276 1.170 3.922 1.00 0.29 H new ATOM 0 HB2 LEU A 669 2.603 -0.218 1.727 1.00 0.29 H new ATOM 0 HB3 LEU A 669 4.283 -0.705 1.837 1.00 0.29 H new ATOM 0 HG LEU A 669 2.310 -0.955 4.126 1.00 0.35 H new ATOM 0 HD11 LEU A 669 2.222 -3.365 3.545 1.00 0.37 H new ATOM 0 HD12 LEU A 669 1.592 -2.344 2.229 1.00 0.37 H new ATOM 0 HD13 LEU A 669 3.223 -3.044 2.109 1.00 0.37 H new ATOM 0 HD21 LEU A 669 3.962 -2.526 5.058 1.00 0.39 H new ATOM 0 HD22 LEU A 669 5.048 -2.187 3.690 1.00 0.39 H new ATOM 0 HD23 LEU A 669 4.641 -0.895 4.844 1.00 0.39 H new ATOM 812 N THR A 670 6.080 1.335 2.162 1.00 0.27 N ATOM 813 CA THR A 670 7.514 1.510 2.312 1.00 0.30 C ATOM 814 C THR A 670 7.830 2.797 3.057 1.00 0.33 C ATOM 815 O THR A 670 8.733 2.825 3.874 1.00 0.37 O ATOM 816 CB THR A 670 8.277 1.491 0.967 1.00 0.33 C ATOM 817 OG1 THR A 670 9.614 1.956 1.165 1.00 0.34 O ATOM 818 CG2 THR A 670 7.606 2.346 -0.094 1.00 0.37 C ATOM 0 H THR A 670 5.743 1.361 1.200 1.00 0.27 H new ATOM 0 HA THR A 670 7.857 0.653 2.892 1.00 0.30 H new ATOM 0 HB THR A 670 8.277 0.460 0.613 1.00 0.33 H new ATOM 0 HG1 THR A 670 10.245 1.237 0.954 1.00 0.34 H new ATOM 0 HG21 THR A 670 8.182 2.298 -1.018 1.00 0.37 H new ATOM 0 HG22 THR A 670 6.597 1.975 -0.275 1.00 0.37 H new ATOM 0 HG23 THR A 670 7.557 3.379 0.249 1.00 0.37 H new ATOM 826 N THR A 671 7.064 3.853 2.803 1.00 0.36 N ATOM 827 CA THR A 671 7.286 5.125 3.479 1.00 0.43 C ATOM 828 C THR A 671 7.145 4.963 4.994 1.00 0.45 C ATOM 829 O THR A 671 7.873 5.590 5.761 1.00 0.48 O ATOM 830 CB THR A 671 6.314 6.217 2.977 1.00 0.55 C ATOM 831 OG1 THR A 671 6.429 6.362 1.555 1.00 0.61 O ATOM 832 CG2 THR A 671 6.603 7.556 3.643 1.00 0.64 C ATOM 0 H THR A 671 6.290 3.853 2.139 1.00 0.36 H new ATOM 0 HA THR A 671 8.302 5.442 3.244 1.00 0.43 H new ATOM 0 HB THR A 671 5.301 5.908 3.236 1.00 0.55 H new ATOM 0 HG1 THR A 671 6.036 5.580 1.114 1.00 0.61 H new ATOM 0 HG21 THR A 671 5.904 8.306 3.271 1.00 0.64 H new ATOM 0 HG22 THR A 671 6.489 7.458 4.723 1.00 0.64 H new ATOM 0 HG23 THR A 671 7.623 7.864 3.412 1.00 0.64 H new ATOM 840 N LYS A 672 6.234 4.092 5.420 1.00 0.48 N ATOM 841 CA LYS A 672 5.992 3.879 6.840 1.00 0.58 C ATOM 842 C LYS A 672 7.180 3.191 7.489 1.00 0.51 C ATOM 843 O LYS A 672 7.678 3.633 8.528 1.00 0.56 O ATOM 844 CB LYS A 672 4.751 3.007 7.044 1.00 0.74 C ATOM 845 CG LYS A 672 3.442 3.679 6.670 1.00 1.19 C ATOM 846 CD LYS A 672 2.277 2.703 6.753 1.00 1.39 C ATOM 847 CE LYS A 672 2.197 2.033 8.118 1.00 1.74 C ATOM 848 NZ LYS A 672 1.961 3.006 9.217 1.00 2.10 N ATOM 0 H LYS A 672 5.654 3.525 4.802 1.00 0.48 H new ATOM 0 HA LYS A 672 5.839 4.855 7.301 1.00 0.58 H new ATOM 0 HB2 LYS A 672 4.860 2.098 6.453 1.00 0.74 H new ATOM 0 HB3 LYS A 672 4.703 2.704 8.090 1.00 0.74 H new ATOM 0 HG2 LYS A 672 3.261 4.523 7.336 1.00 1.19 H new ATOM 0 HG3 LYS A 672 3.512 4.080 5.659 1.00 1.19 H new ATOM 0 HD2 LYS A 672 1.345 3.231 6.552 1.00 1.39 H new ATOM 0 HD3 LYS A 672 2.385 1.942 5.980 1.00 1.39 H new ATOM 0 HE2 LYS A 672 1.394 1.296 8.111 1.00 1.74 H new ATOM 0 HE3 LYS A 672 3.124 1.492 8.309 1.00 1.74 H new ATOM 0 HZ1 LYS A 672 1.847 2.494 10.115 1.00 2.10 H new ATOM 0 HZ2 LYS A 672 2.772 3.653 9.288 1.00 2.10 H new ATOM 0 HZ3 LYS A 672 1.099 3.552 9.018 1.00 2.10 H new ATOM 862 N GLU A 673 7.636 2.110 6.872 1.00 0.46 N ATOM 863 CA GLU A 673 8.766 1.372 7.400 1.00 0.54 C ATOM 864 C GLU A 673 10.089 2.109 7.172 1.00 0.40 C ATOM 865 O GLU A 673 11.040 1.929 7.929 1.00 0.38 O ATOM 866 CB GLU A 673 8.792 -0.073 6.875 1.00 0.79 C ATOM 867 CG GLU A 673 8.720 -0.247 5.362 1.00 0.39 C ATOM 868 CD GLU A 673 8.545 -1.705 4.996 1.00 0.66 C ATOM 869 OE1 GLU A 673 9.406 -2.529 5.361 1.00 1.30 O ATOM 870 OE2 GLU A 673 7.562 -2.036 4.300 1.00 1.22 O ATOM 0 H GLU A 673 7.242 1.730 6.012 1.00 0.46 H new ATOM 0 HA GLU A 673 8.638 1.308 8.481 1.00 0.54 H new ATOM 0 HB2 GLU A 673 9.706 -0.549 7.230 1.00 0.79 H new ATOM 0 HB3 GLU A 673 7.957 -0.613 7.321 1.00 0.79 H new ATOM 0 HG2 GLU A 673 7.889 0.335 4.964 1.00 0.39 H new ATOM 0 HG3 GLU A 673 9.629 0.141 4.903 1.00 0.39 H new ATOM 877 N LEU A 674 10.136 2.948 6.142 1.00 0.37 N ATOM 878 CA LEU A 674 11.324 3.747 5.844 1.00 0.38 C ATOM 879 C LEU A 674 11.392 4.960 6.763 1.00 0.38 C ATOM 880 O LEU A 674 12.464 5.492 7.027 1.00 0.44 O ATOM 881 CB LEU A 674 11.320 4.215 4.385 1.00 0.48 C ATOM 882 CG LEU A 674 12.685 4.614 3.824 1.00 0.56 C ATOM 883 CD1 LEU A 674 13.606 3.407 3.755 1.00 0.85 C ATOM 884 CD2 LEU A 674 12.530 5.245 2.449 1.00 1.06 C ATOM 0 H LEU A 674 9.361 3.094 5.495 1.00 0.37 H new ATOM 0 HA LEU A 674 12.198 3.117 6.009 1.00 0.38 H new ATOM 0 HB2 LEU A 674 10.910 3.417 3.766 1.00 0.48 H new ATOM 0 HB3 LEU A 674 10.646 5.067 4.296 1.00 0.48 H new ATOM 0 HG LEU A 674 13.132 5.349 4.493 1.00 0.56 H new ATOM 0 HD11 LEU A 674 14.573 3.710 3.353 1.00 0.85 H new ATOM 0 HD12 LEU A 674 13.741 2.995 4.755 1.00 0.85 H new ATOM 0 HD13 LEU A 674 13.165 2.649 3.107 1.00 0.85 H new ATOM 0 HD21 LEU A 674 13.511 5.523 2.064 1.00 1.06 H new ATOM 0 HD22 LEU A 674 12.063 4.530 1.771 1.00 1.06 H new ATOM 0 HD23 LEU A 674 11.904 6.134 2.525 1.00 1.06 H new ATOM 896 N LYS A 675 10.240 5.419 7.230 1.00 0.39 N ATOM 897 CA LYS A 675 10.208 6.503 8.195 1.00 0.48 C ATOM 898 C LYS A 675 10.735 5.992 9.527 1.00 0.48 C ATOM 899 O LYS A 675 11.350 6.729 10.298 1.00 0.57 O ATOM 900 CB LYS A 675 8.792 7.059 8.351 1.00 0.59 C ATOM 901 CG LYS A 675 8.735 8.369 9.125 1.00 1.04 C ATOM 902 CD LYS A 675 7.321 8.926 9.179 1.00 1.53 C ATOM 903 CE LYS A 675 6.397 8.036 9.992 1.00 2.44 