USER MOD reduce.3.24.130724 H: found=0, std=0, add=1110, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1110 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 596 GLN : amide:sc= -3.53 K(o=-3.5,f=-5.5!) USER MOD Set 1.2: A 700 THR OG1 : rot 158:sc= 0.0227 USER MOD Set 2.1: A 654 THR OG1 : rot -44:sc= 0.443 USER MOD Set 2.2: A 666 GLN :FLIP amide:sc= 0.408 F(o=0.029,f=0.85) USER MOD Set 3.1: A 622 HIS : no HD1:sc= -9.77! C(o=-49!,f=-54!) USER MOD Set 3.2: A 623 CYS SG : rot 120:sc= -6.79! USER MOD Set 3.3: A 649 TYR OH : rot 130:sc= -1.08 USER MOD Set 3.4: A 651 HIS :FLIP no HE2:sc= -15.5! C(o=-50!,f=-49!) USER MOD Set 3.5: A 655 ASN : amide:sc= -5.18! C(o=-49!,f=-57!) USER MOD Set 3.6: A 657 SER OG : rot 160:sc= -6.65! USER MOD Set 3.7: A 664 MET CE :methyl 150:sc= -2.69 (180deg=-5.67!) USER MOD Set 3.8: A 668 THR OG1 : rot -74:sc= -0.969 USER MOD Single : A 579 THR OG1 : rot 180:sc= 0 USER MOD Single : A 581 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 586 SER OG : rot -148:sc= -1.59! USER MOD Single : A 589 GLN :FLIP amide:sc= -1.13 F(o=-5.1,f=-1.1) USER MOD Single : A 591 SER OG : rot 180:sc= 0 USER MOD Single : A 595 GLN : amide:sc= -0.332 X(o=-0.33,f=0) USER MOD Single : A 599 ASN : amide:sc= -2.89! C(o=-2.9!,f=-15!) USER MOD Single : A 606 SER OG : rot -170:sc= -0.302 USER MOD Single : A 609 CYS SG : rot -172:sc= -0.744 USER MOD Single : A 610 ASN :FLIP amide:sc= -0.385! C(o=-2.6!,f=-0.38!) USER MOD Single : A 611 CYS SG : rot 180:sc= -6.69! USER MOD Single : A 612 LYS NZ :NH3+ -116:sc= 0.824 (180deg=-0.0948) USER MOD Single : A 616 ASN : amide:sc= 0.0866 K(o=0.087,f=-1.4) USER MOD Single : A 619 SER OG : rot 180:sc= 0 USER MOD Single : A 627 LYS NZ :NH3+ 132:sc= -0.71 (180deg=-1.41) USER MOD Single : A 628 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 630 HIS : no HD1:sc= -6.81! C(o=-6.8!,f=-11!) USER MOD Single : A 650 CYS SG : rot 180:sc= -1.22 USER MOD Single : A 652 THR OG1 : rot 140:sc= -0.955! USER MOD Single : A 658 TYR OH : rot 180:sc= -0.859 USER MOD Single : A 660 ASN : amide:sc= -0.504 X(o=-0.5,f=-0.49) USER MOD Single : A 661 ASN :FLIP amide:sc= -0.277! F(o=-0.98,f=-0.28!) USER MOD Single : A 662 ASN : amide:sc= -1.29 K(o=-1.3,f=-5!) USER MOD Single : A 669 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 673 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 679 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 684 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 685 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 686 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 687 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 693 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 697 ASN : amide:sc= -0.0429 X(o=-0.043,f=0) USER MOD Single : A 699 THR OG1 : rot 61:sc= 1.07 USER MOD Single : A 704 ASN : amide:sc= 0.534 K(o=0.53,f=-0.26) USER MOD Single : A 718 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 719 GLN : amide:sc= -0.0314 K(o=-0.031,f=-3!) USER MOD Single : A 720 THR OG1 : rot 180:sc= 0.0106 USER MOD Single : A 724 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 728 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 729 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 29 N ARG A 576 -14.392 1.350 -12.583 1.00 0.53 N ATOM 30 CA ARG A 576 -13.525 0.531 -13.474 1.00 0.45 C ATOM 31 C ARG A 576 -12.665 1.452 -14.328 1.00 0.45 C ATOM 32 O ARG A 576 -13.153 2.210 -15.140 1.00 0.66 O ATOM 33 CB ARG A 576 -14.494 -0.288 -14.330 1.00 0.52 C ATOM 34 CG ARG A 576 -13.779 -0.817 -15.581 1.00 0.55 C ATOM 35 CD ARG A 576 -14.239 -2.247 -15.873 1.00 0.62 C ATOM 36 NE ARG A 576 -15.537 -2.095 -16.586 1.00 0.72 N ATOM 37 CZ ARG A 576 -15.835 -2.887 -17.580 1.00 0.93 C ATOM 38 NH1 ARG A 576 -15.095 -2.889 -18.655 1.00 1.38 N ATOM 39 NH2 ARG A 576 -16.870 -3.676 -17.498 1.00 1.48 N ATOM 0 HA ARG A 576 -12.843 -0.119 -12.927 1.00 0.45 H new ATOM 0 HB2 ARG A 576 -14.889 -1.121 -13.749 1.00 0.52 H new ATOM 0 HB3 ARG A 576 -15.344 0.329 -14.622 1.00 0.52 H new ATOM 0 HG2 ARG A 576 -13.995 -0.174 -16.434 1.00 0.55 H new ATOM 0 HG3 ARG A 576 -12.700 -0.796 -15.431 1.00 0.55 H new ATOM 0 HD2 ARG A 576 -13.511 -2.778 -16.486 1.00 0.62 H new ATOM 0 HD3 ARG A 576 -14.358 -2.819 -14.953 1.00 0.62 H new ATOM 0 HE ARG A 576 -16.195 -1.371 -16.297 1.00 0.72 H new ATOM 0 HH11 ARG A 576 -14.285 -2.272 -18.718 1.00 1.38 H new ATOM 0 HH12 ARG A 576 -15.327 -3.507 -19.432 1.00 1.38 H new ATOM 0 HH21 ARG A 576 -17.447 -3.674 -16.657 1.00 1.48 H new ATOM 0 HH22 ARG A 576 -17.102 -4.295 -18.275 1.00 1.48 H new ATOM 53 N PHE A 577 -11.386 1.395 -14.128 1.00 0.37 N ATOM 54 CA PHE A 577 -10.462 2.265 -14.896 1.00 0.41 C ATOM 55 C PHE A 577 -9.565 1.397 -15.770 1.00 0.35 C ATOM 56 O PHE A 577 -9.298 1.696 -16.918 1.00 0.39 O ATOM 57 CB PHE A 577 -9.674 2.982 -13.793 1.00 0.47 C ATOM 58 CG PHE A 577 -8.176 2.869 -13.981 1.00 0.46 C ATOM 59 CD1 PHE A 577 -7.521 3.695 -14.897 1.00 0.77 C ATOM 60 CD2 PHE A 577 -7.442 1.952 -13.217 1.00 0.67 C ATOM 61 CE1 PHE A 577 -6.134 3.606 -15.059 1.00 1.03 C ATOM 62 CE2 PHE A 577 -6.053 1.865 -13.374 1.00 0.93 C ATOM 63 CZ PHE A 577 -5.400 2.691 -14.295 1.00 1.03 C ATOM 0 H PHE A 577 -10.934 0.775 -13.456 1.00 0.37 H new ATOM 0 HA PHE A 577 -10.951 2.967 -15.572 1.00 0.41 H new ATOM 0 HB2 PHE A 577 -9.956 4.035 -13.776 1.00 0.47 H new ATOM 0 HB3 PHE A 577 -9.948 2.563 -12.825 1.00 0.47 H new ATOM 0 HD1 PHE A 577 -8.087 4.405 -15.482 1.00 0.77 H new ATOM 0 HD2 PHE A 577 -7.947 1.313 -12.508 1.00 0.67 H new ATOM 0 HE1 PHE A 577 -5.631 4.242 -15.772 1.00 1.03 H new ATOM 0 HE2 PHE A 577 -5.486 1.160 -12.784 1.00 0.93 H new ATOM 0 HZ PHE A 577 -4.329 2.623 -14.417 1.00 1.03 H new ATOM 73 N LEU A 578 -9.102 0.321 -15.213 1.00 0.29 N ATOM 74 CA LEU A 578 -8.211 -0.607 -15.975 1.00 0.25 C ATOM 75 C LEU A 578 -8.830 -2.003 -16.062 1.00 0.22 C ATOM 76 O LEU A 578 -9.212 -2.583 -15.065 1.00 0.30 O ATOM 77 CB LEU A 578 -6.915 -0.662 -15.170 1.00 0.29 C ATOM 78 CG LEU A 578 -5.889 -1.520 -15.910 1.00 0.63 C ATOM 79 CD1 LEU A 578 -4.487 -0.958 -15.668 1.00 1.04 C ATOM 80 CD2 LEU A 578 -5.959 -2.959 -15.394 1.00 1.18 C ATOM 0 H LEU A 578 -9.300 0.036 -14.254 1.00 0.29 H new ATOM 0 HA LEU A 578 -8.053 -0.265 -16.998 1.00 0.25 H new ATOM 0 HB2 LEU A 578 -6.524 0.345 -15.022 1.00 0.29 H new ATOM 0 HB3 LEU A 578 -7.107 -1.078 -14.181 1.00 0.29 H new ATOM 0 HG LEU A 578 -6.107 -1.507 -16.978 1.00 0.63 H new ATOM 0 HD11 LEU A 578 -3.754 -1.569 -16.195 1.00 1.04 H new ATOM 0 HD12 LEU A 578 -4.437 0.067 -16.036 1.00 1.04 H new ATOM 0 HD13 LEU A 578 -4.269 -0.971 -14.600 1.00 1.04 H new ATOM 0 HD21 LEU A 578 -5.227 -3.571 -15.922 1.00 1.18 H new ATOM 0 HD22 LEU A 578 -5.741 -2.974 -14.326 1.00 1.18 H new ATOM 0 HD23 LEU A 578 -6.958 -3.359 -15.566 1.00 1.18 H new ATOM 92 N THR A 579 -8.916 -2.554 -17.245 1.00 0.26 N ATOM 93 CA THR A 579 -9.492 -3.922 -17.383 1.00 0.23 C ATOM 94 C THR A 579 -8.370 -4.932 -17.619 1.00 0.23 C ATOM 95 O THR A 579 -7.684 -4.892 -18.622 1.00 0.24 O ATOM 96 CB THR A 579 -10.419 -3.869 -18.600 1.00 0.22 C ATOM 97 OG1 THR A 579 -11.384 -2.843 -18.413 1.00 0.25 O ATOM 98 CG2 THR A 579 -11.126 -5.220 -18.761 1.00 0.22 C ATOM 0 H THR A 579 -8.614 -2.118 -18.116 1.00 0.26 H new ATOM 0 HA THR A 579 -10.031 -4.227 -16.486 1.00 0.23 H new ATOM 0 HB THR A 579 -9.836 -3.658 -19.496 1.00 0.22 H new ATOM 0 HG1 THR A 579 -11.978 -2.806 -19.192 1.00 0.25 H new ATOM 0 HG21 THR A 579 -11.787 -5.184 -19.627 1.00 0.22 H new ATOM 0 HG22 THR A 579 -10.383 -6.005 -18.904 1.00 0.22 H new ATOM 0 HG23 THR A 579 -11.712 -5.433 -17.867 1.00 0.22 H new ATOM 106 N LEU A 580 -8.197 -5.851 -16.713 1.00 0.23 N ATOM 107 CA LEU A 580 -7.140 -6.884 -16.890 1.00 0.25 C ATOM 108 C LEU A 580 -7.769 -8.079 -17.581 1.00 0.21 C ATOM 109 O LEU A 580 -8.627 -8.734 -17.025 1.00 0.21 O ATOM 110 CB LEU A 580 -6.698 -7.257 -15.477 1.00 0.29 C ATOM 111 CG LEU A 580 -5.469 -6.439 -15.093 1.00 0.37 C ATOM 112 CD1 LEU A 580 -5.365 -6.378 -13.571 1.00 0.79 C ATOM 113 CD2 LEU A 580 -4.215 -7.103 -15.665 1.00 0.89 C ATOM 0 H LEU A 580 -8.743 -5.932 -15.855 1.00 0.23 H new ATOM 0 HA LEU A 580 -6.294 -6.542 -17.486 1.00 0.25 H new ATOM 0 HB2 LEU A 580 -7.507 -7.070 -14.771 1.00 0.29 H new ATOM 0 HB3 LEU A 580 -6.469 -8.322 -15.426 1.00 0.29 H new ATOM 0 HG LEU A 580 -5.558 -5.430 -15.496 1.00 0.37 H new ATOM 0 HD11 LEU A 580 -4.488 -5.795 -13.289 1.00 0.79 H new ATOM 0 HD12 LEU A 580 -6.260 -5.908 -13.164 1.00 0.79 H new ATOM 0 HD13 LEU A 580 -5.272 -7.388 -13.172 1.00 0.79 H new ATOM 0 HD21 LEU A 580 -3.337 -6.519 -15.391 1.00 0.89 H new ATOM 0 HD22 LEU A 580 -4.121 -8.111 -15.261 1.00 0.89 H new ATOM 0 HD23 LEU A 580 -4.293 -7.153 -16.751 1.00 0.89 H new ATOM 125 N LYS A 581 -7.391 -8.361 -18.794 1.00 0.22 N ATOM 126 CA LYS A 581 -8.037 -9.503 -19.485 1.00 0.22 C ATOM 127 C LYS A 581 -7.068 -10.655 -19.745 1.00 0.22 C ATOM 128 O LYS A 581 -6.326 -10.632 -20.707 1.00 0.25 O ATOM 129 CB LYS A 581 -8.511 -8.917 -20.817 1.00 0.25 C ATOM 130 CG LYS A 581 -10.010 -8.610 -20.749 1.00 0.39 C ATOM 131 CD LYS A 581 -10.775 -9.598 -21.635 1.00 0.30 C ATOM 132 CE LYS A 581 -12.043 -8.929 -22.169 1.00 0.65 C ATOM 133 NZ LYS A 581 -12.315 -9.604 -23.469 1.00 0.93 N ATOM 0 H LYS A 581 -6.678 -7.862 -19.326 1.00 0.22 H new ATOM 0 HA LYS A 581 -8.839 -9.924 -18.879 1.00 0.22 H new ATOM 0 HB2 LYS A 581 -7.955 -8.007 -21.042 1.00 0.25 H new ATOM 0 HB3 LYS A 581 -8.312 -9.621 -21.625 1.00 0.25 H new ATOM 0 HG2 LYS A 581 -10.360 -8.682 -19.719 1.00 0.39 H new ATOM 0 HG3 LYS A 581 -10.198 -7.588 -21.079 1.00 0.39 H new ATOM 0 HD2 LYS A 581 -10.146 -9.922 -22.464 1.00 0.30 H new ATOM 0 HD3 LYS A 581 -11.034 -10.489 -21.064 1.00 0.30 H new ATOM 0 HE2 LYS A 581 -12.876 -9.053 -21.477 1.00 0.65 H new ATOM 0 HE3 LYS A 581 -11.897 -7.857 -22.303 1.00 0.65 H new ATOM 0 HZ1 LYS A 581 -13.172 -9.199 -23.898 1.00 0.93 H new ATOM 0 HZ2 LYS A 581 -11.508 -9.463 -24.109 1.00 0.93 H new ATOM 0 HZ3 LYS A 581 -12.456 -10.622 -23.309 1.00 0.93 H new ATOM 147 N PRO A 582 -7.178 -11.676 -18.935 1.00 0.22 N ATOM 148 CA PRO A 582 -6.377 -12.892 -19.157 1.00 0.23 C ATOM 149 C PRO A 582 -7.062 -13.639 -20.295 1.00 0.20 C ATOM 150 O PRO A 582 -8.272 -13.591 -20.414 1.00 0.19 O ATOM 151 CB PRO A 582 -6.474 -13.648 -17.840 1.00 0.25 C ATOM 152 CG PRO A 582 -7.743 -13.171 -17.208 1.00 0.24 C ATOM 153 CD PRO A 582 -8.029 -11.784 -17.747 1.00 0.22 C ATOM 0 HA PRO A 582 -5.332 -12.732 -19.423 1.00 0.23 H new ATOM 0 HB2 PRO A 582 -6.497 -14.725 -18.005 1.00 0.25 H new ATOM 0 HB3 PRO A 582 -5.614 -13.441 -17.203 1.00 0.25 H new ATOM 0 HG2 PRO A 582 -8.565 -13.849 -17.439 1.00 0.24 H new ATOM 0 HG3 PRO A 582 -7.645 -13.148 -16.123 1.00 0.24 H new ATOM 0 HD2 PRO A 582 -9.083 -11.665 -18.000 1.00 0.22 H new ATOM 0 HD3 PRO A 582 -7.788 -11.014 -17.014 1.00 0.22 H new ATOM 161 N LEU A 583 -6.334 -14.267 -21.170 1.00 0.21 N ATOM 162 CA LEU A 583 -7.025 -14.921 -22.326 1.00 0.21 C ATOM 163 C LEU A 583 -6.753 -16.430 -22.440 1.00 0.27 C ATOM 164 O LEU A 583 -6.096 -17.019 -21.607 1.00 0.29 O ATOM 165 CB LEU A 583 -6.527 -14.184 -23.578 1.00 0.24 C ATOM 166 CG LEU A 583 -5.544 -13.063 -23.234 1.00 0.35 C ATOM 167 CD1 LEU A 583 -4.143 -13.652 -23.076 1.00 0.88 C ATOM 168 CD2 LEU A 583 -5.536 -12.041 -24.372 1.00 1.10 C ATOM 0 H LEU A 583 -5.318 -14.359 -21.144 1.00 0.21 H new ATOM 0 HA LEU A 583 -8.105 -14.848 -22.195 1.00 0.21 H new ATOM 0 HB2 LEU A 583 -6.045 -14.895 -24.249 1.00 0.24 H new ATOM 0 HB3 LEU A 583 -7.379 -13.766 -24.115 1.00 0.24 H new ATOM 0 HG LEU A 583 -5.844 -12.580 -22.304 1.00 0.35 H new ATOM 0 HD11 LEU A 583 -3.439 -12.856 -22.831 1.00 0.88 H new ATOM 0 HD12 LEU A 583 -4.148 -14.392 -22.276 1.00 0.88 H new ATOM 0 HD13 LEU A 583 -3.841 -14.128 -24.009 1.00 0.88 H new ATOM 0 HD21 LEU A 583 -4.838 -11.238 -24.135 1.00 1.10 H new ATOM 0 HD22 LEU A 583 -5.228 -12.529 -25.297 1.00 1.10 H new ATOM 0 HD23 LEU A 583 -6.537 -11.627 -24.496 1.00 1.10 H new ATOM 180 N PRO A 584 -7.316 -17.006 -23.485 1.00 0.32 N ATOM 181 CA PRO A 584 -7.195 -18.468 -23.732 1.00 0.41 C ATOM 182 C PRO A 584 -5.759 -18.869 -24.064 1.00 0.46 C ATOM 183 O PRO A 584 -5.309 -19.926 -23.667 1.00 0.51 O ATOM 184 CB PRO A 584 -8.146 -18.722 -24.901 1.00 0.51 C ATOM 185 CG PRO A 584 -8.272 -17.405 -25.592 1.00 0.47 C ATOM 186 CD PRO A 584 -8.100 -16.342 -24.538 1.00 0.33 C ATOM 0 HA PRO A 584 -7.449 -19.063 -22.855 1.00 0.41 H new ATOM 0 HB2 PRO A 584 -7.750 -19.484 -25.573 1.00 0.51 H new ATOM 0 HB3 PRO A 584 -9.115 -19.078 -24.551 1.00 0.51 H new ATOM 0 HG2 PRO A 584 -7.516 -17.303 -26.371 1.00 0.47 H new ATOM 0 HG3 PRO A 584 -9.244 -17.315 -26.077 1.00 0.47 H new ATOM 0 HD2 PRO A 584 -7.579 -15.470 -24.933 1.00 0.33 H new ATOM 0 HD3 PRO A 584 -9.062 -15.995 -24.160 1.00 0.33 H new ATOM 194 N ASP A 585 -5.013 -18.039 -24.752 1.00 0.47 N ATOM 195 CA ASP A 585 -3.596 -18.419 -25.039 1.00 0.57 C ATOM 196 C ASP A 585 -2.909 -18.645 -23.695 1.00 0.57 C ATOM 197 O ASP A 585 -2.014 -19.454 -23.555 1.00 0.67 O ATOM 198 CB ASP A 585 -2.979 -17.225 -25.768 1.00 0.59 C ATOM 199 CG ASP A 585 -3.798 -16.904 -27.020 1.00 0.74 C ATOM 200 OD1 ASP A 585 -3.763 -17.697 -27.946 1.00 1.42 O ATOM 201 OD2 ASP A 585 -4.446 -15.870 -27.031 1.00 1.38 O ATOM 0 H ASP A 585 -5.315 -17.136 -25.119 1.00 0.47 H new ATOM 0 HA ASP A 585 -3.500 -19.320 -25.644 1.00 0.57 H new ATOM 0 HB2 ASP A 585 -2.952 -16.358 -25.108 1.00 0.59 H new ATOM 0 HB3 ASP A 585 -1.948 -17.448 -26.044 1.00 0.59 H new ATOM 206 N SER A 586 -3.378 -17.947 -22.697 1.00 0.47 N ATOM 207 CA SER A 586 -2.838 -18.105 -21.328 1.00 0.50 C ATOM 208 C SER A 586 -3.729 -19.083 -20.569 1.00 0.43 C ATOM 209 O SER A 586 -4.912 -19.177 -20.832 1.00 0.37 O ATOM 210 CB SER A 586 -2.932 -16.708 -20.720 1.00 0.51 C ATOM 211 OG SER A 586 -2.946 -16.806 -19.303 1.00 1.16 O ATOM 0 H SER A 586 -4.128 -17.261 -22.781 1.00 0.47 H new ATOM 0 HA SER A 586 -1.818 -18.489 -21.299 1.00 0.50 H new ATOM 0 HB2 SER A 586 -2.087 -16.101 -21.044 1.00 0.51 H new ATOM 0 HB3 SER A 586 -3.836 -16.208 -21.069 1.00 0.51 H new ATOM 0 HG SER A 586 -3.485 -16.077 -18.930 1.00 1.16 H new ATOM 217 N ILE A 587 -3.192 -19.804 -19.626 1.00 0.49 N ATOM 218 CA ILE A 587 -4.048 -20.757 -18.864 1.00 0.46 C ATOM 219 C ILE A 587 -5.215 -19.988 -18.209 1.00 0.37 C ATOM 220 O ILE A 587 -6.202 -20.568 -17.800 1.00 0.37 O ATOM 221 CB ILE A 587 -3.107 -21.404 -17.833 1.00 0.56 C ATOM 222 CG1 ILE A 587 -3.469 -22.881 -17.677 1.00 1.02 C ATOM 223 CG2 ILE A 587 -3.219 -20.708 -16.476 1.00 1.12 C ATOM 224 CD1 ILE A 587 -2.614 -23.714 -18.633 1.00 1.29 C ATOM 0 H ILE A 587 -2.210 -19.777 -19.351 1.00 0.49 H new ATOM 0 HA ILE A 587 -4.508 -21.524 -19.488 1.00 0.46 H new ATOM 0 HB ILE A 587 -2.081 -21.303 -18.188 1.00 0.56 H new ATOM 0 HG12 ILE A 587 -3.303 -23.202 -16.649 1.00 1.02 H new ATOM 0 HG13 ILE A 587 -4.527 -23.033 -17.891 1.00 1.02 H new ATOM 0 HG21 ILE A 587 -2.544 -21.185 -15.766 1.00 1.12 H new ATOM 0 HG22 ILE A 587 -2.950 -19.657 -16.583 1.00 1.12 H new ATOM 0 HG23 ILE A 587 -4.243 -20.785 -16.111 1.00 1.12 H new ATOM 0 HD11 ILE A 587 -2.869 -24.768 -18.525 1.00 1.29 H new ATOM 0 HD12 ILE A 587 -2.803 -23.398 -19.659 1.00 1.29 H new ATOM 0 HD13 ILE A 587 -1.560 -23.570 -18.397 1.00 1.29 H new ATOM 236 N ILE A 588 -5.108 -18.681 -18.131 1.00 0.38 N ATOM 237 CA ILE A 588 -6.207 -17.855 -17.532 1.00 0.40 C ATOM 238 C ILE A 588 -7.074 -17.271 -18.663 1.00 0.32 C ATOM 239 O ILE A 588 -6.607 -16.457 -19.432 1.00 0.40 O ATOM 240 CB ILE A 588 -5.482 -16.725 -16.814 1.00 0.65 C ATOM 241 CG1 ILE A 588 -4.371 -17.313 -15.946 1.00 1.58 C ATOM 242 CG2 ILE A 588 -6.477 -15.978 -15.925 1.00 0.64 C ATOM 243 CD1 ILE A 588 -4.886 -18.560 -15.228 1.00 1.66 C ATOM 0 H ILE A 588 -4.302 -18.148 -18.458 1.00 0.38 H new ATOM 0 HA ILE A 588 -6.855 -18.427 -16.868 1.00 0.40 H new ATOM 0 HB ILE A 588 -5.052 -16.038 -17.543 1.00 0.65 H new ATOM 0 HG12 ILE A 588 -3.509 -17.567 -16.563 1.00 1.58 H new ATOM 0 HG13 ILE A 588 -4.035 -16.575 -15.218 1.00 1.58 H new ATOM 0 HG21 ILE A 588 -5.965 -15.167 -15.407 1.00 0.64 H new ATOM 0 HG22 ILE A 588 -7.278 -15.567 -16.540 1.00 0.64 H new ATOM 0 HG23 ILE A 588 -6.899 -16.666 -15.193 1.00 0.64 H new ATOM 0 HD11 ILE A 588 -4.092 -18.978 -14.609 1.00 1.66 H new ATOM 0 HD12 ILE A 588 -5.734 -18.293 -14.598 1.00 1.66 H new ATOM 0 HD13 ILE A 588 -5.200 -19.300 -15.964 1.00 1.66 H new ATOM 255 N GLN A 589 -8.321 -17.654 -18.771 1.00 0.29 N ATOM 256 CA GLN A 589 -9.182 -17.083 -19.868 1.00 0.28 C ATOM 257 C GLN A 589 -10.411 -16.418 -19.257 1.00 0.26 C ATOM 258 O GLN A 589 -11.529 -16.882 -19.374 1.00 0.29 O ATOM 259 CB GLN A 589 -9.582 -18.256 -20.779 1.00 0.37 C ATOM 260 CG GLN A 589 -9.778 -19.538 -19.960 1.00 0.92 C ATOM 261 CD GLN A 589 -8.515 -20.384 -19.981 1.00 0.71 C ATOM 262 OE1 GLN A 589 -7.378 -19.837 -20.265 1.00 1.29 O flip ATOM 263 NE2 GLN A 589 -8.567 -21.572 -19.732 1.00 0.71 N flip ATOM 0 H GLN A 589 -8.781 -18.328 -18.159 1.00 0.29 H new ATOM 0 HA GLN A 589 -8.651 -16.325 -20.444 1.00 0.28 H new ATOM 0 HB2 GLN A 589 -10.503 -18.013 -21.309 1.00 0.37 H new ATOM 0 HB3 GLN A 589 -8.812 -18.415 -21.534 1.00 0.37 H new ATOM 0 HG2 GLN A 589 -10.035 -19.283 -18.932 1.00 0.92 H new ATOM 0 HG3 GLN A 589 -10.613 -20.111 -20.365 1.00 0.92 H new ATOM 0 HE21 GLN A 589 -9.462 -22.007 -19.508 1.00 0.71 H new ATOM 0 HE22 GLN A 589 -7.716 -22.134 -19.747 1.00 0.71 H new ATOM 272 N GLU A 590 -10.176 -15.335 -18.594 1.00 0.23 N ATOM 273 CA GLU A 590 -11.269 -14.569 -17.920 1.00 0.23 C ATOM 274 C GLU A 590 -10.983 -13.078 -18.050 1.00 0.20 C ATOM 275 O GLU A 590 -9.958 -12.707 -18.557 1.00 0.19 O ATOM 276 CB GLU A 590 -11.219 -15.005 -16.455 1.00 0.26 C ATOM 277 CG GLU A 590 -11.852 -16.389 -16.311 1.00 0.96 C ATOM 278 CD GLU A 590 -11.510 -16.968 -14.937 1.00 1.49 C ATOM 279 OE1 GLU A 590 -11.999 -16.438 -13.954 1.00 2.08 O ATOM 280 OE2 GLU A 590 -10.764 -17.932 -14.892 1.00 2.13 O ATOM 0 H GLU A 590 -9.247 -14.928 -18.482 1.00 0.23 H new ATOM 0 HA GLU A 590 -12.251 -14.756 -18.355 1.00 0.23 H new ATOM 0 HB2 GLU A 590 -10.186 -15.028 -16.107 1.00 0.26 H new ATOM 0 HB3 GLU A 590 -11.749 -14.285 -15.832 1.00 0.26 H new ATOM 0 HG2 GLU A 590 -12.933 -16.320 -16.429 1.00 0.96 H new ATOM 0 HG3 GLU A 590 -11.487 -17.051 -17.097 1.00 0.96 H new ATOM 287 N SER A 591 -11.855 -12.217 -17.597 1.00 0.20 N ATOM 288 CA SER A 591 -11.546 -10.753 -17.672 1.00 0.18 C ATOM 289 C SER A 591 -11.729 -10.110 -16.295 1.00 0.19 C ATOM 290 O SER A 591 -12.789 -10.176 -15.702 1.00 0.21 O ATOM 291 CB SER A 591 -12.506 -10.132 -18.676 1.00 0.20 C ATOM 292 OG SER A 591 -13.373 -11.128 -19.205 1.00 0.22 O ATOM 0 H SER A 591 -12.756 -12.456 -17.183 1.00 0.20 H new ATOM 0 HA SER A 591 -10.514 -10.592 -17.985 1.00 0.18 H new ATOM 0 HB2 SER A 591 -13.091 -9.348 -18.195 1.00 0.20 H new ATOM 0 HB3 SER A 591 -11.945 -9.661 -19.483 1.00 0.20 H new ATOM 0 HG SER A 591 -13.988 -10.718 -19.849 1.00 0.22 H new ATOM 298 N LEU A 592 -10.708 -9.474 -15.794 1.00 0.18 N ATOM 299 CA LEU A 592 -10.816 -8.804 -14.464 1.00 0.19 C ATOM 300 C LEU A 592 -10.744 -7.291 -14.652 1.00 0.16 C ATOM 301 O LEU A 592 -10.211 -6.808 -15.630 1.00 0.17 O ATOM 302 CB LEU A 592 -9.627 -9.302 -13.646 1.00 0.25 C ATOM 303 CG LEU A 592 -9.672 -10.831 -13.551 1.00 0.36 C ATOM 304 CD1 LEU A 592 -8.277 -11.403 -13.805 1.00 1.01 C ATOM 305 CD2 LEU A 592 -10.142 -11.242 -12.154 1.00 1.08 C ATOM 0 H LEU A 592 -9.799 -9.388 -16.248 1.00 0.18 H new ATOM 0 HA LEU A 592 -11.757 -9.031 -13.963 1.00 0.19 H new ATOM 0 HB2 LEU A 592 -8.694 -8.984 -14.111 1.00 0.25 H new ATOM 0 HB3 LEU A 592 -9.651 -8.865 -12.648 1.00 0.25 H new ATOM 0 HG LEU A 592 -10.364 -11.218 -14.298 1.00 0.36 H new ATOM 0 HD11 LEU A 592 -8.312 -12.490 -13.737 1.00 1.01 H new ATOM 0 HD12 LEU A 592 -7.940 -11.112 -14.800 1.00 1.01 H new ATOM 0 HD13 LEU A 592 -7.583 -11.015 -13.059 1.00 1.01 H new ATOM 0 HD21 LEU A 592 -10.174 -12.329 -12.086 1.00 1.08 H new ATOM 0 HD22 LEU A 592 -9.450 -10.852 -11.408 1.00 1.08 H new ATOM 0 HD23 LEU A 592 -11.138 -10.838 -11.971 1.00 1.08 H new ATOM 317 N GLU A 593 -11.287 -6.542 -13.740 1.00 0.16 N ATOM 318 CA GLU A 593 -11.257 -5.058 -13.885 1.00 0.15 C ATOM 319 C GLU A 593 -10.679 -4.384 -12.638 1.00 0.16 C ATOM 320 O GLU A 593 -11.283 -4.408 -11.582 1.00 0.18 O ATOM 321 CB GLU A 593 -12.719 -4.655 -14.078 1.00 0.18 C ATOM 322 CG GLU A 593 -13.273 -5.322 -15.339 1.00 0.28 C ATOM 323 CD GLU A 593 -13.839 -6.698 -14.982 1.00 0.96 C ATOM 324 OE1 GLU A 593 -14.557 -6.784 -14.000 1.00 1.62 O ATOM 325 OE2 GLU A 593 -13.545 -7.642 -15.698 1.00 1.67 O ATOM 0 H GLU A 593 -11.751 -6.888 -12.900 1.00 0.16 H new ATOM 0 HA GLU A 593 -10.623 -4.750 -14.716 1.00 0.15 H new ATOM 0 HB2 GLU A 593 -13.306 -4.952 -13.209 1.00 0.18 H new ATOM 0 HB3 GLU A 593 -12.800 -3.571 -14.162 1.00 0.18 H new ATOM 0 HG2 GLU A 593 -14.052 -4.700 -15.780 1.00 0.28 H new ATOM 0 HG3 GLU A 593 -12.485 -5.424 -16.086 1.00 0.28 H new ATOM 332 N ILE A 594 -9.537 -3.753 -12.747 1.00 0.17 N ATOM 333 CA ILE A 594 -8.978 -3.057 -11.553 1.00 0.19 C ATOM 334 C ILE A 594 -9.820 -1.811 -11.286 1.00 0.21 C ATOM 335 O ILE A 594 -9.793 -0.855 -12.036 1.00 0.23 O ATOM 336 CB ILE A 594 -7.531 -2.693 -11.914 1.00 0.21 C ATOM 337 CG1 ILE A 594 -6.648 -3.919 -11.665 1.00 0.26 C ATOM 338 CG2 ILE A 594 -7.050 -1.525 -11.038 1.00 0.22 C ATOM 339 CD1 ILE A 594 -5.167 -3.536 -11.756 1.00 0.47 C ATOM 0 H ILE A 594 -8.977 -3.691 -13.597 1.00 0.17 H new ATOM 0 HA ILE A 594 -8.995 -3.670 -10.652 1.00 0.19 H new ATOM 0 HB ILE A 594 -7.474 -2.393 -12.960 1.00 0.21 H new ATOM 0 HG12 ILE A 594 -6.863 -4.336 -10.681 1.00 0.26 H new ATOM 0 HG13 ILE A 594 -6.876 -4.694 -12.397 1.00 0.26 H new ATOM 0 HG21 ILE A 594 -6.023 -1.273 -11.300 1.00 0.22 H new ATOM 0 HG22 ILE A 594 -7.690 -0.658 -11.204 1.00 0.22 H new ATOM 0 HG23 ILE A 594 -7.096 -1.815 -9.988 1.00 0.22 H new ATOM 0 HD11 ILE A 594 -4.552 -4.418 -11.577 1.00 0.47 H new ATOM 0 HD12 ILE A 594 -4.954 -3.140 -12.749 1.00 0.47 H new ATOM 0 HD13 ILE A 594 -4.941 -2.777 -11.007 1.00 0.47 H new ATOM 351 N GLN A 595 -10.581 -1.829 -10.233 1.00 0.24 N ATOM 352 CA GLN A 595 -11.449 -0.658 -9.921 1.00 0.27 C ATOM 353 C GLN A 595 -10.601 0.599 -9.683 1.00 0.31 C ATOM 354 O GLN A 595 -9.946 0.724 -8.670 1.00 0.81 O ATOM 355 CB GLN A 595 -12.204 -1.046 -8.645 1.00 0.35 C ATOM 356 CG GLN A 595 -13.701 -0.782 -8.828 1.00 0.84 C ATOM 357 CD GLN A 595 -14.360 -2.001 -9.474 1.00 0.91 C ATOM 358 OE1 GLN A 595 -15.042 -2.759 -8.814 1.00 1.52 O ATOM 359 NE2 GLN A 595 -14.184 -2.223 -10.748 1.00 1.28 N ATOM 0 H GLN A 595 -10.642 -2.603 -9.572 1.00 0.24 H new ATOM 0 HA GLN A 595 -12.127 -0.426 -10.743 1.00 0.27 H new ATOM 0 HB2 GLN A 595 -12.036 -2.099 -8.418 1.00 0.35 H new ATOM 0 HB3 GLN A 595 -11.825 -0.473 -7.799 1.00 0.35 H new ATOM 0 HG2 GLN A 595 -14.165 -0.573 -7.864 1.00 0.84 H new ATOM 0 HG3 GLN A 595 -13.852 0.099 -9.452 1.00 0.84 H new ATOM 0 HE21 GLN A 595 -13.611 -1.586 -11.302 1.00 1.28 H new ATOM 0 HE22 GLN A 595 -14.619 -3.033 -11.189 1.00 1.28 H new ATOM 368 N GLN A 596 -10.629 1.528 -10.617 1.00 0.43 N ATOM 369 CA GLN A 596 -9.855 2.812 -10.495 1.00 0.37 C ATOM 370 C GLN A 596 -9.294 3.018 -9.089 1.00 0.54 C ATOM 371 O GLN A 596 -9.911 3.643 -8.248 1.00 0.74 O ATOM 372 CB GLN A 596 -10.879 3.900 -10.819 1.00 0.58 C ATOM 373 CG GLN A 596 -10.178 5.104 -11.448 1.00 1.07 C ATOM 374 CD GLN A 596 -11.184 5.897 -12.288 1.00 0.83 C ATOM 375 OE1 GLN A 596 -11.335 7.089 -12.109 1.00 1.34 O ATOM 376 NE2 GLN A 596 -11.886 5.281 -13.200 1.00 0.64 N ATOM 0 H GLN A 596 -11.169 1.447 -11.479 1.00 0.43 H new ATOM 0 HA GLN A 596 -8.990 2.820 -11.159 1.00 0.37 H new ATOM 0 HB2 GLN A 596 -11.633 3.510 -11.502 1.00 0.58 H new ATOM 0 HB3 GLN A 596 -11.399 4.205 -9.911 1.00 0.58 H new ATOM 0 HG2 GLN A 596 -9.756 5.740 -10.670 1.00 1.07 H new ATOM 0 HG3 GLN A 596 -9.349 4.771 -12.072 1.00 1.07 H new ATOM 0 HE21 GLN A 596 -11.760 4.280 -13.351 1.00 0.64 H new ATOM 0 HE22 GLN A 596 -12.561 5.801 -13.762 1.00 0.64 H new ATOM 385 N GLY A 597 -8.128 2.496 -8.829 1.00 0.72 N ATOM 386 CA GLY A 597 -7.527 2.660 -7.481 1.00 1.06 C ATOM 387 C GLY A 597 -7.620 1.343 -6.713 1.00 0.76 C ATOM 388 O GLY A 597 -7.551 1.322 -5.500 1.00 0.80 O ATOM 0 H GLY A 597 -7.567 1.963 -9.493 1.00 0.72 H new ATOM 0 HA2 GLY A 597 -6.485 2.967 -7.572 1.00 1.06 H new ATOM 0 HA3 GLY A 597 -8.045 3.448 -6.935 1.00 1.06 H new ATOM 392 N VAL A 598 -7.754 0.237 -7.404 1.00 0.53 N ATOM 393 CA VAL A 598 -7.821 -1.055 -6.695 1.00 0.32 C ATOM 394 C VAL A 598 -6.390 -1.474 -6.394 1.00 0.29 C ATOM 395 O VAL A 598 -5.638 -1.914 -7.242 1.00 0.44 O ATOM 396 CB VAL A 598 -8.547 -2.013 -7.662 1.00 0.36 C ATOM 397 CG1 VAL A 598 -7.745 -3.300 -7.882 1.00 0.41 C ATOM 398 CG2 VAL A 598 -9.909 -2.379 -7.067 1.00 0.53 C ATOM 0 H VAL A 598 -7.818 0.184 -8.421 1.00 0.53 H new ATOM 0 HA VAL A 598 -8.358 -1.033 -5.747 1.00 0.32 H new ATOM 0 HB VAL A 598 -8.662 -1.509 -8.622 1.00 0.36 H new ATOM 0 HG11 VAL A 598 -8.285 -3.952 -8.568 1.00 0.41 H new ATOM 0 HG12 VAL A 598 -6.771 -3.054 -8.306 1.00 0.41 H new ATOM 0 HG13 VAL A 598 -7.607 -3.810 -6.929 1.00 0.41 H new ATOM 0 HG21 VAL A 598 -10.431 -3.056 -7.743 1.00 0.53 H new ATOM 0 HG22 VAL A 598 -9.766 -2.867 -6.103 1.00 0.53 H new ATOM 0 HG23 VAL A 598 -10.502 -1.474 -6.931 1.00 0.53 H new ATOM 408 N ASN A 599 -6.030 -1.302 -5.177 1.00 0.28 N ATOM 409 CA ASN A 599 -4.660 -1.642 -4.720 1.00 0.27 C ATOM 410 C ASN A 599 -4.704 -2.222 -3.296 1.00 0.25 C ATOM 411 O ASN A 599 -5.348 -1.660 -2.433 1.00 0.30 O ATOM 412 CB ASN A 599 -3.908 -0.316 -4.750 1.00 0.40 C ATOM 413 CG ASN A 599 -2.623 -0.408 -3.925 1.00 0.59 C ATOM 414 OD1 ASN A 599 -2.150 -1.487 -3.627 1.00 1.52 O ATOM 415 ND2 ASN A 599 -2.032 0.690 -3.545 1.00 0.35 N ATOM 0 H ASN A 599 -6.639 -0.929 -4.449 1.00 0.28 H new ATOM 0 HA ASN A 599 -4.181 -2.396 -5.345 1.00 0.27 H new ATOM 0 HB2 ASN A 599 -3.668 -0.051 -5.780 1.00 0.40 H new ATOM 0 HB3 ASN A 599 -4.543 0.478 -4.357 1.00 0.40 H new ATOM 0 HD21 ASN A 599 -1.173 0.643 -2.998 1.00 0.35 H new ATOM 0 HD22 ASN A 599 -2.429 1.596 -3.795 1.00 0.35 H new ATOM 422 N PRO A 600 -3.997 -3.302 -3.073 1.00 0.25 N ATOM 423 CA PRO A 600 -3.218 -3.980 -4.128 1.00 0.24 C ATOM 424 C PRO A 600 -4.083 -5.054 -4.784 1.00 0.20 C ATOM 425 O PRO A 600 -5.071 -5.491 -4.225 1.00 0.20 O ATOM 426 CB PRO A 600 -2.078 -4.625 -3.358 1.00 0.30 C ATOM 427 CG PRO A 600 -2.595 -4.823 -1.967 1.00 0.33 C ATOM 428 CD PRO A 600 -3.844 -3.987 -1.793 1.00 0.29 C ATOM 0 HA PRO A 600 -2.875 -3.313 -4.918 1.00 0.24 H new ATOM 0 HB2 PRO A 600 -1.789 -5.575 -3.808 1.00 0.30 H new ATOM 0 HB3 PRO A 600 -1.193 -3.988 -3.361 1.00 0.30 H new ATOM 0 HG2 PRO A 600 -2.817 -5.876 -1.792 1.00 0.33 H new ATOM 0 HG3 PRO A 600 -1.840 -4.531 -1.237 1.00 0.33 H new ATOM 0 HD2 PRO A 600 -4.711 -4.608 -1.567 1.00 0.29 H new ATOM 0 HD3 PRO A 600 -3.738 -3.278 -0.972 1.00 0.29 H new ATOM 436 N PHE A 601 -3.708 -5.506 -5.941 1.00 0.20 N ATOM 437 CA PHE A 601 -4.497 -6.583 -6.607 1.00 0.18 C ATOM 438 C PHE A 601 -3.694 -7.871 -6.493 1.00 0.17 C ATOM 439 O PHE A 601 -2.592 -7.967 -6.989 1.00 0.17 O ATOM 440 CB PHE A 601 -4.634 -6.157 -8.072 1.00 0.19 C ATOM 441 CG PHE A 601 -5.909 -6.725 -8.666 1.00 0.21 C ATOM 442 CD1 PHE A 601 -7.158 -6.293 -8.199 1.00 0.24 C ATOM 443 CD2 PHE A 601 -5.843 -7.673 -9.699 1.00 0.24 C ATOM 444 CE1 PHE A 601 -8.334 -6.805 -8.762 1.00 0.28 C ATOM 445 CE2 PHE A 601 -7.021 -8.185 -10.258 1.00 0.28 C ATOM 446 CZ PHE A 601 -8.266 -7.751 -9.790 1.00 0.28 C ATOM 0 H PHE A 601 -2.891 -5.180 -6.458 1.00 0.20 H new ATOM 0 HA PHE A 601 -5.481 -6.739 -6.164 1.00 0.18 H new ATOM 0 HB2 PHE A 601 -4.644 -5.069 -8.143 1.00 0.19 H new ATOM 0 HB3 PHE A 601 -3.772 -6.505 -8.642 1.00 0.19 H new ATOM 0 HD1 PHE A 601 -7.214 -5.564 -7.404 1.00 0.24 H new ATOM 0 HD2 PHE A 601 -4.883 -8.008 -10.063 1.00 0.24 H new ATOM 0 HE1 PHE A 601 -9.295 -6.469 -8.402 1.00 0.28 H new ATOM 0 HE2 PHE A 601 -6.968 -8.916 -11.051 1.00 0.28 H new ATOM 0 HZ PHE A 601 -9.174 -8.146 -10.222 1.00 0.28 H new ATOM 456 N PHE A 602 -4.219 -8.848 -5.818 1.00 0.18 N ATOM 457 CA PHE A 602 -3.459 -10.114 -5.645 1.00 0.17 C ATOM 458 C PHE A 602 -3.737 -11.075 -6.789 1.00 0.16 C ATOM 459 O PHE A 602 -4.828 -11.126 -7.322 1.00 0.16 O ATOM 460 CB PHE A 602 -3.941 -10.714 -4.324 1.00 0.19 C ATOM 461 CG PHE A 602 -3.642 -9.764 -3.195 1.00 0.28 C ATOM 462 CD1 PHE A 602 -2.319 -9.421 -2.901 1.00 0.41 C ATOM 463 CD2 PHE A 602 -4.691 -9.226 -2.442 1.00 0.33 C ATOM 464 CE1 PHE A 602 -2.043 -8.536 -1.855 1.00 0.53 C ATOM 465 CE2 PHE A 602 -4.416 -8.343 -1.394 1.00 0.45 C ATOM 466 CZ PHE A 602 -3.093 -7.998 -1.101 1.00 0.53 C ATOM 0 H PHE A 602 -5.139 -8.827 -5.379 1.00 0.18 H new ATOM 0 HA PHE A 602 -2.385 -9.930 -5.640 1.00 0.17 H new ATOM 0 HB2 PHE A 602 -5.012 -10.911 -4.372 1.00 0.19 H new ATOM 0 HB3 PHE A 602 -3.449 -11.670 -4.147 1.00 0.19 H new ATOM 0 HD1 PHE A 602 -1.511 -9.840 -3.482 1.00 0.41 H new ATOM 0 HD2 PHE A 602 -5.712 -9.493 -2.670 1.00 0.33 H new ATOM 0 HE1 PHE A 602 -1.022 -8.268 -1.629 1.00 0.53 H new ATOM 0 HE2 PHE A 602 -5.225 -7.928 -0.811 1.00 0.45 H new ATOM 0 HZ PHE A 602 -2.881 -7.315 -0.292 1.00 0.53 H new ATOM 476 N ILE A 603 -2.757 -11.838 -7.167 1.00 0.17 N ATOM 477 CA ILE A 603 -2.956 -12.807 -8.275 1.00 0.17 C ATOM 478 C ILE A 603 -2.211 -14.106 -7.972 1.00 0.18 C ATOM 479 O ILE A 603 -1.097 -14.090 -7.484 1.00 0.19 O ATOM 480 CB ILE A 603 -2.338 -12.153 -9.513 1.00 0.21 C ATOM 481 CG1 ILE A 603 -2.510 -10.626 -9.481 1.00 0.23 C ATOM 482 CG2 ILE A 603 -2.995 -12.715 -10.766 1.00 0.21 C ATOM 483 CD1 ILE A 603 -1.762 -10.001 -10.662 1.00 0.29 C ATOM 0 H ILE A 603 -1.823 -11.833 -6.756 1.00 0.17 H new ATOM 0 HA ILE A 603 -4.011 -13.043 -8.414 1.00 0.17 H new ATOM 0 HB ILE A 603 -1.271 -12.375 -9.520 1.00 0.21 H new ATOM 0 HG12 ILE A 603 -3.568 -10.368 -9.530 1.00 0.23 H new ATOM 0 HG13 ILE A 603 -2.127 -10.226 -8.542 1.00 0.23 H new ATOM 0 HG21 ILE A 603 -2.555 -12.249 -11.648 1.00 0.21 H new ATOM 0 HG22 ILE A 603 -2.837 -13.793 -10.808 1.00 0.21 H new ATOM 0 HG23 ILE A 603 -4.064 -12.506 -10.741 1.00 0.21 H new ATOM 0 HD11 ILE A 603 -1.885 -8.918 -10.638 1.00 0.29 H new ATOM 0 HD12 ILE A 603 -0.703 -10.248 -10.593 1.00 0.29 H new ATOM 0 HD13 ILE A 603 -2.166 -10.392 -11.596 1.00 0.29 H new ATOM 495 N GLY A 604 -2.803 -15.229 -8.271 1.00 0.19 N ATOM 496 CA GLY A 604 -2.104 -16.519 -8.011 1.00 0.22 C ATOM 497 C GLY A 604 -3.017 -17.706 -8.312 1.00 0.21 C ATOM 498 O GLY A 604 -4.056 -17.573 -8.926 1.00 0.22 O ATOM 0 H GLY A 604 -3.733 -15.310 -8.681 1.00 0.19 H new ATOM 0 HA2 GLY A 604 -1.206 -16.581 -8.626 1.00 0.22 H new ATOM 0 HA3 GLY A 604 -1.781 -16.559 -6.971 1.00 0.22 H new ATOM 502 N ARG A 605 -2.618 -18.872 -7.875 1.00 0.24 N ATOM 503 CA ARG A 605 -3.432 -20.101 -8.121 1.00 0.26 C ATOM 504 C ARG A 605 -4.770 -20.017 -7.383 1.00 0.28 C ATOM 505 O ARG A 605 -5.793 -20.437 -7.886 1.00 0.36 O ATOM 506 CB ARG A 605 -2.582 -21.247 -7.561 1.00 0.31 C ATOM 507 CG ARG A 605 -3.352 -22.568 -7.654 1.00 0.87 C ATOM 508 CD ARG A 605 -3.410 -23.025 -9.112 1.00 0.41 C ATOM 509 NE ARG A 605 -4.326 -24.199 -9.112 1.00 0.73 N ATOM 510 CZ ARG A 605 -3.924 -25.341 -8.622 1.00 1.09 C ATOM 511 NH1 ARG A 605 -3.920 -25.532 -7.332 1.00 1.42 N ATOM 512 NH2 ARG A 605 -3.527 -26.291 -9.424 1.00 1.56 N ATOM 0 H ARG A 605 -1.755 -19.027 -7.353 1.00 0.24 H new ATOM 0 HA ARG A 605 -3.667 -20.236 -9.177 1.00 0.26 H new ATOM 0 HB2 ARG A 605 -1.647 -21.322 -8.117 1.00 0.31 H new ATOM 0 HB3 ARG A 605 -2.320 -21.042 -6.523 1.00 0.31 H new ATOM 0 HG2 ARG A 605 -2.865 -23.328 -7.043 1.00 0.87 H new ATOM 0 HG3 ARG A 605 -4.361 -22.441 -7.261 1.00 0.87 H new ATOM 0 HD2 ARG A 605 -3.785 -22.232 -9.759 1.00 0.41 H new ATOM 0 HD3 ARG A 605 -2.421 -23.296 -9.480 1.00 0.41 H new ATOM 0 HE ARG A 605 -5.267 -24.111 -9.495 1.00 0.73 H new ATOM 0 HH11 ARG A 605 -4.231 -24.789 -6.706 1.00 1.42 H new ATOM 0 HH12 ARG A 605 -3.606 -26.424 -6.949 1.00 1.42 H new ATOM 0 HH21 ARG A 605 -3.531 -26.141 -10.433 1.00 1.56 H new ATOM 0 HH22 ARG A 605 -3.213 -27.183 -9.042 1.00 1.56 H new ATOM 526 N SER A 606 -4.768 -19.489 -6.191 1.00 0.25 N ATOM 527 CA SER A 606 -6.036 -19.393 -5.418 1.00 0.27 C ATOM 528 C SER A 606 -6.855 -18.185 -5.865 1.00 0.25 C ATOM 529 O SER A 606 -6.398 -17.060 -5.801 1.00 0.24 O ATOM 530 CB SER A 606 -5.604 -19.225 -3.970 1.00 0.30 C ATOM 531 OG SER A 606 -5.557 -20.498 -3.340 1.00 0.75 O ATOM 0 H SER A 606 -3.943 -19.120 -5.719 1.00 0.25 H new ATOM 0 HA SER A 606 -6.665 -20.271 -5.565 1.00 0.27 H new ATOM 0 HB2 SER A 606 -4.625 -18.748 -3.924 1.00 0.30 H new ATOM 0 HB3 SER