C ATOM 904 NZ LYS A 675 4.993 8.518 9.957 1.00 3.00 N ATOM 0 H LYS A 675 9.324 5.061 6.958 1.00 0.39 H new ATOM 0 HA LYS A 675 10.839 7.318 7.840 1.00 0.48 H new ATOM 0 HB2 LYS A 675 8.359 7.211 7.362 1.00 0.59 H new ATOM 0 HB3 LYS A 675 8.174 6.319 8.859 1.00 0.59 H new ATOM 0 HG2 LYS A 675 9.103 8.210 10.139 1.00 1.04 H new ATOM 0 HG3 LYS A 675 9.396 9.098 8.657 1.00 1.04 H new ATOM 0 HD2 LYS A 675 7.340 9.925 9.614 1.00 1.53 H new ATOM 0 HD3 LYS A 675 6.931 9.027 8.166 1.00 1.53 H new ATOM 0 HE2 LYS A 675 6.441 7.018 9.606 1.00 2.44 H new ATOM 0 HE3 LYS A 675 6.743 8.000 11.025 1.00 2.44 H new ATOM 0 HZ1 LYS A 675 4.394 7.884 10.524 1.00 3.00 H new ATOM 0 HZ2 LYS A 675 4.946 9.480 10.349 1.00 3.00 H new ATOM 0 HZ3 LYS A 675 4.654 8.528 8.974 1.00 3.00 H new ATOM 918 N LYS A 676 10.489 4.715 9.783 1.00 0.43 N ATOM 919 CA LYS A 676 11.027 4.063 10.965 1.00 0.48 C ATOM 920 C LYS A 676 12.507 3.738 10.757 1.00 0.42 C ATOM 921 O LYS A 676 13.364 4.127 11.556 1.00 0.50 O ATOM 922 CB LYS A 676 10.225 2.793 11.272 1.00 0.55 C ATOM 923 CG LYS A 676 10.637 2.094 12.560 1.00 1.42 C ATOM 924 CD LYS A 676 10.510 3.007 13.772 1.00 1.94 C ATOM 925 CE LYS A 676 9.092 3.532 13.942 1.00 2.50 C ATOM 926 NZ LYS A 676 8.965 4.399 15.144 1.00 3.41 N ATOM 0 H LYS A 676 9.921 4.112 9.188 1.00 0.43 H new ATOM 0 HA LYS A 676 10.942 4.737 11.818 1.00 0.48 H new ATOM 0 HB2 LYS A 676 9.167 3.050 11.333 1.00 0.55 H new ATOM 0 HB3 LYS A 676 10.336 2.096 10.441 1.00 0.55 H new ATOM 0 HG2 LYS A 676 10.017 1.209 12.706 1.00 1.42 H new ATOM 0 HG3 LYS A 676 11.668 1.750 12.472 1.00 1.42 H new ATOM 0 HD2 LYS A 676 10.805 2.463 14.669 1.00 1.94 H new ATOM 0 HD3 LYS A 676 11.198 3.846 13.668 1.00 1.94 H new ATOM 0 HE2 LYS A 676 8.804 4.096 13.055 1.00 2.50 H new ATOM 0 HE3 LYS A 676 8.401 2.693 14.024 1.00 2.50 H new ATOM 0 HZ1 LYS A 676 7.985 4.737 15.226 1.00 3.41 H new ATOM 0 HZ2 LYS A 676 9.215 3.854 15.993 1.00 3.41 H new ATOM 0 HZ3 LYS A 676 9.606 5.213 15.054 1.00 3.41 H new ATOM 940 N ASP A 677 12.798 3.043 9.667 1.00 0.37 N ATOM 941 CA ASP A 677 14.168 2.725 9.287 1.00 0.44 C ATOM 942 C ASP A 677 14.470 3.359 7.936 1.00 0.38 C ATOM 943 O ASP A 677 14.095 2.822 6.898 1.00 0.33 O ATOM 944 CB ASP A 677 14.374 1.209 9.186 1.00 0.60 C ATOM 945 CG ASP A 677 14.055 0.457 10.464 1.00 1.40 C ATOM 946 OD1 ASP A 677 14.931 0.390 11.356 1.00 1.68 O ATOM 947 OD2 ASP A 677 12.918 -0.045 10.597 1.00 2.13 O ATOM 0 H ASP A 677 12.094 2.684 9.022 1.00 0.37 H new ATOM 0 HA ASP A 677 14.839 3.116 10.052 1.00 0.44 H new ATOM 0 HB2 ASP A 677 13.749 0.820 8.382 1.00 0.60 H new ATOM 0 HB3 ASP A 677 15.409 1.011 8.909 1.00 0.60 H new ATOM 952 N SER A 678 15.143 4.499 7.944 1.00 0.47 N ATOM 953 CA SER A 678 15.379 5.256 6.717 1.00 0.52 C ATOM 954 C SER A 678 16.415 4.575 5.826 1.00 0.47 C ATOM 955 O SER A 678 16.649 4.984 4.689 1.00 0.52 O ATOM 956 CB SER A 678 15.800 6.684 7.058 1.00 0.72 C ATOM 957 OG SER A 678 16.906 6.692 7.950 1.00 0.83 O ATOM 0 H SER A 678 15.537 4.923 8.784 1.00 0.47 H new ATOM 0 HA SER A 678 14.447 5.290 6.153 1.00 0.52 H new ATOM 0 HB2 SER A 678 16.062 7.217 6.144 1.00 0.72 H new ATOM 0 HB3 SER A 678 14.962 7.216 7.508 1.00 0.72 H new ATOM 0 HG SER A 678 17.157 7.618 8.151 1.00 0.83 H new ATOM 963 N SER A 679 17.031 3.532 6.352 1.00 0.45 N ATOM 964 CA SER A 679 17.952 2.718 5.583 1.00 0.48 C ATOM 965 C SER A 679 17.502 1.267 5.655 1.00 0.42 C ATOM 966 O SER A 679 18.263 0.374 6.020 1.00 0.58 O ATOM 967 CB SER A 679 19.378 2.878 6.115 1.00 0.64 C ATOM 968 OG SER A 679 19.790 4.236 6.049 1.00 1.54 O ATOM 0 H SER A 679 16.908 3.227 7.318 1.00 0.45 H new ATOM 0 HA SER A 679 17.951 3.042 4.542 1.00 0.48 H new ATOM 0 HB2 SER A 679 19.428 2.527 7.146 1.00 0.64 H new ATOM 0 HB3 SER A 679 20.060 2.257 5.534 1.00 0.64 H new ATOM 0 HG SER A 679 20.703 4.318 6.395 1.00 1.54 H new ATOM 974 N ARG A 680 16.237 1.056 5.328 1.00 0.35 N ATOM 975 CA ARG A 680 15.623 -0.254 5.425 1.00 0.45 C ATOM 976 C ARG A 680 15.485 -0.886 4.050 1.00 0.34 C ATOM 977 O ARG A 680 14.613 -0.511 3.266 1.00 0.34 O ATOM 978 CB ARG A 680 14.256 -0.121 6.081 1.00 0.64 C ATOM 979 CG ARG A 680 13.559 -1.437 6.348 1.00 0.66 C ATOM 980 CD ARG A 680 12.283 -1.208 7.131 1.00 1.09 C ATOM 981 NE ARG A 680 11.544 -2.440 7.362 1.00 1.07 N ATOM 982 CZ ARG A 680 10.811 -2.671 8.448 1.00 1.63 C ATOM 983 NH1 ARG A 680 10.780 -1.781 9.435 1.00 2.62 N ATOM 984 NH2 ARG A 680 10.116 -3.796 8.552 1.00 1.71 N ATOM 0 H ARG A 680 15.611 1.787 4.989 1.00 0.35 H new ATOM 0 HA ARG A 680 16.258 -0.899 6.032 1.00 0.45 H new ATOM 0 HB2 ARG A 680 14.370 0.414 7.024 1.00 0.64 H new ATOM 0 HB3 ARG A 680 13.618 0.491 5.443 1.00 0.64 H new ATOM 0 HG2 ARG A 680 13.331 -1.933 5.405 1.00 0.66 H new ATOM 0 HG3 ARG A 680 14.221 -2.100 6.905 1.00 0.66 H new ATOM 0 HD2 ARG A 680 12.526 -0.748 8.089 1.00 1.09 H new ATOM 0 HD3 ARG A 680 11.650 -0.504 6.591 1.00 1.09 H new ATOM 0 HE ARG A 680 11.591 -3.169 6.650 1.00 1.07 H new ATOM 0 HH11 ARG A 680 11.319 -0.918 9.361 1.00 2.62 H new ATOM 0 HH12 ARG A 680 10.217 -1.961 10.266 1.00 2.62 H new ATOM 0 HH21 ARG A 680 10.144 -4.484 7.799 1.00 1.71 H new ATOM 0 HH22 ARG A 680 9.554 -3.973 9.385 1.00 1.71 H new ATOM 998 N ALA A 681 16.359 -1.834 3.762 1.00 0.36 N ATOM 999 CA ALA A 681 16.324 -2.546 2.493 1.00 0.31 C ATOM 1000 C ALA A 681 15.085 -3.431 2.418 1.00 0.27 C ATOM 1001 O ALA A 681 14.690 -4.051 3.411 1.00 0.34 O ATOM 1002 CB ALA A 681 17.586 -3.376 2.315 1.00 0.40 C ATOM 0 H ALA A 681 17.105 -2.131 4.391 1.00 0.36 H new ATOM 0 HA ALA A 681 16.277 -1.816 1.685 1.00 0.31 H new ATOM 0 HB1 ALA A 681 17.544 -3.902 1.361 1.00 0.40 H new ATOM 0 HB2 ALA A 681 18.457 -2.721 2.330 1.00 0.40 H new ATOM 0 HB3 ALA A 681 17.662 -4.100 3.126 1.00 0.40 H new ATOM 1008 N PRO A 682 14.457 -3.496 1.239 1.00 0.24 N ATOM 1009 CA PRO A 682 13.239 -4.281 1.029 1.00 0.23 C ATOM 1010 C PRO A 682 13.499 -5.770 1.162 1.00 0.25 C ATOM 1011 O PRO A 682 14.564 -6.251 0.763 1.00 0.31 O ATOM 1012 CB PRO A 682 12.829 -3.955 -0.417 1.00 0.27 C ATOM 1013 CG PRO A 682 13.642 -2.770 -0.815 1.00 0.29 C ATOM 1014 CD PRO A 682 14.895 -2.823 0.007 1.00 0.31 C ATOM 0 HA PRO A 682 12.473 -4.039 1.766 1.00 0.23 H new ATOM 0 HB2 PRO A 682 13.021 -4.800 -1.078 1.00 0.27 H new ATOM 0 HB3 PRO A 682 11.763 -3.737 -0.481 1.00 0.27 H new ATOM 0 HG2 PRO A 682 13.874 -2.798 -1.880 1.00 0.29 H new ATOM 0 HG3 PRO A 682 13.096 -1.845 -0.632 1.00 0.29 H new ATOM 0 HD2 PRO A 682 15.685 -3.380 -0.497 1.00 0.31 H new ATOM 0 HD3 PRO A 682 15.287 -1.826 0.210 1.00 0.31 H new ATOM 1022 N PRO A 683 12.564 -6.524 1.769 1.00 0.25 N ATOM 1023 CA PRO A 683 12.635 -7.984 1.773 1.00 0.27 C ATOM 1024 C PRO A 683 12.720 -8.545 0.361 1.00 0.29 C ATOM 1025 O PRO A 683 12.485 -7.829 -0.614 1.00 0.38 O ATOM 1026 CB PRO A 683 11.326 -8.414 2.432 1.00 0.32 C ATOM 1027 CG PRO A 683 10.924 -7.255 3.270 1.00 0.38 C ATOM 1028 CD PRO A 683 11.408 -6.024 2.546 1.00 0.28 C ATOM 0 HA PRO A 683 13.521 -8.347 2.293 1.00 0.27 H new ATOM 0 HB2 PRO A 683 10.565 -8.646 1.686 1.00 0.32 H new ATOM 0 HB3 PRO A 683 11.463 -9.310 3.037 1.00 0.32 H new ATOM 0 HG2 PRO A 683 9.843 -7.228 3.404 1.00 0.38 H new ATOM 0 HG3 PRO A 683 11.367 -7.321 4.264 1.00 0.38 H new ATOM 0 HD2 PRO A 683 10.636 -5.608 1.898 1.00 0.28 H new ATOM 0 HD3 PRO A 683 11.700 -5.236 3.241 1.00 0.28 H new ATOM 1036 N ASP A 684 13.064 -9.808 0.241 1.00 0.37 N ATOM 1037 CA ASP A 684 13.120 -10.437 -1.063 1.00 0.47 C ATOM 1038 C ASP A 684 11.728 -10.476 -1.682 1.00 0.37 C ATOM 1039 O ASP A 684 11.482 -9.882 -2.736 1.00 0.40 O ATOM 1040 CB ASP A 684 13.707 -11.844 -0.950 1.00 0.70 C ATOM 1041 CG ASP A 684 13.632 -12.621 -2.246 1.00 1.52 C ATOM 1042 OD1 ASP A 684 14.110 -12.100 -3.276 1.00 2.24 O ATOM 1043 OD2 ASP A 684 13.075 -13.739 -2.249 1.00 2.04 O ATOM 0 H ASP A 684 13.308 -10.417 1.022 1.00 0.37 H new ATOM 0 HA ASP A 684 13.770 -9.851 -1.713 1.00 0.47 H new ATOM 0 HB2 ASP A 684 14.748 -11.773 -0.635 1.00 0.70 H new ATOM 0 HB3 ASP A 684 13.175 -12.392 -0.173 1.00 0.70 H new ATOM 1048 N ASP A 685 10.824 -11.164 -1.014 1.00 0.36 N ATOM 1049 CA ASP A 685 9.454 -11.289 -1.485 1.00 0.39 C ATOM 1050 C ASP A 685 8.510 -11.362 -0.307 1.00 0.34 C ATOM 1051 O ASP A 685 8.929 -11.274 0.849 1.00 0.31 O ATOM 1052 CB ASP A 685 9.301 -12.513 -2.387 1.00 0.61 C ATOM 1053 CG ASP A 685 8.146 -12.384 -3.363 1.00 1.11 C ATOM 1054 OD1 ASP A 685 7.000 -12.690 -2.983 1.00 1.54 O ATOM 1055 OD2 ASP A 685 8.380 -11.974 -4.518 1.00 1.95 O ATOM 0 H ASP A 685 11.013 -11.649 -0.137 1.00 0.36 H new ATOM 0 HA ASP A 685 9.203 -10.409 -2.077 1.00 0.39 H new ATOM 0 HB2 ASP A 685 10.226 -12.666 -2.944 1.00 0.61 H new ATOM 0 HB3 ASP A 685 9.151 -13.398 -1.769 1.00 0.61 H new ATOM 1060 N LEU A 686 7.243 -11.508 -0.618 1.00 0.39 N ATOM 1061 CA LEU A 686 6.200 -11.581 0.374 1.00 0.39 C ATOM 1062 C LEU A 686 6.290 -12.916 1.115 1.00 0.40 C ATOM 1063 O LEU A 686 5.760 -13.935 0.667 1.00 0.47 O ATOM 1064 CB LEU A 686 4.858 -11.409 -0.354 1.00 0.51 C ATOM 1065 CG LEU A 686 3.652 -11.048 0.507 1.00 0.50 C ATOM 1066 CD1 LEU A 686 3.103 -12.283 1.175 1.00 1.27 C ATOM 1067 CD2 LEU A 686 4.025 -9.995 1.540 1.00 0.94 C ATOM 0 H LEU A 686 6.906 -11.580 -1.578 1.00 0.39 H new ATOM 0 HA LEU A 686 6.301 -10.796 1.123 1.00 0.39 H new ATOM 0 HB2 LEU A 686 4.979 -10.635 -1.112 1.00 0.51 H new ATOM 0 HB3 LEU A 686 4.635 -12.337 -0.880 1.00 0.51 H new ATOM 0 HG LEU A 686 2.878 -10.629 -0.136 1.00 0.50 H new ATOM 0 HD11 LEU A 686 2.242 -12.013 1.787 1.00 1.27 H new ATOM 0 HD12 LEU A 686 2.797 -13.002 0.415 1.00 1.27 H new ATOM 0 HD13 LEU A 686 3.872 -12.728 1.806 1.00 1.27 H new ATOM 0 HD21 LEU A 686 3.151 -9.752 2.144 1.00 0.94 H new ATOM 0 HD22 LEU A 686 4.815 -10.381 2.184 1.00 0.94 H new ATOM 0 HD23 LEU A 686 4.377 -9.097 1.033 1.00 0.94 H new ATOM 1079 N THR A 687 6.986 -12.896 2.245 1.00 0.40 N ATOM 1080 CA THR A 687 7.114 -14.065 3.095 1.00 0.47 C ATOM 1081 C THR A 687 5.968 -14.104 4.089 1.00 0.42 C ATOM 1082 O THR A 687 5.189 -13.161 4.141 1.00 0.46 O ATOM 1083 CB THR A 687 8.455 -14.052 3.854 1.00 0.58 C ATOM 1084 OG1 THR A 687 8.607 -12.799 4.538 1.00 0.76 O ATOM 1085 CG2 THR A 687 9.623 -14.265 2.901 1.00 1.00 C ATOM 0 H THR A 687 7.474 -12.071 2.594 1.00 0.40 H new ATOM 0 HA THR A 687 7.084 -14.952 2.463 1.00 0.47 H new ATOM 0 HB THR A 687 8.452 -14.868 4.577 1.00 0.58 H new ATOM 0 HG1 THR A 687 9.459 -12.792 5.022 1.00 0.76 H new ATOM 0 HG21 THR A 687 10.557 -14.251 3.462 1.00 1.00 H new ATOM 0 HG22 THR A 687 9.514 -15.227 2.401 1.00 1.00 H new ATOM 0 HG23 THR A 687 9.635 -13.469 2.157 1.00 1.00 H new ATOM 1093 N LYS A 688 5.855 -15.164 4.878 1.00 0.42 N ATOM 1094 CA LYS A 688 4.750 -15.273 5.830 1.00 0.41 C ATOM 1095 C LYS A 688 4.793 -14.138 6.860 1.00 0.35 C ATOM 1096 O LYS A 688 3.751 -13.598 7.242 1.00 0.34 O ATOM 1097 CB LYS A 688 4.751 -16.643 6.526 1.00 0.54 C ATOM 1098 CG LYS A 688 6.021 -16.964 7.299 1.00 1.39 C ATOM 1099 CD LYS A 688 5.911 -18.312 7.999 1.00 1.84 C ATOM 1100 CE LYS A 688 4.782 -18.325 9.020 1.00 2.44 C ATOM 1101 NZ LYS A 688 4.576 -19.673 