A 606 -6.301 -18.573 -3.444 1.00 0.30 H new ATOM 0 HG SER A 606 -5.434 -20.381 -2.375 1.00 0.75 H new ATOM 537 N GLU A 607 -8.070 -18.401 -6.300 1.00 0.27 N ATOM 538 CA GLU A 607 -8.917 -17.252 -6.726 1.00 0.27 C ATOM 539 C GLU A 607 -9.065 -16.259 -5.568 1.00 0.28 C ATOM 540 O GLU A 607 -9.467 -15.128 -5.760 1.00 0.30 O ATOM 541 CB GLU A 607 -10.273 -17.861 -7.097 1.00 0.34 C ATOM 542 CG GLU A 607 -10.865 -18.587 -5.884 1.00 1.31 C ATOM 543 CD GLU A 607 -11.936 -17.708 -5.232 1.00 1.74 C ATOM 544 OE1 GLU A 607 -11.770 -16.500 -5.245 1.00 2.39 O ATOM 545 OE2 GLU A 607 -12.902 -18.261 -4.731 1.00 2.21 O ATOM 0 H GLU A 607 -8.508 -19.319 -6.378 1.00 0.27 H new ATOM 0 HA GLU A 607 -8.484 -16.706 -7.564 1.00 0.27 H new ATOM 0 HB2 GLU A 607 -10.954 -17.079 -7.432 1.00 0.34 H new ATOM 0 HB3 GLU A 607 -10.154 -18.557 -7.927 1.00 0.34 H new ATOM 0 HG2 GLU A 607 -11.299 -19.538 -6.193 1.00 1.31 H new ATOM 0 HG3 GLU A 607 -10.079 -18.814 -5.164 1.00 1.31 H new ATOM 552 N ASP A 608 -8.732 -16.675 -4.366 1.00 0.29 N ATOM 553 CA ASP A 608 -8.838 -15.762 -3.190 1.00 0.33 C ATOM 554 C ASP A 608 -8.238 -14.396 -3.530 1.00 0.31 C ATOM 555 O ASP A 608 -8.735 -13.371 -3.105 1.00 0.36 O ATOM 556 CB ASP A 608 -8.030 -16.442 -2.083 1.00 0.35 C ATOM 557 CG ASP A 608 -8.983 -17.091 -1.078 1.00 0.96 C ATOM 558 OD1 ASP A 608 -9.969 -17.664 -1.511 1.00 1.60 O ATOM 559 OD2 ASP A 608 -8.710 -17.005 0.108 1.00 1.72 O ATOM 0 H ASP A 608 -8.391 -17.612 -4.153 1.00 0.29 H new ATOM 0 HA ASP A 608 -9.872 -15.591 -2.891 1.00 0.33 H new ATOM 0 HB2 ASP A 608 -7.369 -17.195 -2.512 1.00 0.35 H new ATOM 0 HB3 ASP A 608 -7.397 -15.711 -1.580 1.00 0.35 H new ATOM 564 N CYS A 609 -7.183 -14.371 -4.305 1.00 0.24 N ATOM 565 CA CYS A 609 -6.578 -13.071 -4.673 1.00 0.27 C ATOM 566 C CYS A 609 -7.541 -12.298 -5.570 1.00 0.23 C ATOM 567 O CYS A 609 -8.352 -12.874 -6.270 1.00 0.30 O ATOM 568 CB CYS A 609 -5.299 -13.443 -5.413 1.00 0.30 C ATOM 569 SG CYS A 609 -4.213 -14.359 -4.291 1.00 0.99 S ATOM 0 H CYS A 609 -6.722 -15.194 -4.693 1.00 0.24 H new ATOM 0 HA CYS A 609 -6.370 -12.431 -3.816 1.00 0.27 H new ATOM 0 HB2 CYS A 609 -5.533 -14.049 -6.288 1.00 0.30 H new ATOM 0 HB3 CYS A 609 -4.797 -12.545 -5.772 1.00 0.30 H new ATOM 0 HG CYS A 609 -3.056 -14.538 -4.857 1.00 0.99 H new ATOM 575 N ASN A 610 -7.462 -10.998 -5.550 1.00 0.17 N ATOM 576 CA ASN A 610 -8.376 -10.176 -6.396 1.00 0.17 C ATOM 577 C ASN A 610 -8.237 -10.567 -7.872 1.00 0.17 C ATOM 578 O ASN A 610 -9.058 -10.217 -8.697 1.00 0.23 O ATOM 579 CB ASN A 610 -7.931 -8.738 -6.172 1.00 0.18 C ATOM 580 CG ASN A 610 -9.112 -7.891 -5.737 1.00 0.32 C ATOM 581 OD1 ASN A 610 -9.941 -8.362 -4.870 1.00 1.23 O flip ATOM 582 ND2 ASN A 610 -9.279 -6.777 -6.195 1.00 1.05 N flip ATOM 0 H ASN A 610 -6.802 -10.465 -4.983 1.00 0.17 H new ATOM 0 HA ASN A 610 -9.424 -10.322 -6.134 1.00 0.17 H new ATOM 0 HB2 ASN A 610 -7.150 -8.705 -5.413 1.00 0.18 H new ATOM 0 HB3 ASN A 610 -7.502 -8.334 -7.089 1.00 0.18 H new ATOM 0 HD21 ASN A 610 -8.623 -6.404 -6.881 1.00 1.05 H new ATOM 0 HD22 ASN A 610 -10.075 -6.215 -5.893 1.00 1.05 H new ATOM 589 N CYS A 611 -7.203 -11.291 -8.206 1.00 0.20 N ATOM 590 CA CYS A 611 -7.003 -11.712 -9.622 1.00 0.19 C ATOM 591 C CYS A 611 -6.984 -13.240 -9.711 1.00 0.18 C ATOM 592 O CYS A 611 -6.519 -13.915 -8.813 1.00 0.20 O ATOM 593 CB CYS A 611 -5.657 -11.128 -10.022 1.00 0.22 C ATOM 594 SG CYS A 611 -5.512 -11.121 -11.825 1.00 0.34 S ATOM 0 H CYS A 611 -6.485 -11.610 -7.556 1.00 0.20 H new ATOM 0 HA CYS A 611 -7.801 -11.365 -10.279 1.00 0.19 H new ATOM 0 HB2 CYS A 611 -5.560 -10.114 -9.635 1.00 0.22 H new ATOM 0 HB3 CYS A 611 -4.850 -11.715 -9.584 1.00 0.22 H new ATOM 0 HG CYS A 611 -4.362 -10.620 -12.166 1.00 0.34 H new ATOM 600 N LYS A 612 -7.517 -13.791 -10.768 1.00 0.18 N ATOM 601 CA LYS A 612 -7.559 -15.289 -10.878 1.00 0.20 C ATOM 602 C LYS A 612 -6.618 -15.847 -11.964 1.00 0.21 C ATOM 603 O LYS A 612 -6.761 -15.583 -13.142 1.00 0.23 O ATOM 604 CB LYS A 612 -9.015 -15.625 -11.207 1.00 0.21 C ATOM 605 CG LYS A 612 -9.492 -16.747 -10.278 1.00 0.34 C ATOM 606 CD LYS A 612 -9.255 -18.101 -10.946 1.00 0.81 C ATOM 607 CE LYS A 612 -10.516 -18.528 -11.700 1.00 1.23 C ATOM 608 NZ LYS A 612 -10.057 -19.570 -12.660 1.00 2.17 N ATOM 0 H LYS A 612 -7.922 -13.282 -11.554 1.00 0.18 H new ATOM 0 HA LYS A 612 -7.215 -15.745 -9.949 1.00 0.20 H new ATOM 0 HB2 LYS A 612 -9.642 -14.742 -11.083 1.00 0.21 H new ATOM 0 HB3 LYS A 612 -9.103 -15.935 -12.248 1.00 0.21 H new ATOM 0 HG2 LYS A 612 -8.957 -16.700 -9.329 1.00 0.34 H new ATOM 0 HG3 LYS A 612 -10.551 -16.621 -10.053 1.00 0.34 H new ATOM 0 HD2 LYS A 612 -8.412 -18.036 -11.634 1.00 0.81 H new ATOM 0 HD3 LYS A 612 -8.997 -18.848 -10.195 1.00 0.81 H new ATOM 0 HE2 LYS A 612 -11.269 -18.924 -11.018 1.00 1.23 H new ATOM 0 HE3 LYS A 612 -10.969 -17.684 -12.220 1.00 1.23 H new ATOM 0 HZ1 LYS A 612 -10.202 -19.233 -13.633 1.00 2.17 H new ATOM 0 HZ2 LYS A 612 -9.046 -19.762 -12.507 1.00 2.17 H new ATOM 0 HZ3 LYS A 612 -10.602 -20.443 -12.511 1.00 2.17 H new ATOM 622 N ILE A 613 -5.693 -16.674 -11.543 1.00 0.23 N ATOM 623 CA ILE A 613 -4.744 -17.357 -12.454 1.00 0.26 C ATOM 624 C ILE A 613 -4.523 -18.757 -11.911 1.00 0.29 C ATOM 625 O ILE A 613 -3.869 -18.934 -10.904 1.00 0.30 O ATOM 626 CB ILE A 613 -3.445 -16.548 -12.412 1.00 0.26 C ATOM 627 CG1 ILE A 613 -3.696 -15.188 -13.054 1.00 0.54 C ATOM 628 CG2 ILE A 613 -2.350 -17.290 -13.192 1.00 0.47 C ATOM 629 CD1 ILE A 613 -2.370 -14.453 -13.275 1.00 0.55 C ATOM 0 H ILE A 613 -5.558 -16.908 -10.559 1.00 0.23 H new ATOM 0 HA ILE A 613 -5.107 -17.426 -13.479 1.00 0.26 H new ATOM 0 HB ILE A 613 -3.121 -16.419 -11.379 1.00 0.26 H new ATOM 0 HG12 ILE A 613 -4.211 -15.317 -14.006 1.00 0.54 H new ATOM 0 HG13 ILE A 613 -4.349 -14.592 -12.416 1.00 0.54 H new ATOM 0 HG21 ILE A 613 -1.426 -16.712 -13.161 1.00 0.47 H new ATOM 0 HG22 ILE A 613 -2.182 -18.268 -12.742 1.00 0.47 H new ATOM 0 HG23 ILE A 613 -2.664 -17.417 -14.228 1.00 0.47 H new ATOM 0 HD11 ILE A 613 -2.564 -13.483 -13.734 1.00 0.55 H new ATOM 0 HD12 ILE A 613 -1.870 -14.308 -12.317 1.00 0.55 H new ATOM 0 HD13 ILE A 613 -1.731 -15.044 -13.931 1.00 0.55 H new ATOM 641 N GLU A 614 -5.045 -19.754 -12.550 1.00 0.33 N ATOM 642 CA GLU A 614 -4.830 -21.107 -12.024 1.00 0.36 C ATOM 643 C GLU A 614 -3.602 -21.718 -12.673 1.00 0.33 C ATOM 644 O GLU A 614 -3.611 -22.189 -13.793 1.00 0.35 O ATOM 645 CB GLU A 614 -6.088 -21.888 -12.405 1.00 0.43 C ATOM 646 CG GLU A 614 -6.425 -22.887 -11.297 1.00 1.17 C ATOM 647 CD GLU A 614 -7.899 -23.286 -11.400 1.00 1.58 C ATOM 648 OE1 GLU A 614 -8.716 -22.616 -10.790 1.00 2.28 O ATOM 649 OE2 GLU A 614 -8.184 -24.253 -12.085 1.00 2.02 O ATOM 0 H GLU A 614 -5.603 -19.688 -13.401 1.00 0.33 H new ATOM 0 HA GLU A 614 -4.664 -21.116 -10.947 1.00 0.36 H new ATOM 0 HB2 GLU A 614 -6.922 -21.203 -12.557 1.00 0.43 H new ATOM 0 HB3 GLU A 614 -5.931 -22.413 -13.347 1.00 0.43 H new ATOM 0 HG2 GLU A 614 -5.791 -23.770 -11.384 1.00 1.17 H new ATOM 0 HG3 GLU A 614 -6.224 -22.445 -10.321 1.00 1.17 H new ATOM 656 N ASP A 615 -2.569 -21.747 -11.914 1.00 0.31 N ATOM 657 CA ASP A 615 -1.287 -22.362 -12.342 1.00 0.32 C ATOM 658 C ASP A 615 -0.724 -23.151 -11.159 1.00 0.32 C ATOM 659 O ASP A 615 -0.250 -22.581 -10.195 1.00 0.33 O ATOM 660 CB ASP A 615 -0.361 -21.206 -12.714 1.00 0.33 C ATOM 661 CG ASP A 615 -0.203 -21.124 -14.236 1.00 0.57 C ATOM 662 OD1 ASP A 615 -0.714 -21.995 -14.921 1.00 1.39 O ATOM 663 OD2 ASP A 615 0.437 -20.191 -14.691 1.00 1.19 O ATOM 0 H ASP A 615 -2.549 -21.356 -10.972 1.00 0.31 H new ATOM 0 HA ASP A 615 -1.402 -23.040 -13.188 1.00 0.32 H new ATOM 0 HB2 ASP A 615 -0.766 -20.269 -12.332 1.00 0.33 H new ATOM 0 HB3 ASP A 615 0.614 -21.346 -12.247 1.00 0.33 H new ATOM 668 N ASN A 616 -0.799 -24.445 -11.215 1.00 0.34 N ATOM 669 CA ASN A 616 -0.297 -25.299 -10.088 1.00 0.35 C ATOM 670 C ASN A 616 1.014 -24.758 -9.490 1.00 0.36 C ATOM 671 O ASN A 616 1.182 -24.720 -8.286 1.00 0.45 O ATOM 672 CB ASN A 616 -0.065 -26.674 -10.717 1.00 0.38 C ATOM 673 CG ASN A 616 -0.604 -27.762 -9.785 1.00 1.04 C ATOM 674 OD1 ASN A 616 -1.646 -28.332 -10.038 1.00 1.85 O ATOM 675 ND2 ASN A 616 0.066 -28.073 -8.709 1.00 1.70 N ATOM 0 H ASN A 616 -1.191 -24.964 -12.001 1.00 0.34 H new ATOM 0 HA ASN A 616 -1.010 -25.322 -9.264 1.00 0.35 H new ATOM 0 HB2 ASN A 616 -0.563 -26.731 -11.685 1.00 0.38 H new ATOM 0 HB3 ASN A 616 0.999 -26.829 -10.896 1.00 0.38 H new ATOM 0 HD21 ASN A 616 -0.286 -28.795 -8.080 1.00 1.70 H new ATOM 0 HD22 ASN A 616 0.941 -27.594 -8.497 1.00 1.70 H new ATOM 682 N ARG A 617 1.946 -24.360 -10.314 1.00 0.32 N ATOM 683 CA ARG A 617 3.249 -23.845 -9.784 1.00 0.34 C ATOM 684 C ARG A 617 3.160 -22.358 -9.406 1.00 0.32 C ATOM 685 O ARG A 617 4.000 -21.842 -8.695 1.00 0.35 O ATOM 686 CB ARG A 617 4.243 -24.045 -10.932 1.00 0.38 C ATOM 687 CG ARG A 617 5.322 -25.050 -10.513 1.00 0.92 C ATOM 688 CD ARG A 617 5.558 -26.051 -11.647 1.00 1.31 C ATOM 689 NE ARG A 617 4.314 -26.866 -11.705 1.00 1.76 N ATOM 690 CZ ARG A 617 4.380 -28.138 -11.990 1.00 2.34 C ATOM 691 NH1 ARG A 617 4.966 -28.963 -11.166 1.00 2.93 N ATOM 692 NH2 ARG A 617 3.859 -28.586 -13.100 1.00 2.70 N ATOM 0 H ARG A 617 1.865 -24.368 -11.331 1.00 0.32 H new ATOM 0 HA ARG A 617 3.545 -24.368 -8.875 1.00 0.34 H new ATOM 0 HB2 ARG A 617 3.721 -24.406 -11.819 1.00 0.38 H new ATOM 0 HB3 ARG A 617 4.703 -23.093 -11.198 1.00 0.38 H new ATOM 0 HG2 ARG A 617 6.249 -24.527 -10.277 1.00 0.92 H new ATOM 0 HG3 ARG A 617 5.013 -25.575 -9.609 1.00 0.92 H new ATOM 0 HD2 ARG A 617 5.740 -25.541 -12.593 1.00 1.31 H new ATOM 0 HD3 ARG A 617 6.430 -26.675 -11.448 1.00 1.31 H new ATOM 0 HE ARG A 617 3.410 -26.431 -11.522 1.00 1.76 H new ATOM 0 HH11 ARG A 617 5.373 -28.614 -10.298 1.00 2.93 H new ATOM 0 HH12 ARG A 617 5.017 -29.957 -11.390 1.00 2.93 H new ATOM 0 HH21 ARG A 617 3.400 -27.942 -13.744 1.00 2.70 H new ATOM 0 HH22 ARG A 617 3.911 -29.580 -13.323 1.00 2.70 H new ATOM 706 N LEU A 618 2.164 -21.662 -9.885 1.00 0.28 N ATOM 707 CA LEU A 618 2.037 -20.204 -9.566 1.00 0.27 C ATOM 708 C LEU A 618 1.473 -20.003 -8.151 1.00 0.27 C ATOM 709 O LEU A 618 0.373 -20.423 -7.847 1.00 0.34 O ATOM 710 CB LEU A 618 1.059 -19.684 -10.616 1.00 0.26 C ATOM 711 CG LEU A 618 0.949 -18.163 -10.544 1.00 0.26 C ATOM 712 CD1 LEU A 618 1.602 -17.547 -11.782 1.00 0.41 C ATOM 713 CD2 LEU A 618 -0.526 -17.777 -10.516 1.00 0.27 C ATOM 0 H LEU A 618 1.430 -22.038 -10.485 1.00 0.28 H new ATOM 0 HA LEU A 618 2.994 -19.683 -9.587 1.00 0.27 H new ATOM 0 HB2 LEU A 618 1.392 -19.983 -11.610 1.00 0.26 H new ATOM 0 HB3 LEU A 618 0.078 -20.132 -10.460 1.00 0.26 H new ATOM 0 HG LEU A 618 1.450 -17.799 -9.647 1.00 0.26 H new ATOM 0 HD11 LEU A 618 1.524 -16.461 -11.732 1.00 0.41 H new ATOM 0 HD12 LEU A 618 2.653 -17.834 -11.820 1.00 0.41 H new ATOM 0 HD13 LEU A 618 1.095 -17.906 -12.678 1.00 0.41 H new ATOM 0 HD21 LEU A 618 -0.617 -16.692 -10.465 1.00 0.27 H new ATOM 0 HD22 LEU A 618 -1.014 -18.140 -11.421 1.00 0.27 H new ATOM 0 HD23 LEU A 618 -1.002 -18.223 -9.643 1.00 0.27 H new ATOM 725 N SER A 619 2.220 -19.361 -7.289 1.00 0.25 N ATOM 726 CA SER A 619 1.736 -19.124 -5.892 1.00 0.26 C ATOM 727 C SER A 619 0.428 -18.322 -5.897 1.00 0.25 C ATOM 728 O SER A 619 0.103 -17.655 -6.858 1.00 0.22 O ATOM 729 CB SER A 619 2.849 -18.322 -5.219 1.00 0.27 C ATOM 730 OG SER A 619 2.974 -18.736 -3.865 1.00 0.91 O ATOM 0 H SER A 619 3.148 -18.989 -7.492 1.00 0.25 H new ATOM 0 HA SER A 619 1.527 -20.058 -5.371 1.00 0.26 H new ATOM 0 HB2 SER A 619 3.791 -18.473 -5.746 1.00 0.27 H new ATOM 0 HB3 SER A 619 2.625 -17.256 -5.266 1.00 0.27 H new ATOM 0 HG SER A 619 3.688 -18.224 -3.431 1.00 0.91 H new ATOM 736 N ARG A 620 -0.321 -18.379 -4.822 1.00 0.28 N ATOM 737 CA ARG A 620 -1.605 -17.612 -4.756 1.00 0.29 C ATOM 738 C ARG A 620 -1.300 -16.114 -4.825 1.00 0.26 C ATOM 739 O ARG A 620 -1.916 -15.369 -5.560 1.00 0.26 O ATOM 740 CB ARG A 620 -2.223 -17.973 -3.401 1.00 0.34 C ATOM 741 CG ARG A 620 -2.345 -19.498 -3.271 1.00 1.27 C ATOM 742 CD ARG A 620 -1.312 -20.013 -2.264 1.00 1.80 C ATOM 743 NE ARG A 620 -2.057 -20.980 -1.411 1.00 1.90 N ATOM 744 CZ ARG A 620 -2.127 -20.791 -0.122 1.00 1.98 C ATOM 745 NH1 ARG A 620 -1.051 -20.883 0.611 1.00 2.42 N ATOM 746 NH2 ARG A 620 -3.274 -20.510 0.435 1.00 2.24 N ATOM 0 H ARG A 620 -0.099 -18.923 -3.988 1.00 0.28 H new ATOM 0 HA ARG A 620 -2.280 -17.851 -5.578 1.00 0.29 H new ATOM 0 HB2 ARG A 620 -1.606 -17.579 -2.594 1.00 0.34 H new ATOM 0 HB3 ARG A 620 -3.206 -17.511 -3.305 1.00 0.34 H new ATOM 0 HG2 ARG A 620 -3.350 -19.766 -2.945 1.00 1.27 H new ATOM 0 HG3 ARG A 620 -2.188 -19.969 -4.241 1.00 1.27 H new ATOM 0 HD2 ARG A 620 -0.475 -20.495 -2.769 1.00 1.80 H new ATOM 0 HD3 ARG A 620 -0.900 -19.198 -1.669 1.00 1.80 H new ATOM 0 HE ARG A 620 -2.512 -21.789 -1.834 1.00 1.90 H new ATOM 0 HH11 ARG A 620 -0.155 -21.103 0.176 1.00 2.42 H new ATOM 0 HH12 ARG A 620 -1.106 -20.735 1.619 1.00 2.42 H new ATOM 0 HH21 ARG A 620 -4.115 -20.438 -0.138 1.00 2.24 H new ATOM 0 HH22 ARG A 620 -3.329 -20.362 1.443 1.00 2.24 H new ATOM 760 N VAL A 621 -0.334 -15.680 -4.083 1.00 0.24 N ATOM 761 CA VAL A 621 0.061 -14.240 -4.113 1.00 0.22 C ATOM 762 C VAL A 621 1.221 -14.050 -5.091 1.00 0.18 C ATOM 763 O VAL A 621 1.746 -12.967 -5.259 1.00 0.18 O ATOM 764 CB VAL A 621 0.443 -13.863 -2.678 1.00 0.26 C ATOM 765 CG1 VAL A 621 -0.828 -13.783 -1.828 1.00 1.02 C ATOM 766 CG2 VAL A 621 1.383 -14.916 -2.089 1.00 0.91 C ATOM 0 H VAL A 621 0.211 -16.261 -3.446 1.00 0.24 H new ATOM 0 HA VAL A 621 -0.747 -13.595 -4.458 1.00 0.22 H new ATOM 0 HB VAL A 621 0.951 -12.899 -2.682 1.00 0.26 H new ATOM 0 HG11 VAL A 621 -0.565 -13.515 -0.805 1.00 1.02 H new ATOM 0 HG12 VAL A 621 -1.495 -13.026 -2.241 1.00 1.02 H new ATOM 0 HG13 VAL A 621 -1.330 -14.751 -1.832 1.00 1.02 H new ATOM 0 HG21 VAL A 621 1.648 -14.638 -1.069 1.00 0.91 H new ATOM 0 HG22 VAL A 621 0.885 -15.886 -2.083 1.00 0.91 H new ATOM 0 HG23 VAL A 621 2.287 -14.976 -2.695 1.00 0.91 H new ATOM 776 N HIS A 622 1.610 -15.125 -5.721 1.00 0.18 N ATOM 777 CA HIS A 622 2.734 -15.124 -6.713 1.00 0.17 C ATOM 778 C HIS A 622 2.855 -13.778 -7.388 1.00 0.15 C ATOM 779 O HIS A 622 3.916 -13.247 -7.506 1.00 0.18 O ATOM 780 CB HIS A 622 2.318 -16.166 -7.723 1.00 0.17 C ATOM 781 CG HIS A 622 3.315 -16.337 -8.822 1.00 0.18 C ATOM 782 ND1 HIS A 622 3.921 -17.571 -9.057 1.00 0.19 N ATOM 783 CD2 HIS A 622 3.752 -15.501 -9.821 1.00 0.20 C ATOM 784 CE1 HIS A 622 4.672 -17.453 -10.160 1.00 0.21 C ATOM 785 NE2 HIS A 622 4.591 -16.223 -10.644 1.00 0.22 N ATOM 0 H HIS A 622 1.180 -16.040 -5.586 1.00 0.18 H new ATOM 0 HA HIS A 622 3.699 -15.328 -6.249 1.00 0.17 H new ATOM 0 HB2 HIS A 622 2.176 -17.120 -7.216 1.00 0.17 H new ATOM 0 HB3 HIS A 622 1.356 -15.886 -8.152 1.00 0.17 H new ATOM 0 HD2 HIS A 622 3.485 -14.461 -9.941 1.00 0.20 H new ATOM 0 HE1 HIS A 622 5.260 -18.248 -10.593 1.00 0.21 H new ATOM 0 HE2 HIS A 622 5.064 -15.872 -11.477 1.00 0.22 H new ATOM 793 N CYS A 623 1.775 -13.221 -7.835 1.00 0.13 N ATOM 794 CA CYS A 623 1.882 -11.880 -8.483 1.00 0.13 C ATOM 795 C CYS A 623 0.762 -10.959 -8.009 1.00 0.14 C ATOM 796 O CYS A 623 -0.352 -11.386 -7.786 1.00 0.15 O ATOM 797 CB CYS A 623 1.796 -12.111 -10.000 1.00 0.15 C ATOM 798 SG CYS A 623 0.835 -13.604 -10.381 1.00 0.19 S ATOM 0 H CYS A 623 0.837 -13.619 -7.786 1.00 0.13 H new ATOM 0 HA CYS A 623 2.822 -11.395 -8.219 1.00 0.13 H new ATOM 0 HB2 CYS A 623 1.335 -11.246 -10.477 1.00 0.15 H new ATOM 0 HB3 CYS A 623 2.800 -12.206 -10.414 1.00 0.15 H new ATOM 0 HG CYS A 623 -0.195 -13.284 -11.107 1.00 0.19 H new ATOM 804 N PHE A 624 1.041 -9.690 -7.891 1.00 0.15 N ATOM 805 CA PHE A 624 -0.021 -8.733 -7.475 1.00 0.18 C ATOM 806 C PHE A 624 0.166 -7.396 -8.186 1.00 0.19 C ATOM 807 O PHE A 624 1.272 -6.991 -8.489 1.00 0.22 O ATOM 808 CB PHE A 624 0.074 -8.594 -5.944 1.00 0.22 C ATOM 809 CG PHE A 624 1.231 -7.710 -5.518 1.00 0.21 C ATOM 810 CD1 PHE A 624 1.191 -6.319 -5.723 1.00 0.42 C ATOM 811 CD2 PHE A 624 2.336 -8.287 -4.887 1.00 0.40 C ATOM 812 CE1 PHE A 624 2.262 -5.522 -5.294 1.00 0.53 C ATOM 813 CE2 PHE A 624 3.404 -7.490 -4.463 1.00 0.51 C ATOM 814 CZ PHE A 624 3.367 -6.108 -4.666 1.00 0.48 C ATOM 0 H PHE A 624 1.957 -9.276 -8.064 1.00 0.15 H new ATOM 0 HA PHE A 624 -1.013 -9.091 -7.750 1.00 0.18 H new ATOM 0 HB2 PHE A 624 -0.858 -8.179 -5.560 1.00 0.22 H new ATOM 0 HB3 PHE A 624 0.191 -9.582 -5.498 1.00 0.22 H new ATOM 0 HD1 PHE A 624 0.339 -5.867 -6.209 1.00 0.42 H new ATOM 0 HD2 PHE A 624 2.366 -9.354 -4.726 1.00 0.40 H new ATOM 0 HE1 PHE A 624 2.234 -4.453 -5.449 1.00 0.53 H new ATOM 0 HE2 PHE A 624 4.257 -7.942 -3.979 1.00 0.51 H new ATOM 0 HZ PHE A 624 4.191 -5.492 -4.338 1.00 0.48 H new ATOM 824 N ILE A 625 -0.905 -6.702 -8.433 1.00 0.19 N ATOM 825 CA ILE A 625 -0.788 -5.374 -9.105 1.00 0.20 C ATOM 826 C ILE A 625 -0.995 -4.278 -8.065 1.00 0.21 C ATOM 827 O ILE A 625 -2.015 -4.216 -7.406 1.00 0.30 O ATOM 828 CB ILE A 625 -1.885 -5.345 -10.169 1.00 0.26 C ATOM 829 CG1 ILE A 625 -1.591 -6.421 -11.218 1.00 0.55 C ATOM 830 CG2 ILE A 625 -1.909 -3.969 -10.843 1.00 0.64 C ATOM 831 CD1 ILE A 625 -2.695 -6.424 -12.274 1.00 0.56 C ATOM 0 H ILE A 625 -1.855 -6.992 -8.201 1.00 0.19 H new ATOM 0 HA ILE A 625 0.189 -5.215 -9.562 1.00 0.20 H new ATOM 0 HB ILE A 625 -2.853 -5.536 -9.705 1.00 0.26 H new ATOM 0 HG12 ILE A 625 -0.626 -6.231 -11.687 1.00 0.55 H new ATOM 0 HG13 ILE A 625 -1.527 -7.399 -10.742 1.00 0.55 H new ATOM 0 HG21 ILE A 625 -2.691 -3.949 -11.602 1.00 0.64 H new ATOM 0 HG22 ILE A 625 -2.109 -3.201 -10.096 1.00 0.64 H new ATOM 0 HG23 ILE A 625 -0.944 -3.777 -11.312 1.00 0.64 H new ATOM 0 HD11 ILE A 625 -2.483 -7.191 -13.019 1.00 0.56 H new ATOM 0 HD12 ILE A 625 -3.653 -6.635 -11.798 1.00 0.56 H new ATOM 0 HD13 ILE A 625 -2.738 -5.449 -12.759 1.00 0.56 H new ATOM 843 N PHE A 626 -0.030 -3.420 -7.907 1.00 0.18 N ATOM 844 CA PHE A 626 -0.155 -2.337 -6.902 1.00 0.22 C ATOM 845 C PHE A 626 -0.180 -0.989 -7.610 1.00 0.18 C ATOM 846 O PHE A 626 0.333 -0.832 -8.699 1.00 0.16 O ATOM 847 CB PHE A 626 1.071 -2.474 -6.012 1.00 0.32 C ATOM 848 CG PHE A 626 1.439 -1.159 -5.367 1.00 0.32 C ATOM 849 CD1 PHE A 626 0.810 -0.752 -4.186 1.00 0.41 C ATOM 850 CD2 PHE A 626 2.427 -0.357 -5.948 1.00 0.65 C ATOM 851 CE1 PHE A 626 1.170 0.460 -3.586 1.00 0.73 C ATOM 852 CE2 PHE A 626 2.785 0.853 -5.350 1.00 0.90 C ATOM 853 CZ PHE A 626 2.157 1.262 -4.169 1.00 0.92 C ATOM 0 H PHE A 626 0.843 -3.424 -8.434 1.00 0.18 H new ATOM 0 HA PHE A 626 -1.072 -2.405 -6.317 1.00 0.22 H new ATOM 0 HB2 PHE A 626 0.879 -3.218 -5.239 1.00 0.32 H new ATOM 0 HB3 PHE A 626 1.912 -2.838 -6.603 1.00 0.32 H new ATOM 0 HD1 PHE A 626 0.048 -1.372 -3.738 1.00 0.41 H new ATOM 0 HD2 PHE A 626 2.913 -0.674 -6.859 1.00 0.65 H new ATOM 0 HE1 PHE A 626 0.686 0.776 -2.674 1.00 0.73 H new ATOM 0 HE2 PHE A 626 3.547 1.473 -5.799 1.00 0.90 H new ATOM 0 HZ PHE A 626 2.434 2.198 -3.707 1.00 0.92 H new ATOM 863 N LYS A 627 -0.780 -0.028 -6.997 1.00 0.22 N ATOM 864 CA LYS A 627 -0.860 1.326 -7.620 1.00 0.19 C ATOM 865 C LYS A 627 -0.187 2.370 -6.723 1.00 0.19 C ATOM 866 O LYS A 627 -0.347 2.372 -5.518 1.00 0.22 O ATOM 867 CB LYS A 627 -2.349 1.595 -7.799 1.00 0.21 C ATOM 868 CG LYS A 627 -2.627 3.102 -7.813 1.00 0.26 C ATOM 869 CD LYS A 627 -3.970 3.370 -8.495 1.00 0.89 C ATOM 870 CE LYS A 627 -3.737 3.686 -9.975 1.00 0.52 C ATOM 871 NZ LYS A 627 -4.841 4.614 -10.348 1.00 0.94 N ATOM 0 H LYS A 627 -1.226 -0.111 -6.083 1.00 0.22 H new ATOM 0 HA LYS A 627 -0.337 1.379 -8.575 1.00 0.19 H new ATOM 0 HB2 LYS A 627 -2.696 1.147 -8.730 1.00 0.21 H new ATOM 0 HB3 LYS A 627 -2.909 1.124 -6.991 1.00 0.21 H new ATOM 0 HG2 LYS A 627 -2.642 3.489 -6.794 1.00 0.26 H new ATOM 0 HG3 LYS A 627 -1.829 3.624 -8.341 1.00 0.26 H new ATOM 0 HD2 LYS A 627 -4.620 2.501 -8.396 1.00 0.89 H new ATOM 0 HD3 LYS A 627 -4.477 4.204 -8.009 1.00 0.89 H new ATOM 0 HE2 LYS A 627 -2.762 4.149 -10.131 1.00 0.52 H new ATOM 0 HE3 LYS A 627 -3.761 2.780 -10.581 1.00 0.52 H new ATOM 0 HZ1 LYS A 627 -4.450 5.430 -10.861 1.00 0.94 H new ATOM 0 HZ2 LYS A 627 -5.522 4.117 -10.957 1.00 0.94 H new ATOM 0 HZ3 LYS A 627 -5.323 4.944 -9.487 1.00 0.94 H new ATOM 885 N LYS A 628 0.573 3.251 -7.313 1.00 0.19 N ATOM 886 CA LYS A 628 1.280 4.300 -6.520 1.00 0.22 C ATOM 887 C LYS A 628 1.127 5.665 -7.190 1.00 0.24 C ATOM 888 O LYS A 628 0.775 5.756 -8.346 1.00 0.24 O ATOM 889 CB LYS A 628 2.741 3.878 -6.508 1.00 0.25 C ATOM 890 CG LYS A 628 3.304 4.005 -5.089 1.00 0.34 C ATOM 891 CD LYS A 628 4.167 5.265 -4.990 1.00 0.61 C ATOM 892 CE LYS A 628 4.707 5.406 -3.565 1.00 1.48 C ATOM 893 NZ LYS A 628 6.125 5.833 -3.731 1.00 1.94 N ATOM 0 H LYS A 628 0.737 3.290 -8.319 1.00 0.19 H new ATOM 0 HA LYS A 628 0.874 4.391 -5.512 1.00 0.22 H new ATOM 0 HB2 LYS A 628 2.835 2.849 -6.856 1.00 0.25 H new ATOM 0 HB3 LYS A 628 3.315 4.501 -7.194 1.00 0.25 H new ATOM 0 HG2 LYS A 628 2.489 4.052 -4.367 1.00 0.34 H new ATOM 0 HG3 LYS A 628 3.898 3.125 -4.842 1.00 0.34 H new ATOM 0 HD2 LYS A 628 4.993 5.209 -5.699 1.00 0.61 H new ATOM 0 HD3 LYS A 628 3.578 6.143 -5.255 1.00 0.61 H new ATOM 0 HE2 LYS A 628 4.137 6.142 -2.998 1.00 1.48 H new ATOM 0 HE3 LYS A 628 4.640 4.463 -3.022 1.00 1.48 H new ATOM 0 HZ1 LYS A 628 6.564 5.951 -2.796 1.00 1.94 H new ATOM 0 HZ2 LYS A 628 6.645 5.110 -4.269 1.00 1.94 H new ATOM 0 HZ3 LYS A 628 6.158 6.737 -4.245 1.00 1.94 H new ATOM 907 N ARG A 629 1.389 6.728 -6.477 1.00 0.29 N ATOM 908 CA ARG A 629 1.256 8.077 -7.094 1.00 0.34 C ATOM 909 C ARG A 629 2.488 8.343 -7.967 1.00 0.36 C ATOM 910 O ARG A 629 3.602 8.417 -7.486 1.00 0.40 O ATOM 911 CB ARG A 629 1.164 9.052 -5.902 1.00 0.40 C ATOM 912 CG ARG A 629 1.971 10.339 -6.157 1.00 0.56 C ATOM 913 CD ARG A 629 1.435 11.067 -7.396 1.00 0.73 C ATOM 914 NE ARG A 629 1.773 12.500 -7.172 1.00 1.03 N ATOM 915 CZ ARG A 629 1.071 13.212 -6.333 1.00 1.35 C ATOM 916 NH1 ARG A 629 -0.230 13.241 -6.430 1.00 2.13 N ATOM 917 NH2 ARG A 629 1.670 13.897 -5.397 1.00 1.56 N ATOM 0 H ARG A 629 1.687 6.720 -5.502 1.00 0.29 H new ATOM 0 HA ARG A 629 0.384 8.182 -7.740 1.00 0.34 H new ATOM 0 HB2 ARG A 629 0.120 9.307 -5.720 1.00 0.40 H new ATOM 0 HB3 ARG A 629 1.534 8.562 -5.001 1.00 0.40 H new ATOM 0 HG2 ARG A 629 1.909 10.993 -5.287 1.00 0.56 H new ATOM 0 HG3 ARG A 629 3.024 10.094 -6.298 1.00 0.56 H new ATOM 0 HD2 ARG A 629 1.898 10.689 -8.308 1.00 0.73 H new ATOM 0 HD3 ARG A 629 0.359 10.926 -7.503 1.00 0.73 H new ATOM 0 HE ARG A 629 2.553 12.925 -7.674 1.00 1.03 H new ATOM 0 HH11 ARG A 629 -0.699 12.707 -7.162 1.00 2.13 H new ATOM 0 HH12 ARG A 629 -0.778 13.798 -5.774 1.00 2.13 H new ATOM 0 HH21 ARG A 629 2.687 13.876 -5.321 1.00 1.56 H new ATOM 0 HH22 ARG A 629 1.121 14.453 -4.742 1.00 1.56 H new ATOM 931 N HIS A 630 2.290 8.462 -9.255 1.00 0.37 N ATOM 932 CA HIS A 630 3.442 8.700 -10.169 1.00 0.41 C ATOM 933 C HIS A 630 4.180 9.979 -9.790 1.00 0.50 C ATOM 934 O HIS A 630 3.606 11.049 -9.720 1.00 0.57 O ATOM 935 CB HIS A 630 2.840 8.829 -11.558 1.00 0.43 C ATOM 936 CG HIS A 630 3.851 8.386 -12.580 1.00 0.47 C ATOM 937 ND1 HIS A 630 3.585 7.386 -13.502 1.00 0.48 N ATOM 938 CD2 HIS A 630 5.138 8.793 -12.831 1.00 0.64 C ATOM 939 CE1 HIS A 630 4.690 7.224 -14.255 1.00 0.59 C ATOM 940 NE2 HIS A 630 5.666 8.058 -13.888 1.00 0.70 N ATOM 0 H HIS A 630 1.379 8.404 -9.711 1.00 0.37 H new ATOM 0 HA HIS A 630 4.169 7.890 -10.114 1.00 0.41 H new ATOM 0 HB2 HIS A 630 1.938 8.221 -11.634 1.00 0.43 H new ATOM 0 HB3 HIS A 630 2.545 9.862 -11.745 1.00 0.43 H new ATOM 0 HD2 HIS A 630 5.662 9.567 -12.290 1.00 0.64 H new ATOM 0 HE1 HIS A 630 4.776 6.507 -15.058 1.00 0.59 H new ATOM 0 HE2 HIS A 630 6.598 8.139 -14.295 1.00 0.70 H new ATOM 1126 N LEU A 644 0.325 11.931 -10.438 1.00 0.57 N ATOM 1127 CA LEU A 644 -0.979 11.229 -10.562 1.00 0.53 C ATOM 1128 C LEU A 644 -0.838 9.816 -9.998 1.00 0.44 C ATOM 1129 O LEU A 644 -0.006 9.572 -9.151 1.00 0.39 O ATOM 1130 CB LEU A 644 -1.254 11.207 -12.057 1.00 0.63 C ATOM 1131 CG LEU A 644 -1.549 12.630 -12.529 1.00 0.68 C ATOM 1132 CD1 LEU A 644 -0.262 13.287 -13.032 1.00 1.04 C ATOM 1133 CD2 LEU A 644 -2.574 12.583 -13.661 1.00 1.23 C ATOM 0 HA LEU A 644 -1.791 11.709 -10.016 1.00 0.53 H new ATOM 0 HB2 LEU A 644 -0.394 10.803 -12.592 1.00 0.63 H new ATOM 0 HB3 LEU A 644 -2.100 10.555 -12.275 1.00 0.63 H new ATOM 0 HG LEU A 644 -1.946 13.212 -11.697 1.00 0.68 H new ATOM 0 HD11 LEU A 644 -0.478 14.301 -13.367 1.00 1.04 H new ATOM 0 HD12 LEU A 644 0.469 13.320 -12.224 1.00 1.04 H new ATOM 0 HD13 LEU A 644 0.141 12.708 -13.863 1.00 1.04 H new ATOM 0 HD21 LEU A 644 -2.787 13.596 -14.001 1.00 1.23 H new ATOM 0 HD22 LEU A 644 -2.174 11.999 -14.490 1.00 1.23 H new ATOM 0 HD23 LEU A 644 -3.493 12.120 -13.301 1.00 1.23 H new ATOM 1145 N ASP A 645 -1.632 8.884 -10.447 1.00 0.46 N ATOM 1146 CA ASP A 645 -1.509 7.500 -9.902 1.00 0.40 C ATOM 1147 C ASP A 645 -0.994 6.527 -10.967 1.00 0.34 C ATOM 1148 O ASP A 645 -1.578 6.376 -12.022 1.00 0.45 O ATOM 1149 CB ASP A 645 -2.927 7.121 -9.476 1.00 0.52 C ATOM 1150 CG ASP A 645 -3.199 7.655 -8.068 1.00 0.76 C ATOM 1151 OD1 ASP A 645 -2.326 7.523 -7.227 1.00 1.54 O ATOM 1152 OD2 ASP A 645 -4.276 8.188 -7.857 1.00 1.19 O ATOM 0 H ASP A 645 -2.352 9.016 -11.158 1.00 0.46 H new ATOM 0 HA ASP A 645 -0.798 7.453 -9.077 1.00 0.40 H new ATOM 0 HB2 ASP A 645 -3.651 7.533 -10.179 1.00 0.52 H new ATOM 0 HB3 ASP A 645 -3.046 6.038 -9.494 1.00 0.52 H new ATOM 1157 N ASP A 646 0.087 5.849 -10.681 1.00 0.24 N ATOM 1158 CA ASP A 646 0.642 4.863 -11.653 1.00 0.22 C ATOM 1159 C ASP A 646 0.430 3.439 -11.122 1.00 0.20 C ATOM 1160 O ASP A 646 0.467 3.201 -9.931 1.00 0.32 O ATOM 1161 CB ASP A 646 2.133 5.185 -11.738 1.00 0.28 C ATOM 1162 CG ASP A 646 2.734 4.500 -12.966 1.00 0.43 C ATOM 1163 OD1 ASP A 646 2.201 4.690 -14.046 1.00 1.17 O ATOM 1164 OD2 ASP A 646 3.718 3.796 -12.806 1.00 1.20 O ATOM 0 H ASP A 646 0.612 5.937 -9.811 1.00 0.24 H new ATOM 0 HA ASP A 646 0.160 4.921 -12.629 1.00 0.22 H new ATOM 0 HB2 ASP A 646 2.280 6.263 -11.802 1.00 0.28 H new ATOM 0 HB3 ASP A 646 2.641 4.847 -10.835 1.00 0.28 H new ATOM 1169 N ILE A 647 0.216 2.493 -11.996 1.00 0.18 N ATOM 1170 CA ILE A 647 0.009 1.082 -11.539 1.00 0.17 C ATOM 1171 C ILE A 647 1.281 0.268 -11.762 1.00 0.18 C ATOM 1172 O ILE A 647 1.867 0.288 -12.826 1.00 0.20 O ATOM 1173 CB ILE A 647 -1.149 0.526 -12.377 1.00 0.19 C ATOM 1174 CG1 ILE A 647 -0.937 0.845 -13.864 1.00 0.24 C ATOM 1175 CG2 ILE A 647 -2.457 1.157 -11.902 1.00 0.21 C ATOM 1176 CD1 ILE A 647 -1.885 -0.004 -14.716 1.00 0.29 C ATOM 0 H ILE A 647 0.175 2.632 -13.006 1.00 0.18 H new ATOM 0 HA ILE A 647 -0.222 1.032 -10.475 1.00 0.17 H new ATOM 0 HB ILE A 647 -1.190 -0.556 -12.255 1.00 0.19 H new ATOM 0 HG12 ILE A 647 -1.118 1.904 -14.048 1.00 0.24 H new ATOM 0 HG13 ILE A 647 0.097 0.645 -14.145 1.00 0.24 H new ATOM 0 HG21 ILE A 647 -3.285 0.766 -12.493 1.00 0.21 H new ATOM 0 HG22 ILE A 647 -2.616 0.916 -10.851 1.00 0.21 H new ATOM 0 HG23 ILE A 647 -2.404 2.239 -12.022 1.00 0.21 H new ATOM 0 HD11 ILE A 647 -1.731 0.226 -15.770 1.00 0.29 H new ATOM 0 HD12 ILE A 647 -1.683 -1.061 -14.542 1.00 0.29 H new ATOM 0 HD13 ILE A 647 -2.917 0.218 -14.443 1.00 0.29 H new ATOM 1188 N TRP A 648 1.713 -0.439 -10.756 1.00 0.17 N ATOM 1189 CA TRP A 648 2.956 -1.251 -10.892 1.00 0.19 C ATOM 1190 C TRP A 648 2.657 -2.739 -10.689 1.00 0.19 C ATOM 1191 O TRP A 648 2.218 -3.149 -9.632 1.00 0.23 O ATOM 1192 CB TRP A 648 3.875 -0.756 -9.774 1.00 0.21 C ATOM 1193 CG TRP A 648 4.183 0.692 -9.968 1.00 0.22 C ATOM 1194 CD1 TRP A 648 3.507 1.717 -9.394 1.00 0.22 C ATOM 1195 CD2 TRP A 648 5.237 1.293 -10.769 1.00 0.24 C ATOM 1196 NE1 TRP A 648 4.075 2.909 -9.805 1.00 0.24 N ATOM 1197 CE2 TRP A 648 5.146 2.699 -10.653 1.00 0.25 C ATOM 1198 CE3 TRP A 648 6.252 0.757 -11.581 1.00 0.27 C ATOM 1199 CZ2 TRP A 648 6.032 3.547 -11.320 1.00 0.29 C ATOM 1200 CZ3 TRP A 648 7.146 1.607 -12.254 1.00 0.31 C ATOM 1201 CH2 TRP A 648 7.034 2.999 -12.124 1.00 0.32 C ATOM 0 H TRP A 648 1.259 -0.490 -9.844 1.00 0.17 H new ATOM 0 HA TRP A 648 3.400 -1.144 -11.882 1.00 0.19 H new ATOM 0 HB2 TRP A 648 3.398 -0.908 -8.806 1.00 0.21 H new ATOM 0 HB3 TRP A 648 4.799 -1.335 -9.768 1.00 0.21 H new ATOM 0 HD1 TRP A 648 2.664 1.619 -8.726 1.00 0.22 H new ATOM 0 HE1 TRP A 648 3.744 3.830 -9.518 1.00 0.24 H new ATOM 0 HE3 TRP A 648 6.345 -0.314 -11.688 1.00 0.27 H new ATOM 0 HZ2 TRP A 648 5.943 4.618 -11.215 1.00 0.29 H new ATOM 0 HZ3 TRP A 648 7.923 1.186 -12.875 1.00 0.31 H new ATOM 0 HH2 TRP A 648 7.723 3.647 -12.646 1.00 0.32 H new ATOM 1212 N TYR A 649 2.918 -3.554 -11.676 1.00 0.21 N ATOM 1213 CA TYR A 649 2.674 -5.015 -11.511 1.00 0.20 C ATOM 1214 C TYR A 649 3.858 -5.619 -10.752 1.00 0.20 C ATOM 1215 O TYR A 649 4.975 -5.617 -11.231 1.00 0.21 O ATOM 1216 CB TYR A 649 2.572 -5.567 -12.929 1.00 0.22 C ATOM 1217 CG TYR A 649 2.995 -7.020 -12.968 1.00 0.21 C ATOM 1218 CD1 TYR A 649 2.190 -7.998 -12.372 1.00 0.19 C ATOM 1219 CD2 TYR A 649 4.190 -7.385 -13.600 1.00 0.31 C ATOM 1220 CE1 TYR A 649 2.581 -9.342 -12.408 1.00 0.22 C ATOM 1221 CE2 TYR A 649 4.580 -8.729 -13.635 1.00 0.33 C ATOM 1222 CZ TYR A 649 3.775 -9.707 -13.040 1.00 0.26 C ATOM 1223 OH TYR A 649 4.158 -11.034 -13.076 1.00 0.31 O ATOM 0 H TYR A 649 3.288 -3.273 -12.584 1.00 0.21 H new ATOM 0 HA TYR A 649 1.771 -5.247 -10.946 1.00 0.20 H new ATOM 0 HB2 TYR A 649 1.548 -5.471 -13.289 1.00 0.22 H new ATOM 0 HB3 TYR A 649 3.202 -4.981 -13.599 1.00 0.22 H new ATOM 0 HD1 TYR A 649 1.268 -7.716 -11.885 1.00 0.19 H new ATOM 0 HD2 TYR A 649 4.810 -6.630 -14.060 1.00 0.31 H new ATOM 0 HE1 TYR A 649 1.961 -10.097 -11.948 1.00 0.22 H new ATOM 0 HE2 TYR A 649 5.502 -9.011 -14.121 1.00 0.33 H new ATOM 0 HH TYR A 649 4.389 -11.283 -13.995 1.00 0.31 H new ATOM 1233 N CYS A 650 3.632 -6.109 -9.565 1.00 0.19 N ATOM 1234 CA CYS A 650 4.761 -6.678 -8.779 1.00 0.20 C ATOM 1235 C CYS A 650 4.701 -8.206 -8.734 1.00 0.19 C ATOM 1236 O CYS A 650 3.805 -8.787 -8.155 1.00 0.22 O ATOM 1237 CB CYS A 650 4.593 -6.103 -7.375 1.00 0.22 C ATOM 1238 SG CYS A 650 6.198 -5.548 -6.746 1.00 1.12 S ATOM 0 H CYS A 650 2.721 -6.140 -9.108 1.00 0.19 H new ATOM 0 HA CYS A 650 5.722 -6.424 -9.225 1.00 0.20 H new ATOM 0 HB2 CYS A 650 3.891 -5.269 -7.395 1.00 0.22 H new ATOM 0 HB3 CYS A 650 4.172 -6.858 -6.710 1.00 0.22 H new ATOM 0 HG CYS A 650 6.050 -5.058 -5.551 1.00 1.12 H new ATOM 1244 N HIS A 651 5.662 -8.858 -9.330 1.00 0.17 N ATOM 1245 CA HIS A 651 5.680 -10.352 -9.311 1.00 0.17 C ATOM 1246 C HIS A 651 6.094 -10.854 -7.920 1.00 0.17 C ATOM 1247 O HIS A 651 6.682 -10.126 -7.143 1.00 0.20 O ATOM 1248 CB HIS A 651 6.726 -10.732 -10.352 1.00 0.21 C ATOM 1249 CG HIS A 651 6.922 -12.220 -10.359 1.00 0.17 C ATOM 1250 ND1 HIS A 651 7.571 -13.065 -9.488 1.00 0.21 N flip ATOM 1251 CD2 HIS A 651 6.426 -13.030 -11.383 1.00 0.24 C flip ATOM 1252 CE1 HIS A 651 7.469 -14.349 -9.975 1.00 0.20 C flip ATOM 1253 NE2 HIS A 651 6.783 -14.298 -11.105 1.00 0.23 N flip ATOM 0 H HIS A 651 6.437 -8.422 -9.830 1.00 0.17 H new ATOM 0 HA HIS A 651 4.705 -10.789 -9.528 1.00 0.17 H new ATOM 0 HB2 HIS A 651 6.410 -10.393 -11.339 1.00 0.21 H new ATOM 0 HB3 HIS A 651 7.670 -10.233 -10.131 1.00 0.21 H new ATOM 0 HD1 HIS A 651 8.046 -12.788 -8.629 1.00 0.21 H new ATOM 0 HD2 HIS A 651 5.860 -12.700 -12.241 1.00 0.24 H new ATOM 0 HE1 HIS A 651 7.876 -15.238 -9.517 1.00 0.20 H new ATOM 1261 N THR A 652 5.783 -12.088 -7.599 1.00 0.18 N ATOM 1262 CA THR A 652 6.143 -12.629 -6.250 1.00 0.21 C ATOM 1263 C THR A 652 6.404 -14.157 -6.261 1.00 0.22 C ATOM 1264 O THR A 652 7.193 -14.624 -5.460 1.00 0.27 O ATOM 1265 CB THR A 652 4.968 -12.285 -5.330 1.00 0.21 C ATOM 1266 OG1 THR A 652 4.061 -11.418 -6.002 1.00 0.25 O ATOM 1267 CG2 THR A 652 5.485 -11.595 -4.067 1.00 0.31 C ATOM 0 H THR A 652 5.296 -12.742 -8.212 1.00 0.18 H new ATOM 0 HA THR A 652 7.077 -12.184 -5.908 1.00 0.21 H new ATOM 0 HB THR A 652 4.452 -13.206 -5.058 1.00 0.21 H new ATOM 0 HG1 THR A 652 3.141 -11.677 -5.787 1.00 0.25 H new ATOM 0 HG21 THR A 652 4.646 -11.352 -3.416 1.00 0.31 H new ATOM 0 HG22 THR A 652 6.170 -12.261 -3.543 1.00 0.31 H new ATOM 0 HG23 THR A 652 6.008 -10.679 -4.341 1.00 0.31 H new ATOM 1275 N GLY A 653 5.780 -14.969 -7.112 1.00 0.18 N ATOM 1276 CA GLY A 653 6.092 -16.428 -7.031 1.00 0.20 C ATOM 1277 C GLY A 653 7.444 -16.701 -7.715 1.00 0.26 C ATOM 1278 O GLY A 653 8.214 -15.792 -7.957 1.00 0.72 O ATOM 0 H GLY A 653 5.103 -14.689 -7.821 1.00 0.18 H new ATOM 0 HA2 GLY A 653 6.128 -16.746 -5.989 1.00 0.20 H new ATOM 0 HA3 GLY A 653 5.304 -17.007 -7.514 1.00 0.20 H new ATOM 1282 N THR A 654 7.771 -17.944 -7.961 1.00 0.41 N ATOM 1283 CA THR A 654 9.115 -18.272 -8.551 1.00 0.42 C ATOM 1284 C THR A 654 9.106 -18.412 -10.079 1.00 0.41 C ATOM 1285 O THR A 654 10.147 -18.380 -10.706 1.00 0.42 O ATOM 1286 CB THR A 654 9.464 -19.616 -7.928 1.00 0.50 C ATOM 1287 OG1 THR A 654 9.309 -19.541 -6.518 1.00 0.54 O ATOM 1288 CG2 THR A 654 10.910 -19.982 -8.270 1.00 0.54 C ATOM 0 H THR A 654 7.170 -18.748 -7.781 1.00 0.41 H new ATOM 0 HA THR A 654 9.825 -17.471 -8.345 1.00 0.42 H new ATOM 0 HB THR A 654 8.797 -20.382 -8.324 1.00 0.50 H new ATOM 0 HG1 THR A 654 9.695 -18.702 -6.191 1.00 0.54 H new ATOM 0 HG21 THR A 654 11.157 -20.945 -7.823 1.00 0.54 H new ATOM 0 HG22 THR A 654 11.023 -20.045 -9.352 1.00 0.54 H new ATOM 0 HG23 THR A 654 11.581 -19.217 -7.879 1.00 0.54 H new ATOM 1296 N ASN A 655 7.971 -18.595 -10.684 1.00 0.40 N ATOM 1297 CA ASN A 655 7.948 -18.771 -12.177 1.00 0.44 C ATOM 1298 C ASN A 655 8.504 -17.551 -12.917 1.00 0.39 C ATOM 1299 O ASN A 655 8.629 -17.552 -14.124 1.00 0.43 O ATOM 1300 CB ASN A 655 6.492 -19.030 -12.550 1.00 0.47 C ATOM 1301 CG ASN A 655 6.015 -20.305 -11.849 1.00 0.82 C ATOM 1302 OD1 ASN A 655 5.005 -20.306 -11.175 1.00 1.79 O ATOM 1303 ND2 ASN A 655 6.709 -21.403 -11.984 1.00 0.95 N ATOM 0 H ASN A 655 7.061 -18.632 -10.224 1.00 0.40 H new ATOM 0 HA ASN A 655 8.590 -19.600 -12.473 1.00 0.44 H new ATOM 0 HB2 ASN A 655 5.872 -18.184 -12.254 1.00 0.47 H new ATOM 0 HB3 ASN A 655 6.394 -19.135 -13.630 1.00 0.47 H new ATOM 0 HD21 ASN A 655 6.402 -22.260 -11.524 1.00 0.95 H new ATOM 0 HD22 ASN A 655 7.558 -21.404 -12.550 1.00 0.95 H new ATOM 1310 N VAL A 656 8.830 -16.524 -12.198 1.00 0.31 N ATOM 1311 CA VAL A 656 9.385 -15.269 -12.810 1.00 0.28 C ATOM 1312 C VAL A 656 8.283 -14.470 -13.487 1.00 0.27 C ATOM 1313 O VAL A 656 7.182 -14.941 -13.695 1.00 0.44 O ATOM 1314 CB VAL A 656 10.471 -15.689 -13.815 1.00 0.33 C ATOM 1315 CG1 VAL A 656 9.998 -15.492 -15.263 1.00 1.46 C ATOM 1316 CG2 VAL A 656 11.730 -14.846 -13.584 1.00 1.35 C ATOM 0 H VAL A 656 8.737 -16.490 -11.183 1.00 0.31 H new ATOM 0 HA VAL A 656 9.815 -14.624 -12.044 1.00 0.28 H new ATOM 0 HB VAL A 656 10.685 -16.747 -13.661 1.00 0.33 H new ATOM 0 HG11 VAL A 656 10.788 -15.798 -15.949 1.00 1.46 H new ATOM 0 HG12 VAL A 656 9.109 -16.097 -15.441 1.00 1.46 H new ATOM 0 HG13 VAL A 656 9.761 -14.441 -15.428 1.00 1.46 H new ATOM 0 HG21 VAL A 656 12.501 -15.142 -14.295 1.00 1.35 H new ATOM 0 HG22 VAL A 656 11.492 -13.791 -13.724 1.00 1.35 H new ATOM 0 HG23 VAL A 656 12.093 -15.005 -12.568 1.00 1.35 H new ATOM 1326 N SER A 657 8.582 -13.258 -13.816 1.00 0.26 N ATOM 1327 CA SER A 657 7.563 -12.385 -14.463 1.00 0.24 C ATOM 1328 C SER A 657 8.081 -11.855 -15.804 1.00 0.24 C ATOM 1329 O SER A 657 9.256 -11.591 -15.963 1.00 0.29 O ATOM 1330 CB SER A 657 7.348 -11.230 -13.476 1.00 0.24 C ATOM 1331 OG SER A 657 8.354 -11.264 -12.464 1.00 0.25 O ATOM 0 H SER A 657 9.493 -12.823 -13.667 1.00 0.26 H new ATOM 0 HA SER A 657 6.639 -12.922 -14.675 1.00 0.24 H new ATOM 0 HB2 SER A 657 7.383 -10.277 -14.004 1.00 0.24 H new ATOM 0 HB3 SER A 657 6.360 -11.307 -13.022 1.00 0.24 H new ATOM 0 HG SER A 657 8.420 -10.384 -12.038 1.00 0.25 H new ATOM 1337 N TYR A 658 7.212 -11.694 -16.769 1.00 0.23 N ATOM 1338 CA TYR A 658 7.662 -11.177 -18.096 1.00 0.28 C ATOM 1339 C TYR A 658 6.693 -10.109 -18.616 1.00 0.30 C ATOM 1340 O TYR A 658 5.503 -10.337 -18.720 1.00 0.32 O ATOM 1341 CB TYR A 658 7.651 -12.396 -19.020 1.00 0.34 C ATOM 1342 CG TYR A 658 8.967 -13.130 -18.914 1.00 0.48 C ATOM 1343 CD1 TYR A 658 10.149 -12.516 -19.347 1.00 0.73 C ATOM 1344 CD2 TYR A 658 9.004 -14.425 -18.382 1.00 0.69 C ATOM 1345 CE1 TYR A 658 11.366 -13.199 -19.250 1.00 0.95 C ATOM 1346 CE2 TYR A 658 10.223 -15.107 -18.285 1.00 0.89 C ATOM 1347 CZ TYR A 658 11.405 -14.494 -18.719 1.00 0.96 C ATOM 1348 OH TYR A 658 12.606 -15.166 -18.624 1.00 1.22 O ATOM 0 H TYR A 658 6.215 -11.897 -16.696 1.00 0.23 H new ATOM 0 HA TYR A 658 8.645 -10.710 -18.039 1.00 0.28 H new ATOM 0 HB2 TYR A 658 6.830 -13.061 -18.750 1.00 0.34 H new ATOM 0 HB3 TYR A 658 7.481 -12.082 -20.050 1.00 0.34 H new ATOM 0 HD1 TYR A 658 10.121 -11.517 -19.755 1.00 0.73 H new ATOM 0 HD2 TYR A 658 8.093 -14.897 -18.047 1.00 0.69 H new ATOM 0 HE1 TYR A 658 12.277 -12.726 -19.585 1.00 0.95 H new ATOM 0 HE2 TYR A 658 10.252 -16.106 -17.875 1.00 0.89 H new ATOM 0 HH TYR A 658 12.455 -16.052 -18.233 1.00 1.22 H new ATOM 1358 N LEU A 659 7.195 -8.950 -18.958 1.00 0.32 N ATOM 1359 CA LEU A 659 6.304 -7.872 -19.489 1.00 0.37 C ATOM 1360 C LEU A 659 6.861 -7.339 -20.811 1.00 0.40 C ATOM 1361 O LEU A 659 7.879 -6.678 -20.842 1.00 0.40 O ATOM 1362 CB LEU A 659 6.301 -6.769 -18.425 1.00 0.35 C ATOM 1363 CG LEU A 659 4.886 -6.180 -18.308 1.00 0.78 C ATOM 1364 CD1 LEU A 659 4.343 -6.422 -16.902 1.00 1.28 C ATOM 1365 CD2 LEU A 659 4.916 -4.672 -18.578 1.00 1.21 C ATOM 0 H LEU A 659 8.182 -8.703 -18.893 1.00 0.32 H new ATOM 0 HA LEU A 659 5.296 -8.238 -19.684 1.00 0.37 H new ATOM 0 HB2 LEU A 659 6.619 -7.174 -17.464 1.00 0.35 H new ATOM 0 HB3 LEU A 659 7.012 -5.987 -18.693 1.00 0.35 H new ATOM 0 HG LEU A 659 4.244 -6.666 -19.043 1.00 0.78 H new ATOM 0 HD11 LEU A 659 3.340 -6.003 -16.822 1.00 1.28 H new ATOM 0 HD12 LEU A 659 4.306 -7.494 -16.706 1.00 1.28 H new ATOM 0 HD13 LEU A 659 4.995 -5.942 -16.172 1.00 1.28 H new ATOM 0 HD21 LEU A 659 3.908 -4.267 -18.492 1.00 1.21 H new ATOM 0 HD22 LEU A 659 5.566 -4.185 -17.851 1.00 1.21 H new ATOM 0 HD23 LEU A 659 5.296 -4.490 -19.583 1.00 1.21 H new ATOM 1377 N ASN A 660 6.198 -7.625 -21.903 1.00 0.48 N ATOM 1378 CA ASN A 660 6.677 -7.144 -23.237 1.00 0.55 C ATOM 1379 C ASN A 660 8.072 -7.709 -23.539 1.00 0.54 C ATOM 1380 O ASN A 660 8.211 -8.673 -24.264 1.00 0.60 O ATOM 1381 CB ASN A 660 6.716 -5.613 -23.137 1.00 0.54 C ATOM 1382 CG ASN A 660 5.665 -5.012 -24.073 1.00 0.95 C ATOM 1383 OD1 ASN A 660 4.504 -5.360 -24.005 1.00 1.73 O ATOM 1384 ND2 ASN A 660 6.026 -4.116 -24.951 1.00 1.52 N ATOM 0 H ASN A 660 5.339 -8.175 -21.929 1.00 0.48 H new ATOM 0 HA ASN A 660 6.023 -7.472 -24.045 1.00 0.55 H new ATOM 0 HB2 ASN A 660 6.525 -5.300 -22.110 1.00 0.54 H new ATOM 0 HB3 ASN A 660 7.707 -5.246 -23.403 1.00 0.54 H new ATOM 0 HD21 ASN A 660 5.333 -3.709 -25.579 1.00 1.52 H new ATOM 0 HD22 ASN A 660 7.001 -3.823 -25.009 1.00 1.52 H new ATOM 1391 N ASN A 661 9.101 -7.119 -22.991 1.00 0.52 N ATOM 1392 CA ASN A 661 10.480 -7.628 -23.251 1.00 0.55 C ATOM 1393 C ASN A 661 11.360 -7.437 -22.011 1.00 0.49 C ATOM 1394 O ASN A 661 12.569 -7.344 -22.107 1.00 0.52 O ATOM 1395 CB ASN A 661 11.002 -6.783 -24.414 1.00 0.62 C ATOM 1396 CG ASN A 661 10.956 -7.602 -25.706 1.00 1.46 C ATOM 1397 OD1 ASN A 661 11.921 -7.479 -26.576 1.00 2.19 O flip ATOM 1398 ND2 ASN A 661 10.033 -8.361 -25.925 1.00 2.19 N flip ATOM 0 H ASN A 661 9.047 -6.308 -22.375 1.00 0.52 H new ATOM 0 HA ASN A 661 10.489 -8.693 -23.484 1.00 0.55 H new ATOM 0 HB2 ASN A 661 10.398 -5.882 -24.521 1.00 0.62 H new ATOM 0 HB3 ASN A 661 12.023 -6.460 -24.212 1.00 0.62 H new ATOM 0 HD21 ASN A 661 9.279 -8.457 -25.245 1.00 2.19 H new ATOM 0 HD22 ASN A 661 10.012 -8.902 -26.789 1.00 2.19 H new ATOM 1405 N ASN A 662 10.765 -7.378 -20.849 1.00 0.43 N ATOM 1406 CA ASN A 662 11.571 -7.193 -19.606 1.00 0.40 C ATOM 1407 C ASN A 662 11.379 -8.387 -18.666 1.00 0.36 C ATOM 1408 O ASN A 662 10.289 -8.657 -18.203 1.00 0.39 O ATOM 1409 CB ASN A 662 11.024 -5.914 -18.967 1.00 0.37 C ATOM 1410 CG ASN A 662 12.003 -4.762 -19.207 1.00 0.65 C ATOM 1411 OD1 ASN A 662 12.580 -4.236 -18.276 1.00 1.45 O ATOM 1412 ND2 ASN A 662 12.215 -4.347 -20.426 1.00 1.21 N ATOM 0 H ASN A 662 9.758 -7.450 -20.707 1.00 0.43 H new ATOM 0 HA ASN A 662 12.639 -7.122 -19.813 1.00 0.40 H new ATOM 0 HB2 ASN A 662 10.050 -5.671 -19.391 1.00 0.37 H new ATOM 0 HB3 ASN A 662 10.878 -6.064 -17.897 1.00 0.37 H new ATOM 0 HD21 ASN A 662 12.866 -3.580 -20.598 1.00 1.21 H new ATOM 0 HD22 ASN A 662 11.730 -4.789 -21.207 1.00 1.21 H new ATOM 1419 N ARG A 663 12.435 -9.103 -18.381 1.00 0.39 N ATOM 1420 CA ARG A 663 12.320 -10.279 -17.470 1.00 0.36 C ATOM 1421 C ARG A 663 12.411 -9.825 -16.011 1.00 0.32 C ATOM 1422 O ARG A 663 13.181 -8.947 -15.673 1.00 0.38 O ATOM 1423 CB ARG A 663 13.506 -11.176 -17.829 1.00 0.42 C ATOM 1424 CG ARG A 663 13.368 -12.522 -17.111 1.00 0.63 C ATOM 1425 CD ARG A 663 14.362 -12.590 -15.947 1.00 0.66 C ATOM 1426 NE ARG A 663 15.444 -13.498 -16.417 1.00 1.19 N ATOM 1427 CZ ARG A 663 16.661 -13.350 -15.969 1.00 1.72 C ATOM 1428 NH1 ARG A 663 16.871 -13.196 -14.690 1.00 2.11 N ATOM 1429 NH2 ARG A 663 17.668 -13.356 -16.799 1.00 2.43 N ATOM 0 H ARG A 663 13.373 -8.924 -18.740 1.00 0.39 H new ATOM 0 HA ARG A 663 11.369 -10.799 -17.583 1.00 0.36 H new ATOM 0 HB2 ARG A 663 13.545 -11.330 -18.907 1.00 0.42 H new ATOM 0 HB3 ARG A 663 14.440 -10.693 -17.542 1.00 0.42 H new ATOM 0 HG2 ARG A 663 12.350 -12.645 -16.741 1.00 0.63 H new ATOM 0 HG3 ARG A 663 13.554 -13.338 -17.809 1.00 0.63 H new ATOM 0 HD2 ARG A 663 14.753 -11.602 -15.704 1.00 0.66 H new ATOM 0 HD3 ARG A 663 13.887 -12.976 -15.045 1.00 0.66 H new ATOM 0 HE ARG A 663 15.234 -14.236 -17.089 1.00 1.19 H new ATOM 0 HH11 ARG A 663 16.084 -13.191 -14.041 1.00 2.11 H new ATOM 0 HH12 ARG A 663 17.822 -13.080 -14.340 1.00 2.11 H new ATOM 0 HH21 ARG A 663 17.504 -13.476 -17.799 1.00 2.43 H new ATOM 0 HH22 ARG A 663 18.619 -13.240 -16.448 1.00 2.43 H new ATOM 1443 N MET A 664 11.631 -10.414 -15.144 1.00 0.28 N ATOM 1444 CA MET A 664 11.672 -10.013 -13.708 1.00 0.28 C ATOM 1445 C MET A 664 12.087 -11.202 -12.836 1.00 0.27 C ATOM 1446 O MET A 664 12.571 -12.203 -13.328 1.00 0.34 O ATOM 1447 CB MET A 664 10.241 -9.584 -13.385 1.00 0.31 C ATOM 1448 CG MET A 664 10.070 -8.093 -13.684 1.00 0.45 C ATOM 1449 SD MET A 664 8.407 -7.794 -14.336 1.00 0.63 S ATOM 1450 CE MET A 664 7.577 -7.569 -12.743 1.00 0.34 C ATOM 0 H MET A 664 10.967 -11.155 -15.368 1.00 0.28 H new ATOM 0 HA MET A 664 12.393 -9.218 -13.518 1.00 0.28 H new ATOM 0 HB2 MET A 664 9.534 -10.167 -13.976 1.00 0.31 H new ATOM 0 HB3 MET A 664 10.019 -9.782 -12.336 1.00 0.31 H new ATOM 0 HG2 MET A 664 10.227 -7.509 -12.777 1.00 0.45 H new ATOM 0 HG3 MET A 664 10.819 -7.768 -14.406 1.00 0.45 H new ATOM 0 HE1 MET A 664 6.736 -6.886 -12.864 1.00 0.34 H new ATOM 0 HE2 MET A 664 7.213 -8.531 -12.383 1.00 0.34 H new ATOM 0 HE3 MET A 664 8.281 -7.154 -12.021 1.00 0.34 H new ATOM 1460 N ILE A 665 11.905 -11.101 -11.544 1.00 0.29 N ATOM 1461 CA ILE A 665 12.290 -12.229 -10.643 1.00 0.29 C ATOM 1462 C ILE A 665 11.220 -12.440 -9.565 1.00 0.25 C ATOM 1463 O ILE A 665 10.091 -12.011 -9.706 1.00 0.27 O ATOM 1464 CB ILE A 665 13.621 -11.802 -10.014 1.00 0.33 C ATOM 1465 CG1 ILE A 665 13.431 -10.496 -9.232 1.00 0.31 C ATOM 1466 CG2 ILE A 665 14.660 -11.589 -11.116 1.00 0.41 C ATOM 1467 CD1 ILE A 665 14.082 -10.624 -7.853 1.00 0.50 C ATOM 0 H ILE A 665 11.507 -10.288 -11.075 1.00 0.29 H new ATOM 0 HA ILE A 665 12.382 -13.173 -11.181 1.00 0.29 H new ATOM 0 HB ILE A 665 13.964 -12.582 -9.334 1.00 0.33 H new ATOM 0 HG12 ILE A 665 13.875 -9.665 -9.779 1.00 0.31 H new ATOM 0 HG13 ILE A 665 12.369 -10.276 -9.125 1.00 0.31 H new ATOM 0 HG21 ILE A 665 15.607 -11.285 -10.670 1.00 0.41 H new ATOM 0 HG22 ILE A 665 14.801 -12.518 -11.668 1.00 0.41 H new ATOM 0 HG23 ILE A 665 14.314 -10.811 -11.797 1.00 0.41 H new ATOM 0 HD11 ILE A 665 13.946 -9.695 -7.299 1.00 0.50 H new ATOM 0 HD12 ILE A 665 13.617 -11.444 -7.306 1.00 0.50 H new ATOM 0 HD13 ILE A 665 15.147 -10.824 -7.971 1.00 0.50 H new ATOM 1479 N GLN A 666 11.568 -13.102 -8.493 1.00 0.25 N ATOM 1480 CA GLN A 666 10.574 -13.351 -7.404 1.00 0.26 C ATOM 1481 C GLN A 666 10.453 -12.125 -6.496 1.00 0.28 C ATOM 1482 O GLN A 666 11.160 -11.994 -5.516 1.00 0.50 O ATOM 1483 CB GLN A 666 11.138 -14.540 -6.624 1.00 0.29 C ATOM 1484 CG GLN A 666 10.134 -14.971 -5.553 1.00 0.34 C ATOM 1485 CD GLN A 666 10.732 -16.108 -4.722 1.00 0.34 C ATOM 1486 OE1 GLN A 666 10.220 -17.304 -4.811 1.00 0.75 O flip ATOM 1487 NE2 GLN A 666 11.676 -15.904 -3.983 1.00 0.64 N flip ATOM 0 H GLN A 666 12.499 -13.482 -8.323 1.00 0.25 H new ATOM 0 HA GLN A 666 9.577 -13.550 -7.796 1.00 0.26 H new ATOM 0 HB2 GLN A 666 11.341 -15.369 -7.301 1.00 0.29 H new ATOM 0 HB3 GLN A 666 12.086 -14.267 -6.160 1.00 0.29 H new ATOM 0 HG2 GLN A 666 9.887 -14.127 -4.909 1.00 0.34 H new ATOM 0 HG3 GLN A 666 9.205 -15.297 -6.020 1.00 0.34 H new ATOM 0 HE21 GLN A 666 12.076 -14.968 -3.913 1.00 0.64 H new ATOM 0 HE22 GLN A 666 12.067 -16.668 -3.433 1.00 0.64 H new ATOM 1496 N GLY A 667 9.554 -11.229 -6.810 1.00 0.26 N ATOM 1497 CA GLY A 667 9.379 -10.017 -5.961 1.00 0.26 C ATOM 1498 C GLY A 667 9.873 -8.778 -6.709 1.00 0.24 C ATOM 1499 O GLY A 667 10.644 -7.998 -6.185 1.00 0.28 O ATOM 0 H GLY A 667 8.934 -11.286 -7.618 1.00 0.26 H new ATOM 0 HA2 GLY A 667 8.328 -9.897 -5.696 1.00 0.26 H new ATOM 0 HA3 GLY A 667 9.931 -10.133 -5.029 1.00 0.26 H new ATOM 1503 N THR A 668 9.435 -8.581 -7.926 1.00 0.21 N ATOM 1504 CA THR A 668 9.889 -7.378 -8.688 1.00 0.21 C ATOM 1505 C THR A 668 8.696 -6.481 -9.014 1.00 0.20 C ATOM 1506 O THR A 668 7.592 -6.950 -9.194 1.00 0.19 O ATOM 1507 CB THR A 668 10.521 -7.919 -9.975 1.00 0.22 C ATOM 1508 OG1 THR A 668 10.057 -9.239 -10.217 1.00 0.27 O ATOM 1509 CG2 THR A 668 12.043 -7.927 -9.831 1.00 0.30 C ATOM 0 H THR A 668 8.788 -9.195 -8.422 1.00 0.21 H new ATOM 0 HA THR A 668 10.596 -6.777 -8.116 1.00 0.21 H new ATOM 0 HB THR A 668 10.240 -7.281 -10.813 1.00 0.22 H new ATOM 0 HG1 THR A 668 10.485 -9.857 -9.588 1.00 0.27 H new ATOM 0 HG21 THR A 668 12.493 -8.312 -10.746 1.00 0.30 H new ATOM 0 HG22 THR A 668 12.397 -6.912 -9.652 1.00 0.30 H new ATOM 0 HG23 THR A 668 12.326 -8.563 -8.992 1.00 0.30 H new ATOM 1517 N LYS A 669 8.917 -5.198 -9.099 1.00 0.21 N ATOM 1518 CA LYS A 669 7.807 -4.256 -9.422 1.00 0.21 C ATOM 1519 C LYS A 669 8.001 -3.728 -10.840 1.00 0.21 C ATOM 1520 O LYS A 669 9.111 -3.480 -11.269 1.00 0.24 O ATOM 1521 CB LYS A 669 7.939 -3.126 -8.398 1.00 0.23 C ATOM 1522 CG LYS A 669 6.856 -2.074 -8.647 1.00 0.28 C ATOM 1523 CD LYS A 669 6.887 -1.030 -7.527 1.00 0.67 C ATOM 1524 CE LYS A 669 6.817 0.375 -8.131 1.00 0.38 C ATOM 1525 NZ LYS A 669 7.722 1.202 -7.286 1.00 0.66 N ATOM 0 H LYS A 669 9.826 -4.758 -8.957 1.00 0.21 H new ATOM 0 HA LYS A 669 6.822 -4.721 -9.377 1.00 0.21 H new ATOM 0 HB2 LYS A 669 7.846 -3.525 -7.388 1.00 0.23 H new ATOM 0 HB3 LYS A 669 8.926 -2.670 -8.471 1.00 0.23 H new ATOM 0 HG2 LYS A 669 7.017 -1.592 -9.611 1.00 0.28 H new ATOM 0 HG3 LYS A 669 5.876 -2.549 -8.688 1.00 0.28 H new ATOM 0 HD2 LYS A 669 6.049 -1.186 -6.847 1.00 0.67 H new ATOM 0 HD3 LYS A 669 7.799 -1.139 -6.940 1.00 0.67 H new ATOM 0 HE2 LYS A 669 7.140 0.374 -9.172 1.00 0.38 H new ATOM 0 HE3 LYS A 669 5.798 0.762 -8.114 1.00 0.38 H new ATOM 0 HZ1 LYS A 669 7.727 2.181 -7.638 1.00 0.66 H new ATOM 0 HZ2 LYS A 669 7.386 1.190 -6.302 1.00 0.66 H new ATOM 0 HZ3 LYS A 669 8.686 0.814 -7.327 1.00 0.66 H new ATOM 1539 N PHE A 670 6.940 -3.577 -11.585 1.00 0.20 N ATOM 1540 CA PHE A 670 7.094 -3.093 -12.984 1.00 0.21 C ATOM 1541 C PHE A 670 5.937 -2.175 -13.396 1.00 0.23 C ATOM 1542 O PHE A 670 4.809 -2.351 -12.981 1.00 0.25 O ATOM 1543 CB PHE A 670 7.102 -4.367 -13.824 1.00 0.21 C ATOM 1544 CG PHE A 670 7.785 -4.078 -15.128 1.00 0.21 C ATOM 1545 CD1 PHE A 670 9.167 -4.232 -15.234 1.00 0.86 C ATOM 1546 CD2 PHE A 670 7.038 -3.633 -16.218 1.00 0.99 C ATOM 1547 CE1 PHE A 670 9.810 -3.935 -16.440 1.00 0.85 C ATOM 1548 CE2 PHE A 670 7.676 -3.342 -17.426 1.00 1.03 C ATOM 1549 CZ PHE A 670 9.065 -3.490 -17.536 1.00 0.33 C ATOM 0 H PHE A 670 5.983 -3.766 -11.288 1.00 0.20 H new ATOM 0 HA PHE A 670 7.998 -2.498 -13.112 1.00 0.21 H new ATOM 0 HB2 PHE A 670 7.621 -5.166 -13.294 1.00 0.21 H new ATOM 0 HB3 PHE A 670 6.083 -4.711 -13.999 1.00 0.21 H new ATOM 0 HD1 PHE A 670 9.739 -4.580 -14.387 1.00 0.86 H new ATOM 0 HD2 PHE A 670 5.968 -3.514 -16.128 1.00 0.99 H new ATOM 0 HE1 PHE A 670 10.881 -4.049 -16.524 1.00 0.85 H new ATOM 0 HE2 PHE A 670 7.099 -3.003 -18.274 1.00 1.03 H new ATOM 0 HZ PHE A 670 9.560 -3.260 -18.468 1.00 0.33 H new ATOM 1559 N LEU A 671 6.221 -1.197 -14.220 1.00 0.25 N ATOM 1560 CA LEU A 671 5.157 -0.253 -14.680 1.00 0.29 C ATOM 1561 C LEU A 671 4.228 -0.936 -15.679 1.00 0.26 C ATOM 1562 O LEU A 671 4.640 -1.788 -16.443 1.00 0.30 O ATOM 1563 CB LEU A 671 5.889 0.902 -15.358 1.00 0.35 C ATOM 1564 CG LEU A 671 5.459 2.220 -14.712 1.00 0.52 C ATOM 1565 CD1 LEU A 671 6.500 3.292 -15.001 1.00 1.12 C ATOM 1566 CD2 LEU A 671 4.117 2.662 -15.286 1.00 1.31 C ATOM 0 H LEU A 671 7.151 -1.011 -14.596 1.00 0.25 H new ATOM 0 HA LEU A 671 4.543 0.087 -13.846 1.00 0.29 H new ATOM 0 HB2 LEU A 671 6.967 0.771 -15.262 1.00 0.35 H new ATOM 0 HB3 LEU A 671 5.663 0.915 -16.424 1.00 0.35 H new ATOM 0 HG LEU A 671 5.366 2.076 -13.636 1.00 0.52 H new ATOM 0 HD11 LEU A 671 6.193 4.231 -14.540 1.00 1.12 H new ATOM 0 HD12 LEU A 671 7.462 2.985 -14.592 1.00 1.12 H new ATOM 0 HD13 LEU A 671 6.591 3.429 -16.078 1.00 1.12 H new ATOM 0 HD21 LEU A 671 3.815 3.601 -14.823 1.00 1.31 H new ATOM 0 HD22 LEU A 671 4.210 2.802 -16.363 1.00 1.31 H new ATOM 0 HD23 LEU A 671 3.365 1.899 -15.083 1.00 1.31 H new ATOM 1578 N LEU A 672 2.979 -0.569 -15.680 1.00 0.25 N ATOM 1579 CA LEU A 672 2.024 -1.203 -16.634 1.00 0.27 C ATOM 1580 C LEU A 672 1.423 -0.167 -17.592 1.00 0.30 C ATOM 1581 O LEU A 672 0.660 0.694 -17.200 1.00 0.46 O ATOM 1582 CB LEU A 672 0.934 -1.820 -15.759 1.00 0.30 C ATOM 1583 CG LEU A 672 1.332 -3.248 -15.377 1.00 0.31 C ATOM 1584 CD1 LEU A 672 0.263 -3.845 -14.468 1.00 0.75 C ATOM 1585 CD2 LEU A 672 1.454 -4.108 -16.637 1.00 0.85 C ATOM 0 H LEU A 672 2.577 0.139 -15.065 1.00 0.25 H new ATOM 0 HA LEU A 672 2.519 -1.945 -17.260 1.00 0.27 H new ATOM 0 HB2 LEU A 672 0.790 -1.219 -14.861 1.00 0.30 H new ATOM 0 HB3 LEU A 672 -0.016 -1.827 -16.294 1.00 0.30 H new ATOM 0 HG LEU A 672 2.290 -3.226 -14.858 1.00 0.31 H new ATOM 0 HD11 LEU A 672 0.544 -4.862 -14.195 1.00 0.75 H new ATOM 0 HD12 LEU A 672 0.172 -3.239 -13.567 1.00 0.75 H new ATOM 0 HD13 LEU A 672 -0.693 -3.861 -14.992 1.00 0.75 H new ATOM 0 HD21 LEU A 672 1.737 -5.123 -16.359 1.00 0.85 H new ATOM 0 HD22 LEU A 672 0.497 -4.128 -17.158 1.00 0.85 H new ATOM 0 HD23 LEU A 672 2.215 -3.686 -17.293 1.00 0.85 H new ATOM 1597 N GLN A 673 1.755 -0.267 -18.851 1.00 0.24 N ATOM 1598 CA GLN A 673 1.206 0.680 -19.867 1.00 0.26 C ATOM 1599 C GLN A 673 -0.096 0.103 -20.437 1.00 0.27 C ATOM 1600 O GLN A 673 -0.546 -0.948 -20.024 1.00 0.49 O ATOM 1601 CB GLN A 673 2.281 0.746 -20.955 1.00 0.31 C ATOM 1602 CG GLN A 673 3.601 1.220 -20.340 1.00 0.39 C ATOM 1603 CD GLN A 673 4.635 1.436 -21.448 1.00 0.76 C ATOM 1604 OE1 GLN A 673 4.369 1.179 -22.606 1.00 1.16 O ATOM 1605 NE2 GLN A 673 5.813 1.902 -21.138 1.00 0.91 N ATOM 0 H GLN A 673 2.390 -0.972 -19.224 1.00 0.24 H new ATOM 0 HA GLN A 673 0.981 1.665 -19.458 1.00 0.26 H new ATOM 0 HB2 GLN A 673 2.412 -0.235 -21.412 1.00 0.31 H new ATOM 0 HB3 GLN A 673 1.971 1.428 -21.747 1.00 0.31 H new ATOM 0 HG2 GLN A 673 3.445 2.147 -19.789 1.00 0.39 H new ATOM 0 HG3 GLN A 673 3.967 0.482 -19.626 1.00 0.39 H new ATOM 0 HE21 GLN A 673 6.037 2.118 -20.166 1.00 0.91 H new ATOM 0 HE22 GLN A 673 6.511 2.051 -21.867 1.00 0.91 H new ATOM 1614 N ASP A 674 -0.699 0.770 -21.382 1.00 0.30 N ATOM 1615 CA ASP A 674 -1.966 0.246 -21.976 1.00 0.28 C ATOM 1616 C ASP A 674 -1.649 -0.902 -22.936 1.00 0.26 C ATOM 1617 O ASP A 674 -0.647 -0.886 -23.624 1.00 0.35 O ATOM 1618 CB ASP A 674 -2.579 1.440 -22.717 1.00 0.32 C ATOM 1619 CG ASP A 674 -1.687 1.836 -23.897 1.00 0.43 C ATOM 1620 OD1 ASP A 674 -0.494 1.982 -23.689 1.00 1.16 O ATOM 1621 OD2 ASP A 674 -2.213 1.985 -24.987 1.00 1.21 O ATOM 0 H ASP A 674 -0.371 1.655 -21.770 1.00 0.30 H new ATOM 0 HA ASP A 674 -2.653 -0.151 -21.228 1.00 0.28 H new ATOM 0 HB2 ASP A 674 -3.577 1.184 -23.074 1.00 0.32 H new ATOM 0 HB3 ASP A 674 -2.691 2.283 -22.036 1.00 0.32 H new ATOM 1626 N GLY A 675 -2.481 -1.908 -22.971 1.00 0.22 N ATOM 1627 CA GLY A 675 -2.205 -3.063 -23.870 1.00 0.25 C ATOM 1628 C GLY A 675 -0.979 -3.791 -23.330 1.00 0.24 C ATOM 1629 O GLY A 675 -0.053 -4.107 -24.052 1.00 0.30 O ATOM 0 H GLY A 675 -3.335 -1.979 -22.419 1.00 0.22 H new ATOM 0 HA2 GLY A 675 -3.063 -3.734 -23.904 1.00 0.25 H new ATOM 0 HA3 GLY A 675 -2.027 -2.720 -24.889 1.00 0.25 H new ATOM 1633 N ASP A 676 -0.967 -4.040 -22.050 1.00 0.21 N ATOM 1634 CA ASP A 676 0.187 -4.726 -21.420 1.00 0.22 C ATOM 1635 C ASP A 676 -0.125 -6.201 -21.199 1.00 0.21 C ATOM 1636 O ASP A 676 -0.646 -6.595 -20.174 1.00 0.24 O ATOM 1637 CB ASP A 676 0.388 -4.013 -20.081 1.00 0.26 C ATOM 1638 CG ASP A 676 1.656 -3.159 -20.141 1.00 0.50 C ATOM 1639 OD1 ASP A 676 1.941 -2.630 -21.203 1.00 1.33 O ATOM 1640 OD2 ASP A 676 2.319 -3.049 -19.124 1.00 1.03 O ATOM 0 H ASP A 676 -1.720 -3.792 -21.408 1.00 0.21 H new ATOM 0 HA ASP A 676 1.080 -4.685 -22.044 1.00 0.22 H new ATOM 0 HB2 ASP A 676 -0.475 -3.386 -19.858 1.00 0.26 H new ATOM 0 HB3 ASP A 676 0.467 -4.744 -19.276 1.00 0.26 H new ATOM 1645 N GLU A 677 0.217 -7.016 -22.148 1.00 0.21 N ATOM 1646 CA GLU A 677 -0.025 -8.480 -21.998 1.00 0.23 C ATOM 1647 C GLU A 677 1.243 -9.105 -21.418 1.00 0.24 C ATOM 1648 O GLU A 677 2.267 -9.189 -22.067 1.00 0.25 O ATOM 1649 CB GLU A 677 -0.315 -9.010 -23.406 1.00 0.28 C ATOM 1650 CG GLU A 677 -1.480 -10.002 -23.346 1.00 0.42 C ATOM 1651 CD GLU A 677 -1.385 -10.972 -24.525 1.00 1.04 C ATOM 1652 OE1 GLU A 677 -0.311 -11.512 -24.738 1.00 1.79 O ATOM 1653 OE2 GLU A 677 -2.387 -11.159 -25.195 1.00 1.71 O ATOM 0 H GLU A 677 0.655 -6.736 -23.026 1.00 0.21 H new ATOM 0 HA GLU A 677 -0.857 -8.715 -21.335 1.00 0.23 H new ATOM 0 HB2 GLU A 677 -0.560 -8.184 -24.074 1.00 0.28 H new ATOM 0 HB3 GLU A 677 0.571 -9.497 -23.813 1.00 0.28 H new ATOM 0 HG2 GLU A 677 -1.455 -10.552 -22.406 1.00 0.42 H new ATOM 0 HG3 GLU A 677 -2.429 -9.467 -23.377 1.00 0.42 H new ATOM 1660 N ILE A 678 1.187 -9.489 -20.170 1.00 0.25 N ATOM 1661 CA ILE A 678 2.394 -10.048 -19.494 1.00 0.26 C ATOM 1662 C ILE A 678 2.229 -11.538 -19.184 1.00 0.23 C ATOM 1663 O ILE A 678 1.193 -11.979 -18.725 1.00 0.20 O ATOM 1664 CB ILE A 678 2.524 -9.225 -18.192 1.00 0.29 C ATOM 1665 CG1 ILE A 678 1.689 -9.863 -17.069 1.00 0.94 C ATOM 1666 CG2 ILE A 678 2.023 -7.795 -18.431 1.00 0.93 C ATOM 1667 CD1 ILE A 678 1.822 -9.032 -15.790 1.00 0.99 C ATOM 0 H ILE A 678 0.352 -9.439 -19.587 1.00 0.25 H new ATOM 0 HA ILE A 678 3.281 -9.977 -20.124 1.00 0.26 H new ATOM 0 HB ILE A 678 3.573 -9.208 -17.897 1.00 0.29 H new ATOM 0 HG12 ILE A 678 0.643 -9.921 -17.369 1.00 0.94 H new ATOM 0 HG13 ILE A 678 2.026 -10.884 -16.887 1.00 0.94 H new ATOM 0 HG21 ILE A 678 2.116 -7.218 -17.511 1.00 0.93 H new ATOM 0 HG22 ILE A 678 2.619 -7.327 -19.215 1.00 0.93 H new ATOM 0 HG23 ILE A 678 0.977 -7.822 -18.738 1.00 0.93 H new ATOM 0 HD11 ILE A 678 1.229 -9.487 -14.997 1.00 0.99 H new ATOM 0 HD12 ILE A 678 2.868 -8.997 -15.486 1.00 0.99 H new ATOM 0 HD13 ILE A 678 1.464 -8.019 -15.975 1.00 0.99 H new ATOM 1679 N LYS A 679 3.258 -12.309 -19.410 1.00 0.26 N ATOM 1680 CA LYS A 679 3.185 -13.764 -19.106 1.00 0.25 C ATOM 1681 C LYS A 679 3.850 -14.035 -17.754 1.00 0.22 C ATOM 1682 O LYS A 679 5.050 -13.908 -17.606 1.00 0.26 O ATOM 1683 CB LYS A 679 3.959 -14.447 -20.236 1.00 0.29 C ATOM 1684 CG LYS A 679 3.262 -14.177 -21.571 1.00 0.86 C ATOM 1685 CD LYS A 679 4.310 -14.054 -22.679 1.00 1.10 C ATOM 1686 CE LYS A 679 3.716 -14.548 -24.000 1.00 1.63 C ATOM 1687 NZ LYS A 679 4.484 -13.832 -25.057 1.00 2.44 N ATOM 0 H LYS A 679 4.148 -11.991 -19.793 1.00 0.26 H new ATOM 0 HA LYS A 679 2.161 -14.131 -19.044 1.00 0.25 H new ATOM 0 HB2 LYS A 679 4.983 -14.074 -20.267 1.00 0.29 H new ATOM 0 HB3 LYS A 679 4.016 -15.520 -20.054 1.00 0.29 H new ATOM 0 HG2 LYS A 679 2.568 -14.985 -21.801 1.00 0.86 H new ATOM 0 HG3 LYS A 679 2.675 -13.261 -21.508 1.00 0.86 H new ATOM 0 HD2 LYS A 679 4.631 -13.017 -22.777 1.00 1.10 H new ATOM 0 HD3 LYS A 679 5.194 -14.638 -22.424 1.00 1.10 H new ATOM 0 HE2 LYS A 679 3.819 -15.628 -24.100 1.00 1.63 H new ATOM 0 HE3 LYS A 679 2.652 -14.322 -24.064 1.00 1.63 H new ATOM 0 HZ1 LYS A 679 4.135 -14.118 -25.994 1.00 2.44 H new ATOM 0 HZ2 LYS A 679 4.361 -12.806 -24.940 1.00 2.44 H new ATOM 0 HZ3 LYS A 679 5.493 -14.072 -24.976 1.00 2.44 H new ATOM 1701 N ILE A 680 3.079 -14.395 -16.763 1.00 0.18 N ATOM 1702 CA ILE A 680 3.668 -14.663 -15.419 1.00 0.17 C ATOM 1703 C ILE A 680 4.388 -16.014 -15.413 1.00 0.17 C ATOM 1704 O ILE A 680 5.277 -16.248 -14.617 1.00 0.23 O ATOM 1705 CB ILE A 680 2.480 -14.682 -14.454 1.00 0.16 C ATOM 1706 CG1 ILE A 680 1.756 -13.332 -14.502 1.00 0.18 C ATOM 1707 CG2 ILE A 680 2.983 -14.935 -13.031 1.00 0.17 C ATOM 1708 CD1 ILE A 680 0.520 -13.373 -13.596 1.00 0.19 C ATOM 0 H ILE A 680 2.068 -14.515 -16.826 1.00 0.18 H new ATOM 0 HA ILE A 680 4.405 -13.911 -15.139 1.00 0.17 H new ATOM 0 HB ILE A 680 1.791 -15.475 -14.746 1.00 0.16 H new ATOM 0 HG12 ILE A 680 2.428 -12.537 -14.180 1.00 0.18 H new ATOM 0 HG13 ILE A 680 1.460 -13.104 -15.526 1.00 0.18 H new ATOM 0 HG21 ILE A 680 2.137 -14.949 -12.343 1.00 0.17 H new ATOM 0 HG22 ILE A 680 3.498 -15.895 -12.992 1.00 0.17 H new ATOM 0 HG23 ILE A 680 3.673 -14.142 -12.742 1.00 0.17 H new ATOM 0 HD11 ILE A 680 0.009 -12.411 -13.634 1.00 0.19 H new ATOM 0 HD12 ILE A 680 -0.156 -14.157 -13.938 1.00 0.19 H new ATOM 0 HD13 ILE A 680 0.827 -13.581 -12.571 1.00 0.19 H new ATOM 1720 N ILE A 681 4.013 -16.907 -16.291 1.00 0.24 N ATOM 1721 CA ILE A 681 4.680 -18.241 -16.328 1.00 0.26 C ATOM 1722 C ILE A 681 4.825 -18.725 -17.773 1.00 0.30 C ATOM 1723 O ILE A 681 3.914 -18.617 -18.570 1.00 0.39 O ATOM 1724 CB ILE A 681 3.758 -19.169 -15.535 1.00 0.33 C ATOM 1725 CG1 ILE A 681 3.630 -18.634 -14.099 1.00 1.04 C ATOM 1726 CG2 ILE A 681 4.350 -20.582 -15.525 1.00 1.05 C ATOM 1727 CD1 ILE A 681 3.228 -19.758 -13.138 1.00 1.34 C ATOM 0 H ILE A 681 3.276 -16.770 -16.982 1.00 0.24 H new ATOM 0 HA ILE A 681 5.685 -18.211 -15.906 1.00 0.26 H new ATOM 0 HB ILE A 681 2.770 -19.204 -15.995 1.00 0.33 H new ATOM 0 HG12 ILE A 681 4.578 -18.199 -13.782 1.00 1.04 H new ATOM 0 HG13 ILE A 681 2.887 -17.838 -14.067 1.00 1.04 H new ATOM 0 HG21 ILE A 681 3.696 -21.247 -14.961 1.00 1.05 H new ATOM 0 HG22 ILE A 681 4.441 -20.946 -16.549 1.00 1.05 H new ATOM 0 HG23 ILE A 681 5.335 -20.561 -15.059 1.00 1.05 H new ATOM 0 HD11 ILE A 681 3.143 -19.359 -12.127 1.00 1.34 H new ATOM 0 HD12 ILE A 681 2.269 -20.174 -13.446 1.00 1.34 H new ATOM 0 HD13 ILE A 681 3.986 -20.541 -13.156 1.00 1.34 H new ATOM 1739 N TRP A 682 5.969 -19.254 -18.114 1.00 0.30 N ATOM 1740 CA TRP A 682 6.187 -19.745 -19.505 1.00 0.38 C ATOM 1741 C TRP A 682 6.922 -21.091 -19.480 1.00 0.37 C ATOM 1742 O TRP A 682 8.094 -21.161 -19.165 1.00 0.38 O ATOM 1743 CB TRP A 682 7.051 -18.664 -20.164 1.00 0.45 C ATOM 1744 CG TRP A 682 7.387 -19.046 -21.575 1.00 0.51 C ATOM 1745 CD1 TRP A 682 6.812 -20.050 -22.280 1.00 0.53 C ATOM 1746 CD2 TRP A 682 8.368 -18.436 -22.462 1.00 0.66 C ATOM 1747 NE1 TRP A 682 7.383 -20.095 -23.540 1.00 0.64 N ATOM 1748 CE2 TRP A 682 8.345 -19.119 -23.701 1.00 0.74 C ATOM 1749 CE3 TRP A 682 9.267 -17.366 -22.311 1.00 0.78 C ATOM 1750 CZ2 TRP A 682 9.187 -18.753 -24.752 1.00 0.94 C ATOM 1751 CZ3 TRP A 682 10.115 -16.994 -23.367 1.00 0.99 C ATOM 1752 CH2 TRP A 682 10.075 -17.686 -24.585 1.00 1.07 C ATOM 0 H TRP A 682 6.765 -19.368 -17.486 1.00 0.30 H new ATOM 0 HA TRP A 682 5.254 -19.908 -20.045 1.00 0.38 H new ATOM 0 HB2 TRP A 682 6.521 -17.712 -20.156 1.00 0.45 H new ATOM 0 HB3 TRP A 682 7.968 -18.524 -19.591 1.00 0.45 H new ATOM 0 HD1 TRP A 682 6.035 -20.707 -21.918 1.00 0.53 H new ATOM 0 HE1 TRP A 682 7.124 -20.768 -24.262 1.00 0.64 H new ATOM 0 HE3 TRP A 682 9.306 -16.826 -21.376 1.00 0.78 H new ATOM 0 HZ2 TRP A 682 9.153 -19.290 -25.688 1.00 0.94 H new ATOM 0 HZ3 TRP A 682 10.802 -16.170 -23.240 1.00 0.99 H new ATOM 0 HH2 TRP A 682 10.729 -17.395 -25.394 1.00 1.07 H new ATOM 1763 N ASP A 683 6.243 -22.159 -19.811 1.00 0.41 N ATOM 1764 CA ASP A 683 6.906 -23.497 -19.806 1.00 0.43 C ATOM 1765 C ASP A 683 6.826 -24.133 -21.198 1.00 0.49 C ATOM 1766 O ASP A 683 5.756 -24.389 -21.714 1.00 0.56 O ATOM 1767 CB ASP A 683 6.117 -24.324 -18.790 1.00 0.47 C ATOM 1768 CG ASP A 683 6.846 -24.314 -17.445 1.00 0.75 C ATOM 1769 OD1 ASP A 683 7.414 -23.288 -17.109 1.00 1.43 O ATOM 1770 OD2 ASP A 683 6.823 -25.333 -16.774 1.00 1.41 O ATOM 0 H ASP A 683 5.260 -22.162 -20.084 1.00 0.41 H new ATOM 0 HA ASP A 683 7.963 -23.435 -19.548 1.00 0.43 H new ATOM 0 HB2 ASP A 683 5.113 -23.915 -18.674 1.00 0.47 H new ATOM 0 HB3 ASP A 683 6.005 -25.348 -19.147 1.00 0.47 H new ATOM 1775 N LYS A 684 7.953 -24.385 -21.807 1.00 0.53 N ATOM 1776 CA LYS A 684 7.953 -25.002 -23.168 1.00 0.62 C ATOM 1777 C LYS A 684 7.396 -26.429 -23.121 1.00 0.65 C ATOM 1778 O LYS A 684 6.583 -26.814 -23.940 1.00 0.73 O ATOM 1779 CB LYS A 684 9.412 -25.011 -23.606 1.00 0.68 C ATOM 1780 CG LYS A 684 9.576 -24.165 -24.872 1.00 0.80 C ATOM 1781 CD LYS A 684 11.017 -24.271 -25.374 1.00 1.36 C ATOM 1782 CE LYS A 684 11.434 -22.944 -26.012 1.00 1.62 C ATOM 1783 NZ LYS A 684 12.680 -23.255 -26.766 1.00 2.21 N ATOM 0 H LYS A 684 8.877 -24.190 -21.421 1.00 0.53 H new ATOM 0 HA LYS A 684 7.322 -24.446 -23.862 1.00 0.62 H new ATOM 0 HB2 LYS A 684 10.043 -24.617 -22.809 1.00 0.68 H new ATOM 0 HB3 LYS A 684 9.739 -26.034 -23.795 1.00 0.68 H new ATOM 0 HG2 LYS A 684 8.885 -24.507 -25.643 1.00 0.80 H new ATOM 0 HG3 LYS A 684 9.329 -23.125 -24.661 1.00 0.80 H new ATOM 0 HD2 LYS A 684 11.684 -24.515 -24.547 1.00 1.36 H new ATOM 0 HD3 LYS A 684 11.102 -25.079 -26.101 1.00 1.36 H new ATOM 0 HE2 LYS A 684 10.657 -22.563 -26.674 1.00 1.62 H new ATOM 0 HE3 LYS A 684 11.611 -22.180 -25.255 1.00 1.62 H new ATOM 0 HZ1 LYS A 684 13.028 -22.393 -27.232 1.00 2.21 H new ATOM 0 HZ2 LYS A 684 13.404 -23.610 -26.109 1.00 2.21 H new ATOM 0 HZ3 LYS A 684 12.479 -23.980 -27.484 1.00 2.21 H new ATOM 1797 N ASN A 685 7.837 -27.221 -22.179 1.00 0.65 N ATOM 1798 CA ASN A 685 7.343 -28.628 -22.091 1.00 0.73 C ATOM 1799 C ASN A 685 5.975 -28.679 -21.404 1.00 0.55 C ATOM 1800 O ASN A 685 5.083 -29.384 -21.835 1.00 0.64 O ATOM 1801 CB ASN A 685 8.390 -29.362 -21.252 1.00 0.99 C ATOM 1802 CG ASN A 685 8.579 -30.780 -21.796 1.00 1.46 C ATOM 1803 OD1 ASN A 685 7.731 -31.630 -21.612 1.00 2.05 O ATOM 1804 ND2 ASN A 685 9.662 -31.071 -22.462 1.00 2.05 N ATOM 0 H ASN A 685 8.517 -26.955 -21.467 1.00 0.65 H new ATOM 0 HA ASN A 685 7.215 -29.078 -23.076 1.00 0.73 H new ATOM 0 HB2 ASN A 685 9.336 -28.822 -21.279 1.00 0.99 H new ATOM 0 HB3 ASN A 685 8.074 -29.400 -20.209 1.00 0.99 H new ATOM 0 HD21 ASN A 685 9.797 -32.013 -22.829 1.00 2.05 H new ATOM 0 HD22 ASN A 685 10.373 -30.357 -22.616 1.00 2.05 H new ATOM 1811 N ASN A 686 5.804 -27.944 -20.339 1.00 0.60 N ATOM 1812 CA ASN A 686 4.493 -27.956 -19.625 1.00 0.83 C ATOM 1813 C ASN A 686 3.488 -27.041 -20.334 1.00 0.70 C ATOM 1814 O ASN A 686 2.302 -27.090 -20.071 1.00 0.91 O ATOM 1815 CB ASN A 686 4.802 -27.430 -18.222 1.00 1.19 C ATOM 1816 CG ASN A 686 4.080 -28.291 -17.183 1.00 1.72 C ATOM 1817 OD1 ASN A 686 2.866 -28.301 -17.122 1.00 2.08 O ATOM 1818 ND2 ASN A 686 4.780 -29.019 -16.356 1.00 2.41 N ATOM 0 H ASN A 686 6.514 -27.336 -19.932 1.00 0.60 H new ATOM 0 HA ASN A 686 4.048 -28.951 -19.600 1.00 0.83 H new ATOM 0 HB2 ASN A 686 5.877 -27.451 -18.043 1.00 1.19 H new ATOM 0 HB3 ASN A 686 4.484 -26.391 -18.133 1.00 1.19 H new ATOM 0 HD21 ASN A 686 4.308 -29.596 -15.659 1.00 2.41 H new ATOM 0 HD22 ASN A 686 5.799 -29.011 -16.406 1.00 2.41 H new ATOM 1825 N LYS A 687 3.951 -26.204 -21.229 1.00 0.54 N ATOM 1826 CA LYS A 687 3.024 -25.281 -21.953 1.00 0.60 C ATOM 1827 C LYS A 687 2.247 -24.411 -20.960 1.00 0.72 C ATOM 1828 O LYS A 687 1.229 -23.836 -21.293 1.00 1.50 O ATOM 1829 CB LYS A 687 2.071 -26.192 -22.732 1.00 0.83 C ATOM 1830 CG LYS A 687 1.824 -25.602 -24.123 1.00 1.16 C ATOM 1831 CD LYS A 687 1.315 -26.698 -25.062 1.00 1.69 C ATOM 1832 CE LYS A 687 1.841 -26.445 -26.477 1.00 2.10 C ATOM 1833 NZ LYS A 687 0.673 -26.686 -27.370 1.00 2.66 N ATOM 0 H LYS A 687 4.934 -26.120 -21.490 1.00 0.54 H new ATOM 0 HA LYS A 687 3.562 -24.600 -22.612 1.00 0.60 H new ATOM 0 HB2 LYS A 687 2.497 -27.192 -22.820 1.00 0.83 H new ATOM 0 HB3 LYS A 687 1.128 -26.293 -22.195 1.00 0.83 H new ATOM 0 HG2 LYS A 687 1.095 -24.794 -24.062 1.00 1.16 H new ATOM 0 HG3 LYS A 687 2.745 -25.172 -24.515 1.00 1.16 H new ATOM 0 HD2 LYS A 687 1.645 -27.675 -24.710 1.00 1.69 H new ATOM 0 HD3 LYS A 687 0.225 -26.711 -25.065 1.00 1.69 H new ATOM 0 HE2 LYS A 687 2.216 -25.427 -26.583 1.00 2.10 H new ATOM 0 HE3 LYS A 687 2.667 -27.115 -26.717 1.00 2.10 H new ATOM 0 HZ1 LYS A 687 0.955 -26.532 -28.359 1.00 2.66 H new ATOM 0 HZ2 LYS A 687 0.342 -27.665 -27.252 1.00 2.66 H new ATOM 0 HZ3 LYS