9.613 1.00 2.94 N ATOM 0 H LYS A 688 6.503 -15.952 4.881 1.00 0.42 H new ATOM 0 HA LYS A 688 3.820 -15.182 5.268 1.00 0.41 H new ATOM 0 HB2 LYS A 688 3.904 -16.688 7.211 1.00 0.54 H new ATOM 0 HB3 LYS A 688 4.594 -17.417 5.775 1.00 0.54 H new ATOM 0 HG2 LYS A 688 6.872 -16.973 6.618 1.00 1.39 H new ATOM 0 HG3 LYS A 688 6.210 -16.183 8.035 1.00 1.39 H new ATOM 0 HD2 LYS A 688 5.741 -19.094 7.259 1.00 1.84 H new ATOM 0 HD3 LYS A 688 6.854 -18.542 8.496 1.00 1.84 H new ATOM 0 HE2 LYS A 688 5.004 -17.611 9.813 1.00 2.44 H new ATOM 0 HE3 LYS A 688 3.859 -17.995 8.543 1.00 2.44 H new ATOM 0 HZ1 LYS A 688 3.798 -19.634 10.302 1.00 2.94 H new ATOM 0 HZ2 LYS A 688 4.338 -20.351 8.861 1.00 2.94 H new ATOM 0 HZ3 LYS A 688 5.447 -19.979 10.092 1.00 2.94 H new ATOM 1115 N GLY A 689 5.997 -13.758 7.279 1.00 0.43 N ATOM 1116 CA GLY A 689 6.143 -12.678 8.235 1.00 0.48 C ATOM 1117 C GLY A 689 5.715 -11.342 7.660 1.00 0.39 C ATOM 1118 O GLY A 689 4.905 -10.630 8.260 1.00 0.44 O ATOM 0 H GLY A 689 6.874 -14.180 6.972 1.00 0.43 H new ATOM 0 HA2 GLY A 689 5.548 -12.897 9.122 1.00 0.48 H new ATOM 0 HA3 GLY A 689 7.183 -12.617 8.556 1.00 0.48 H new ATOM 1122 N LYS A 690 6.254 -11.009 6.490 1.00 0.37 N ATOM 1123 CA LYS A 690 5.906 -9.766 5.812 1.00 0.34 C ATOM 1124 C LYS A 690 4.440 -9.790 5.392 1.00 0.23 C ATOM 1125 O LYS A 690 3.765 -8.762 5.406 1.00 0.24 O ATOM 1126 CB LYS A 690 6.805 -9.553 4.588 1.00 0.48 C ATOM 1127 CG LYS A 690 6.646 -8.188 3.927 1.00 0.73 C ATOM 1128 CD LYS A 690 7.061 -7.059 4.860 1.00 0.83 C ATOM 1129 CE LYS A 690 6.962 -5.702 4.175 1.00 0.84 C ATOM 1130 NZ LYS A 690 7.394 -4.596 5.068 1.00 0.95 N ATOM 0 H LYS A 690 6.934 -11.584 5.992 1.00 0.37 H new ATOM 0 HA LYS A 690 6.061 -8.938 6.503 1.00 0.34 H new ATOM 0 HB2 LYS A 690 7.845 -9.680 4.888 1.00 0.48 H new ATOM 0 HB3 LYS A 690 6.589 -10.328 3.853 1.00 0.48 H new ATOM 0 HG2 LYS A 690 7.249 -8.151 3.020 1.00 0.73 H new ATOM 0 HG3 LYS A 690 5.608 -8.048 3.626 1.00 0.73 H new ATOM 0 HD2 LYS A 690 6.427 -7.067 5.747 1.00 0.83 H new ATOM 0 HD3 LYS A 690 8.084 -7.223 5.198 1.00 0.83 H new ATOM 0 HE2 LYS A 690 7.578 -5.704 3.276 1.00 0.84 H new ATOM 0 HE3 LYS A 690 5.934 -5.531 3.857 1.00 0.84 H new ATOM 0 HZ1 LYS A 690 7.139 -3.684 4.639 1.00 0.95 H new ATOM 0 HZ2 LYS A 690 6.921 -4.689 5.990 1.00 0.95 H new ATOM 0 HZ3 LYS A 690 8.424 -4.640 5.201 1.00 0.95 H new ATOM 1144 N ARG A 691 3.957 -10.975 5.037 1.00 0.24 N ATOM 1145 CA ARG A 691 2.563 -11.179 4.653 1.00 0.26 C ATOM 1146 C ARG A 691 1.628 -10.721 5.758 1.00 0.28 C ATOM 1147 O ARG A 691 0.666 -10.001 5.510 1.00 0.34 O ATOM 1148 CB ARG A 691 2.328 -12.658 4.351 1.00 0.40 C ATOM 1149 CG ARG A 691 0.920 -13.005 3.893 1.00 0.53 C ATOM 1150 CD ARG A 691 0.820 -14.487 3.561 1.00 0.76 C ATOM 1151 NE ARG A 691 -0.436 -14.847 2.903 1.00 1.38 N ATOM 1152 CZ ARG A 691 -0.627 -16.011 2.275 1.00 1.90 C ATOM 1153 NH1 ARG A 691 0.354 -16.906 2.225 1.00 2.02 N ATOM 1154 NH2 ARG A 691 -1.788 -16.279 1.693 1.00 2.83 N ATOM 0 H ARG A 691 4.521 -11.824 5.007 1.00 0.24 H new ATOM 0 HA ARG A 691 2.355 -10.587 3.762 1.00 0.26 H new ATOM 0 HB2 ARG A 691 3.032 -12.972 3.581 1.00 0.40 H new ATOM 0 HB3 ARG A 691 2.556 -13.237 5.246 1.00 0.40 H new ATOM 0 HG2 ARG A 691 0.204 -12.752 4.675 1.00 0.53 H new ATOM 0 HG3 ARG A 691 0.659 -12.411 3.017 1.00 0.53 H new ATOM 0 HD2 ARG A 691 1.653 -14.765 2.916 1.00 0.76 H new ATOM 0 HD3 ARG A 691 0.921 -15.066 4.479 1.00 0.76 H new ATOM 0 HE ARG A 691 -1.204 -14.176 2.925 1.00 1.38 H new ATOM 0 HH11 ARG A 691 1.251 -16.704 2.666 1.00 2.02 H new ATOM 0 HH12 ARG A 691 0.209 -17.795 1.746 1.00 2.02 H new ATOM 0 HH21 ARG A 691 -2.543 -15.594 1.723 1.00 2.83 H new ATOM 0 HH22 ARG A 691 -1.926 -17.170 1.216 1.00 2.83 H new ATOM 1168 N HIS A 692 1.932 -11.136 6.980 1.00 0.31 N ATOM 1169 CA HIS A 692 1.133 -10.757 8.134 1.00 0.41 C ATOM 1170 C HIS A 692 1.129 -9.240 8.294 1.00 0.40 C ATOM 1171 O HIS A 692 0.094 -8.642 8.566 1.00 0.48 O ATOM 1172 CB HIS A 692 1.689 -11.417 9.399 1.00 0.54 C ATOM 1173 CG HIS A 692 0.765 -11.350 10.577 1.00 0.90 C ATOM 1174 ND1 HIS A 692 0.725 -10.293 11.459 1.00 1.60 N ATOM 1175 CD2 HIS A 692 -0.149 -12.241 11.024 1.00 1.58 C ATOM 1176 CE1 HIS A 692 -0.172 -10.538 12.393 1.00 1.90 C ATOM 1177 NE2 HIS A 692 -0.718 -11.714 12.155 1.00 1.83 N ATOM 0 H HIS A 692 2.728 -11.736 7.197 1.00 0.31 H new ATOM 0 HA HIS A 692 0.109 -11.098 7.980 1.00 0.41 H new ATOM 0 HB2 HIS A 692 1.912 -12.462 9.184 1.00 0.54 H new ATOM 0 HB3 HIS A 692 2.632 -10.938 9.662 1.00 0.54 H new ATOM 0 HD2 HIS A 692 -0.387 -13.193 10.573 1.00 1.58 H new ATOM 0 HE1 HIS A 692 -0.419 -9.884 13.216 1.00 1.90 H new ATOM 0 HE2 HIS A 692 -1.443 -12.158 12.718 1.00 1.83 H new ATOM 1186 N LYS A 693 2.298 -8.635 8.108 1.00 0.34 N ATOM 1187 CA LYS A 693 2.456 -7.194 8.268 1.00 0.38 C ATOM 1188 C LYS A 693 1.740 -6.410 7.164 1.00 0.30 C ATOM 1189 O LYS A 693 1.022 -5.451 7.448 1.00 0.35 O ATOM 1190 CB LYS A 693 3.943 -6.825 8.308 1.00 0.45 C ATOM 1191 CG LYS A 693 4.665 -7.362 9.536 1.00 1.15 C ATOM 1192 CD LYS A 693 6.130 -6.953 9.552 1.00 1.51 C ATOM 1193 CE LYS A 693 6.807 -7.337 10.861 1.00 1.69 C ATOM 1194 NZ LYS A 693 6.833 -8.810 11.079 1.00 1.99 N ATOM 0 H LYS A 693 3.154 -9.124 7.845 1.00 0.34 H new ATOM 0 HA LYS A 693 1.992 -6.917 9.215 1.00 0.38 H new ATOM 0 HB2 LYS A 693 4.430 -7.210 7.412 1.00 0.45 H new ATOM 0 HB3 LYS A 693 4.042 -5.740 8.283 1.00 0.45 H new ATOM 0 HG2 LYS A 693 4.174 -6.993 10.437 1.00 1.15 H new ATOM 0 HG3 LYS A 693 4.591 -8.449 9.555 1.00 1.15 H new ATOM 0 HD2 LYS A 693 6.650 -7.428 8.720 1.00 1.51 H new ATOM 0 HD3 LYS A 693 6.209 -5.876 9.404 1.00 1.51 H new ATOM 0 HE2 LYS A 693 7.828 -6.954 10.864 1.00 1.69 H new ATOM 0 HE3 LYS A 693 6.285 -6.859 11.690 1.00 1.69 H new ATOM 0 HZ1 LYS A 693 7.348 -9.022 11.957 1.00 1.99 H new ATOM 0 HZ2 LYS A 693 5.859 -9.167 11.154 1.00 1.99 H new ATOM 0 HZ3 LYS A 693 7.310 -9.271 10.278 1.00 1.99 H new ATOM 1208 N VAL A 694 1.930 -6.811 5.907 1.00 0.22 N ATOM 1209 CA VAL A 694 1.301 -6.106 4.793 1.00 0.20 C ATOM 1210 C VAL A 694 -0.217 -6.280 4.835 1.00 0.22 C ATOM 1211 O VAL A 694 -0.961 -5.334 4.573 1.00 0.25 O ATOM 1212 CB VAL A 694 1.851 -6.549 3.412 1.00 0.19 C ATOM 1213 CG1 VAL A 694 3.351 -6.312 3.330 1.00 0.24 C ATOM 1214 CG2 VAL A 694 1.523 -8.005 3.115 1.00 0.19 C ATOM 0 H VAL A 694 2.506 -7.609 5.638 1.00 0.22 H new ATOM 0 HA VAL A 694 1.550 -5.052 4.913 1.00 0.20 H new ATOM 0 HB VAL A 694 1.359 -5.940 2.654 1.00 0.19 H new ATOM 0 HG11 VAL A 694 3.717 -6.629 2.353 1.00 0.24 H new ATOM 0 HG12 VAL A 694 3.560 -5.251 3.468 1.00 0.24 H new ATOM 0 HG13 VAL A 694 3.853 -6.885 4.109 1.00 0.24 H new ATOM 0 HG21 VAL A 694 1.925 -8.277 2.139 1.00 0.19 H new ATOM 0 HG22 VAL A 694 1.967 -8.641 3.880 1.00 0.19 H new ATOM 0 HG23 VAL A 694 0.442 -8.141 3.112 1.00 0.19 H new ATOM 1224 N LYS A 695 -0.670 -7.481 5.197 1.00 0.22 N ATOM 1225 CA LYS A 695 -2.096 -7.763 5.317 1.00 0.27 C ATOM 1226 C LYS A 695 -2.696 -6.951 6.468 1.00 0.31 C ATOM 1227 O LYS A 695 -3.827 -6.468 6.389 1.00 0.36 O ATOM 1228 CB LYS A 695 -2.325 -9.261 5.555 1.00 0.30 C ATOM 1229 CG LYS A 695 -3.787 -9.646 5.749 1.00 0.98 C ATOM 1230 CD LYS A 695 -4.647 -9.230 4.564 1.00 1.59 C ATOM 1231 CE LYS A 695 -6.100 -9.645 4.755 1.00 2.05 C ATOM 1232 NZ LYS A 695 -6.706 -9.031 5.969 1.00 2.49 N ATOM 0 H LYS A 695 -0.066 -8.274 5.412 1.00 0.22 H new ATOM 0 HA LYS A 695 -2.588 -7.478 4.387 1.00 0.27 H new ATOM 0 HB2 LYS A 695 -1.924 -9.818 4.708 1.00 0.30 H new ATOM 0 HB3 LYS A 695 -1.760 -9.568 6.435 1.00 0.30 H new ATOM 0 HG2 LYS A 695 -3.862 -10.724 5.891 1.00 0.98 H new ATOM 0 HG3 LYS A 695 -4.168 -9.177 6.656 1.00 0.98 H new ATOM 0 HD2 LYS A 695 -4.590 -8.149 4.434 1.00 1.59 H new ATOM 0 HD3 LYS A 695 -4.255 -9.682 3.653 1.00 1.59 H new ATOM 0 HE2 LYS A 695 -6.677 -9.355 3.877 1.00 2.05 H new ATOM 0 HE3 LYS A 695 -6.159 -10.731 4.831 1.00 2.05 H new ATOM 0 HZ1 LYS A 695 -6.989 -9.780 6.633 1.00 2.49 H new ATOM 0 HZ2 LYS A 695 -6.011 -8.408 6.427 1.00 2.49 H new ATOM 0 HZ3 LYS A 695 -7.542 -8.476 5.697 1.00 2.49 H new ATOM 1246 N GLU A 696 -1.914 -6.804 7.534 1.00 0.34 N ATOM 1247 CA GLU A 696 -2.317 -6.034 8.705 1.00 0.43 C ATOM 1248 C GLU A 696 -2.643 -4.592 8.320 1.00 0.36 C ATOM 1249 O GLU A 696 -3.677 -4.046 8.713 1.00 0.39 O ATOM 1250 CB GLU A 696 -1.190 -6.062 9.742 1.00 0.55 C ATOM 1251 CG GLU A 696 -1.434 -5.192 10.960 1.00 1.22 C ATOM 1252 CD GLU A 696 -0.230 -5.141 11.878 1.00 1.97 C ATOM 1253 OE1 GLU A 696 0.778 -4.501 11.516 1.00 2.62 O ATOM 1254 OE2 GLU A 696 -0.283 -5.739 12.970 1.00 2.45 O ATOM 0 H GLU A 696 -0.984 -7.215 7.609 1.00 0.34 H new ATOM 0 HA GLU A 696 -3.215 -6.481 9.130 1.00 0.43 H new ATOM 0 HB2 GLU A 696 -1.041 -7.091 10.070 1.00 0.55 H new ATOM 0 HB3 GLU A 696 -0.264 -5.743 9.263 1.00 0.55 H new ATOM 0 HG2 GLU A 696 -1.686 -4.182 10.638 1.00 1.22 H new ATOM 0 HG3 GLU A 696 -2.293 -5.574 11.511 1.00 1.22 H new ATOM 1261 N PHE A 697 -1.773 -3.997 7.517 1.00 0.31 N ATOM 1262 CA PHE A 697 -1.938 -2.617 7.097 1.00 0.31 C ATOM 1263 C PHE A 697 -3.041 -2.490 6.059 1.00 0.27 C ATOM 1264 O PHE A 697 -3.958 -1.686 6.226 1.00 0.30 O ATOM 1265 CB PHE A 697 -0.618 -2.068 6.542 1.00 0.37 C ATOM 1266 CG PHE A 697 -0.774 -0.802 5.741 1.00 0.36 C ATOM 1267 CD1 PHE A 697 -1.047 0.401 6.375 1.00 0.52 C ATOM 1268 CD2 PHE A 697 -0.635 -0.809 4.361 1.00 0.30 C ATOM 1269 CE1 PHE A 697 -1.179 1.569 5.652 1.00 0.59 C ATOM 1270 CE2 PHE A 697 -0.769 0.358 3.632 1.00 0.34 C ATOM 1271 CZ PHE A 697 -1.084 1.522 4.244 1.00 0.49 C ATOM 0 H PHE A 697 -0.941 -4.453 7.142 1.00 0.31 H new ATOM 0 HA PHE A 697 -2.225 -2.030 7.969 1.00 0.31 H new ATOM 0 HB2 PHE A 697 0.064 -1.880 7.371 1.00 0.37 H new ATOM 0 HB3 PHE A 697 -0.154 -2.829 5.914 1.00 0.37 H new ATOM 0 HD1 PHE A 697 -1.158 0.424 7.449 1.00 0.52 H new ATOM 0 HD2 PHE A 697 -0.420 -1.736 3.850 1.00 0.30 H new ATOM 0 HE1 PHE A 697 -1.353 2.508 6.157 1.00 0.59 H new ATOM 0 HE2 PHE A 697 -0.621 0.340 2.562 1.00 0.34 H new ATOM 0 HZ PHE A 697 -1.262 2.412 3.658 1.00 0.49 H new ATOM 1281 N ILE A 698 -2.961 -3.301 5.006 1.00 0.24 N ATOM 1282 CA ILE A 698 -3.904 -3.199 3.902 1.00 0.24 C ATOM 1283 C ILE A 698 -5.332 -3.391 4.389 1.00 0.25 C ATOM 1284 O ILE A 698 -6.227 -2.718 3.919 1.00 0.29 O ATOM 1285 CB ILE A 698 -3.588 -4.198 2.754 1.00 0.26 C ATOM 1286 CG1 ILE A 698 -4.522 -3.982 1.557 1.00 0.38 C ATOM 1287 CG2 ILE A 698 -3.696 -5.634 3.230 1.00 0.31 C ATOM 1288 CD1 ILE A 698 -4.393 -2.622 0.914 1.00 1.25 C ATOM 0 H ILE A 698 -2.257 -4.031 4.897 1.00 0.24 H new ATOM 0 HA ILE A 698 -3.799 -2.194 3.494 1.00 0.24 H new ATOM 0 HB ILE A 698 -2.562 -4.008 2.438 1.00 0.26 H new ATOM 0 HG12 ILE A 698 -4.319 -4.747 0.808 1.00 0.38 H new ATOM 0 HG13 ILE A 698 -5.552 -4.122 1.884 1.00 0.38 H new ATOM 0 HG21 ILE A 698 -3.469 -6.309 2.405 1.00 0.31 H new ATOM 0 HG22 ILE A 698 -2.988 -5.803 4.041 1.00 0.31 H new ATOM 0 HG23 ILE A 698 -4.708 -5.824 3.586 1.00 0.31 H new ATOM 0 HD11 ILE A 698 -5.086 -2.548 0.076 1.00 1.25 H new ATOM 0 HD12 ILE A 698 -4.626 -1.849 1.647 1.00 