A 687 -0.095 -26.029 -27.123 1.00 2.66 H new ATOM 1847 N PHE A 688 2.726 -24.294 -19.749 1.00 0.53 N ATOM 1848 CA PHE A 688 2.019 -23.446 -18.747 1.00 0.52 C ATOM 1849 C PHE A 688 2.267 -21.974 -19.076 1.00 0.37 C ATOM 1850 O PHE A 688 3.088 -21.318 -18.465 1.00 0.48 O ATOM 1851 CB PHE A 688 2.640 -23.815 -17.395 1.00 0.75 C ATOM 1852 CG PHE A 688 1.578 -24.393 -16.488 1.00 0.56 C ATOM 1853 CD1 PHE A 688 0.764 -25.440 -16.937 1.00 0.97 C ATOM 1854 CD2 PHE A 688 1.408 -23.881 -15.196 1.00 0.90 C ATOM 1855 CE1 PHE A 688 -0.217 -25.974 -16.095 1.00 1.31 C ATOM 1856 CE2 PHE A 688 0.426 -24.415 -14.353 1.00 1.02 C ATOM 1857 CZ PHE A 688 -0.387 -25.462 -14.803 1.00 1.14 C ATOM 0 H PHE A 688 3.575 -24.749 -19.412 1.00 0.53 H new ATOM 0 HA PHE A 688 0.941 -23.605 -18.742 1.00 0.52 H new ATOM 0 HB2 PHE A 688 3.443 -24.538 -17.538 1.00 0.75 H new ATOM 0 HB3 PHE A 688 3.084 -22.932 -16.935 1.00 0.75 H new ATOM 0 HD1 PHE A 688 0.894 -25.835 -17.934 1.00 0.97 H new ATOM 0 HD2 PHE A 688 2.035 -23.073 -14.849 1.00 0.90 H new ATOM 0 HE1 PHE A 688 -0.844 -26.782 -16.442 1.00 1.31 H new ATOM 0 HE2 PHE A 688 0.296 -24.020 -13.356 1.00 1.02 H new ATOM 0 HZ PHE A 688 -1.145 -25.875 -14.154 1.00 1.14 H new ATOM 1867 N VAL A 689 1.574 -21.456 -20.054 1.00 0.29 N ATOM 1868 CA VAL A 689 1.779 -20.032 -20.444 1.00 0.27 C ATOM 1869 C VAL A 689 0.665 -19.148 -19.884 1.00 0.26 C ATOM 1870 O VAL A 689 -0.501 -19.482 -19.956 1.00 0.31 O ATOM 1871 CB VAL A 689 1.726 -20.030 -21.975 1.00 0.41 C ATOM 1872 CG1 VAL A 689 2.027 -18.623 -22.493 1.00 1.39 C ATOM 1873 CG2 VAL A 689 2.766 -21.002 -22.534 1.00 1.30 C ATOM 0 H VAL A 689 0.874 -21.958 -20.600 1.00 0.29 H new ATOM 0 HA VAL A 689 2.719 -19.640 -20.056 1.00 0.27 H new ATOM 0 HB VAL A 689 0.732 -20.339 -22.297 1.00 0.41 H new ATOM 0 HG11 VAL A 689 1.990 -18.621 -23.582 1.00 1.39 H new ATOM 0 HG12 VAL A 689 1.286 -17.925 -22.103 1.00 1.39 H new ATOM 0 HG13 VAL A 689 3.020 -18.319 -22.163 1.00 1.39 H new ATOM 0 HG21 VAL A 689 2.722 -20.995 -23.623 1.00 1.30 H new ATOM 0 HG22 VAL A 689 3.761 -20.697 -22.209 1.00 1.30 H new ATOM 0 HG23 VAL A 689 2.557 -22.008 -22.169 1.00 1.30 H new ATOM 1883 N ILE A 690 1.017 -18.011 -19.349 1.00 0.28 N ATOM 1884 CA ILE A 690 -0.019 -17.084 -18.810 1.00 0.27 C ATOM 1885 C ILE A 690 0.029 -15.779 -19.604 1.00 0.25 C ATOM 1886 O ILE A 690 0.988 -15.508 -20.300 1.00 0.27 O ATOM 1887 CB ILE A 690 0.352 -16.837 -17.345 1.00 0.34 C ATOM 1888 CG1 ILE A 690 0.456 -18.178 -16.609 1.00 0.52 C ATOM 1889 CG2 ILE A 690 -0.730 -15.972 -16.682 1.00 0.37 C ATOM 1890 CD1 ILE A 690 -0.893 -18.902 -16.655 1.00 0.81 C ATOM 0 H ILE A 690 1.979 -17.683 -19.262 1.00 0.28 H new ATOM 0 HA ILE A 690 -1.026 -17.493 -18.889 1.00 0.27 H new ATOM 0 HB ILE A 690 1.311 -16.321 -17.296 1.00 0.34 H new ATOM 0 HG12 ILE A 690 1.227 -18.797 -17.069 1.00 0.52 H new ATOM 0 HG13 ILE A 690 0.755 -18.013 -15.574 1.00 0.52 H new ATOM 0 HG21 ILE A 690 -0.467 -15.796 -15.639 1.00 0.37 H new ATOM 0 HG22 ILE A 690 -0.803 -15.018 -17.204 1.00 0.37 H new ATOM 0 HG23 ILE A 690 -1.689 -16.488 -16.732 1.00 0.37 H new ATOM 0 HD11 ILE A 690 -0.813 -19.854 -16.131 1.00 0.81 H new ATOM 0 HD12 ILE A 690 -1.653 -18.286 -16.175 1.00 0.81 H new ATOM 0 HD13 ILE A 690 -1.174 -19.082 -17.693 1.00 0.81 H new ATOM 1902 N GLY A 691 -0.991 -14.974 -19.523 1.00 0.24 N ATOM 1903 CA GLY A 691 -0.982 -13.699 -20.292 1.00 0.25 C ATOM 1904 C GLY A 691 -2.190 -12.851 -19.907 1.00 0.21 C ATOM 1905 O GLY A 691 -3.320 -13.290 -19.987 1.00 0.22 O ATOM 0 H GLY A 691 -1.826 -15.141 -18.962 1.00 0.24 H new ATOM 0 HA2 GLY A 691 -0.062 -13.150 -20.091 1.00 0.25 H new ATOM 0 HA3 GLY A 691 -1.000 -13.909 -21.361 1.00 0.25 H new ATOM 1909 N PHE A 692 -1.957 -11.634 -19.502 1.00 0.20 N ATOM 1910 CA PHE A 692 -3.088 -10.745 -19.121 1.00 0.19 C ATOM 1911 C PHE A 692 -3.077 -9.502 -20.003 1.00 0.22 C ATOM 1912 O PHE A 692 -2.042 -8.929 -20.249 1.00 0.25 O ATOM 1913 CB PHE A 692 -2.802 -10.346 -17.675 1.00 0.21 C ATOM 1914 CG PHE A 692 -3.458 -11.320 -16.740 1.00 0.19 C ATOM 1915 CD1 PHE A 692 -3.015 -12.645 -16.685 1.00 0.23 C ATOM 1916 CD2 PHE A 692 -4.510 -10.896 -15.922 1.00 0.22 C ATOM 1917 CE1 PHE A 692 -3.625 -13.548 -15.811 1.00 0.25 C ATOM 1918 CE2 PHE A 692 -5.119 -11.799 -15.048 1.00 0.22 C ATOM 1919 CZ PHE A 692 -4.676 -13.123 -14.993 1.00 0.24 C ATOM 0 H PHE A 692 -1.030 -11.216 -19.418 1.00 0.20 H new ATOM 0 HA PHE A 692 -4.057 -11.232 -19.235 1.00 0.19 H new ATOM 0 HB2 PHE A 692 -1.726 -10.327 -17.499 1.00 0.21 H new ATOM 0 HB3 PHE A 692 -3.174 -9.339 -17.486 1.00 0.21 H new ATOM 0 HD1 PHE A 692 -2.202 -12.970 -17.318 1.00 0.23 H new ATOM 0 HD2 PHE A 692 -4.851 -9.872 -15.966 1.00 0.22 H new ATOM 0 HE1 PHE A 692 -3.285 -14.572 -15.767 1.00 0.25 H new ATOM 0 HE2 PHE A 692 -5.932 -11.474 -14.415 1.00 0.22 H new ATOM 0 HZ PHE A 692 -5.147 -13.820 -14.316 1.00 0.24 H new ATOM 1929 N LYS A 693 -4.213 -9.067 -20.465 1.00 0.22 N ATOM 1930 CA LYS A 693 -4.238 -7.849 -21.320 1.00 0.26 C ATOM 1931 C LYS A 693 -4.670 -6.640 -20.495 1.00 0.22 C ATOM 1932 O LYS A 693 -5.798 -6.553 -20.048 1.00 0.20 O ATOM 1933 CB LYS A 693 -5.266 -8.152 -22.412 1.00 0.32 C ATOM 1934 CG LYS A 693 -5.249 -7.030 -23.456 1.00 0.43 C ATOM 1935 CD LYS A 693 -4.438 -7.475 -24.674 1.00 1.11 C ATOM 1936 CE LYS A 693 -4.200 -6.277 -25.599 1.00 1.24 C ATOM 1937 NZ LYS A 693 -5.086 -6.514 -26.773 1.00 2.24 N ATOM 0 H LYS A 693 -5.121 -9.498 -20.290 1.00 0.22 H new ATOM 0 HA LYS A 693 -3.259 -7.615 -21.739 1.00 0.26 H new ATOM 0 HB2 LYS A 693 -5.039 -9.107 -22.885 1.00 0.32 H new ATOM 0 HB3 LYS A 693 -6.261 -8.242 -21.975 1.00 0.32 H new ATOM 0 HG2 LYS A 693 -6.267 -6.782 -23.755 1.00 0.43 H new ATOM 0 HG3 LYS A 693 -4.814 -6.127 -23.027 1.00 0.43 H new ATOM 0 HD2 LYS A 693 -3.485 -7.896 -24.355 1.00 1.11 H new ATOM 0 HD3 LYS A 693 -4.970 -8.261 -25.210 1.00 1.11 H new ATOM 0 HE2 LYS A 693 -4.447 -5.339 -25.101 1.00 1.24 H new ATOM 0 HE3 LYS A 693 -3.154 -6.213 -25.900 1.00 1.24 H new ATOM 0 HZ1 LYS A 693 -4.978 -5.734 -27.452 1.00 2.24 H new ATOM 0 HZ2 LYS A 693 -4.823 -7.410 -27.231 1.00 2.24 H new ATOM 0 HZ3 LYS A 693 -6.075 -6.564 -26.457 1.00 2.24 H new ATOM 1951 N VAL A 694 -3.788 -5.699 -20.300 1.00 0.24 N ATOM 1952 CA VAL A 694 -4.155 -4.490 -19.516 1.00 0.21 C ATOM 1953 C VAL A 694 -4.813 -3.476 -20.450 1.00 0.21 C ATOM 1954 O VAL A 694 -4.192 -2.965 -21.363 1.00 0.21 O ATOM 1955 CB VAL A 694 -2.831 -3.966 -18.929 1.00 0.23 C ATOM 1956 CG1 VAL A 694 -2.658 -2.468 -19.211 1.00 0.24 C ATOM 1957 CG2 VAL A 694 -2.839 -4.185 -17.416 1.00 0.28 C ATOM 0 H VAL A 694 -2.830 -5.716 -20.650 1.00 0.24 H new ATOM 0 HA VAL A 694 -4.868 -4.691 -18.717 1.00 0.21 H new ATOM 0 HB VAL A 694 -2.007 -4.506 -19.394 1.00 0.23 H new ATOM 0 HG11 VAL A 694 -1.715 -2.124 -18.786 1.00 0.24 H new ATOM 0 HG12 VAL A 694 -2.653 -2.299 -20.288 1.00 0.24 H new ATOM 0 HG13 VAL A 694 -3.482 -1.915 -18.760 1.00 0.24 H new ATOM 0 HG21 VAL A 694 -1.905 -3.817 -16.990 1.00 0.28 H new ATOM 0 HG22 VAL A 694 -3.677 -3.645 -16.975 1.00 0.28 H new ATOM 0 HG23 VAL A 694 -2.941 -5.249 -17.203 1.00 0.28 H new ATOM 1967 N GLU A 695 -6.066 -3.192 -20.229 1.00 0.24 N ATOM 1968 CA GLU A 695 -6.776 -2.219 -21.101 1.00 0.26 C ATOM 1969 C GLU A 695 -7.335 -1.075 -20.257 1.00 0.26 C ATOM 1970 O GLU A 695 -8.337 -1.222 -19.584 1.00 0.27 O ATOM 1971 CB GLU A 695 -7.916 -3.016 -21.740 1.00 0.28 C ATOM 1972 CG GLU A 695 -7.596 -3.276 -23.212 1.00 0.58 C ATOM 1973 CD GLU A 695 -7.830 -1.998 -24.019 1.00 0.91 C ATOM 1974 OE1 GLU A 695 -8.973 -1.584 -24.117 1.00 1.66 O ATOM 1975 OE2 GLU A 695 -6.862 -1.454 -24.526 1.00 1.56 O ATOM 0 H GLU A 695 -6.629 -3.594 -19.480 1.00 0.24 H new ATOM 0 HA GLU A 695 -6.119 -1.777 -21.850 1.00 0.26 H new ATOM 0 HB2 GLU A 695 -8.052 -3.961 -21.214 1.00 0.28 H new ATOM 0 HB3 GLU A 695 -8.852 -2.465 -21.653 1.00 0.28 H new ATOM 0 HG2 GLU A 695 -6.561 -3.601 -23.318 1.00 0.58 H new ATOM 0 HG3 GLU A 695 -8.224 -4.081 -23.595 1.00 0.58 H new ATOM 1982 N ILE A 696 -6.704 0.064 -20.295 1.00 0.28 N ATOM 1983 CA ILE A 696 -7.212 1.218 -19.504 1.00 0.30 C ATOM 1984 C ILE A 696 -8.411 1.826 -20.222 1.00 0.32 C ATOM 1985 O ILE A 696 -8.266 2.530 -21.203 1.00 0.35 O ATOM 1986 CB ILE A 696 -6.052 2.212 -19.452 1.00 0.32 C ATOM 1987 CG1 ILE A 696 -4.840 1.550 -18.793 1.00 0.32 C ATOM 1988 CG2 ILE A 696 -6.465 3.439 -18.637 1.00 0.37 C ATOM 1989 CD1 ILE A 696 -3.598 2.401 -19.047 1.00 0.36 C ATOM 0 H ILE A 696 -5.860 0.246 -20.838 1.00 0.28 H new ATOM 0 HA ILE A 696 -7.536 0.935 -18.503 1.00 0.30 H new ATOM 0 HB ILE A 696 -5.794 2.518 -20.466 1.00 0.32 H new ATOM 0 HG12 ILE A 696 -5.008 1.443 -17.721 1.00 0.32 H new ATOM 0 HG13 ILE A 696 -4.696 0.547 -19.195 1.00 0.32 H new ATOM 0 HG21 ILE A 696 -5.637 4.147 -18.601 1.00 0.37 H new ATOM 0 HG22 ILE A 696 -7.328 3.913 -19.105 1.00 0.37 H new ATOM 0 HG23 ILE A 696 -6.725 3.132 -17.624 1.00 0.37 H new ATOM 0 HD11 ILE A 696 -2.733 1.931 -18.578 1.00 0.36 H new ATOM 0 HD12 ILE A 696 -3.428 2.485 -20.120 1.00 0.36 H new ATOM 0 HD13 ILE A 696 -3.745 3.395 -18.624 1.00 0.36 H new ATOM 2001 N ASN A 697 -9.594 1.569 -19.741 1.00 0.33 N ATOM 2002 CA ASN A 697 -10.797 2.144 -20.400 1.00 0.38 C ATOM 2003 C ASN A 697 -10.932 3.603 -19.988 1.00 0.36 C ATOM 2004 O ASN A 697 -11.198 4.472 -20.796 1.00 0.38 O ATOM 2005 CB ASN A 697 -11.976 1.320 -19.877 1.00 0.43 C ATOM 2006 CG ASN A 697 -12.369 0.272 -20.919 1.00 0.57 C ATOM 2007 OD1 ASN A 697 -13.536 0.089 -21.203 1.00 1.14 O ATOM 2008 ND2 ASN A 697 -11.438 -0.431 -21.504 1.00 0.48 N ATOM 0 H ASN A 697 -9.779 0.988 -18.923 1.00 0.33 H new ATOM 0 HA ASN A 697 -10.745 2.109 -21.488 1.00 0.38 H new ATOM 0 HB2 ASN A 697 -11.706 0.833 -18.940 1.00 0.43 H new ATOM 0 HB3 ASN A 697 -12.823 1.972 -19.664 1.00 0.43 H new ATOM 0 HD21 ASN A 697 -11.690 -1.133 -22.199 1.00 0.48 H new ATOM 0 HD22 ASN A 697 -10.458 -0.278 -21.266 1.00 0.48 H new ATOM 2015 N ASP A 698 -10.736 3.873 -18.731 1.00 0.34 N ATOM 2016 CA ASP A 698 -10.832 5.270 -18.240 1.00 0.34 C ATOM 2017 C ASP A 698 -9.471 5.783 -17.824 1.00 0.33 C ATOM 2018 O ASP A 698 -8.688 5.084 -17.218 1.00 0.34 O ATOM 2019 CB ASP A 698 -11.757 5.220 -17.040 1.00 0.38 C ATOM 2020 CG ASP A 698 -13.037 4.451 -17.385 1.00 0.44 C ATOM 2021 OD1 ASP A 698 -13.260 4.196 -18.560 1.00 1.11 O ATOM 2022 OD2 ASP A 698 -13.777 4.138 -16.470 1.00 1.19 O ATOM 0 H ASP A 698 -10.512 3.179 -18.018 1.00 0.34 H new ATOM 0 HA ASP A 698 -11.205 5.939 -19.015 1.00 0.34 H new ATOM 0 HB2 ASP A 698 -11.251 4.740 -16.202 1.00 0.38 H new ATOM 0 HB3 ASP A 698 -12.007 6.232 -16.723 1.00 0.38 H new ATOM 2027 N THR A 699 -9.207 7.017 -18.100 1.00 0.34 N ATOM 2028 CA THR A 699 -7.927 7.608 -17.670 1.00 0.38 C ATOM 2029 C THR A 699 -8.253 8.701 -16.662 1.00 0.44 C ATOM 2030 O THR A 699 -8.576 9.819 -17.011 1.00 0.48 O ATOM 2031 CB THR A 699 -7.279 8.183 -18.937 1.00 0.41 C ATOM 2032 OG1 THR A 699 -7.995 9.336 -19.355 1.00 0.52 O ATOM 2033 CG2 THR A 699 -7.299 7.134 -20.054 1.00 0.36 C ATOM 0 H THR A 699 -9.828 7.646 -18.609 1.00 0.34 H new ATOM 0 HA THR A 699 -7.247 6.896 -17.202 1.00 0.38 H new ATOM 0 HB THR A 699 -6.246 8.455 -18.720 1.00 0.41 H new ATOM 0 HG1 THR A 699 -7.967 10.013 -18.647 1.00 0.52 H new ATOM 0 HG21 THR A 699 -6.838 7.548 -20.950 1.00 0.36 H new ATOM 0 HG22 THR A 699 -6.744 6.252 -19.735 1.00 0.36 H new ATOM 0 HG23 THR A 699 -8.330 6.855 -20.272 1.00 0.36 H new ATOM 2041 N THR A 700 -8.188 8.368 -15.416 1.00 0.48 N ATOM 2042 CA THR A 700 -8.514 9.365 -14.351 1.00 0.57 C ATOM 2043 C THR A 700 -7.387 9.458 -13.321 1.00 0.75 C ATOM 2044 O THR A 700 -6.896 8.460 -12.830 1.00 1.44 O ATOM 2045 CB THR A 700 -9.788 8.835 -13.696 1.00 0.79 C ATOM 2046 OG1 THR A 700 -10.698 8.414 -14.704 1.00 1.55 O ATOM 2047 CG2 THR A 700 -10.430 9.940 -12.856 1.00 1.60 C ATOM 0 H THR A 700 -7.922 7.444 -15.076 1.00 0.48 H new ATOM 0 HA THR A 700 -8.641 10.367 -14.761 1.00 0.57 H new ATOM 0 HB THR A 700 -9.541 7.990 -13.053 1.00 0.79 H new ATOM 0 HG1 THR A 700 -11.337 7.776 -14.322 1.00 1.55 H new ATOM 0 HG21 THR A 700 -11.339 9.561 -12.389 1.00 1.60 H new ATOM 0 HG22 THR A 700 -9.732 10.261 -12.083 1.00 1.60 H new ATOM 0 HG23 THR A 700 -10.677 10.787 -13.496 1.00 1.60 H new ATOM 2055 N GLY A 701 -6.983 10.656 -12.985 1.00 0.74 N ATOM 2056 CA GLY A 701 -5.893 10.838 -11.980 1.00 1.06 C ATOM 2057 C GLY A 701 -4.690 9.968 -12.345 1.00 0.96 C ATOM 2058 O GLY A 701 -3.912 9.584 -11.493 1.00 1.31 O ATOM 0 H GLY A 701 -7.364 11.522 -13.366 1.00 0.74 H new ATOM 0 HA2 GLY A 701 -5.595 11.886 -11.941 1.00 1.06 H new ATOM 0 HA3 GLY A 701 -6.256 10.572 -10.987 1.00 1.06 H new ATOM 2062 N LEU A 702 -4.530 9.651 -13.602 1.00 0.62 N ATOM 2063 CA LEU A 702 -3.379 8.806 -14.015 1.00 0.54 C ATOM 2064 C LEU A 702 -2.285 9.672 -14.643 1.00 0.56 C ATOM 2065 O LEU A 702 -2.551 10.529 -15.464 1.00 0.59 O ATOM 2066 CB LEU A 702 -3.953 7.833 -15.043 1.00 0.44 C ATOM 2067 CG LEU A 702 -3.419 6.429 -14.768 1.00 0.70 C ATOM 2068 CD1 LEU A 702 -4.232 5.784 -13.644 1.00 1.15 C ATOM 2069 CD2 LEU A 702 -3.545 5.587 -16.036 1.00 1.22 C ATOM 0 H LEU A 702 -5.148 9.942 -14.359 1.00 0.62 H new ATOM 0 HA LEU A 702 -2.924 8.286 -13.172 1.00 0.54 H new ATOM 0 HB2 LEU A 702 -5.042 7.836 -14.994 1.00 0.44 H new ATOM 0 HB3 LEU A 702 -3.679 8.147 -16.050 1.00 0.44 H new ATOM 0 HG LEU A 702 -2.373 6.487 -14.469 1.00 0.70 H new ATOM 0 HD11 LEU A 702 -3.851 4.782 -13.448 1.00 1.15 H new ATOM 0 HD12 LEU A 702 -4.147 6.388 -12.741 1.00 1.15 H new ATOM 0 HD13 LEU A 702 -5.279 5.722 -13.941 1.00 1.15 H new ATOM 0 HD21 LEU A 702 -3.165 4.583 -15.845 1.00 1.22 H new ATOM 0 HD22 LEU A 702 -4.593 5.529 -16.331 1.00 1.22 H new ATOM 0 HD23 LEU A 702 -2.967 6.047 -16.837 1.00 1.22 H new ATOM 2081 N PHE A 703 -1.057 9.445 -14.264 1.00 0.61 N ATOM 2082 CA PHE A 703 0.077 10.240 -14.830 1.00 0.70 C ATOM 2083 C PHE A 703 -0.001 10.280 -16.363 1.00 0.63 C ATOM 2084 O PHE A 703 0.535 11.163 -17.002 1.00 0.76 O ATOM 2085 CB PHE A 703 1.334 9.480 -14.380 1.00 0.75 C ATOM 2086 CG PHE A 703 1.557 8.308 -15.308 1.00 0.60 C ATOM 2087 CD1 PHE A 703 0.618 7.272 -15.357 1.00 0.58 C ATOM 2088 CD2 PHE A 703 2.676 8.282 -16.145 1.00 0.63 C ATOM 2089 CE1 PHE A 703 0.795 6.210 -16.251 1.00 0.61 C ATOM 2090 CE2 PHE A 703 2.861 7.213 -17.033 1.00 0.55 C ATOM 2091 CZ PHE A 703 1.916 6.178 -17.088 1.00 0.53 C ATOM 0 H PHE A 703 -0.786 8.738 -13.581 1.00 0.61 H new ATOM 0 HA PHE A 703 0.067 11.276 -14.491 1.00 0.70 H new ATOM 0 HB2 PHE A 703 2.200 10.142 -14.394 1.00 0.75 H new ATOM 0 HB3 PHE A 703 1.216 9.131 -13.354 1.00 0.75 H new ATOM 0 HD1 PHE A 703 -0.243 7.292 -14.705 1.00 0.58 H new ATOM 0 HD2 PHE A 703 3.398 9.085 -16.108 1.00 0.63 H new ATOM 0 HE1 PHE A 703 0.066 5.414 -16.295 1.00 0.61 H new ATOM 0 HE2 PHE A 703 3.730 7.186 -17.674 1.00 0.55 H new ATOM 0 HZ PHE A 703 2.053 5.357 -17.776 1.00 0.53 H new ATOM 2101 N ASN A 704 -0.645 9.306 -16.950 1.00 0.47 N ATOM 2102 CA ASN A 704 -0.744 9.249 -18.433 1.00 0.50 C ATOM 2103 C ASN A 704 -1.757 8.168 -18.825 1.00 0.52 C ATOM 2104 O ASN A 704 -2.037 7.268 -18.058 1.00 0.67 O ATOM 2105 CB ASN A 704 0.686 8.889 -18.873 1.00 0.45 C ATOM 2106 CG ASN A 704 0.694 8.094 -20.168 1.00 0.61 C ATOM 2107 OD1 ASN A 704 0.083 8.485 -21.140 1.00 0.99 O ATOM 2108 ND2 ASN A 704 1.380 6.988 -20.228 1.00 0.49 N ATOM 0 H ASN A 704 -1.110 8.542 -16.459 1.00 0.47 H new ATOM 0 HA ASN A 704 -1.087 10.172 -18.900 1.00 0.50 H new ATOM 0 HB2 ASN A 704 1.267 9.802 -19.003 1.00 0.45 H new ATOM 0 HB3 ASN A 704 1.173 8.310 -18.088 1.00 0.45 H new ATOM 0 HD21 ASN A 704 1.404 6.449 -21.094 1.00 0.49 H new ATOM 0 HD22 ASN A 704 1.893 6.661 -19.409 1.00 0.49 H new ATOM 2248 N ARG A 714 10.596 0.831 -19.983 1.00 0.74 N ATOM 2249 CA ARG A 714 10.212 -0.454 -19.324 1.00 0.73 C ATOM 2250 C ARG A 714 11.358 -1.021 -18.476 1.00 0.55 C ATOM 2251 O ARG A 714 12.098 -1.881 -18.911 1.00 0.55 O ATOM 2252 CB ARG A 714 9.874 -1.395 -20.480 1.00 0.90 C ATOM 2253 CG ARG A 714 8.507 -1.018 -21.059 1.00 0.69 C ATOM 2254 CD ARG A 714 7.420 -1.225 -19.996 1.00 0.56 C ATOM 2255 NE ARG A 714 6.636 -2.398 -20.473 1.00 0.73 N ATOM 2256 CZ ARG A 714 5.438 -2.228 -20.961 1.00 0.98 C ATOM 2257 NH1 ARG A 714 4.487 -1.758 -20.202 1.00 1.10 N ATOM 2258 NH2 ARG A 714 5.192 -2.527 -22.207 1.00 1.38 N ATOM 0 HA ARG A 714 9.377 -0.320 -18.636 1.00 0.73 H new ATOM 0 HB2 ARG A 714 10.640 -1.329 -21.253 1.00 0.90 H new ATOM 0 HB3 ARG A 714 9.861 -2.428 -20.131 1.00 0.90 H new ATOM 0 HG2 ARG A 714 8.515 0.021 -21.388 1.00 0.69 H new ATOM 0 HG3 ARG A 714 8.292 -1.628 -21.936 1.00 0.69 H new ATOM 0 HD2 ARG A 714 7.857 -1.414 -19.016 1.00 0.56 H new ATOM 0 HD3 ARG A 714 6.789 -0.341 -19.899 1.00 0.56 H new ATOM 0 HE ARG A 714 7.036 -3.335 -20.418 1.00 0.73 H new ATOM 0 HH11 ARG A 714 4.680 -1.524 -19.228 1.00 1.10 H new ATOM 0 HH12 ARG A 714 3.550 -1.625 -20.582 1.00 1.10 H new ATOM 0 HH21 ARG A 714 5.936 -2.894 -22.800 1.00 1.38 H new ATOM 0 HH22 ARG A 714 4.255 -2.394 -22.588 1.00 1.38 H new ATOM 2272 N VAL A 715 11.495 -0.550 -17.267 1.00 0.49 N ATOM 2273 CA VAL A 715 12.578 -1.066 -16.379 1.00 0.39 C ATOM 2274 C VAL A 715 11.959 -1.855 -15.223 1.00 0.36 C ATOM 2275 O VAL A 715 10.831 -1.615 -14.836 1.00 0.42 O ATOM 2276 CB VAL A 715 13.302 0.179 -15.860 1.00 0.49 C ATOM 2277 CG1 VAL A 715 13.919 0.938 -17.036 1.00 0.55 C ATOM 2278 CG2 VAL A 715 12.309 1.091 -15.131 1.00 0.63 C ATOM 0 H VAL A 715 10.903 0.171 -16.854 1.00 0.49 H new ATOM 0 HA VAL A 715 13.262 -1.736 -16.899 1.00 0.39 H new ATOM 0 HB VAL A 715 14.087 -0.125 -15.168 1.00 0.49 H new ATOM 0 HG11 VAL A 715 14.435 1.825 -16.667 1.00 0.55 H new ATOM 0 HG12 VAL A 715 14.630 0.293 -17.552 1.00 0.55 H new ATOM 0 HG13 VAL A 715 13.132 1.238 -17.728 1.00 0.55 H new ATOM 0 HG21 VAL A 715 12.829 1.975 -14.764 1.00 0.63 H new ATOM 0 HG22 VAL A 715 11.520 1.394 -15.820 1.00 0.63 H new ATOM 0 HG23 VAL A 715 11.870 0.553 -14.291 1.00 0.63 H new ATOM 2288 N VAL A 716 12.676 -2.797 -14.671 1.00 0.32 N ATOM 2289 CA VAL A 716 12.106 -3.593 -13.546 1.00 0.30 C ATOM 2290 C VAL A 716 12.560 -3.023 -12.199 1.00 0.28 C ATOM 2291 O VAL A 716 13.724 -2.740 -11.994 1.00 0.33 O ATOM 2292 CB VAL A 716 12.641 -5.014 -13.727 1.00 0.34 C ATOM 2293 CG1 VAL A 716 12.044 -5.920 -12.647 1.00 0.59 C ATOM 2294 CG2 VAL A 716 12.244 -5.545 -15.106 1.00 0.54 C ATOM 0 H VAL A 716 13.625 -3.048 -14.948 1.00 0.32 H new ATOM 0 HA VAL A 716 11.016 -3.568 -13.553 1.00 0.30 H new ATOM 0 HB VAL A 716 13.728 -5.004 -13.643 1.00 0.34 H new ATOM 0 HG11 VAL A 716 12.423 -6.934 -12.773 1.00 0.59 H new ATOM 0 HG12 VAL A 716 12.326 -5.547 -11.662 1.00 0.59 H new ATOM 0 HG13 VAL A 716 10.958 -5.925 -12.736 1.00 0.59 H new ATOM 0 HG21 VAL A 716 12.628 -6.558 -15.230 1.00 0.54 H new ATOM 0 HG22 VAL A 716 11.158 -5.555 -15.193 1.00 0.54 H new ATOM 0 HG23 VAL A 716 12.664 -4.901 -15.879 1.00 0.54 H new ATOM 2304 N LEU A 717 11.647 -2.861 -11.280 1.00 0.27 N ATOM 2305 CA LEU A 717 12.015 -2.320 -9.942 1.00 0.27 C ATOM 2306 C LEU A 717 11.912 -3.424 -8.886 1.00 0.26 C ATOM 2307 O LEU A 717 11.294 -4.446 -9.105 1.00 0.32 O ATOM 2308 CB LEU A 717 10.994 -1.215 -9.665 1.00 0.33 C ATOM 2309 CG LEU A 717 11.202 -0.066 -10.654 1.00 0.45 C ATOM 2310 CD1 LEU A 717 10.261 -0.242 -11.848 1.00 0.82 C ATOM 2311 CD2 LEU A 717 10.899 1.264 -9.960 1.00 0.74 C ATOM 0 H LEU A 717 10.658 -3.081 -11.400 1.00 0.27 H new ATOM 0 HA LEU A 717 13.037 -1.943 -9.913 1.00 0.27 H new ATOM 0 HB2 LEU A 717 9.982 -1.609 -9.757 1.00 0.33 H new ATOM 0 HB3 LEU A 717 11.103 -0.853 -8.643 1.00 0.33 H new ATOM 0 HG LEU A 717 12.235 -0.069 -11.002 1.00 0.45 H new ATOM 0 HD11 LEU A 717 10.410 0.577 -12.552 1.00 0.82 H new ATOM 0 HD12 LEU A 717 10.474 -1.189 -12.343 1.00 0.82 H new ATOM 0 HD13 LEU A 717 9.228 -0.239 -11.501 1.00 0.82 H new ATOM 0 HD21 LEU A 717 11.047 2.083 -10.663 1.00 0.74 H new ATOM 0 HD22 LEU A 717 9.866 1.266 -9.612 1.00 0.74 H new ATOM 0 HD23 LEU A 717 11.568 1.391 -9.109 1.00 0.74 H new ATOM 2323 N LYS A 718 12.517 -3.232 -7.745 1.00 0.27 N ATOM 2324 CA LYS A 718 12.453 -4.272 -6.678 1.00 0.29 C ATOM 2325 C LYS A 718 11.385 -3.900 -5.646 1.00 0.30 C ATOM 2326 O LYS A 718 11.127 -2.739 -5.400 1.00 0.32 O ATOM 2327 CB LYS A 718 13.843 -4.270 -6.038 1.00 0.30 C ATOM 2328 CG LYS A 718 14.229 -5.699 -5.653 1.00 0.42 C ATOM 2329 CD LYS A 718 15.750 -5.852 -5.721 1.00 1.26 C ATOM 2330 CE LYS A 718 16.382 -5.230 -4.474 1.00 1.63 C ATOM 2331 NZ LYS A 718 17.498 -6.147 -4.110 1.00 2.43 N ATOM 0 H LYS A 718 13.054 -2.398 -7.505 1.00 0.27 H new ATOM 0 HA LYS A 718 12.189 -5.254 -7.071 1.00 0.29 H new ATOM 0 HB2 LYS A 718 14.575 -3.859 -6.734 1.00 0.30 H new ATOM 0 HB3 LYS A 718 13.848 -3.630 -5.155 1.00 0.30 H new ATOM 0 HG2 LYS A 718 13.875 -5.924 -4.647 1.00 0.42 H new ATOM 0 HG3 LYS A 718 13.751 -6.410 -6.326 1.00 0.42 H new ATOM 0 HD2 LYS A 718 16.017 -6.906 -5.790 1.00 1.26 H new ATOM 0 HD3 LYS A 718 16.135 -5.366 -6.618 1.00 1.26 H new ATOM 0 HE2 LYS A 718 16.748 -4.224 -4.677 1.00 1.63 H new ATOM 0 HE3 LYS A 718 15.658 -5.148 -3.663 1.00 1.63 H new ATOM 0 HZ1 LYS A 718 17.981 -5.787 -3.262 1.00 2.43 H new ATOM 0 HZ2 LYS A 718 17.119 -7.096 -3.916 1.00 2.43 H new ATOM 0 HZ3 LYS A 718 18.175 -6.200 -4.898 1.00 2.43 H new ATOM 2345 N GLN A 719 10.763 -4.878 -5.042 1.00 0.36 N ATOM 2346 CA GLN A 719 9.711 -4.578 -4.026 1.00 0.41 C ATOM 2347 C GLN A 719 10.357 -4.222 -2.683 1.00 0.38 C ATOM 2348 O GLN A 719 11.430 -4.691 -2.357 1.00 0.42 O ATOM 2349 CB GLN A 719 8.889 -5.866 -3.909 1.00 0.52 C ATOM 2350 CG GLN A 719 9.789 -7.019 -3.450 1.00 1.13 C ATOM 2351 CD GLN A 719 9.355 -7.488 -2.060 1.00 1.38 C ATOM 2352 OE1 GLN A 719 9.110 -6.685 -1.183 1.00 1.82 O ATOM 2353 NE2 GLN A 719 9.248 -8.767 -1.821 1.00 1.98 N ATOM 0 H GLN A 719 10.937 -5.869 -5.208 1.00 0.36 H new ATOM 0 HA GLN A 719 9.091 -3.728 -4.312 1.00 0.41 H new ATOM 0 HB2 GLN A 719 8.074 -5.724 -3.199 1.00 0.52 H new ATOM 0 HB3 GLN A 719 8.436 -6.107 -4.871 1.00 0.52 H new ATOM 0 HG2 GLN A 719 9.729 -7.845 -4.159 1.00 1.13 H new ATOM 0 HG3 GLN A 719 10.829 -6.694 -3.427 1.00 1.13 H new ATOM 0 HE21 GLN A 719 9.454 -9.442 -2.557 1.00 1.98 H new ATOM 0 HE22 GLN A 719 8.959 -9.091 -0.898 1.00 1.98 H new ATOM 2362 N THR A 720 9.710 -3.396 -1.904 1.00 0.41 N ATOM 2363 CA THR A 720 10.284 -3.006 -0.584 1.00 0.44 C ATOM 2364 C THR A 720 9.380 -3.490 0.551 1.00 0.42 C ATOM 2365 O THR A 720 8.387 -4.155 0.326 1.00 0.38 O ATOM 2366 CB THR A 720 10.341 -1.478 -0.611 1.00 0.49 C ATOM 2367 OG1 THR A 720 9.085 -0.967 -1.036 1.00 0.51 O ATOM 2368 CG2 THR A 720 11.432 -1.022 -1.581 1.00 0.55 C ATOM 0 H THR A 720 8.808 -2.974 -2.126 1.00 0.41 H new ATOM 0 HA THR A 720 11.267 -3.447 -0.416 1.00 0.44 H new ATOM 0 HB THR A 720 10.568 -1.106 0.388 1.00 0.49 H new ATOM 0 HG1 THR A 720 9.119 0.012 -1.052 1.00 0.51 H new ATOM 0 HG21 THR A 720 11.471 0.067 -1.599 1.00 0.55 H new ATOM 0 HG22 THR A 720 12.395 -1.414 -1.255 1.00 0.55 H new ATOM 0 HG23 THR A 720 11.208 -1.393 -2.581 1.00 0.55 H new ATOM 2376 N ALA A 721 9.716 -3.161 1.771 1.00 0.48 N ATOM 2377 CA ALA A 721 8.877 -3.601 2.926 1.00 0.49 C ATOM 2378 C ALA A 721 7.420 -3.184 2.709 1.00 0.45 C ATOM 2379 O ALA A 721 6.503 -3.830 3.177 1.00 0.43 O ATOM 2380 CB ALA A 721 9.464 -2.884 4.143 1.00 0.58 C ATOM 0 H ALA A 721 10.536 -2.606 2.018 1.00 0.48 H new ATOM 0 HA ALA A 721 8.884 -4.684 3.051 1.00 0.49 H new ATOM 0 HB1 ALA A 721 8.899 -3.158 5.034 1.00 0.58 H new ATOM 0 HB2 ALA A 721 10.506 -3.177 4.270 1.00 0.58 H new ATOM 0 HB3 ALA A 721 9.406 -1.806 3.993 1.00 0.58 H new ATOM 2386 N GLU A 722 7.202 -2.112 1.994 1.00 0.47 N ATOM 2387 CA GLU A 722 5.805 -1.657 1.738 1.00 0.48 C ATOM 2388 C GLU A 722 5.081 -2.678 0.858 1.00 0.41 C ATOM 2389 O GLU A 722 3.973 -3.084 1.147 1.00 0.40 O ATOM 2390 CB GLU A 722 5.946 -0.321 1.007 1.00 0.57 C ATOM 2391 CG GLU A 722 4.880 0.654 1.512 1.00 1.07 C ATOM 2392 CD GLU A 722 5.370 2.090 1.326 1.00 1.52 C ATOM 2393 OE1 GLU A 722 5.595 2.476 0.192 1.00 1.95 O ATOM 2394 OE2 GLU A 722 5.513 2.781 2.322 1.00 2.33 O ATOM 0 H GLU A 722 7.931 -1.533 1.577 1.00 0.47 H new ATOM 0 HA GLU A 722 5.226 -1.554 2.656 1.00 0.48 H new ATOM 0 HB2 GLU A 722 6.940 0.093 1.173 1.00 0.57 H new ATOM 0 HB3 GLU A 722 5.838 -0.469 -0.067 1.00 0.57 H new ATOM 0 HG2 GLU A 722 3.948 0.504 0.967 1.00 1.07 H new ATOM 0 HG3 GLU A 722 4.669 0.465 2.564 1.00 1.07 H new ATOM 2401 N GLU A 723 5.704 -3.100 -0.211 1.00 0.40 N ATOM 2402 CA GLU A 723 5.058 -4.101 -1.111 1.00 0.39 C ATOM 2403 C GLU A 723 4.858 -5.424 -0.367 1.00 0.34 C ATOM 2404 O GLU A 723 3.786 -6.000 -0.380 1.00 0.35 O ATOM 2405 CB GLU A 723 6.034 -4.282 -2.274 1.00 0.43 C ATOM 2406 CG GLU A 723 6.171 -2.960 -3.035 1.00 0.58 C ATOM 2407 CD GLU A 723 5.020 -2.822 -4.034 1.00 1.24 C ATOM 2408 OE1 GLU A 723 3.952 -3.340 -3.755 1.00 1.82 O ATOM 2409 OE2 GLU A 723 5.227 -2.196 -5.062 1.00 1.95 O ATOM 0 H GLU A 723 6.633 -2.794 -0.500 1.00 0.40 H new ATOM 0 HA GLU A 723 4.076 -3.775 -1.454 1.00 0.39 H new ATOM 0 HB2 GLU A 723 7.007 -4.601 -1.900 1.00 0.43 H new ATOM 0 HB3 GLU A 723 5.677 -5.064 -2.944 1.00 0.43 H new ATOM 0 HG2 GLU A 723 6.162 -2.124 -2.336 1.00 0.58 H new ATOM 0 HG3 GLU A 723 7.126 -2.927 -3.559 1.00 0.58 H new ATOM 2416 N LYS A 724 5.883 -5.906 0.289 1.00 0.36 N ATOM 2417 CA LYS A 724 5.753 -7.189 1.044 1.00 0.40 C ATOM 2418 C LYS A 724 4.549 -7.116 1.987 1.00 0.35 C ATOM 2419 O LYS A 724 3.876 -8.098 2.233 1.00 0.38 O ATOM 2420 CB LYS A 724 7.051 -7.316 1.841 1.00 0.50 C ATOM 2421 CG LYS A 724 7.262 -8.777 2.248 1.00 0.98 C ATOM 2422 CD LYS A 724 8.734 -9.004 2.603 1.00 1.37 C ATOM 2423 CE LYS A 724 8.832 -9.728 3.949 1.00 1.65 C ATOM 2424 NZ LYS A 724 8.998 -11.167 3.600 1.00 2.34 N ATOM 0 H LYS A 724 6.803 -5.467 0.334 1.00 0.36 H new ATOM 0 HA LYS A 724 5.597 -8.045 0.387 1.00 0.40 H new ATOM 0 HB2 LYS A 724 7.893 -6.969 1.242 1.00 0.50 H new ATOM 0 HB3 LYS A 724 7.009 -6.683 2.728 1.00 0.50 H new ATOM 0 HG2 LYS A 724 6.630 -9.022 3.101 1.00 0.98 H new ATOM 0 HG3 LYS A 724 6.968 -9.438 1.433 1.00 0.98 H new ATOM 0 HD2 LYS A 724 9.219 -9.594 1.825 1.00 1.37 H new ATOM 0 HD3 LYS A 724 9.258 -8.049 2.653 1.00 1.37 H new ATOM 0 HE2 LYS A 724 9.677 -9.363 4.533 1.00 1.65 H new ATOM 0 HE3 LYS A 724 7.937 -9.568 4.550 1.00 1.65 H new ATOM 0 HZ1 LYS A 724 9.072 -11.729 4.472 1.00 2.34 H new ATOM 0 HZ2 LYS A 724 8.176 -11.488 3.050 1.00 2.34 H new ATOM 0 HZ3 LYS A 724 9.862 -11.290 3.034 1.00 2.34 H new ATOM 2438 N ASP A 725 4.271 -5.951 2.505 1.00 0.36 N ATOM 2439 CA ASP A 725 3.106 -5.794 3.422 1.00 0.43 C ATOM 2440 C ASP A 725 1.801 -5.977 2.643 1.00 0.47 C ATOM 2441 O ASP A 725 0.836 -6.518 3.148 1.00 0.50 O ATOM 2442 CB ASP A 725 3.212 -4.369 3.965 1.00 0.52 C ATOM 2443 CG ASP A 725 2.744 -4.340 5.420 1.00 0.80 C ATOM 2444 OD1 ASP A 725 1.821 -5.072 5.740 1.00 1.39 O ATOM 2445 OD2 ASP A 725 3.315 -3.586 6.191 1.00 1.60 O ATOM 0 H ASP A 725 4.803 -5.098 2.332 1.00 0.36 H new ATOM 0 HA ASP A 725 3.108 -6.532 4.224 1.00 0.43 H new ATOM 0 HB2 ASP A 725 4.242 -4.018 3.896 1.00 0.52 H new ATOM 0 HB3 ASP A 725 2.604 -3.693 3.363 1.00 0.52 H new ATOM 2450 N LEU A 726 1.765 -5.527 1.415 1.00 0.57 N ATOM 2451 CA LEU A 726 0.517 -5.668 0.600 1.00 0.71 C ATOM 2452 C LEU A 726 0.098 -7.133 0.536 1.00 0.56 C ATOM 2453 O LEU A 726 -1.051 -7.474 0.728 1.00 0.52 O ATOM 2454 CB LEU A 726 0.891 -5.190 -0.809 1.00 1.06 C ATOM 2455 CG LEU A 726 1.489 -3.784 -0.758 1.00 0.57 C ATOM 2456 CD1 LEU A 726 1.709 -3.279 -2.184 1.00 1.10 C ATOM 2457 CD2 LEU A 726 0.530 -2.846 -0.029 1.00 1.04 C ATOM 0 H LEU A 726 2.543 -5.069 0.941 1.00 0.57 H new ATOM 0 HA LEU A 726 -0.308 -5.098 1.028 1.00 0.71 H new ATOM 0 HB2 LEU A 726 1.607 -5.880 -1.255 1.00 1.06 H new ATOM 0 HB3 LEU A 726 0.007 -5.192 -1.447 1.00 1.06 H new ATOM 0 HG LEU A 726 2.440 -3.811 -0.227 1.00 0.57 H new ATOM 0 HD11 LEU A 726 2.135 -2.276 -2.153 1.00 1.10 H new ATOM 0 HD12 LEU A 726 2.393 -3.948 -2.706 1.00 1.10 H new ATOM 0 HD13 LEU A 726 0.756 -3.252 -2.711 1.00 1.10 H new ATOM 0 HD21 LEU A 726 0.958 -1.844 0.007 1.00 1.04 H new ATOM 0 HD22 LEU A 726 -0.422 -2.815 -0.559 1.00 1.04 H new ATOM 0 HD23 LEU A 726 0.369 -3.208 0.986 1.00 1.04 H new ATOM 2469 N VAL A 727 1.030 -7.999 0.267 1.00 0.57 N ATOM 2470 CA VAL A 727 0.698 -9.451 0.185 1.00 0.66 C ATOM 2471 C VAL A 727 0.513 -10.034 1.586 1.00 0.57 C ATOM 2472 O VAL A 727 -0.129 -11.053 1.758 1.00 0.68 O ATOM 2473 CB VAL A 727 1.886 -10.103 -0.531 1.00 0.94 C ATOM 2474 CG1 VAL A 727 3.171 -9.854 0.262 1.00 0.89 C ATOM 2475 CG2 VAL A 727 1.646 -11.610 -0.648 1.00 1.19 C ATOM 0 H VAL A 727 2.009 -7.767 0.100 1.00 0.57 H new ATOM 0 HA VAL A 727 -0.234 -9.628 -0.351 1.00 0.66 H new ATOM 0 HB VAL A 727 1.987 -9.669 -1.526 1.00 0.94 H new ATOM 0 HG11 VAL A 727 4.012 -10.320 -0.252 1.00 0.89 H new ATOM 0 HG12 VAL A 727 3.345 -8.781 0.345 1.00 0.89 H new ATOM 0 HG13 VAL A 727 3.072 -10.283 1.259 1.00 0.89 H new ATOM 0 HG21 VAL A 727 2.490 -12.074 -1.157 1.00 1.19 H new ATOM 0 HG22 VAL A 727 1.542 -12.040 0.348 1.00 1.19 H new ATOM 0 HG23 VAL A 727 0.735 -11.790 -1.218 1.00 1.19 H new ATOM 2485 N LYS A 728 1.051 -9.392 2.593 1.00 0.51 N ATOM 2486 CA LYS A 728 0.875 -9.915 3.981 1.00 0.73 C ATOM 2487 C LYS A 728 -0.617 -10.127 4.244 1.00 0.74 C ATOM 2488 O LYS A 728 -1.032 -11.138 4.778 1.00 0.93 O ATOM 2489 CB LYS A 728 1.439 -8.827 4.897 1.00 0.79 C ATOM 2490 CG LYS A 728 2.268 -9.473 6.009 1.00 1.26 C ATOM 2491 CD LYS A 728 2.435 -8.482 7.162 1.00 1.53 C ATOM 2492 CE LYS A 728 3.456 -9.030 8.163 1.00 2.01 C ATOM 2493 NZ LYS A 728 3.302 -8.177 9.375 1.00 2.55 N ATOM 0 H LYS A 728 1.600 -8.536 2.515 1.00 0.51 H new ATOM 0 HA LYS A 728 1.380 -10.867 4.145 1.00 0.73 H new ATOM 0 HB2 LYS A 728 2.057 -8.138 4.322 1.00 0.79 H new ATOM 0 HB3 LYS A 728 0.626 -8.243 5.328 1.00 0.79 H new ATOM 0 HG2 LYS A 728 1.777 -10.380 6.363 1.00 1.26 H new ATOM 0 HG3 LYS A 728 3.244 -9.768 5.625 1.00 1.26 H new ATOM 0 HD2 LYS A 728 2.766 -7.516 6.780 1.00 1.53 H new ATOM 0 HD3 LYS A 728 1.477 -8.318 7.656 1.00 1.53 H new ATOM 0 HE2 LYS A 728 3.262 -10.078 8.391 1.00 2.01 H new ATOM 0 HE3 LYS A 728 4.469 -8.972 7.765 1.00 2.01 H new ATOM 0 HZ1 LYS A 728 3.970 -8.491 10.108 1.00 2.55 H new ATOM 0 HZ2 LYS A 728 3.499 -7.186 9.129 1.00 2.55 H new ATOM 0 HZ3 LYS A 728 2.330 -8.258 9.735 1.00 2.55 H new ATOM 2507 N LYS A 729 -1.425 -9.187 3.832 1.00 0.61 N ATOM 2508 CA LYS A 729 -2.887 -9.323 4.004 1.00 0.69 C ATOM 2509 C LYS A 729 -3.547 -9.364 2.638 1.00 0.48 C ATOM 2510 O LYS A 729 -3.703 -8.366 1.962 1.00 0.53 O ATOM 2511 CB LYS A 729 -3.384 -8.113 4.770 1.00 0.94 C ATOM 2512 CG LYS A 729 -2.237 -7.421 5.515 1.00 1.07 C ATOM 2513 CD LYS A 729 -2.779 -6.205 6.272 1.00 1.38 C ATOM 2514 CE LYS A 729 -1.704 -5.678 7.225 1.00 2.00 C ATOM 2515 NZ LYS A 729 -2.390 -4.636 8.039 1.00 2.50 N ATOM 0 H LYS A 729 -1.124 -8.324 3.379 1.00 0.61 H new ATOM 0 HA LYS A 729 -3.127 -10.238 4.546 1.00 0.69 H new ATOM 0 HB2 LYS A 729 -3.851 -7.409 4.081 1.00 0.94 H new ATOM 0 HB3 LYS A 729 -4.151 -8.419 5.481 1.00 0.94 H new ATOM 0 HG2 LYS A 729 -1.769 -8.117 6.211 1.00 1.07 H new ATOM 0 HG3 LYS A 729 -1.467 -7.110 4.810 1.00 1.07 H new ATOM 0 HD2 LYS A 729 -3.071 -5.425 5.568 1.00 1.38 H new ATOM 0 HD3 LYS A 729 -3.673 -6.480 6.831 1.00 1.38 H new ATOM 0 HE2 LYS A 729 -1.310 -6.475 7.855 1.00 2.00 H new ATOM 0 HE3 LYS A 729 -0.861 -5.259 6.676 1.00 2.00 H new ATOM 0 HZ1 LYS A 729 -1.717 -4.227 8.718 1.00 2.50 H new ATOM 0 HZ2 LYS A 729 -2.749 -3.887 7.413 1.00 2.50 H new ATOM 0 HZ3 LYS A 729 -3.184 -5.066 8.555 1.00 2.50 H new ATOM 2529 N LEU A 730 -3.927 -10.516 2.248 1.00 0.41 N ATOM 2530 CA LEU A 730 -4.594 -10.709 0.924 1.00 0.32 C ATOM 2531 C LEU A 730 -5.822 -9.801 0.808 1.00 0.48 C ATOM 2532 O LEU A 730 -6.435 -9.798 -0.247 1.00 1.19 O ATOM 2533 CB LEU A 730 -5.016 -12.180 0.901 1.00 0.43 C ATOM 2534 CG LEU A 730 -4.018 -12.992 0.073 1.00 0.38 C ATOM 2535 CD1 LEU A 730 -4.237 -14.483 0.333 1.00 0.46 C ATOM 2536 CD2 LEU A 730 -4.229 -12.704 -1.415 1.00 0.48 C ATOM 2537 OXT LEU A 730 -6.129 -9.125 1.777 1.00 1.25 O ATOM 0 H LEU A 730 -3.810 -11.371 2.792 1.00 0.41 H new ATOM 0 HA LEU A 730 -3.934 -10.459 0.093 1.00 0.32 H new ATOM 0 HB2 LEU A 730 -5.062 -12.571 1.918 1.00 0.43 H new ATOM 0 HB3 LEU A 730 -6.016 -12.275 0.478 1.00 0.43 H new ATOM 0 HG LEU A 730 -3.003 -12.714 0.357 1.00 0.38 H new ATOM 0 HD11 LEU A 730 -3.527 -15.063 -0.256 1.00 0.46 H new ATOM 0 HD12 LEU A 730 -4.087 -14.693 1.392 1.00 0.46 H new ATOM 0 HD13 LEU A 730 -5.253 -14.757 0.049 1.00 0.46 H new ATOM 0 HD21 LEU A 730 -3.517 -13.284 -2.002 1.00 0.48 H new ATOM 0 HD22 LEU A 730 -5.244 -12.981 -1.699 1.00 0.48 H new ATOM 0 HD23 LEU A 730 -4.076 -11.642 -1.605 1.00 0.48 H new