1.25 H new ATOM 0 HD13 ILE A 698 -3.373 -2.485 0.554 1.00 1.25 H new ATOM 1300 N ASN A 699 -5.538 -4.277 5.357 1.00 0.26 N ATOM 1301 CA ASN A 699 -6.881 -4.557 5.862 1.00 0.31 C ATOM 1302 C ASN A 699 -7.543 -3.302 6.436 1.00 0.33 C ATOM 1303 O ASN A 699 -8.652 -2.930 6.037 1.00 0.37 O ATOM 1304 CB ASN A 699 -6.802 -5.641 6.936 1.00 0.35 C ATOM 1305 CG ASN A 699 -8.117 -5.863 7.652 1.00 0.42 C ATOM 1306 OD1 ASN A 699 -8.942 -6.665 7.222 1.00 0.49 O ATOM 1307 ND2 ASN A 699 -8.309 -5.163 8.760 1.00 0.47 N ATOM 0 H ASN A 699 -4.796 -4.813 5.808 1.00 0.26 H new ATOM 0 HA ASN A 699 -7.493 -4.901 5.028 1.00 0.31 H new ATOM 0 HB2 ASN A 699 -6.482 -6.577 6.477 1.00 0.35 H new ATOM 0 HB3 ASN A 699 -6.040 -5.367 7.665 1.00 0.35 H new ATOM 0 HD21 ASN A 699 -9.170 -5.279 9.294 1.00 0.47 H new ATOM 0 HD22 ASN A 699 -7.595 -4.508 9.079 1.00 0.47 H new ATOM 1314 N SER A 700 -6.846 -2.637 7.349 1.00 0.34 N ATOM 1315 CA SER A 700 -7.336 -1.394 7.933 1.00 0.39 C ATOM 1316 C SER A 700 -7.461 -0.320 6.853 1.00 0.38 C ATOM 1317 O SER A 700 -8.365 0.520 6.878 1.00 0.45 O ATOM 1318 CB SER A 700 -6.386 -0.930 9.043 1.00 0.44 C ATOM 1319 OG SER A 700 -5.128 -0.525 8.521 1.00 1.42 O ATOM 0 H SER A 700 -5.938 -2.938 7.702 1.00 0.34 H new ATOM 0 HA SER A 700 -8.322 -1.567 8.365 1.00 0.39 H new ATOM 0 HB2 SER A 700 -6.839 -0.101 9.587 1.00 0.44 H new ATOM 0 HB3 SER A 700 -6.240 -1.739 9.759 1.00 0.44 H new ATOM 0 HG SER A 700 -4.916 -1.059 7.727 1.00 1.42 H new ATOM 1325 N TYR A 701 -6.543 -0.376 5.902 1.00 0.33 N ATOM 1326 CA TYR A 701 -6.499 0.565 4.800 1.00 0.36 C ATOM 1327 C TYR A 701 -7.736 0.417 3.902 1.00 0.35 C ATOM 1328 O TYR A 701 -8.320 1.412 3.477 1.00 0.42 O ATOM 1329 CB TYR A 701 -5.196 0.341 4.024 1.00 0.38 C ATOM 1330 CG TYR A 701 -5.045 1.172 2.778 1.00 0.45 C ATOM 1331 CD1 TYR A 701 -5.030 2.553 2.861 1.00 0.95 C ATOM 1332 CD2 TYR A 701 -4.930 0.587 1.525 1.00 1.37 C ATOM 1333 CE1 TYR A 701 -4.899 3.333 1.741 1.00 0.98 C ATOM 1334 CE2 TYR A 701 -4.799 1.363 0.391 1.00 1.43 C ATOM 1335 CZ TYR A 701 -4.749 2.668 0.466 1.00 0.65 C ATOM 1336 OH TYR A 701 -4.651 3.511 -0.615 1.00 0.75 O ATOM 0 H TYR A 701 -5.805 -1.080 5.875 1.00 0.33 H new ATOM 0 HA TYR A 701 -6.515 1.587 5.179 1.00 0.36 H new ATOM 0 HB2 TYR A 701 -4.356 0.551 4.686 1.00 0.38 H new ATOM 0 HB3 TYR A 701 -5.131 -0.712 3.750 1.00 0.38 H new ATOM 0 HD1 TYR A 701 -5.123 3.026 3.827 1.00 0.95 H new ATOM 0 HD2 TYR A 701 -4.943 -0.489 1.436 1.00 1.37 H new ATOM 0 HE1 TYR A 701 -4.908 4.411 1.809 1.00 0.98 H new ATOM 0 HE2 TYR A 701 -4.737 0.884 -0.575 1.00 1.43 H new ATOM 0 HH TYR A 701 -4.704 4.441 -0.310 1.00 0.75 H new ATOM 1346 N MET A 702 -8.144 -0.828 3.648 1.00 0.31 N ATOM 1347 CA MET A 702 -9.336 -1.117 2.842 1.00 0.36 C ATOM 1348 C MET A 702 -10.554 -0.436 3.442 1.00 0.42 C ATOM 1349 O MET A 702 -11.308 0.263 2.755 1.00 0.48 O ATOM 1350 CB MET A 702 -9.622 -2.621 2.830 1.00 0.44 C ATOM 1351 CG MET A 702 -8.463 -3.490 2.395 1.00 0.56 C ATOM 1352 SD MET A 702 -8.639 -5.196 2.967 1.00 0.87 S ATOM 1353 CE MET A 702 -7.193 -5.942 2.224 1.00 1.08 C ATOM 0 H MET A 702 -7.663 -1.660 3.991 1.00 0.31 H new ATOM 0 HA MET A 702 -9.146 -0.753 1.832 1.00 0.36 H new ATOM 0 HB2 MET A 702 -9.929 -2.925 3.831 1.00 0.44 H new ATOM 0 HB3 MET A 702 -10.466 -2.809 2.167 1.00 0.44 H new ATOM 0 HG2 MET A 702 -8.390 -3.479 1.307 1.00 0.56 H new ATOM 0 HG3 MET A 702 -7.533 -3.073 2.781 1.00 0.56 H new ATOM 0 HE1 MET A 702 -7.502 -6.629 1.436 1.00 1.08 H new ATOM 0 HE2 MET A 702 -6.560 -5.163 1.799 1.00 1.08 H new ATOM 0 HE3 MET A 702 -6.635 -6.489 2.984 1.00 1.08 H new ATOM 1363 N ASP A 703 -10.720 -0.652 4.742 1.00 0.46 N ATOM 1364 CA ASP A 703 -11.894 -0.192 5.474 1.00 0.59 C ATOM 1365 C ASP A 703 -12.046 1.324 5.384 1.00 0.64 C ATOM 1366 O ASP A 703 -13.145 1.840 5.163 1.00 0.77 O ATOM 1367 CB ASP A 703 -11.781 -0.634 6.936 1.00 0.66 C ATOM 1368 CG ASP A 703 -13.042 -0.384 7.735 1.00 0.93 C ATOM 1369 OD1 ASP A 703 -14.097 -0.940 7.371 1.00 1.11 O ATOM 1370 OD2 ASP A 703 -12.989 0.409 8.703 1.00 1.06 O ATOM 0 H ASP A 703 -10.043 -1.152 5.319 1.00 0.46 H new ATOM 0 HA ASP A 703 -12.783 -0.636 5.025 1.00 0.59 H new ATOM 0 HB2 ASP A 703 -11.542 -1.697 6.970 1.00 0.66 H new ATOM 0 HB3 ASP A 703 -10.951 -0.106 7.405 1.00 0.66 H new ATOM 1375 N LYS A 704 -10.931 2.031 5.520 1.00 0.58 N ATOM 1376 CA LYS A 704 -10.941 3.492 5.520 1.00 0.66 C ATOM 1377 C LYS A 704 -11.304 4.090 4.159 1.00 0.66 C ATOM 1378 O LYS A 704 -11.870 5.183 4.100 1.00 0.76 O ATOM 1379 CB LYS A 704 -9.594 4.040 5.999 1.00 0.69 C ATOM 1380 CG LYS A 704 -9.385 3.868 7.494 1.00 1.15 C ATOM 1381 CD LYS A 704 -8.083 4.492 7.962 1.00 1.49 C ATOM 1382 CE LYS A 704 -7.971 4.462 9.480 1.00 2.15 C ATOM 1383 NZ LYS A 704 -7.984 3.075 10.023 1.00 2.95 N ATOM 0 H LYS A 704 -10.006 1.617 5.632 1.00 0.58 H new ATOM 0 HA LYS A 704 -11.724 3.795 6.215 1.00 0.66 H new ATOM 0 HB2 LYS A 704 -8.790 3.534 5.464 1.00 0.69 H new ATOM 0 HB3 LYS A 704 -9.527 5.098 5.747 1.00 0.69 H new ATOM 0 HG2 LYS A 704 -10.218 4.322 8.031 1.00 1.15 H new ATOM 0 HG3 LYS A 704 -9.387 2.806 7.741 1.00 1.15 H new ATOM 0 HD2 LYS A 704 -7.242 3.957 7.522 1.00 1.49 H new ATOM 0 HD3 LYS A 704 -8.024 5.522 7.611 1.00 1.49 H new ATOM 0 HE2 LYS A 704 -7.050 4.959 9.784 1.00 2.15 H new ATOM 0 HE3 LYS A 704 -8.796 5.027 9.914 1.00 2.15 H new ATOM 0 HZ1 LYS A 704 -7.787 3.100 11.044 1.00 2.95 H new ATOM 0 HZ2 LYS A 704 -8.918 2.647 9.861 1.00 2.95 H new ATOM 0 HZ3 LYS A 704 -7.256 2.508 9.544 1.00 2.95 H new ATOM 1397 N ILE A 705 -10.988 3.397 3.068 1.00 0.58 N ATOM 1398 CA ILE A 705 -11.254 3.935 1.740 1.00 0.64 C ATOM 1399 C ILE A 705 -12.756 3.933 1.478 1.00 0.70 C ATOM 1400 O ILE A 705 -13.302 4.849 0.862 1.00 0.83 O ATOM 1401 CB ILE A 705 -10.537 3.124 0.639 1.00 0.60 C ATOM 1402 CG1 ILE A 705 -9.046 2.975 0.962 1.00 0.60 C ATOM 1403 CG2 ILE A 705 -10.720 3.796 -0.717 1.00 0.68 C ATOM 1404 CD1 ILE A 705 -8.284 4.285 0.976 1.00 0.66 C ATOM 0 H ILE A 705 -10.553 2.474 3.077 1.00 0.58 H new ATOM 0 HA ILE A 705 -10.869 4.954 1.710 1.00 0.64 H new ATOM 0 HB ILE A 705 -10.981 2.129 0.600 1.00 0.60 H new ATOM 0 HG12 ILE A 705 -8.942 2.496 1.935 1.00 0.60 H new ATOM 0 HG13 ILE A 705 -8.591 2.310 0.229 1.00 0.60 H new ATOM 0 HG21 ILE A 705 -10.209 3.213 -1.484 1.00 0.68 H new ATOM 0 HG22 ILE A 705 -11.782 3.855 -0.954 1.00 0.68 H new ATOM 0 HG23 ILE A 705 -10.299 4.801 -0.685 1.00 0.68 H new ATOM 0 HD11 ILE A 705 -7.237 4.094 1.212 1.00 0.66 H new ATOM 0 HD12 ILE A 705 -8.355 4.758 -0.004 1.00 0.66 H new ATOM 0 HD13 ILE A 705 -8.711 4.946 1.730 1.00 0.66 H new ATOM 1416 N ILE A 706 -13.418 2.903 1.980 1.00 0.67 N ATOM 1417 CA ILE A 706 -14.858 2.773 1.835 1.00 0.79 C ATOM 1418 C ILE A 706 -15.571 3.771 2.738 1.00 0.99 C ATOM 1419 O ILE A 706 -16.519 4.436 2.320 1.00 1.17 O ATOM 1420 CB ILE A 706 -15.324 1.344 2.171 1.00 0.83 C ATOM 1421 CG1 ILE A 706 -14.559 0.334 1.311 1.00 1.18 C ATOM 1422 CG2 ILE A 706 -16.826 1.207 1.953 1.00 1.43 C ATOM 1423 CD1 ILE A 706 -14.868 -1.104 1.648 1.00 1.75 C ATOM 0 H ILE A 706 -12.977 2.141 2.495 1.00 0.67 H new ATOM 0 HA ILE A 706 -15.109 2.982 0.795 1.00 0.79 H new ATOM 0 HB ILE A 706 -15.115 1.141 3.221 1.00 0.83 H new ATOM 0 HG12 ILE A 706 -14.795 0.511 0.262 1.00 1.18 H new ATOM 0 HG13 ILE A 706 -13.489 0.505 1.431 1.00 1.18 H new ATOM 0 HG21 ILE A 706 -17.138 0.191 2.195 1.00 1.43 H new ATOM 0 HG22 ILE A 706 -17.353 1.911 2.597 1.00 1.43 H new ATOM 0 HG23 ILE A 706 -17.063 1.421 0.911 1.00 1.43 H new ATOM 0 HD11 ILE A 706 -14.290 -1.762 0.999 1.00 1.75 H new ATOM 0 HD12 ILE A 706 -14.606 -1.298 2.688 1.00 1.75 H new ATOM 0 HD13 ILE A 706 -15.932 -1.292 1.501 1.00 1.75 H new ATOM 1435 N LEU A 707 -15.084 3.885 3.974 1.00 0.99 N ATOM 1436 CA LEU A 707 -15.661 4.805 4.952 1.00 1.22 C ATOM 1437 C LEU A 707 -15.608 6.245 4.461 1.00 1.39 C ATOM 1438 O LEU A 707 -16.528 7.023 4.701 1.00 1.62 O ATOM 1439 CB LEU A 707 -14.932 4.693 6.296 1.00 1.24 C ATOM 1440 CG LEU A 707 -15.191 3.408 7.081 1.00 1.44 C ATOM 1441 CD1 LEU A 707 -14.346 3.380 8.344 1.00 1.86 C ATOM 1442 CD2 LEU A 707 -16.666 3.286 7.428 1.00 1.79 C ATOM 0 H LEU A 707 -14.289 3.349 4.322 1.00 0.99 H new ATOM 0 HA LEU A 707 -16.706 4.524 5.085 1.00 1.22 H new ATOM 0 HB2 LEU A 707 -13.860 4.778 6.116 1.00 1.24 H new ATOM 0 HB3 LEU A 707 -15.219 5.541 6.917 1.00 1.24 H new ATOM 0 HG LEU A 707 -14.911 2.559 6.457 1.00 1.44 H new ATOM 0 HD11 LEU A 707 -14.542 2.459 8.892 1.00 1.86 H new ATOM 0 HD12 LEU A 707 -13.290 3.426 8.077 1.00 1.86 H new ATOM 0 HD13 LEU A 707 -14.599 4.236 8.970 1.00 1.86 H new ATOM 0 HD21 LEU A 707 -16.833 2.365 7.987 1.00 1.79 H new ATOM 0 HD22 LEU A 707 -16.969 4.139 8.035 1.00 1.79 H new ATOM 0 HD23 LEU A 707 -17.255 3.266 6.511 1.00 1.79 H new ATOM 1454 N LYS A 708 -14.531 6.595 3.765 1.00 1.36 N ATOM 1455 CA LYS A 708 -14.357 7.952 3.262 1.00 1.61 C ATOM 1456 C LYS A 708 -15.433 8.309 2.240 1.00 1.71 C ATOM 1457 O LYS A 708 -16.007 9.397 2.281 1.00 1.96 O ATOM 1458 CB LYS A 708 -12.970 8.126 2.643 1.00 1.69 C ATOM 1459 CG LYS A 708 -12.743 9.515 2.071 1.00 1.91 C ATOM 1460 CD LYS A 708 -11.307 9.715 1.625 1.00 2.31 C ATOM 1461 CE LYS A 708 -11.080 11.134 1.131 1.00 3.09 C ATOM 1462 NZ LYS A 708 -11.559 12.146 2.112 1.00 3.45 N ATOM 0 H LYS A 708 -13.767 5.959 3.537 1.00 1.36 H new ATOM 0 HA LYS A 708 -14.453 8.630 4.110 1.00 1.61 H new ATOM 0 HB2 LYS A 708 -12.213 7.923 3.400 1.00 1.69 H new ATOM 0 HB3 LYS A 708 -12.836 7.388 1.852 1.00 1.69 H new ATOM 0 HG2 LYS A 708 -13.411 9.673 1.225 1.00 1.91 H new ATOM 0 HG3 LYS A 708 -12.998 10.263 2.822 1.00 1.91 H new ATOM 0 HD2 LYS A 708 -10.632 9.503 2.455 1.00 2.31 H new ATOM 0 HD3 LYS A 708 -11.068 9.008 0.831 1.00 2.31 H new ATOM 0 HE2 LYS A 708 -10.018 11.287 0.941 1.00 3.09 H new ATOM 0 HE3 LYS A 708 -11.597 11.275 0.182 1.00 3.09 H new ATOM 0 HZ1 LYS A 708 -11.127 13.068 1.899 1.00 3.45 H new ATOM 0 HZ2 LYS A 708 -12.594 12.226 2.051 1.00 3.45 H new ATOM 0 HZ3 LYS A 708 -11.291 11.852 3.073 1.00 3.45 H new ATOM 1476 N LYS A 709 -15.710 7.390 1.326 1.00 1.59 N ATOM 1477 CA LYS A 709 -16.699 7.635 0.286 1.00 1.75 C ATOM 1478 C LYS A 709 -18.114 7.527 0.854 1.00 1.84 C ATOM 1479 O LYS A 709 -19.044 8.175 0.367 1.00 2.04 O ATOM 1480 CB LYS A 709 -16.495 6.669 -0.886 1.00 1.78 C ATOM 1481 CG LYS A 709 -17.475 6.875 -2.031 1.00 1.96 C ATOM 1482 CD LYS A 709 -16.810 6.668 -3.384 1.00 2.22 C ATOM 1483 CE LYS A 709 -16.097 5.327 -3.469 1.00 2.67 C ATOM 1484 NZ LYS A 709 -15.406 5.146 -4.774 1.00 2.96 N ATOM 0 H LYS A 709 -15.266 6.472 1.283 1.00 1.59 H new ATOM 0 HA LYS A 709 -16.567 8.650 -0.089 1.00 1.75 H new ATOM 0 HB2 LYS A 709 -15.479 6.782 -1.265 1.00 1.78 H new ATOM 0 HB3 LYS A 709 -16.587 5.646 -0.521 1.00 1.78 H new ATOM 0 HG2 LYS A 709 -18.309 6.181 -1.925 1.00 1.96 H new ATOM 0 HG3 LYS A 709 -17.889 7.882 -1.979 1.00 1.96 H new ATOM 0 HD2 LYS A 709 -17.562 6.729 -4.171 1.00 2.22 H new ATOM 0 HD3 LYS A 709 -16.095 7.471 -3.563 1.00 2.22 H new ATOM 0 HE2 LYS A 709 -15.370 5.251 -2.660 1.00 2.67 H new ATOM 0 HE3 LYS A 709 -16.819 4.523 -3.326 1.00 2.67 H new ATOM 0 HZ1 LYS A 709 -14.516 4.628 -4.627 1.00 2.96 H new ATOM 0 HZ2 LYS A 709 -16.018 4.606 -5.419 1.00 2.96 H new ATOM 0 HZ3 LYS A 709 -15.200 6.077 -5.190 1.00 2.96 H new ATOM 1498 N LYS A 710 -18.268 6.718 1.899 1.00 1.77 N ATOM 1499 CA LYS A 710 -19.552 6.588 2.580 1.00 1.96 C ATOM 1500 C LYS A 710 -19.808 7.817 3.453 1.00 2.10 C ATOM 1501 O LYS A 710 -20.946 8.139 3.777 1.00 2.31 O ATOM 1502 CB LYS A 710 -19.588 5.309 3.423 1.00 1.90 C ATOM 1503 CG LYS A 710 -20.934 5.053 4.083 1.00 2.40 C ATOM 1504 CD LYS A 710 -20.969 3.708 4.788 1.00 2.55 C ATOM 1505 CE LYS A 710 -22.313 3.481 5.462 1.00 3.16 C ATOM 1506 NZ LYS A 710 -22.409 2.140 6.095 1.00 3.66 N ATOM 0 H LYS A 710 -17.522 6.144 2.291 1.00 1.77 H new ATOM 0 HA LYS A 710 -20.341 6.521 1.831 1.00 1.96 H new ATOM 0 HB2 LYS A 710 -19.336 4.459 2.789 1.00 1.90 H new ATOM 0 HB3 LYS A 710 -18.820 5.370 4.194 1.00 1.90 H new ATOM 0 HG2 LYS A 710 -21.143 5.846 4.801 1.00 2.40 H new ATOM 0 HG3 LYS A 710 -21.721 5.089 3.330 1.00 2.40 H new ATOM 0 HD2 LYS A 710 -20.780 2.911 4.069 1.00 2.55 H new ATOM 0 HD3 LYS A 710 -20.173 3.662 5.531 1.00 2.55 H new ATOM 0 HE2 LYS A 710 -22.471 4.249 6.219 1.00 3.16 H new ATOM 0 HE3 LYS A 710 -23.109 3.590 4.725 1.00 3.16 H new ATOM 0 HZ1 LYS A 710 -23.342 2.033 6.541 1.00 3.66 H new ATOM 0 HZ2 LYS A 710 -22.285 1.404 5.370 1.00 3.66 H new ATOM 0 HZ3 LYS A 710 -21.667 2.043 6.817 1.00 3.66 H new ATOM 1520 N GLN A 711 -18.735 8.503 3.822 1.00 2.06 N ATOM 1521 CA GLN A 711 -18.834 9.745 4.581 1.00 2.30 C ATOM 1522 C GLN A 711 -19.501 10.827 3.735 1.00 2.41 C ATOM 1523 O GLN A 711 -20.086 11.770 4.262 1.00 2.60 O ATOM 1524 CB GLN A 711 -17.433 10.195 5.022 1.00 2.35 C ATOM 1525 CG GLN A 711 -17.410 11.483 5.834 1.00 2.85 C ATOM 1526 CD GLN A 711 -16.003 11.903 6.220 1.00 2.83 C ATOM 1527 OE1 GLN A 711 -15.039 11.632 5.498 1.00 3.24 O ATOM 1528 NE2 GLN A 711 -15.875 12.571 7.357 1.00 3.08 N ATOM 0 H GLN A 711 -17.779 8.219 3.607 1.00 2.06 H new ATOM 0 HA GLN A 711 -19.445 9.576 5.467 1.00 2.30 H new ATOM 0 HB2 GLN A 711 -16.979 9.400 5.613 1.00 2.35 H new ATOM 0 HB3 GLN A 711 -16.812 10.328 4.136 1.00 2.35 H new ATOM 0 HG2 GLN A 711 -17.878 12.281 5.257 1.00 2.85 H new ATOM 0 HG3 GLN A 711 -18.006 11.350 6.737 1.00 2.85 H new ATOM 0 HE21 GLN A 711 -16.698 12.774 7.924 1.00 3.08 H new ATOM 0 HE22 GLN A 711 -14.954 12.882 7.665 1.00 3.08 H new ATOM 1537 N LYS A 712 -19.426 10.672 2.418 1.00 2.33 N ATOM 1538 CA LYS A 712 -20.015 11.636 1.501 1.00 2.48 C ATOM 1539 C LYS A 712 -21.492 11.336 1.304 1.00 2.58 C ATOM 1540 O LYS A 712 -22.302 12.237 1.094 1.00 2.73 O ATOM 1541 CB LYS A 712 -19.293 11.604 0.155 1.00 2.48 C ATOM 1542 CG LYS A 712 -17.806 11.892 0.255 1.00 2.81 C ATOM 1543 CD LYS A 712 -17.162 11.965 -1.117 1.00 3.09 C ATOM 1544 CE LYS A 712 -15.675 12.251 -1.017 1.00 3.70 C ATOM 1545 NZ LYS A 712 -15.061 12.444 -2.356 1.00 3.99 N ATOM 0 H LYS A 712 -18.962 9.886 1.963 1.00 2.33 H new ATOM 0 HA LYS A 712 -19.908 12.632 1.931 1.00 2.48 H new ATOM 0 HB2 LYS A 712 -19.435 10.624 -0.300 1.00 2.48 H new ATOM 0 HB3 LYS A 712 -19.752 12.334 -0.511 1.00 2.48 H new ATOM 0 HG2 LYS A 712 -17.651 12.834 0.782 1.00 2.81 H new ATOM 0 HG3 LYS A 712 -17.322 11.113 0.845 1.00 2.81 H new ATOM 0 HD2 LYS A 712 -17.318 11.024 -1.644 1.00 3.09 H new ATOM 0 HD3 LYS A 712 -17.645 12.745 -1.706 1.00 3.09 H new ATOM 0 HE2 LYS A 712 -15.516 13.143 -0.412 1.00 3.70 H new ATOM 0 HE3 LYS A 712 -15.179 11.426 -0.505 1.00 3.70 H new ATOM 0 HZ1 LYS A 712 -14.045 12.637 -2.247 1.00 3.99 H new ATOM 0 HZ2 LYS A 712 -15.191 11.583 -2.925 1.00 3.99 H new ATOM 0 HZ3 LYS A 712 -15.517 13.247 -2.834 1.00 3.99 H new ATOM 1559 N LYS A 713 -21.832 10.058 1.382 1.00 2.59 N ATOM 1560 CA LYS A 713 -23.214 9.617 1.244 1.00 2.82 C ATOM 1561 C LYS A 713 -23.542 8.610 2.335 1.00 2.96 C ATOM 1562 O LYS A 713 -23.422 7.403 2.124 1.00 3.27 O ATOM 1563 CB LYS A 713 -23.461 8.977 -0.127 1.00 2.96 C ATOM 1564 CG LYS A 713 -23.031 9.828 -1.314 1.00 2.84 C ATOM 1565 CD LYS A 713 -23.527 9.247 -2.630 1.00 3.24 C ATOM 1566 CE LYS A 713 -23.140 7.781 -2.784 1.00 3.92 C ATOM 1567 NZ LYS A 713 -21.666 7.582 -2.809 1.00 4.32 N ATOM 0 H LYS A 713 -21.165 9.303 1.541 1.00 2.59 H new ATOM 0 HA LYS A 713 -23.857 10.492 1.336 1.00 2.82 H new ATOM 0 HB2 LYS A 713 -22.931 8.025 -0.169 1.00 2.96 H new ATOM 0 HB3 LYS A 713 -24.524 8.755 -0.223 1.00 2.96 H new ATOM 0 HG2 LYS A 713 -23.416 10.841 -1.195 1.00 2.84 H new ATOM 0 HG3 LYS A 713 -21.944 9.901 -1.335 1.00 2.84 H new ATOM 0 HD2 LYS A 713 -24.611 9.344 -2.684 1.00 3.24 H new ATOM 0 HD3 LYS A 713 -23.114 9.821 -3.459 1.00 3.24 H new ATOM 0 HE2 LYS A 713 -23.567 7.207 -1.962 1.00 3.92 H new ATOM 0 HE3 LYS A 713 -23.572 7.389 -3.705 1.00 3.92 H new ATOM 0 HZ1 LYS A 713 -21.454 6.576 -2.966 1.00 4.32 H new ATOM 0 HZ2 LYS A 713 -21.252 8.147 -3.578 1.00 4.32 H new ATOM 0 HZ3 LYS A 713 -21.260 7.883 -1.900 1.00 4.32 H new ATOM 1581 N ALA A 714 -23.941 9.108 3.500 1.00 2.93 N ATOM 1582 CA ALA A 714 -24.221 8.249 4.646 1.00 3.15 C ATOM 1583 C ALA A 714 -25.323 7.243 4.328 1.00 3.81 C ATOM 1584 O ALA A 714 -25.244 6.077 4.720 1.00 4.20 O ATOM 1585 CB ALA A 714 -24.591 9.093 5.855 1.00 3.12 C ATOM 0 H ALA A 714 -24.078 10.103 3.676 1.00 2.93 H new ATOM 0 HA ALA A 714 -23.318 7.684 4.878 1.00 3.15 H new ATOM 0 HB1 ALA A 714 -24.798 8.441 6.704 1.00 3.12 H new ATOM 0 HB2 ALA A 714 -23.763 9.758 6.101 1.00 3.12 H new ATOM 0 HB3 ALA A 714 -25.477 9.685 5.628 1.00 3.12 H new TER 1591 ALA A 714